USER MOD reduce.3.24.130724 H: found=0, std=0, add=1668, rem=0, adj=49 USER MOD reduce.3.24.130724 removed 1666 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj : A 66 ASNHD21 : A 66 ASN OD1 : A 198 CACA :(metal ligand) USER MOD NoAdj : A 66 ASNHD22 : A 66 ASN OD1 : A 198 CACA :(metal ligand) USER MOD NoAdj : B 66 ASNHD21 : B 66 ASN OD1 : B 200 CACA :(metal ligand) USER MOD NoAdj : B 66 ASNHD22 : B 66 ASN OD1 : B 200 CACA :(metal ligand) USER MOD Set 1.1: B 61 LYS NZ :NH3+ 145:sc= 1.24 (180deg=-0.0102) USER MOD Set 1.2: B 67 GLN : amide:sc= 0.305 K(o=1.5,f=-9.9!) USER MOD Set 2.1: A 61 LYS NZ :NH3+ 176:sc= 1.13 (180deg=-0.018) USER MOD Set 2.2: A 67 GLN : amide:sc= 0.872 K(o=2,f=-9.9!) USER MOD Set 3.1: A 60 MET CE :methyl 180:sc= -0.0384 (180deg=-0.0384) USER MOD Set 3.2: A 69 SER OG : rot 81:sc= 0.488 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -128:sc= 0.229 (180deg=-0.0697) USER MOD Single : A 7 THR OG1 : rot -137:sc= 0.183 USER MOD Single : A 12 SER OG : rot -31:sc= 1.09 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 97:sc= 1.19 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 1.2 K(o=1.2,f=-2.5!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 43:sc= 0.883 USER MOD Single : A 34 SER OG : rot 63:sc= 1.21 USER MOD Single : A 36 ASN : amide:sc= 1.05 K(o=1,f=-0.16) USER MOD Single : A 39 LYS NZ :NH3+ -179:sc= 1.84 (180deg=1.7) USER MOD Single : A 43 THR OG1 : rot 92:sc= 1.21 USER MOD Single : A 44 GLN : amide:sc= -0.973 X(o=-0.97,f=-0.62) USER MOD Single : A 45 GLN : amide:sc= 1.12 K(o=1.1,f=-5.4!) USER MOD Single : A 48 HIS : no HE2:sc= 0.568 K(o=0.57,f=-2.8!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 24:sc= 1.26 USER MOD Single : A 59 LYS NZ :NH3+ -177:sc= 2.37 (180deg=2.3) USER MOD Single : A 62 SER OG : rot 81:sc= 0.228 USER MOD Single : A 72 LYS NZ :NH3+ -120:sc= 0.707 (180deg=0.507) USER MOD Single : A 74 ASN : amide:sc= -0.183 X(o=-0.18,f=-0.0015) USER MOD Single : A 76 TYR OH : rot 30:sc= -0.0415 USER MOD Single : A 85 LYS NZ :NH3+ 177:sc= 0.792 (180deg=0.656) USER MOD Single : A 89 LYS NZ :NH3+ -136:sc= 1.03 (180deg=-0.541) USER MOD Single : A 90 LYS NZ :NH3+ -179:sc= 1.23 (180deg=1.16) USER MOD Single : A 91 LYS NZ :NH3+ 136:sc= 3.67 (180deg=2.43) USER MOD Single : A 94 LYS NZ :NH3+ 147:sc= 1.18 (180deg=-2.1!) USER MOD Single : A 97 LYS NZ :NH3+ 160:sc= 1.03 (180deg=-1.28!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 146:sc= 1.36 (180deg=0.881) USER MOD Single : B 7 THR OG1 : rot 180:sc= 0.173 USER MOD Single : B 12 SER OG : rot 160:sc= 0 USER MOD Single : B 15 THR OG1 : rot 180:sc= 0 USER MOD Single : B 18 THR OG1 : rot 180:sc= 0 USER MOD Single : B 19 THR OG1 : rot 87:sc= 0.568 USER MOD Single : B 22 THR OG1 : rot -75:sc= 1.11 USER MOD Single : B 26 GLN : amide:sc= 1.62 K(o=1.6,f=-10!) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot 175:sc= 0 USER MOD Single : B 34 SER OG : rot 180:sc= -0.342 USER MOD Single : B 36 ASN : amide:sc= 0.469 K(o=0.47,f=-0.34) USER MOD Single : B 39 LYS NZ :NH3+ -142:sc= 1.28 (180deg=0.463) USER MOD Single : B 43 THR OG1 : rot 87:sc= 1.19 USER MOD Single : B 44 GLN : amide:sc= -0.096 X(o=-0.096,f=0) USER MOD Single : B 45 GLN : amide:sc= 1.22 K(o=1.2,f=-2.2) USER MOD Single : B 48 HIS : no HD1:sc= -0.0328 X(o=-0.033,f=0) USER MOD Single : B 51 LYS NZ :NH3+ 148:sc= -0.651 (180deg=-2.29!) USER MOD Single : B 55 SER OG : rot -114:sc= 1.21 USER MOD Single : B 59 LYS NZ :NH3+ 169:sc= -0.338! (180deg=-0.72!) USER MOD Single : B 60 MET CE :methyl 180:sc= -0.431 (180deg=-0.431) USER MOD Single : B 62 SER OG : rot 180:sc= 0 USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 74 ASN : amide:sc= 0.715 K(o=0.71,f=-1.5) USER MOD Single : B 76 TYR OH : rot 165:sc= 0 USER MOD Single : B 85 LYS NZ :NH3+ -169:sc= 1.12 (180deg=0.864) USER MOD Single : B 89 LYS NZ :NH3+ -153:sc= 3.59 (180deg=2.41) USER MOD Single : B 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 91 LYS NZ :NH3+ -135:sc= 2.23 (180deg=-1.44) USER MOD Single : B 94 LYS NZ :NH3+ 167:sc= 1.1 (180deg=0.467) USER MOD Single : B 97 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00525) USER MOD Single : B 98 LYS NZ :NH3+ -132:sc= 1.11 (180deg=0.66) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.951 -20.438 -23.926 1.00 6.17 N ATOM 2 CA MET A 1 10.281 -19.323 -24.615 1.00 5.58 C ATOM 3 C MET A 1 10.283 -18.154 -23.632 1.00 4.94 C ATOM 4 O MET A 1 11.194 -18.124 -22.809 1.00 5.22 O ATOM 5 CB MET A 1 8.884 -19.714 -25.126 1.00 5.04 C ATOM 6 CG MET A 1 8.922 -20.847 -26.162 1.00 5.89 C ATOM 7 SD MET A 1 7.312 -21.191 -26.918 1.00 5.98 S ATOM 8 CE MET A 1 7.774 -22.481 -28.094 1.00 7.24 C ATOM 0 H1 MET A 1 11.709 -20.814 -24.531 1.00 6.17 H new ATOM 0 H2 MET A 1 11.358 -20.099 -23.031 1.00 6.17 H new ATOM 0 H3 MET A 1 10.260 -21.190 -23.729 1.00 6.17 H new ATOM 0 HA MET A 1 10.808 -19.036 -25.525 1.00 5.58 H new ATOM 0 HB2 MET A 1 8.267 -20.021 -24.282 1.00 5.04 H new ATOM 0 HB3 MET A 1 8.407 -18.840 -25.569 1.00 5.04 H new ATOM 0 HG2 MET A 1 9.634 -20.588 -26.945 1.00 5.89 H new ATOM 0 HG3 MET A 1 9.291 -21.754 -25.683 1.00 5.89 H new ATOM 0 HE1 MET A 1 6.891 -22.805 -28.644 1.00 7.24 H new ATOM 0 HE2 MET A 1 8.513 -22.089 -28.792 1.00 7.24 H new ATOM 0 HE3 MET A 1 8.197 -23.329 -27.556 1.00 7.24 H new ATOM 20 N ALA A 2 9.309 -17.245 -23.695 1.00 4.54 N ATOM 21 CA ALA A 2 9.178 -16.113 -22.788 1.00 4.26 C ATOM 22 C ALA A 2 8.041 -16.361 -21.801 1.00 3.49 C ATOM 23 O ALA A 2 7.324 -17.351 -21.923 1.00 3.45 O ATOM 24 CB ALA A 2 8.942 -14.845 -23.616 1.00 4.88 C ATOM 0 H ALA A 2 8.572 -17.280 -24.399 1.00 4.54 H new ATOM 0 HA ALA A 2 10.091 -15.986 -22.206 1.00 4.26 H new ATOM 0 HB1 ALA A 2 8.842 -13.988 -22.949 1.00 4.88 H new ATOM 0 HB2 ALA A 2 9.786 -14.686 -24.287 1.00 4.88 H new ATOM 0 HB3 ALA A 2 8.030 -14.957 -24.202 1.00 4.88 H new ATOM 30 N ALA A 3 7.915 -15.434 -20.848 1.00 3.33 N ATOM 31 CA ALA A 3 6.966 -15.378 -19.745 1.00 3.02 C ATOM 32 C ALA A 3 7.631 -15.856 -18.456 1.00 2.58 C ATOM 33 O ALA A 3 7.765 -17.056 -18.227 1.00 2.97 O ATOM 34 CB ALA A 3 5.634 -16.089 -20.022 1.00 3.46 C ATOM 0 H ALA A 3 8.539 -14.627 -20.833 1.00 3.33 H new ATOM 0 HA ALA A 3 6.684 -14.332 -19.624 1.00 3.02 H new ATOM 0 HB1 ALA A 3 4.986 -16.000 -19.150 1.00 3.46 H new ATOM 0 HB2 ALA A 3 5.149 -15.630 -20.884 1.00 3.46 H new ATOM 0 HB3 ALA A 3 5.820 -17.143 -20.229 1.00 3.46 H new ATOM 40 N GLU A 4 8.065 -14.902 -17.629 1.00 2.39 N ATOM 41 CA GLU A 4 8.794 -15.121 -16.392 1.00 2.38 C ATOM 42 C GLU A 4 7.873 -14.756 -15.216 1.00 2.16 C ATOM 43 O GLU A 4 7.688 -13.570 -14.948 1.00 2.20 O ATOM 44 CB GLU A 4 10.103 -14.309 -16.423 1.00 3.03 C ATOM 45 CG GLU A 4 10.040 -12.984 -17.209 1.00 3.96 C ATOM 46 CD GLU A 4 11.390 -12.276 -17.260 1.00 5.03 C ATOM 47 OE1 GLU A 4 12.268 -12.641 -16.449 1.00 5.47 O ATOM 48 OE2 GLU A 4 11.523 -11.396 -18.136 1.00 5.99 O ATOM 0 H GLU A 4 7.907 -13.912 -17.819 1.00 2.39 H new ATOM 0 HA GLU A 4 9.081 -16.165 -16.270 1.00 2.38 H new ATOM 0 HB2 GLU A 4 10.399 -14.090 -15.397 1.00 3.03 H new ATOM 0 HB3 GLU A 4 10.887 -14.931 -16.855 1.00 3.03 H new ATOM 0 HG2 GLU A 4 9.698 -13.183 -18.225 1.00 3.96 H new ATOM 0 HG3 GLU A 4 9.304 -12.325 -16.748 1.00 3.96 H new ATOM 55 N PRO A 5 7.247 -15.738 -14.543 1.00 2.17 N ATOM 56 CA PRO A 5 6.349 -15.468 -13.429 1.00 2.12 C ATOM 57 C PRO A 5 7.157 -15.012 -12.214 1.00 1.79 C ATOM 58 O PRO A 5 8.343 -15.327 -12.097 1.00 2.34 O ATOM 59 CB PRO A 5 5.616 -16.785 -13.169 1.00 2.51 C ATOM 60 CG PRO A 5 6.647 -17.835 -13.582 1.00 2.66 C ATOM 61 CD PRO A 5 7.371 -17.173 -14.758 1.00 2.49 C ATOM 0 HA PRO A 5 5.638 -14.670 -13.642 1.00 2.12 H new ATOM 0 HB2 PRO A 5 5.330 -16.889 -12.122 1.00 2.51 H new ATOM 0 HB3 PRO A 5 4.702 -16.862 -13.758 1.00 2.51 H new ATOM 0 HG2 PRO A 5 7.332 -18.068 -12.767 1.00 2.66 H new ATOM 0 HG3 PRO A 5 6.172 -18.771 -13.877 1.00 2.66 H new ATOM 0 HD2 PRO A 5 8.418 -17.474 -14.792 1.00 2.49 H new ATOM 0 HD3 PRO A 5 6.924 -17.466 -15.708 1.00 2.49 H new ATOM 69 N LEU A 6 6.515 -14.258 -11.322 1.00 1.11 N ATOM 70 CA LEU A 6 7.148 -13.556 -10.220 1.00 1.06 C ATOM 71 C LEU A 6 6.599 -14.093 -8.890 1.00 1.07 C ATOM 72 O LEU A 6 5.738 -14.972 -8.875 1.00 1.15 O ATOM 73 CB LEU A 6 6.883 -12.053 -10.403 1.00 1.11 C ATOM 74 CG LEU A 6 7.209 -11.512 -11.811 1.00 1.01 C ATOM 75 CD1 LEU A 6 6.727 -10.061 -11.913 1.00 1.42 C ATOM 76 CD2 LEU A 6 8.713 -11.571 -12.103 1.00 1.29 C ATOM 0 H LEU A 6 5.505 -14.118 -11.353 1.00 1.11 H new ATOM 0 HA LEU A 6 8.226 -13.717 -10.207 1.00 1.06 H new ATOM 0 HB2 LEU A 6 5.834 -11.853 -10.185 1.00 1.11 H new ATOM 0 HB3 LEU A 6 7.472 -11.501 -9.670 1.00 1.11 H new ATOM 0 HG LEU A 6 6.699 -12.137 -12.545 1.00 1.01 H new ATOM 0 HD11 LEU A 6 6.954 -9.671 -12.905 1.00 1.42 H new ATOM 0 HD12 LEU A 6 5.651 -10.022 -11.745 1.00 1.42 H new ATOM 0 HD13 LEU A 6 7.233 -9.456 -11.161 1.00 1.42 H new ATOM 0 HD21 LEU A 6 8.905 -11.182 -13.103 1.00 1.29 H new ATOM 0 HD22 LEU A 6 9.250 -10.969 -11.370 1.00 1.29 H new ATOM 0 HD23 LEU A 6 9.055 -12.604 -12.044 1.00 1.29 H new ATOM 88 N THR A 7 7.113 -13.610 -7.754 1.00 1.05 N ATOM 89 CA THR A 7 6.636 -14.043 -6.444 1.00 1.11 C ATOM 90 C THR A 7 5.262 -13.423 -6.152 1.00 1.02 C ATOM 91 O THR A 7 4.913 -12.405 -6.742 1.00 1.10 O ATOM 92 CB THR A 7 7.698 -13.724 -5.373 1.00 1.23 C ATOM 93 OG1 THR A 7 7.593 -14.657 -4.318 1.00 1.89 O ATOM 94 CG2 THR A 7 7.599 -12.306 -4.798 1.00 0.88 C ATOM 0 H THR A 7 7.861 -12.917 -7.720 1.00 1.05 H new ATOM 0 HA THR A 7 6.492 -15.123 -6.429 1.00 1.11 H new ATOM 0 HB THR A 7 8.665 -13.791 -5.872 1.00 1.23 H new ATOM 0 HG1 THR A 7 7.677 -14.191 -3.460 1.00 1.89 H new ATOM 0 HG21 THR A 7 8.380 -12.161 -4.052 1.00 0.88 H new ATOM 0 HG22 THR A 7 7.724 -11.579 -5.600 1.00 0.88 H new ATOM 0 HG23 THR A 7 6.623 -12.169 -4.333 1.00 0.88 H new ATOM 102 N GLU A 8 4.480 -14.007 -5.235 1.00 1.10 N ATOM 103 CA GLU A 8 3.135 -13.543 -4.882 1.00 1.08 C ATOM 104 C GLU A 8 3.068 -12.021 -4.738 1.00 0.91 C ATOM 105 O GLU A 8 2.271 -11.351 -5.402 1.00 0.91 O ATOM 106 CB GLU A 8 2.688 -14.223 -3.577 1.00 1.28 C ATOM 107 CG GLU A 8 1.688 -15.353 -3.853 1.00 1.86 C ATOM 108 CD GLU A 8 1.606 -16.341 -2.695 1.00 2.27 C ATOM 109 OE1 GLU A 8 1.976 -15.936 -1.569 1.00 2.98 O ATOM 110 OE2 GLU A 8 1.191 -17.489 -2.955 1.00 3.05 O ATOM 0 H GLU A 8 4.771 -14.831 -4.709 1.00 1.10 H new ATOM 0 HA GLU A 8 2.461 -13.816 -5.694 1.00 1.08 H new ATOM 0 HB2 GLU A 8 3.558 -14.623 -3.056 1.00 1.28 H new ATOM 0 HB3 GLU A 8 2.233 -13.485 -2.917 1.00 1.28 H new ATOM 0 HG2 GLU A 8 0.702 -14.927 -4.036 1.00 1.86 H new ATOM 0 HG3 GLU A 8 1.980 -15.882 -4.760 1.00 1.86 H new ATOM 117 N LEU A 9 3.908 -11.470 -3.862 1.00 0.80 N ATOM 118 CA LEU A 9 3.927 -10.035 -3.649 1.00 0.70 C ATOM 119 C LEU A 9 4.245 -9.296 -4.951 1.00 0.64 C ATOM 120 O LEU A 9 3.502 -8.383 -5.295 1.00 0.62 O ATOM 121 CB LEU A 9 4.818 -9.660 -2.456 1.00 0.69 C ATOM 122 CG LEU A 9 4.014 -9.851 -1.154 1.00 0.74 C ATOM 123 CD1 LEU A 9 4.918 -10.132 0.044 1.00 1.31 C ATOM 124 CD2 LEU A 9 3.167 -8.612 -0.832 1.00 1.25 C ATOM 0 H LEU A 9 4.575 -11.995 -3.297 1.00 0.80 H new ATOM 0 HA LEU A 9 2.930 -9.698 -3.365 1.00 0.70 H new ATOM 0 HB2 LEU A 9 5.712 -10.284 -2.442 1.00 0.69 H new ATOM 0 HB3 LEU A 9 5.152 -8.626 -2.545 1.00 0.69 H new ATOM 0 HG LEU A 9 3.367 -10.711 -1.327 1.00 0.74 H new ATOM 0 HD11 LEU A 9 4.308 -10.259 0.938 1.00 1.31 H new ATOM 0 HD12 LEU A 9 5.490 -11.042 -0.138 1.00 1.31 H new ATOM 0 HD13 LEU A 9 5.602 -9.296 0.188 1.00 1.31 H new ATOM 0 HD21 LEU A 9 2.613 -8.780 0.092 1.00 1.25 H new ATOM 0 HD22 LEU A 9 3.819 -7.747 -0.712 1.00 1.25 H new ATOM 0 HD23 LEU A 9 2.467 -8.428 -1.647 1.00 1.25 H new ATOM 136 N GLU A 10 5.272 -9.713 -5.702 1.00 0.65 N ATOM 137 CA GLU A 10 5.627 -9.146 -7.004 1.00 0.61 C ATOM 138 C GLU A 10 4.422 -9.132 -7.963 1.00 0.61 C ATOM 139 O GLU A 10 4.099 -8.088 -8.530 1.00 0.63 O ATOM 140 CB GLU A 10 6.833 -9.886 -7.606 1.00 0.68 C ATOM 141 CG GLU A 10 8.144 -9.599 -6.844 1.00 1.06 C ATOM 142 CD GLU A 10 9.285 -10.599 -7.069 1.00 1.29 C ATOM 143 OE1 GLU A 10 9.006 -11.673 -7.649 1.00 1.91 O ATOM 144 OE2 GLU A 10 10.411 -10.294 -6.613 1.00 2.19 O ATOM 0 H GLU A 10 5.891 -10.470 -5.413 1.00 0.65 H new ATOM 0 HA GLU A 10 5.918 -8.106 -6.853 1.00 0.61 H new ATOM 0 HB2 GLU A 10 6.639 -10.958 -7.597 1.00 0.68 H new ATOM 0 HB3 GLU A 10 6.951 -9.593 -8.649 1.00 0.68 H new ATOM 0 HG2 GLU A 10 8.496 -8.607 -7.127 1.00 1.06 H new ATOM 0 HG3 GLU A 10 7.921 -9.566 -5.777 1.00 1.06 H new ATOM 151 N GLU A 11 3.736 -10.266 -8.127 1.00 0.63 N ATOM 152 CA GLU A 11 2.526 -10.358 -8.939 1.00 0.64 C ATOM 153 C GLU A 11 1.495 -9.323 -8.465 1.00 0.64 C ATOM 154 O GLU A 11 0.974 -8.526 -9.250 1.00 0.68 O ATOM 155 CB GLU A 11 1.944 -11.780 -8.850 1.00 0.71 C ATOM 156 CG GLU A 11 2.860 -12.880 -9.419 1.00 1.96 C ATOM 157 CD GLU A 11 2.960 -12.879 -10.944 1.00 2.69 C ATOM 158 OE1 GLU A 11 2.062 -12.291 -11.580 1.00 2.25 O ATOM 159 OE2 GLU A 11 3.927 -13.492 -11.451 1.00 4.23 O ATOM 0 H GLU A 11 4.008 -11.150 -7.697 1.00 0.63 H new ATOM 0 HA GLU A 11 2.775 -10.147 -9.979 1.00 0.64 H new ATOM 0 HB2 GLU A 11 1.730 -12.007 -7.806 1.00 0.71 H new ATOM 0 HB3 GLU A 11 0.993 -11.804 -9.383 1.00 0.71 H new ATOM 0 HG2 GLU A 11 3.859 -12.759 -9.000 1.00 1.96 H new ATOM 0 HG3 GLU A 11 2.491 -13.852 -9.090 1.00 1.96 H new ATOM 166 N SER A 12 1.189 -9.334 -7.163 1.00 0.67 N ATOM 167 CA SER A 12 0.148 -8.476 -6.613 1.00 0.73 C ATOM 168 C SER A 12 0.481 -6.990 -6.799 1.00 0.68 C ATOM 169 O SER A 12 -0.387 -6.210 -7.194 1.00 0.75 O ATOM 170 CB SER A 12 -0.141 -8.837 -5.155 1.00 0.82 C ATOM 171 OG SER A 12 0.953 -8.507 -4.330 1.00 1.60 O ATOM 0 H SER A 12 1.650 -9.929 -6.475 1.00 0.67 H new ATOM 0 HA SER A 12 -0.769 -8.653 -7.174 1.00 0.73 H new ATOM 0 HB2 SER A 12 -1.031 -8.308 -4.815 1.00 0.82 H new ATOM 0 HB3 SER A 12 -0.354 -9.903 -5.075 1.00 0.82 H new ATOM 0 HG SER A 12 1.785 -8.595 -4.840 1.00 1.60 H new ATOM 177 N ILE A 13 1.728 -6.574 -6.540 1.00 0.59 N ATOM 178 CA ILE A 13 2.097 -5.194 -6.796 1.00 0.62 C ATOM 179 C ILE A 13 2.035 -4.907 -8.286 1.00 0.69 C ATOM 180 O ILE A 13 1.515 -3.858 -8.642 1.00 0.78 O ATOM 181 CB ILE A 13 3.392 -4.725 -6.111 1.00 0.62 C ATOM 182 CG1 ILE A 13 4.585 -5.668 -6.286 1.00 0.62 C ATOM 183 CG2 ILE A 13 3.079 -4.507 -4.624 1.00 0.60 C ATOM 184 CD1 ILE A 13 5.534 -5.177 -7.363 1.00 0.61 C ATOM 0 H ILE A 13 2.473 -7.161 -6.164 1.00 0.59 H new ATOM 0 HA ILE A 13 1.350 -4.570 -6.305 1.00 0.62 H new ATOM 0 HB ILE A 13 3.708 -3.801 -6.596 1.00 0.62 H new ATOM 0 HG12 ILE A 13 5.121 -5.756 -5.341 1.00 0.62 H new ATOM 0 HG13 ILE A 13 4.227 -6.665 -6.543 1.00 0.62 H new ATOM 0 HG21 ILE A 13 3.979 -4.173 -4.108 1.00 0.60 H new ATOM 0 HG22 ILE A 13 2.301 -3.750 -4.523 1.00 0.60 H new ATOM 0 HG23 ILE A 13 2.734 -5.443 -4.184 1.00 0.60 H new ATOM 0 HD11 ILE A 13 6.368 -5.873 -7.458 1.00 0.61 H new ATOM 0 HD12 ILE A 13 5.004 -5.114 -8.314 1.00 0.61 H new ATOM 0 HD13 ILE A 13 5.913 -4.191 -7.093 1.00 0.61 H new ATOM 196 N GLU A 14 2.480 -5.820 -9.158 1.00 0.66 N ATOM 197 CA GLU A 14 2.346 -5.597 -10.591 1.00 0.72 C ATOM 198 C GLU A 14 0.899 -5.234 -10.932 1.00 0.69 C ATOM 199 O GLU A 14 0.658 -4.157 -11.471 1.00 0.68 O ATOM 200 CB GLU A 14 2.868 -6.786 -11.410 1.00 0.83 C ATOM 201 CG GLU A 14 3.208 -6.358 -12.850 1.00 1.03 C ATOM 202 CD GLU A 14 1.998 -6.029 -13.722 1.00 1.96 C ATOM 203 OE1 GLU A 14 0.928 -6.634 -13.490 1.00 2.91 O ATOM 204 OE2 GLU A 14 2.162 -5.162 -14.606 1.00 2.65 O ATOM 0 H GLU A 14 2.926 -6.700 -8.898 1.00 0.66 H new ATOM 0 HA GLU A 14 2.975 -4.752 -10.870 1.00 0.72 H new ATOM 0 HB2 GLU A 14 3.755 -7.201 -10.931 1.00 0.83 H new ATOM 0 HB3 GLU A 14 2.118 -7.576 -11.429 1.00 0.83 H new ATOM 0 HG2 GLU A 14 3.858 -5.484 -12.811 1.00 1.03 H new ATOM 0 HG3 GLU A 14 3.776 -7.157 -13.327 1.00 1.03 H new ATOM 211 N THR A 15 -0.068 -6.081 -10.560 1.00 0.68 N ATOM 212 CA THR A 15 -1.444 -5.884 -11.020 1.00 0.70 C ATOM 213 C THR A 15 -2.012 -4.510 -10.609 1.00 0.70 C ATOM 214 O THR A 15 -2.713 -3.859 -11.386 1.00 0.75 O ATOM 215 CB THR A 15 -2.355 -7.086 -10.696 1.00 0.85 C ATOM 216 OG1 THR A 15 -3.512 -7.036 -11.505 1.00 1.32 O ATOM 217 CG2 THR A 15 -2.825 -7.177 -9.245 1.00 0.85 C ATOM 0 H THR A 15 0.073 -6.891 -9.956 1.00 0.68 H new ATOM 0 HA THR A 15 -1.418 -5.852 -12.109 1.00 0.70 H new ATOM 0 HB THR A 15 -1.734 -7.961 -10.889 1.00 0.85 H new ATOM 0 HG1 THR A 15 -4.089 -7.801 -11.299 1.00 1.32 H new ATOM 0 HG21 THR A 15 -3.459 -8.055 -9.122 1.00 0.85 H new ATOM 0 HG22 THR A 15 -1.960 -7.259 -8.587 1.00 0.85 H new ATOM 0 HG23 THR A 15 -3.392 -6.282 -8.989 1.00 0.85 H new ATOM 225 N VAL A 16 -1.674 -4.011 -9.415 1.00 0.68 N ATOM 226 CA VAL A 16 -2.093 -2.667 -9.013 1.00 0.67 C ATOM 227 C VAL A 16 -1.225 -1.594 -9.681 1.00 0.64 C ATOM 228 O VAL A 16 -1.736 -0.542 -10.056 1.00 0.65 O ATOM 229 CB VAL A 16 -2.195 -2.486 -7.487 1.00 0.69 C ATOM 230 CG1 VAL A 16 -3.093 -3.557 -6.856 1.00 0.72 C ATOM 231 CG2 VAL A 16 -0.843 -2.495 -6.773 1.00 0.68 C ATOM 0 H VAL A 16 -1.119 -4.510 -8.720 1.00 0.68 H new ATOM 0 HA VAL A 16 -3.112 -2.536 -9.377 1.00 0.67 H new ATOM 0 HB VAL A 16 -2.634 -1.497 -7.352 1.00 0.69 H new ATOM 0 HG11 VAL A 16 -3.144 -3.401 -5.778 1.00 0.72 H new ATOM 0 HG12 VAL A 16 -4.095 -3.488 -7.280 1.00 0.72 H new ATOM 0 HG13 VAL A 16 -2.680 -4.545 -7.060 1.00 0.72 H new ATOM 0 HG21 VAL A 16 -0.996 -2.362 -5.702 1.00 0.68 H new ATOM 0 HG22 VAL A 16 -0.343 -3.447 -6.953 1.00 0.68 H new ATOM 0 HG23 VAL A 16 -0.225 -1.682 -7.154 1.00 0.68 H new ATOM 241 N VAL A 17 0.077 -1.842 -9.842 1.00 0.64 N ATOM 242 CA VAL A 17 1.020 -0.920 -10.461 1.00 0.62 C ATOM 243 C VAL A 17 0.612 -0.641 -11.910 1.00 0.55 C ATOM 244 O VAL A 17 0.634 0.511 -12.336 1.00 0.56 O ATOM 245 CB VAL A 17 2.463 -1.455 -10.326 1.00 0.70 C ATOM 246 CG1 VAL A 17 3.440 -0.733 -11.253 1.00 0.73 C ATOM 247 CG2 VAL A 17 2.968 -1.244 -8.888 1.00 0.80 C ATOM 0 H VAL A 17 0.511 -2.713 -9.536 1.00 0.64 H new ATOM 0 HA VAL A 17 0.996 0.037 -9.940 1.00 0.62 H new ATOM 0 HB VAL A 17 2.426 -2.511 -10.592 1.00 0.70 H new ATOM 0 HG11 VAL A 17 4.440 -1.146 -11.120 1.00 0.73 H new ATOM 0 HG12 VAL A 17 3.126 -0.868 -12.288 1.00 0.73 H new ATOM 0 HG13 VAL A 17 3.451 0.330 -11.013 1.00 0.73 H new ATOM 0 HG21 VAL A 17 3.986 -1.624 -8.800 1.00 0.80 H new ATOM 0 HG22 VAL A 17 2.956 -0.180 -8.650 1.00 0.80 H new ATOM 0 HG23 VAL A 17 2.320 -1.778 -8.193 1.00 0.80 H new ATOM 257 N THR A 18 0.222 -1.664 -12.671 1.00 0.55 N ATOM 258 CA THR A 18 -0.252 -1.471 -14.035 1.00 0.54 C ATOM 259 C THR A 18 -1.556 -0.663 -14.037 1.00 0.54 C ATOM 260 O THR A 18 -1.643 0.347 -14.736 1.00 0.53 O ATOM 261 CB THR A 18 -0.315 -2.807 -14.795 1.00 0.58 C ATOM 262 OG1 THR A 18 -0.645 -2.587 -16.149 1.00 0.63 O ATOM 263 CG2 THR A 18 -1.294 -3.821 -14.202 1.00 0.60 C ATOM 0 H THR A 18 0.226 -2.636 -12.362 1.00 0.55 H new ATOM 0 HA THR A 18 0.465 -0.870 -14.594 1.00 0.54 H new ATOM 0 HB THR A 18 0.681 -3.239 -14.702 1.00 0.58 H new ATOM 0 HG1 THR A 18 -0.680 -3.445 -16.621 1.00 0.63 H new ATOM 0 HG21 THR A 18 -1.277 -4.734 -14.797 1.00 0.60 H new ATOM 0 HG22 THR A 18 -1.004 -4.050 -13.177 1.00 0.60 H new ATOM 0 HG23 THR A 18 -2.300 -3.402 -14.209 1.00 0.60 H new ATOM 271 N THR A 19 -2.543 -1.049 -13.212 1.00 0.61 N ATOM 272 CA THR A 19 -3.801 -0.319 -13.069 1.00 0.66 C ATOM 273 C THR A 19 -3.520 1.157 -12.745 1.00 0.66 C ATOM 274 O THR A 19 -4.094 2.059 -13.353 1.00 0.68 O ATOM 275 CB THR A 19 -4.677 -1.030 -12.018 1.00 0.75 C ATOM 276 OG1 THR A 19 -4.816 -2.387 -12.391 1.00 0.82 O ATOM 277 CG2 THR A 19 -6.099 -0.466 -11.910 1.00 0.83 C ATOM 0 H THR A 19 -2.485 -1.881 -12.625 1.00 0.61 H new ATOM 0 HA THR A 19 -4.361 -0.319 -14.004 1.00 0.66 H new ATOM 0 HB THR A 19 -4.176 -0.887 -11.060 1.00 0.75 H new ATOM 0 HG1 THR A 19 -4.160 -2.929 -11.905 1.00 0.82 H new ATOM 0 HG21 THR A 19 -6.653 -1.018 -11.150 1.00 0.83 H new ATOM 0 HG22 THR A 19 -6.053 0.587 -11.632 1.00 0.83 H new ATOM 0 HG23 THR A 19 -6.604 -0.566 -12.871 1.00 0.83 H new ATOM 285 N PHE A 20 -2.586 1.405 -11.823 1.00 0.68 N ATOM 286 CA PHE A 20 -2.123 2.737 -11.472 1.00 0.71 C ATOM 287 C PHE A 20 -1.524 3.437 -12.696 1.00 0.63 C ATOM 288 O PHE A 20 -2.046 4.459 -13.131 1.00 0.66 O ATOM 289 CB PHE A 20 -1.122 2.632 -10.310 1.00 0.84 C ATOM 290 CG PHE A 20 -0.371 3.909 -9.986 1.00 1.14 C ATOM 291 CD1 PHE A 20 -0.926 4.852 -9.104 1.00 2.59 C ATOM 292 CD2 PHE A 20 0.882 4.159 -10.580 1.00 2.10 C ATOM 293 CE1 PHE A 20 -0.241 6.050 -8.837 1.00 3.28 C ATOM 294 CE2 PHE A 20 1.530 5.387 -10.366 1.00 2.71 C ATOM 295 CZ PHE A 20 0.958 6.340 -9.511 1.00 2.90 C ATOM 0 H PHE A 20 -2.125 0.666 -11.293 1.00 0.68 H new ATOM 0 HA PHE A 20 -2.962 3.349 -11.142 1.00 0.71 H new ATOM 0 HB2 PHE A 20 -1.658 2.309 -9.418 1.00 0.84 H new ATOM 0 HB3 PHE A 20 -0.397 1.853 -10.546 1.00 0.84 H new ATOM 0 HD1 PHE A 20 -1.878 4.656 -8.632 1.00 2.59 H new ATOM 0 HD2 PHE A 20 1.345 3.406 -11.200 1.00 2.10 H new ATOM 0 HE1 PHE A 20 -0.636 6.748 -8.114 1.00 3.28 H new ATOM 0 HE2 PHE A 20 2.468 5.597 -10.859 1.00 2.71 H new ATOM 0 HZ PHE A 20 1.439 7.297 -9.370 1.00 2.90 H new ATOM 305 N PHE A 21 -0.449 2.905 -13.285 1.00 0.63 N ATOM 306 CA PHE A 21 0.283 3.616 -14.328 1.00 0.72 C ATOM 307 C PHE A 21 -0.585 3.873 -15.559 1.00 0.75 C ATOM 308 O PHE A 21 -0.534 4.965 -16.129 1.00 0.82 O ATOM 309 CB PHE A 21 1.593 2.904 -14.705 1.00 0.96 C ATOM 310 CG PHE A 21 2.771 3.156 -13.774 1.00 2.34 C ATOM 311 CD1 PHE A 21 3.194 4.471 -13.496 1.00 3.43 C ATOM 312 CD2 PHE A 21 3.538 2.076 -13.299 1.00 3.61 C ATOM 313 CE1 PHE A 21 4.298 4.703 -12.657 1.00 4.81 C ATOM 314 CE2 PHE A 21 4.667 2.307 -12.493 1.00 5.01 C ATOM 315 CZ PHE A 21 5.024 3.619 -12.138 1.00 5.39 C ATOM 0 H PHE A 21 -0.070 1.986 -13.055 1.00 0.63 H new ATOM 0 HA PHE A 21 0.553 4.586 -13.911 1.00 0.72 H new ATOM 0 HB2 PHE A 21 1.405 1.831 -14.741 1.00 0.96 H new ATOM 0 HB3 PHE A 21 1.876 3.212 -15.711 1.00 0.96 H new ATOM 0 HD1 PHE A 21 2.666 5.307 -13.931 1.00 3.43 H new ATOM 0 HD2 PHE A 21 3.258 1.065 -13.555 1.00 3.61 H new ATOM 0 HE1 PHE A 21 4.587 5.714 -12.412 1.00 4.81 H new ATOM 0 HE2 PHE A 21 5.261 1.474 -12.146 1.00 5.01 H new ATOM 0 HZ PHE A 21 5.854 3.793 -11.469 1.00 5.39 H new ATOM 325 N THR A 22 -1.393 2.891 -15.968 1.00 0.79 N ATOM 326 CA THR A 22 -2.258 3.064 -17.128 1.00 0.96 C ATOM 327 C THR A 22 -3.327 4.135 -16.870 1.00 0.92 C ATOM 328 O THR A 22 -3.844 4.714 -17.825 1.00 1.10 O ATOM 329 CB THR A 22 -2.820 1.719 -17.616 1.00 1.19 C ATOM 330 OG1 THR A 22 -3.198 1.840 -18.975 1.00 2.20 O ATOM 331 CG2 THR A 22 -4.028 1.231 -16.815 1.00 1.53 C ATOM 0 H THR A 22 -1.463 1.979 -15.516 1.00 0.79 H new ATOM 0 HA THR A 22 -1.658 3.443 -17.956 1.00 0.96 H new ATOM 0 HB THR A 22 -2.027 0.983 -17.480 1.00 1.19 H new ATOM 0 HG1 THR A 22 -3.556 0.985 -19.292 1.00 2.20 H new ATOM 0 HG21 THR A 22 -4.370 0.277 -17.217 1.00 1.53 H new ATOM 0 HG22 THR A 22 -3.745 1.104 -15.770 1.00 1.53 H new ATOM 0 HG23 THR A 22 -4.832 1.964 -16.886 1.00 1.53 H new ATOM 339 N PHE A 23 -3.645 4.425 -15.603 1.00 0.85 N ATOM 340 CA PHE A 23 -4.414 5.607 -15.229 1.00 0.87 C ATOM 341 C PHE A 23 -3.520 6.846 -15.163 1.00 0.84 C ATOM 342 O PHE A 23 -3.889 7.906 -15.632 1.00 0.96 O ATOM 343 CB PHE A 23 -5.141 5.374 -13.894 1.00 0.87 C ATOM 344 CG PHE A 23 -6.505 4.724 -14.021 1.00 1.06 C ATOM 345 CD1 PHE A 23 -6.777 3.808 -15.057 1.00 2.52 C ATOM 346 CD2 PHE A 23 -7.556 5.162 -13.195 1.00 1.72 C ATOM 347 CE1 PHE A 23 -8.104 3.512 -15.404 1.00 3.01 C ATOM 348 CE2 PHE A 23 -8.874 4.789 -13.492 1.00 2.18 C ATOM 349 CZ PHE A 23 -9.156 4.075 -14.666 1.00 2.40 C ATOM 0 H PHE A 23 -3.374 3.843 -14.811 1.00 0.85 H new ATOM 0 HA PHE A 23 -5.165 5.785 -15.999 1.00 0.87 H new ATOM 0 HB2 PHE A 23 -4.514 4.749 -13.258 1.00 0.87 H new ATOM 0 HB3 PHE A 23 -5.256 6.332 -13.386 1.00 0.87 H new ATOM 0 HD1 PHE A 23 -5.963 3.333 -15.585 1.00 2.52 H new ATOM 0 HD2 PHE A 23 -7.348 5.783 -12.336 1.00 1.72 H new ATOM 0 HE1 PHE A 23 -8.314 2.854 -16.235 1.00 3.01 H new ATOM 0 HE2 PHE A 23 -9.674 5.052 -12.816 1.00 2.18 H new ATOM 0 HZ PHE A 23 -10.177 3.959 -15.000 1.00 2.40 H new ATOM 359 N ALA A 24 -2.332 6.732 -14.586 1.00 0.76 N ATOM 360 CA ALA A 24 -1.460 7.826 -14.186 1.00 0.84 C ATOM 361 C ALA A 24 -1.119 8.737 -15.355 1.00 0.97 C ATOM 362 O ALA A 24 -0.799 9.914 -15.151 1.00 1.13 O ATOM 363 CB ALA A 24 -0.169 7.258 -13.591 1.00 0.86 C ATOM 0 H ALA A 24 -1.928 5.820 -14.372 1.00 0.76 H new ATOM 0 HA ALA A 24 -1.991 8.420 -13.443 1.00 0.84 H new ATOM 0 HB1 ALA A 24 0.485 8.077 -13.291 1.00 0.86 H new ATOM 0 HB2 ALA A 24 -0.408 6.647 -12.721 1.00 0.86 H new ATOM 0 HB3 ALA A 24 0.337 6.645 -14.337 1.00 0.86 H new ATOM 369 N ARG A 25 -1.109 8.167 -16.560 1.00 1.04 N ATOM 370 CA ARG A 25 -0.855 8.877 -17.800 1.00 1.27 C ATOM 371 C ARG A 25 -1.960 9.885 -18.132 1.00 1.36 C ATOM 372 O ARG A 25 -1.648 10.901 -18.748 1.00 1.75 O ATOM 373 CB ARG A 25 -0.672 7.863 -18.942 1.00 1.33 C ATOM 374 CG ARG A 25 -2.002 7.193 -19.306 1.00 1.53 C ATOM 375 CD ARG A 25 -1.839 5.972 -20.214 1.00 2.08 C ATOM 376 NE ARG A 25 -3.128 5.273 -20.303 1.00 2.61 N ATOM 377 CZ ARG A 25 -4.209 5.705 -20.967 1.00 2.76 C ATOM 378 NH1 ARG A 25 -4.091 6.650 -21.905 1.00 2.90 N ATOM 379 NH2 ARG A 25 -5.406 5.195 -20.668 1.00 3.59 N ATOM 0 H ARG A 25 -1.283 7.171 -16.697 1.00 1.04 H new ATOM 0 HA ARG A 25 0.061 9.455 -17.677 1.00 1.27 H new ATOM 0 HB2 ARG A 25 -0.264 8.367 -19.818 1.00 1.33 H new ATOM 0 HB3 ARG A 25 0.052 7.104 -18.645 1.00 1.33 H new ATOM 0 HG2 ARG A 25 -2.510 6.890 -18.391 1.00 1.53 H new ATOM 0 HG3 ARG A 25 -2.644 7.922 -19.801 1.00 1.53 H new ATOM 0 HD2 ARG A 25 -1.508 6.281 -21.206 1.00 2.08 H new ATOM 0 HD3 ARG A 25 -1.075 5.305 -19.816 1.00 2.08 H new ATOM 0 HE ARG A 25 -3.207 4.380 -19.816 1.00 2.61 H new ATOM 0 HH11 ARG A 25 -3.175 7.046 -22.118 1.00 2.90 H new ATOM 0 HH12 ARG A 25 -4.917 6.976 -22.408 1.00 2.90 H new ATOM 0 HH21 ARG A 25 -5.490 4.485 -19.941 1.00 3.59 H new ATOM 0 HH22 ARG A 25 -6.236 5.516 -21.166 1.00 3.59 H new ATOM 393 N GLN A 26 -3.226 9.584 -17.791 1.00 1.09 N ATOM 394 CA GLN A 26 -4.412 10.253 -18.326 1.00 1.08 C ATOM 395 C GLN A 26 -4.238 11.770 -18.449 1.00 1.17 C ATOM 396 O GLN A 26 -4.323 12.349 -19.529 1.00 1.38 O ATOM 397 CB GLN A 26 -5.609 9.956 -17.406 1.00 0.87 C ATOM 398 CG GLN A 26 -6.890 9.650 -18.148 1.00 1.05 C ATOM 399 CD GLN A 26 -6.961 8.190 -18.599 1.00 1.31 C ATOM 400 OE1 GLN A 26 -6.330 7.802 -19.584 1.00 2.05 O ATOM 401 NE2 GLN A 26 -7.715 7.357 -17.890 1.00 1.61 N ATOM 0 H GLN A 26 -3.451 8.850 -17.119 1.00 1.09 H new ATOM 0 HA GLN A 26 -4.578 9.866 -19.331 1.00 1.08 H new ATOM 0 HB2 GLN A 26 -5.361 9.110 -16.765 1.00 0.87 H new ATOM 0 HB3 GLN A 26 -5.775 10.813 -16.753 1.00 0.87 H new ATOM 0 HG2 GLN A 26 -7.742 9.872 -17.506 1.00 1.05 H new ATOM 0 HG3 GLN A 26 -6.969 10.302 -19.018 1.00 1.05 H new ATOM 0 HE21 GLN A 26 -8.229 7.700 -17.078 1.00 1.61 H new ATOM 0 HE22 GLN A 26 -7.780 6.375 -18.157 1.00 1.61 H new ATOM 410 N GLU A 27 -3.986 12.388 -17.300 1.00 1.14 N ATOM 411 CA GLU A 27 -3.811 13.810 -17.095 1.00 1.37 C ATOM 412 C GLU A 27 -2.318 13.993 -16.873 1.00 1.33 C ATOM 413 O GLU A 27 -1.870 14.064 -15.722 1.00 2.05 O ATOM 414 CB GLU A 27 -4.612 14.275 -15.866 1.00 1.56 C ATOM 415 CG GLU A 27 -6.117 13.996 -15.932 1.00 1.55 C ATOM 416 CD GLU A 27 -6.763 14.479 -14.636 1.00 2.08 C ATOM 417 OE1 GLU A 27 -6.699 13.733 -13.632 1.00 2.95 O ATOM 418 OE2 GLU A 27 -7.274 15.616 -14.635 1.00 2.44 O ATOM 0 H GLU A 27 -3.893 11.865 -16.429 1.00 1.14 H new ATOM 0 HA GLU A 27 -4.169 14.399 -17.939 1.00 1.37 H new ATOM 0 HB2 GLU A 27 -4.206 13.787 -14.980 1.00 1.56 H new ATOM 0 HB3 GLU A 27 -4.462 15.347 -15.737 1.00 1.56 H new ATOM 0 HG2 GLU A 27 -6.559 14.507 -16.787 1.00 1.55 H new ATOM 0 HG3 GLU A 27 -6.298 12.930 -16.070 1.00 1.55 H new ATOM 425 N GLY A 28 -1.546 13.920 -17.957 1.00 1.30 N ATOM 426 CA GLY A 28 -0.101 14.103 -17.979 1.00 1.54 C ATOM 427 C GLY A 28 0.679 13.105 -17.115 1.00 1.45 C ATOM 428 O GLY A 28 0.112 12.446 -16.237 1.00 1.60 O ATOM 0 H GLY A 28 -1.930 13.723 -18.881 1.00 1.30 H new ATOM 0 HA2 GLY A 28 0.247 14.023 -19.009 1.00 1.54 H new ATOM 0 HA3 GLY A 28 0.130 15.114 -17.642 1.00 1.54 H new ATOM 432 N ARG A 29 1.993 13.035 -17.371 1.00 1.42 N ATOM 433 CA ARG A 29 3.040 12.416 -16.557 1.00 1.45 C ATOM 434 C ARG A 29 2.571 11.238 -15.689 1.00 1.48 C ATOM 435 O ARG A 29 2.002 11.424 -14.608 1.00 1.56 O ATOM 436 CB ARG A 29 3.799 13.486 -15.758 1.00 1.58 C ATOM 437 CG ARG A 29 4.733 14.296 -16.668 1.00 1.90 C ATOM 438 CD ARG A 29 5.611 15.247 -15.847 1.00 2.32 C ATOM 439 NE ARG A 29 6.581 15.943 -16.710 1.00 3.02 N ATOM 440 CZ ARG A 29 7.610 16.687 -16.272 1.00 3.84 C ATOM 441 NH1 ARG A 29 7.761 16.908 -14.962 1.00 4.43 N ATOM 442 NH2 ARG A 29 8.485 17.200 -17.146 1.00 4.77 N ATOM 0 H ARG A 29 2.378 13.444 -18.222 1.00 1.42 H new ATOM 0 HA ARG A 29 3.735 11.950 -17.255 1.00 1.45 H new ATOM 0 HB2 ARG A 29 3.088 14.155 -15.273 1.00 1.58 H new ATOM 0 HB3 ARG A 29 4.379 13.011 -14.967 1.00 1.58 H new ATOM 0 HG2 ARG A 29 5.364 13.618 -17.243 1.00 1.90 H new ATOM 0 HG3 ARG A 29 4.143 14.867 -17.384 1.00 1.90 H new ATOM 0 HD2 ARG A 29 4.984 15.977 -15.335 1.00 2.32 H new ATOM 0 HD3 ARG A 29 6.140 14.686 -15.077 1.00 2.32 H new ATOM 0 HE ARG A 29 6.462 15.853 -17.719 1.00 3.02 H new ATOM 0 HH11 ARG A 29 7.096 16.512 -14.298 1.00 4.43 H new ATOM 0 HH12 ARG A 29 8.542 17.473 -14.627 1.00 4.43 H new ATOM 0 HH21 ARG A 29 8.370 17.026 -18.144 1.00 4.77 H new ATOM 0 HH22 ARG A 29 9.266 17.765 -16.813 1.00 4.77 H new ATOM 456 N LYS A 30 2.846 10.024 -16.180 1.00 1.65 N ATOM 457 CA LYS A 30 2.466 8.748 -15.589 1.00 1.79 C ATOM 458 C LYS A 30 3.223 8.448 -14.286 1.00 1.82 C ATOM 459 O LYS A 30 3.996 7.496 -14.204 1.00 2.07 O ATOM 460 CB LYS A 30 2.608 7.646 -16.655 1.00 2.05 C ATOM 461 CG LYS A 30 4.050 7.425 -17.152 1.00 2.23 C ATOM 462 CD LYS A 30 4.054 7.014 -18.631 1.00 2.14 C ATOM 463 CE LYS A 30 5.490 6.785 -19.131 1.00 2.75 C ATOM 464 NZ LYS A 30 5.540 6.486 -20.579 1.00 3.37 N ATOM 0 H LYS A 30 3.368 9.906 -17.048 1.00 1.65 H new ATOM 0 HA LYS A 30 1.422 8.791 -15.280 1.00 1.79 H new ATOM 0 HB2 LYS A 30 2.230 6.709 -16.245 1.00 2.05 H new ATOM 0 HB3 LYS A 30 1.977 7.898 -17.507 1.00 2.05 H new ATOM 0 HG2 LYS A 30 4.630 8.339 -17.021 1.00 2.23 H new ATOM 0 HG3 LYS A 30 4.533 6.653 -16.553 1.00 2.23 H new ATOM 0 HD2 LYS A 30 3.469 6.103 -18.761 1.00 2.14 H new ATOM 0 HD3 LYS A 30 3.575 7.789 -19.230 1.00 2.14 H new ATOM 0 HE2 LYS A 30 6.090 7.671 -18.925 1.00 2.75 H new ATOM 0 HE3 LYS A 30 5.938 5.961 -18.576 1.00 2.75 H new ATOM 0 HZ1 LYS A 30 6.528 6.339 -20.869 1.00 3.37 H new ATOM 0 HZ2 LYS A 30 4.990 5.625 -20.775 1.00 3.37 H new ATOM 0 HZ3 LYS A 30 5.137 7.283 -21.112 1.00 3.37 H new ATOM 478 N ASP A 31 2.970 9.274 -13.270 1.00 1.75 N ATOM 479 CA ASP A 31 3.609 9.292 -11.956 1.00 1.89 C ATOM 480 C ASP A 31 2.806 10.231 -11.050 1.00 1.71 C ATOM 481 O ASP A 31 2.526 9.911 -9.897 1.00 2.02 O ATOM 482 CB ASP A 31 5.063 9.781 -12.069 1.00 2.08 C ATOM 483 CG ASP A 31 6.037 8.635 -12.290 1.00 2.77 C ATOM 484 OD1 ASP A 31 6.172 7.788 -11.378 1.00 3.82 O ATOM 485 OD2 ASP A 31 6.652 8.580 -13.378 1.00 3.30 O ATOM 0 H ASP A 31 2.260 10.002 -13.352 1.00 1.75 H new ATOM 0 HA ASP A 31 3.627 8.285 -11.538 1.00 1.89 H new ATOM 0 HB2 ASP A 31 5.144 10.489 -12.894 1.00 2.08 H new ATOM 0 HB3 ASP A 31 5.336 10.318 -11.161 1.00 2.08 H new ATOM 490 N SER A 32 2.455 11.398 -11.595 1.00 1.38 N ATOM 491 CA SER A 32 1.561 12.401 -11.041 1.00 1.19 C ATOM 492 C SER A 32 0.107 12.059 -11.381 1.00 1.00 C ATOM 493 O SER A 32 -0.287 12.160 -12.554 1.00 1.03 O ATOM 494 CB SER A 32 1.963 13.743 -11.670 1.00 1.12 C ATOM 495 OG SER A 32 2.487 13.522 -12.970 1.00 1.68 O ATOM 0 H SER A 32 2.820 11.682 -12.504 1.00 1.38 H new ATOM 0 HA SER A 32 1.638 12.443 -9.955 1.00 1.19 H new ATOM 0 HB2 SER A 32 1.098 14.405 -11.723 1.00 1.12 H new ATOM 0 HB3 SER A 32 2.707 14.240 -11.047 1.00 1.12 H new ATOM 0 HG SER A 32 1.936 12.860 -13.437 1.00 1.68 H new ATOM 501 N LEU A 33 -0.698 11.678 -10.384 1.00 0.87 N ATOM 502 CA LEU A 33 -2.136 11.490 -10.549 1.00 0.80 C ATOM 503 C LEU A 33 -2.861 12.792 -10.227 1.00 0.87 C ATOM 504 O LEU A 33 -2.666 13.321 -9.144 1.00 1.19 O ATOM 505 CB LEU A 33 -2.663 10.346 -9.670 1.00 0.88 C ATOM 506 CG LEU A 33 -2.573 9.025 -10.438 1.00 0.88 C ATOM 507 CD1 LEU A 33 -1.115 8.636 -10.669 1.00 2.55 C ATOM 508 CD2 LEU A 33 -3.319 7.892 -9.738 1.00 2.15 C ATOM 0 H LEU A 33 -0.366 11.492 -9.438 1.00 0.87 H new ATOM 0 HA LEU A 33 -2.329 11.215 -11.586 1.00 0.80 H new ATOM 0 HB2 LEU A 33 -2.082 10.284 -8.750 1.00 0.88 H new ATOM 0 HB3 LEU A 33 -3.696 10.541 -9.382 1.00 0.88 H new ATOM 0 HG LEU A 33 -3.058 9.185 -11.401 1.00 0.88 H new ATOM 0 HD11 LEU A 33 -1.072 7.694 -11.216 1.00 2.55 H new ATOM 0 HD12 LEU A 33 -0.618 9.415 -11.247 1.00 2.55 H new ATOM 0 HD13 LEU A 33 -0.613 8.521 -9.709 1.00 2.55 H new ATOM 0 HD21 LEU A 33 -3.224 6.978 -10.324 1.00 2.15 H new ATOM 0 HD22 LEU A 33 -2.894 7.734 -8.747 1.00 2.15 H new ATOM 0 HD23 LEU A 33 -4.373 8.154 -9.643 1.00 2.15 H new ATOM 520 N SER A 34 -3.677 13.322 -11.137 1.00 0.87 N ATOM 521 CA SER A 34 -4.526 14.470 -10.850 1.00 1.06 C ATOM 522 C SER A 34 -5.960 14.034 -10.557 1.00 1.08 C ATOM 523 O SER A 34 -6.269 12.846 -10.427 1.00 1.05 O ATOM 524 CB SER A 34 -4.412 15.577 -11.901 1.00 1.29 C ATOM 525 OG SER A 34 -4.755 16.810 -11.287 1.00 2.48 O ATOM 0 H SER A 34 -3.766 12.967 -12.089 1.00 0.87 H new ATOM 0 HA SER A 34 -4.154 14.933 -9.936 1.00 1.06 H new ATOM 0 HB2 SER A 34 -3.398 15.620 -12.299 1.00 1.29 H new ATOM 0 HB3 SER A 34 -5.076 15.373 -12.741 1.00 1.29 H new ATOM 0 HG SER A 34 -4.110 17.013 -10.578 1.00 2.48 H new ATOM 531 N VAL A 35 -6.805 15.027 -10.286 1.00 1.25 N ATOM 532 CA VAL A 35 -8.125 14.814 -9.723 1.00 1.38 C ATOM 533 C VAL A 35 -8.998 13.894 -10.581 1.00 1.36 C ATOM 534 O VAL A 35 -9.772 13.120 -10.017 1.00 1.35 O ATOM 535 CB VAL A 35 -8.821 16.148 -9.407 1.00 1.60 C ATOM 536 CG1 VAL A 35 -7.952 16.994 -8.469 1.00 1.82 C ATOM 537 CG2 VAL A 35 -9.173 16.954 -10.661 1.00 2.94 C ATOM 0 H VAL A 35 -6.585 16.009 -10.455 1.00 1.25 H new ATOM 0 HA VAL A 35 -7.981 14.288 -8.779 1.00 1.38 H new ATOM 0 HB VAL A 35 -9.761 15.898 -8.916 1.00 1.60 H new ATOM 0 HG11 VAL A 35 -8.458 17.935 -8.254 1.00 1.82 H new ATOM 0 HG12 VAL A 35 -7.786 16.451 -7.539 1.00 1.82 H new ATOM 0 HG13 VAL A 35 -6.993 17.198 -8.946 1.00 1.82 H new ATOM 0 HG21 VAL A 35 -9.662 17.884 -10.370 1.00 2.94 H new ATOM 0 HG22 VAL A 35 -8.262 17.180 -11.216 1.00 2.94 H new ATOM 0 HG23 VAL A 35 -9.846 16.372 -11.291 1.00 2.94 H new ATOM 547 N ASN A 36 -8.900 13.956 -11.916 1.00 1.50 N ATOM 548 CA ASN A 36 -9.758 13.130 -12.752 1.00 1.59 C ATOM 549 C ASN A 36 -9.273 11.692 -12.663 1.00 1.49 C ATOM 550 O ASN A 36 -10.055 10.825 -12.299 1.00 1.50 O ATOM 551 CB ASN A 36 -9.850 13.647 -14.192 1.00 1.80 C ATOM 552 CG ASN A 36 -11.217 13.333 -14.792 1.00 1.47 C ATOM 553 OD1 ASN A 36 -12.130 14.149 -14.721 1.00 1.66 O ATOM 554 ND2 ASN A 36 -11.394 12.156 -15.378 1.00 2.07 N ATOM 0 H ASN A 36 -8.250 14.556 -12.423 1.00 1.50 H new ATOM 0 HA ASN A 36 -10.782 13.179 -12.382 1.00 1.59 H new ATOM 0 HB2 ASN A 36 -9.679 14.723 -14.209 1.00 1.80 H new ATOM 0 HB3 ASN A 36 -9.068 13.190 -14.798 1.00 1.80 H new ATOM 0 HD21 ASN A 36 -12.301 11.917 -15.779 1.00 2.07 H new ATOM 0 HD22 ASN A 36 -10.623 11.490 -15.428 1.00 2.07 H new ATOM 561 N GLU A 37 -7.972 11.454 -12.871 1.00 1.46 N ATOM 562 CA GLU A 37 -7.331 10.155 -12.662 1.00 1.47 C ATOM 563 C GLU A 37 -7.757 9.546 -11.330 1.00 1.30 C ATOM 564 O GLU A 37 -8.122 8.373 -11.245 1.00 1.37 O ATOM 565 CB GLU A 37 -5.806 10.329 -12.683 1.00 1.56 C ATOM 566 CG GLU A 37 -5.358 10.564 -14.121 1.00 1.00 C ATOM 567 CD GLU A 37 -3.964 11.152 -14.250 1.00 0.92 C ATOM 568 OE1 GLU A 37 -3.461 11.948 -13.430 1.00 1.86 O ATOM 569 OE2 GLU A 37 -3.250 10.881 -15.231 1.00 1.62 O ATOM 0 H GLU A 37 -7.326 12.174 -13.195 1.00 1.46 H new ATOM 0 HA GLU A 37 -7.640 9.483 -13.463 1.00 1.47 H new ATOM 0 HB2 GLU A 37 -5.513 11.170 -12.054 1.00 1.56 H new ATOM 0 HB3 GLU A 37 -5.319 9.443 -12.276 1.00 1.56 H new ATOM 0 HG2 GLU A 37 -5.392 9.617 -14.660 1.00 1.00 H new ATOM 0 HG3 GLU A 37 -6.069 11.233 -14.607 1.00 1.00 H new ATOM 576 N PHE A 38 -7.693 10.356 -10.272 1.00 1.13 N ATOM 577 CA PHE A 38 -8.120 9.918 -8.961 1.00 1.06 C ATOM 578 C PHE A 38 -9.604 9.522 -8.993 1.00 1.08 C ATOM 579 O PHE A 38 -9.937 8.373 -8.688 1.00 1.08 O ATOM 580 CB PHE A 38 -7.801 11.002 -7.927 1.00 1.05 C ATOM 581 CG PHE A 38 -8.034 10.655 -6.468 1.00 1.24 C ATOM 582 CD1 PHE A 38 -8.306 9.338 -6.042 1.00 2.32 C ATOM 583 CD2 PHE A 38 -7.997 11.693 -5.518 1.00 2.23 C ATOM 584 CE1 PHE A 38 -8.590 9.077 -4.694 1.00 2.54 C ATOM 585 CE2 PHE A 38 -8.311 11.433 -4.175 1.00 2.85 C ATOM 586 CZ PHE A 38 -8.600 10.124 -3.761 1.00 2.41 C ATOM 0 H PHE A 38 -7.349 11.316 -10.307 1.00 1.13 H new ATOM 0 HA PHE A 38 -7.571 9.025 -8.662 1.00 1.06 H new ATOM 0 HB2 PHE A 38 -6.755 11.285 -8.045 1.00 1.05 H new ATOM 0 HB3 PHE A 38 -8.398 11.883 -8.165 1.00 1.05 H new ATOM 0 HD1 PHE A 38 -8.295 8.528 -6.756 1.00 2.32 H new ATOM 0 HD2 PHE A 38 -7.726 12.693 -5.824 1.00 2.23 H new ATOM 0 HE1 PHE A 38 -8.801 8.068 -4.374 1.00 2.54 H new ATOM 0 HE2 PHE A 38 -8.330 12.242 -3.459 1.00 2.85 H new ATOM 0 HZ PHE A 38 -8.830 9.923 -2.725 1.00 2.41 H new ATOM 596 N LYS A 39 -10.499 10.446 -9.369 1.00 1.16 N ATOM 597 CA LYS A 39 -11.931 10.178 -9.333 1.00 1.25 C ATOM 598 C LYS A 39 -12.301 8.958 -10.198 1.00 1.26 C ATOM 599 O LYS A 39 -13.156 8.156 -9.811 1.00 1.29 O ATOM 600 CB LYS A 39 -12.773 11.428 -9.623 1.00 1.36 C ATOM 601 CG LYS A 39 -14.233 11.205 -9.170 1.00 1.44 C ATOM 602 CD LYS A 39 -15.067 12.496 -9.297 1.00 1.74 C ATOM 603 CE LYS A 39 -14.996 13.412 -8.058 1.00 1.60 C ATOM 604 NZ LYS A 39 -16.012 13.069 -7.034 1.00 2.44 N ATOM 0 H LYS A 39 -10.252 11.379 -9.699 1.00 1.16 H new ATOM 0 HA LYS A 39 -12.187 9.905 -8.309 1.00 1.25 H new ATOM 0 HB2 LYS A 39 -12.351 12.288 -9.104 1.00 1.36 H new ATOM 0 HB3 LYS A 39 -12.746 11.654 -10.689 1.00 1.36 H new ATOM 0 HG2 LYS A 39 -14.686 10.417 -9.772 1.00 1.44 H new ATOM 0 HG3 LYS A 39 -14.246 10.862 -8.135 1.00 1.44 H new ATOM 0 HD2 LYS A 39 -14.724 13.054 -10.169 1.00 1.74 H new ATOM 0 HD3 LYS A 39 -16.108 12.228 -9.479 1.00 1.74 H new ATOM 0 HE2 LYS A 39 -14.002 13.342 -7.616 1.00 1.60 H new ATOM 0 HE3 LYS A 39 -15.134 14.448 -8.368 1.00 1.60 H new ATOM 0 HZ1 LYS A 39 -15.931 13.725 -6.231 1.00 2.44 H new ATOM 0 HZ2 LYS A 39 -16.963 13.145 -7.449 1.00 2.44 H new ATOM 0 HZ3 LYS A 39 -15.856 12.096 -6.702 1.00 2.44 H new ATOM 618 N GLU A 40 -11.637 8.783 -11.345 1.00 1.28 N ATOM 619 CA GLU A 40 -11.786 7.613 -12.193 1.00 1.33 C ATOM 620 C GLU A 40 -11.562 6.336 -11.388 1.00 1.23 C ATOM 621 O GLU A 40 -12.325 5.392 -11.548 1.00 1.28 O ATOM 622 CB GLU A 40 -10.819 7.642 -13.388 1.00 1.43 C ATOM 623 CG GLU A 40 -11.159 8.703 -14.443 1.00 1.64 C ATOM 624 CD GLU A 40 -9.969 8.968 -15.363 1.00 2.31 C ATOM 625 OE1 GLU A 40 -9.417 7.985 -15.902 1.00 3.23 O ATOM 626 OE2 GLU A 40 -9.625 10.159 -15.524 1.00 2.63 O ATOM 0 H GLU A 40 -10.972 9.465 -11.709 1.00 1.28 H new ATOM 0 HA GLU A 40 -12.805 7.627 -12.580 1.00 1.33 H new ATOM 0 HB2 GLU A 40 -9.809 7.822 -13.020 1.00 1.43 H new ATOM 0 HB3 GLU A 40 -10.816 6.661 -13.863 1.00 1.43 H new ATOM 0 HG2 GLU A 40 -12.012 8.371 -15.034 1.00 1.64 H new ATOM 0 HG3 GLU A 40 -11.454 9.629 -13.949 1.00 1.64 H new ATOM 633 N LEU A 41 -10.528 6.264 -10.545 1.00 1.14 N ATOM 634 CA LEU A 41 -10.167 5.015 -9.876 1.00 1.10 C ATOM 635 C LEU A 41 -11.295 4.626 -8.924 1.00 1.10 C ATOM 636 O LEU A 41 -11.801 3.501 -8.943 1.00 1.12 O ATOM 637 CB LEU A 41 -8.830 5.199 -9.134 1.00 1.04 C ATOM 638 CG LEU A 41 -8.146 3.914 -8.622 1.00 1.07 C ATOM 639 CD1 LEU A 41 -8.980 3.096 -7.633 1.00 2.44 C ATOM 640 CD2 LEU A 41 -7.649 3.027 -9.770 1.00 1.93 C ATOM 0 H LEU A 41 -9.928 7.055 -10.311 1.00 1.14 H new ATOM 0 HA LEU A 41 -10.035 4.211 -10.600 1.00 1.10 H new ATOM 0 HB2 LEU A 41 -8.137 5.712 -9.801 1.00 1.04 H new ATOM 0 HB3 LEU A 41 -9.000 5.858 -8.283 1.00 1.04 H new ATOM 0 HG LEU A 41 -7.286 4.277 -8.059 1.00 1.07 H new ATOM 0 HD11 LEU A 41 -8.419 2.212 -7.328 1.00 2.44 H new ATOM 0 HD12 LEU A 41 -9.204 3.704 -6.756 1.00 2.44 H new ATOM 0 HD13 LEU A 41 -9.911 2.789 -8.109 1.00 2.44 H new ATOM 0 HD21 LEU A 41 -7.175 2.135 -9.361 1.00 1.93 H new ATOM 0 HD22 LEU A 41 -8.492 2.735 -10.396 1.00 1.93 H new ATOM 0 HD23 LEU A 41 -6.926 3.580 -10.370 1.00 1.93 H new ATOM 652 N VAL A 42 -11.694 5.599 -8.103 1.00 1.08 N ATOM 653 CA VAL A 42 -12.655 5.400 -7.031 1.00 1.06 C ATOM 654 C VAL A 42 -13.993 4.978 -7.641 1.00 1.27 C ATOM 655 O VAL A 42 -14.651 4.056 -7.162 1.00 1.38 O ATOM 656 CB VAL A 42 -12.727 6.645 -6.120 1.00 1.01 C ATOM 657 CG1 VAL A 42 -11.397 6.864 -5.381 1.00 0.86 C ATOM 658 CG2 VAL A 42 -13.061 7.929 -6.855 1.00 1.28 C ATOM 0 H VAL A 42 -11.351 6.557 -8.170 1.00 1.08 H new ATOM 0 HA VAL A 42 -12.340 4.593 -6.370 1.00 1.06 H new ATOM 0 HB VAL A 42 -13.538 6.431 -5.424 1.00 1.01 H new ATOM 0 HG11 VAL A 42 -11.474 7.747 -4.746 1.00 0.86 H new ATOM 0 HG12 VAL A 42 -11.175 5.993 -4.765 1.00 0.86 H new ATOM 0 HG13 VAL A 42 -10.597 7.008 -6.107 1.00 0.86 H new ATOM 0 HG21 VAL A 42 -13.093 8.756 -6.146 1.00 1.28 H new ATOM 0 HG22 VAL A 42 -12.298 8.126 -7.608 1.00 1.28 H new ATOM 0 HG23 VAL A 42 -14.032 7.829 -7.339 1.00 1.28 H new ATOM 668 N THR A 43 -14.352 5.626 -8.749 1.00 1.43 N ATOM 669 CA THR A 43 -15.501 5.272 -9.563 1.00 1.73 C ATOM 670 C THR A 43 -15.355 3.858 -10.147 1.00 1.82 C ATOM 671 O THR A 43 -16.281 3.054 -10.072 1.00 2.04 O ATOM 672 CB THR A 43 -15.619 6.343 -10.655 1.00 1.94 C ATOM 673 OG1 THR A 43 -15.812 7.605 -10.048 1.00 1.96 O ATOM 674 CG2 THR A 43 -16.784 6.089 -11.615 1.00 2.32 C ATOM 0 H THR A 43 -13.836 6.429 -9.109 1.00 1.43 H new ATOM 0 HA THR A 43 -16.412 5.247 -8.965 1.00 1.73 H new ATOM 0 HB THR A 43 -14.696 6.311 -11.233 1.00 1.94 H new ATOM 0 HG1 THR A 43 -14.943 8.034 -9.903 1.00 1.96 H new ATOM 0 HG21 THR A 43 -16.816 6.879 -12.365 1.00 2.32 H new ATOM 0 HG22 THR A 43 -16.646 5.127 -12.108 1.00 2.32 H new ATOM 0 HG23 THR A 43 -17.720 6.080 -11.057 1.00 2.32 H new ATOM 682 N GLN A 44 -14.208 3.571 -10.768 1.00 1.72 N ATOM 683 CA GLN A 44 -13.968 2.390 -11.584 1.00 1.88 C ATOM 684 C GLN A 44 -14.085 1.099 -10.766 1.00 1.78 C ATOM 685 O GLN A 44 -14.812 0.192 -11.164 1.00 1.88 O ATOM 686 CB GLN A 44 -12.604 2.530 -12.289 1.00 2.07 C ATOM 687 CG GLN A 44 -12.199 1.262 -13.054 1.00 2.68 C ATOM 688 CD GLN A 44 -10.843 1.420 -13.727 1.00 2.89 C ATOM 689 OE1 GLN A 44 -10.738 1.359 -14.947 1.00 2.77 O ATOM 690 NE2 GLN A 44 -9.797 1.642 -12.937 1.00 3.71 N ATOM 0 H GLN A 44 -13.393 4.182 -10.711 1.00 1.72 H new ATOM 0 HA GLN A 44 -14.741 2.318 -12.349 1.00 1.88 H new ATOM 0 HB2 GLN A 44 -12.642 3.371 -12.982 1.00 2.07 H new ATOM 0 HB3 GLN A 44 -11.839 2.762 -11.548 1.00 2.07 H new ATOM 0 HG2 GLN A 44 -12.168 0.417 -12.367 1.00 2.68 H new ATOM 0 HG3 GLN A 44 -12.954 1.034 -13.806 1.00 2.68 H new ATOM 0 HE21 GLN A 44 -9.922 1.686 -11.926 1.00 3.71 H new ATOM 0 HE22 GLN A 44 -8.869 1.768 -13.342 1.00 3.71 H new ATOM 699 N GLN A 45 -13.343 0.983 -9.659 1.00 1.72 N ATOM 700 CA GLN A 45 -13.347 -0.233 -8.844 1.00 1.81 C ATOM 701 C GLN A 45 -13.090 0.110 -7.377 1.00 1.74 C ATOM 702 O GLN A 45 -12.063 -0.280 -6.830 1.00 2.83 O ATOM 703 CB GLN A 45 -12.269 -1.229 -9.314 1.00 2.37 C ATOM 704 CG GLN A 45 -12.567 -2.116 -10.530 1.00 2.77 C ATOM 705 CD GLN A 45 -11.470 -3.177 -10.678 1.00 3.51 C ATOM 706 OE1 GLN A 45 -10.553 -3.246 -9.860 1.00 4.36 O ATOM 707 NE2 GLN A 45 -11.566 -4.031 -11.695 1.00 4.04 N ATOM 0 H GLN A 45 -12.731 1.720 -9.308 1.00 1.72 H new ATOM 0 HA GLN A 45 -14.328 -0.694 -8.955 1.00 1.81 H new ATOM 0 HB2 GLN A 45 -11.366 -0.660 -9.533 1.00 2.37 H new ATOM 0 HB3 GLN A 45 -12.036 -1.885 -8.475 1.00 2.37 H new ATOM 0 HG2 GLN A 45 -13.538 -2.597 -10.412 1.00 2.77 H new ATOM 0 HG3 GLN A 45 -12.621 -1.507 -11.432 1.00 2.77 H new ATOM 0 HE21 GLN A 45 -12.337 -3.950 -12.358 1.00 4.04 H new ATOM 0 HE22 GLN A 45 -10.869 -4.766 -11.811 1.00 4.04 H new ATOM 716 N LEU A 46 -14.013 0.810 -6.715 1.00 1.29 N ATOM 717 CA LEU A 46 -13.888 1.041 -5.278 1.00 1.08 C ATOM 718 C LEU A 46 -15.232 1.300 -4.563 1.00 1.24 C ATOM 719 O LEU A 46 -15.241 2.014 -3.557 1.00 1.88 O ATOM 720 CB LEU A 46 -12.899 2.210 -5.110 1.00 0.96 C ATOM 721 CG LEU A 46 -11.802 2.014 -4.057 1.00 1.04 C ATOM 722 CD1 LEU A 46 -10.840 0.873 -4.422 1.00 1.56 C ATOM 723 CD2 LEU A 46 -11.009 3.320 -4.002 1.00 1.48 C ATOM 0 H LEU A 46 -14.842 1.220 -7.144 1.00 1.29 H new ATOM 0 HA LEU A 46 -13.519 0.137 -4.794 1.00 1.08 H new ATOM 0 HB2 LEU A 46 -12.422 2.398 -6.072 1.00 0.96 H new ATOM 0 HB3 LEU A 46 -13.465 3.106 -4.854 1.00 0.96 H new ATOM 0 HG LEU A 46 -12.263 1.757 -3.103 1.00 1.04 H new ATOM 0 HD11 LEU A 46 -10.082 0.774 -3.645 1.00 1.56 H new ATOM 0 HD12 LEU A 46 -11.397 -0.060 -4.506 1.00 1.56 H new ATOM 0 HD13 LEU A 46 -10.358 1.094 -5.374 1.00 1.56 H new ATOM 0 HD21 LEU A 46 -10.212 3.231 -3.263 1.00 1.48 H new ATOM 0 HD22 LEU A 46 -10.575 3.524 -4.981 1.00 1.48 H new ATOM 0 HD23 LEU A 46 -11.673 4.138 -3.722 1.00 1.48 H new ATOM 735 N PRO A 47 -16.372 0.756 -5.042 1.00 0.94 N ATOM 736 CA PRO A 47 -17.696 1.183 -4.610 1.00 1.19 C ATOM 737 C PRO A 47 -17.958 0.905 -3.130 1.00 1.25 C ATOM 738 O PRO A 47 -18.493 1.760 -2.429 1.00 1.76 O ATOM 739 CB PRO A 47 -18.689 0.422 -5.496 1.00 1.35 C ATOM 740 CG PRO A 47 -17.926 -0.843 -5.883 1.00 1.26 C ATOM 741 CD PRO A 47 -16.500 -0.315 -6.022 1.00 0.99 C ATOM 0 HA PRO A 47 -17.796 2.263 -4.714 1.00 1.19 H new ATOM 0 HB2 PRO A 47 -19.608 0.188 -4.959 1.00 1.35 H new ATOM 0 HB3 PRO A 47 -18.972 1.004 -6.373 1.00 1.35 H new ATOM 0 HG2 PRO A 47 -18.003 -1.617 -5.119 1.00 1.26 H new ATOM 0 HG3 PRO A 47 -18.295 -1.275 -6.813 1.00 1.26 H new ATOM 0 HD2 PRO A 47 -15.772 -1.104 -5.835 1.00 0.99 H new ATOM 0 HD3 PRO A 47 -16.317 0.055 -7.031 1.00 0.99 H new ATOM 749 N HIS A 48 -17.628 -0.298 -2.658 1.00 1.17 N ATOM 750 CA HIS A 48 -17.835 -0.668 -1.267 1.00 1.37 C ATOM 751 C HIS A 48 -16.703 -0.071 -0.434 1.00 1.17 C ATOM 752 O HIS A 48 -16.920 0.479 0.652 1.00 1.63 O ATOM 753 CB HIS A 48 -17.880 -2.200 -1.158 1.00 1.71 C ATOM 754 CG HIS A 48 -17.812 -2.727 0.254 1.00 2.77 C ATOM 755 ND1 HIS A 48 -17.020 -3.769 0.676 1.00 4.37 N ATOM 756 CD2 HIS A 48 -18.449 -2.221 1.355 1.00 3.02 C ATOM 757 CE1 HIS A 48 -17.169 -3.875 2.005 1.00 5.16 C ATOM 758 NE2 HIS A 48 -18.030 -2.954 2.472 1.00 4.32 N ATOM 0 H HIS A 48 -17.213 -1.035 -3.228 1.00 1.17 H new ATOM 0 HA HIS A 48 -18.781 -0.279 -0.890 1.00 1.37 H new ATOM 0 HB2 HIS A 48 -18.799 -2.558 -1.623 1.00 1.71 H new ATOM 0 HB3 HIS A 48 -17.050 -2.617 -1.729 1.00 1.71 H new ATOM 0 HD1 HIS A 48 -16.428 -4.354 0.087 1.00 4.37 H new ATOM 0 HD2 HIS A 48 -19.151 -1.401 1.361 1.00 3.02 H new ATOM 0 HE1 HIS A 48 -16.663 -4.605 2.620 1.00 5.16 H new ATOM 766 N LEU A 49 -15.480 -0.223 -0.938 1.00 1.13 N ATOM 767 CA LEU A 49 -14.271 0.060 -0.191 1.00 1.08 C ATOM 768 C LEU A 49 -14.130 1.547 0.127 1.00 1.14 C ATOM 769 O LEU A 49 -13.844 1.876 1.274 1.00 1.55 O ATOM 770 CB LEU A 49 -13.112 -0.509 -0.988 1.00 1.26 C ATOM 771 CG LEU A 49 -11.853 -0.843 -0.198 1.00 1.19 C ATOM 772 CD1 LEU A 49 -11.954 -2.277 0.332 1.00 1.26 C ATOM 773 CD2 LEU A 49 -10.645 -0.775 -1.129 1.00 1.28 C ATOM 0 H LEU A 49 -15.306 -0.550 -1.888 1.00 1.13 H new ATOM 0 HA LEU A 49 -14.297 -0.415 0.790 1.00 1.08 H new ATOM 0 HB2 LEU A 49 -13.453 -1.415 -1.489 1.00 1.26 H new ATOM 0 HB3 LEU A 49 -12.848 0.206 -1.767 1.00 1.26 H new ATOM 0 HG LEU A 49 -11.747 -0.136 0.625 1.00 1.19 H new ATOM 0 HD11 LEU A 49 -11.055 -2.520 0.898 1.00 1.26 H new ATOM 0 HD12 LEU A 49 -12.826 -2.365 0.981 1.00 1.26 H new ATOM 0 HD13 LEU A 49 -12.054 -2.968 -0.505 1.00 1.26 H new ATOM 0 HD21 LEU A 49 -9.740 -1.013 -0.569 1.00 1.28 H new ATOM 0 HD22 LEU A 49 -10.770 -1.493 -1.940 1.00 1.28 H new ATOM 0 HD23 LEU A 49 -10.561 0.230 -1.544 1.00 1.28 H new ATOM 785 N LEU A 50 -14.386 2.446 -0.830 1.00 1.27 N ATOM 786 CA LEU A 50 -14.585 3.867 -0.551 1.00 1.43 C ATOM 787 C LEU A 50 -15.873 4.343 -1.212 1.00 1.75 C ATOM 788 O LEU A 50 -15.858 5.070 -2.204 1.00 2.57 O ATOM 789 CB LEU A 50 -13.375 4.707 -0.974 1.00 1.27 C ATOM 790 CG LEU A 50 -12.115 4.337 -0.180 1.00 1.20 C ATOM 791 CD1 LEU A 50 -10.907 5.097 -0.739 1.00 1.09 C ATOM 792 CD2 LEU A 50 -12.214 4.708 1.308 1.00 1.48 C ATOM 0 H LEU A 50 -14.460 2.206 -1.819 1.00 1.27 H new ATOM 0 HA LEU A 50 -14.681 4.001 0.526 1.00 1.43 H new ATOM 0 HB2 LEU A 50 -13.188 4.564 -2.038 1.00 1.27 H new ATOM 0 HB3 LEU A 50 -13.598 5.764 -0.829 1.00 1.27 H new ATOM 0 HG LEU A 50 -12.007 3.257 -0.275 1.00 1.20 H new ATOM 0 HD11 LEU A 50 -10.015 4.831 -0.172 1.00 1.09 H new ATOM 0 HD12 LEU A 50 -10.763 4.832 -1.786 1.00 1.09 H new ATOM 0 HD13 LEU A 50 -11.082 6.170 -0.657 1.00 1.09 H new ATOM 0 HD21 LEU A 50 -11.293 4.422 1.816 1.00 1.48 H new ATOM 0 HD22 LEU A 50 -12.363 5.783 1.406 1.00 1.48 H new ATOM 0 HD23 LEU A 50 -13.056 4.182 1.759 1.00 1.48 H new ATOM 804 N LYS A 51 -16.997 3.960 -0.605 1.00 1.71 N ATOM 805 CA LYS A 51 -18.283 4.571 -0.915 1.00 1.83 C ATOM 806 C LYS A 51 -18.203 6.083 -0.686 1.00 1.81 C ATOM 807 O LYS A 51 -17.372 6.548 0.091 1.00 2.07 O ATOM 808 CB LYS A 51 -19.413 3.912 -0.106 1.00 2.03 C ATOM 809 CG LYS A 51 -19.438 4.274 1.391 1.00 2.08 C ATOM 810 CD LYS A 51 -20.212 5.552 1.779 1.00 3.01 C ATOM 811 CE LYS A 51 -21.716 5.480 1.469 1.00 4.29 C ATOM 812 NZ LYS A 51 -22.419 6.720 1.862 1.00 5.30 N ATOM 0 H LYS A 51 -17.039 3.228 0.104 1.00 1.71 H new ATOM 0 HA LYS A 51 -18.520 4.406 -1.966 1.00 1.83 H new ATOM 0 HB2 LYS A 51 -20.368 4.194 -0.549 1.00 2.03 H new ATOM 0 HB3 LYS A 51 -19.324 2.830 -0.201 1.00 2.03 H new ATOM 0 HG2 LYS A 51 -19.869 3.435 1.937 1.00 2.08 H new ATOM 0 HG3 LYS A 51 -18.409 4.382 1.733 1.00 2.08 H new ATOM 0 HD2 LYS A 51 -20.078 5.738 2.845 1.00 3.01 H new ATOM 0 HD3 LYS A 51 -19.781 6.402 1.250 1.00 3.01 H new ATOM 0 HE2 LYS A 51 -21.859 5.304 0.403 1.00 4.29 H new ATOM 0 HE3 LYS A 51 -22.155 4.632 1.994 1.00 4.29 H new ATOM 0 HZ1 LYS A 51 -23.430 6.632 1.637 1.00 5.30 H new ATOM 0 HZ2 LYS A 51 -22.304 6.875 2.884 1.00 5.30 H new ATOM 0 HZ3 LYS A 51 -22.018 7.526 1.342 1.00 5.30 H new ATOM 826 N ASP A 52 -19.096 6.831 -1.340 1.00 2.38 N ATOM 827 CA ASP A 52 -18.987 8.274 -1.507 1.00 2.53 C ATOM 828 C ASP A 52 -17.711 8.585 -2.282 1.00 2.20 C ATOM 829 O ASP A 52 -16.725 9.118 -1.776 1.00 2.28 O ATOM 830 CB ASP A 52 -19.129 9.092 -0.215 1.00 2.92 C ATOM 831 CG ASP A 52 -18.950 10.587 -0.491 1.00 3.57 C ATOM 832 OD1 ASP A 52 -19.034 10.990 -1.676 1.00 4.77 O ATOM 833 OD2 ASP A 52 -18.725 11.316 0.494 1.00 3.81 O ATOM 0 H ASP A 52 -19.930 6.438 -1.775 1.00 2.38 H new ATOM 0 HA ASP A 52 -19.851 8.602 -2.085 1.00 2.53 H new ATOM 0 HB2 ASP A 52 -20.110 8.915 0.226 1.00 2.92 H new ATOM 0 HB3 ASP A 52 -18.388 8.761 0.513 1.00 2.92 H new ATOM 838 N VAL A 53 -17.802 8.291 -3.575 1.00 2.06 N ATOM 839 CA VAL A 53 -16.885 8.793 -4.576 1.00 1.83 C ATOM 840 C VAL A 53 -17.205 10.259 -4.916 1.00 1.82 C ATOM 841 O VAL A 53 -16.590 10.819 -5.827 1.00 2.00 O ATOM 842 CB VAL A 53 -16.942 7.881 -5.815 1.00 1.85 C ATOM 843 CG1 VAL A 53 -16.668 6.420 -5.432 1.00 2.32 C ATOM 844 CG2 VAL A 53 -18.277 7.961 -6.570 1.00 2.45 C ATOM 0 H VAL A 53 -18.530 7.687 -3.957 1.00 2.06 H new ATOM 0 HA VAL A 53 -15.866 8.777 -4.189 1.00 1.83 H new ATOM 0 HB VAL A 53 -16.164 8.247 -6.485 1.00 1.85 H new ATOM 0 HG11 VAL A 53 -16.714 5.795 -6.324 1.00 2.32 H new ATOM 0 HG12 VAL A 53 -15.677 6.341 -4.984 1.00 2.32 H new ATOM 0 HG13 VAL A 53 -17.418 6.085 -4.716 1.00 2.32 H new ATOM 0 HG21 VAL A 53 -18.248 7.294 -7.431 1.00 2.45 H new ATOM 0 HG22 VAL A 53 -19.089 7.663 -5.907 1.00 2.45 H new ATOM 0 HG23 VAL A 53 -18.443 8.984 -6.909 1.00 2.45 H new ATOM 854 N GLY A 54 -18.167 10.892 -4.229 1.00 1.76 N ATOM 855 CA GLY A 54 -18.549 12.270 -4.450 1.00 1.90 C ATOM 856 C GLY A 54 -17.513 13.155 -3.781 1.00 1.78 C ATOM 857 O GLY A 54 -16.743 13.817 -4.493 1.00 1.92 O ATOM 0 H GLY A 54 -18.705 10.439 -3.491 1.00 1.76 H new ATOM 0 HA2 GLY A 54 -18.602 12.485 -5.517 1.00 1.90 H new ATOM 0 HA3 GLY A 54 -19.539 12.462 -4.037 1.00 1.90 H new ATOM 861 N SER A 55 -17.457 13.110 -2.440 1.00 1.70 N ATOM 862 CA SER A 55 -16.508 13.869 -1.625 1.00 1.64 C ATOM 863 C SER A 55 -15.122 13.222 -1.686 1.00 1.51 C ATOM 864 O SER A 55 -14.557 12.738 -0.700 1.00 1.79 O ATOM 865 CB SER A 55 -17.005 14.056 -0.186 1.00 1.79 C ATOM 866 OG SER A 55 -16.116 14.893 0.538 1.00 1.90 O ATOM 0 H SER A 55 -18.086 12.531 -1.885 1.00 1.70 H new ATOM 0 HA SER A 55 -16.426 14.872 -2.043 1.00 1.64 H new ATOM 0 HB2 SER A 55 -18.003 14.494 -0.193 1.00 1.79 H new ATOM 0 HB3 SER A 55 -17.086 13.087 0.307 1.00 1.79 H new ATOM 0 HG SER A 55 -15.621 15.463 -0.087 1.00 1.90 H new ATOM 872 N LEU A 56 -14.589 13.226 -2.900 1.00 1.27 N ATOM 873 CA LEU A 56 -13.270 12.800 -3.290 1.00 1.17 C ATOM 874 C LEU A 56 -12.274 13.904 -2.909 1.00 1.11 C ATOM 875 O LEU A 56 -11.141 13.619 -2.532 1.00 1.06 O ATOM 876 CB LEU A 56 -13.399 12.542 -4.800 1.00 1.17 C ATOM 877 CG LEU A 56 -12.236 11.863 -5.522 1.00 1.20 C ATOM 878 CD1 LEU A 56 -11.174 12.876 -5.952 1.00 1.15 C ATOM 879 CD2 LEU A 56 -11.649 10.738 -4.682 1.00 1.31 C ATOM 0 H LEU A 56 -15.124 13.559 -3.702 1.00 1.27 H new ATOM 0 HA LEU A 56 -12.898 11.901 -2.799 1.00 1.17 H new ATOM 0 HB2 LEU A 56 -14.289 11.933 -4.958 1.00 1.17 H new ATOM 0 HB3 LEU A 56 -13.578 13.501 -5.287 1.00 1.17 H new ATOM 0 HG LEU A 56 -12.627 11.412 -6.434 1.00 1.20 H new ATOM 0 HD11 LEU A 56 -10.362 12.358 -6.462 1.00 1.15 H new ATOM 0 HD12 LEU A 56 -11.620 13.606 -6.628 1.00 1.15 H new ATOM 0 HD13 LEU A 56 -10.782 13.388 -5.073 1.00 1.15 H new ATOM 0 HD21 LEU A 56 -10.824 10.274 -5.222 1.00 1.31 H new ATOM 0 HD22 LEU A 56 -11.284 11.142 -3.738 1.00 1.31 H new ATOM 0 HD23 LEU A 56 -12.419 9.992 -4.484 1.00 1.31 H new ATOM 891 N ASP A 57 -12.737 15.159 -2.946 1.00 1.22 N ATOM 892 CA ASP A 57 -12.053 16.362 -2.490 1.00 1.36 C ATOM 893 C ASP A 57 -11.417 16.178 -1.108 1.00 1.43 C ATOM 894 O ASP A 57 -10.236 16.461 -0.914 1.00 1.46 O ATOM 895 CB ASP A 57 -13.058 17.529 -2.491 1.00 1.70 C ATOM 896 CG ASP A 57 -14.180 17.403 -1.457 1.00 3.01 C ATOM 897 OD1 ASP A 57 -14.597 16.249 -1.189 1.00 4.12 O ATOM 898 OD2 ASP A 57 -14.582 18.458 -0.930 1.00 3.84 O ATOM 0 H ASP A 57 -13.662 15.369 -3.322 1.00 1.22 H new ATOM 0 HA ASP A 57 -11.232 16.580 -3.173 1.00 1.36 H new ATOM 0 HB2 ASP A 57 -12.517 18.458 -2.310 1.00 1.70 H new ATOM 0 HB3 ASP A 57 -13.503 17.608 -3.483 1.00 1.70 H new ATOM 903 N GLU A 58 -12.194 15.699 -0.140 1.00 1.53 N ATOM 904 CA GLU A 58 -11.725 15.470 1.213 1.00 1.66 C ATOM 905 C GLU A 58 -10.508 14.543 1.180 1.00 1.45 C ATOM 906 O GLU A 58 -9.444 14.878 1.705 1.00 1.47 O ATOM 907 CB GLU A 58 -12.886 14.910 2.043 1.00 1.88 C ATOM 908 CG GLU A 58 -12.427 14.465 3.435 1.00 1.88 C ATOM 909 CD GLU A 58 -13.590 14.028 4.304 1.00 2.29 C ATOM 910 OE1 GLU A 58 -14.224 12.985 3.998 1.00 2.92 O ATOM 911 OE2 GLU A 58 -13.837 14.701 5.326 1.00 2.91 O ATOM 0 H GLU A 58 -13.175 15.458 -0.280 1.00 1.53 H new ATOM 0 HA GLU A 58 -11.400 16.397 1.684 1.00 1.66 H new ATOM 0 HB2 GLU A 58 -13.662 15.669 2.142 1.00 1.88 H new ATOM 0 HB3 GLU A 58 -13.332 14.064 1.520 1.00 1.88 H new ATOM 0 HG2 GLU A 58 -11.718 13.643 3.337 1.00 1.88 H new ATOM 0 HG3 GLU A 58 -11.899 15.285 3.922 1.00 1.88 H new ATOM 918 N LYS A 59 -10.662 13.380 0.537 1.00 1.28 N ATOM 919 CA LYS A 59 -9.576 12.422 0.432 1.00 1.14 C ATOM 920 C LYS A 59 -8.376 13.096 -0.237 1.00 1.05 C ATOM 921 O LYS A 59 -7.268 13.009 0.280 1.00 1.07 O ATOM 922 CB LYS A 59 -9.991 11.154 -0.330 1.00 1.06 C ATOM 923 CG LYS A 59 -10.852 10.139 0.444 1.00 1.50 C ATOM 924 CD LYS A 59 -12.361 10.435 0.450 1.00 2.06 C ATOM 925 CE LYS A 59 -12.813 11.096 1.763 1.00 2.43 C ATOM 926 NZ LYS A 59 -14.204 11.601 1.718 1.00 3.30 N ATOM 0 H LYS A 59 -11.529 13.088 0.086 1.00 1.28 H new ATOM 0 HA LYS A 59 -9.303 12.101 1.437 1.00 1.14 H new ATOM 0 HB2 LYS A 59 -10.539 11.456 -1.222 1.00 1.06 H new ATOM 0 HB3 LYS A 59 -9.087 10.647 -0.668 1.00 1.06 H new ATOM 0 HG2 LYS A 59 -10.693 9.150 0.015 1.00 1.50 H new ATOM 0 HG3 LYS A 59 -10.501 10.100 1.475 1.00 1.50 H new ATOM 0 HD2 LYS A 59 -12.606 11.088 -0.388 1.00 2.06 H new ATOM 0 HD3 LYS A 59 -12.913 9.507 0.302 1.00 2.06 H new ATOM 0 HE2 LYS A 59 -12.722 10.374 2.575 1.00 2.43 H new ATOM 0 HE3 LYS A 59 -12.141 11.923 1.995 1.00 2.43 H new ATOM 0 HZ1 LYS A 59 -14.429 12.079 2.614 1.00 3.30 H new ATOM 0 HZ2 LYS A 59 -14.304 12.274 0.932 1.00 3.30 H new ATOM 0 HZ3 LYS A 59 -14.858 10.805 1.577 1.00 3.30 H new ATOM 940 N MET A 60 -8.596 13.780 -1.366 1.00 1.03 N ATOM 941 CA MET A 60 -7.555 14.487 -2.104 1.00 1.02 C ATOM 942 C MET A 60 -6.740 15.358 -1.151 1.00 1.14 C ATOM 943 O MET A 60 -5.518 15.252 -1.115 1.00 1.12 O ATOM 944 CB MET A 60 -8.178 15.326 -3.232 1.00 1.09 C ATOM 945 CG MET A 60 -7.137 16.069 -4.080 1.00 1.07 C ATOM 946 SD MET A 60 -7.793 17.529 -4.925 1.00 2.32 S ATOM 947 CE MET A 60 -6.275 18.160 -5.670 1.00 1.81 C ATOM 0 H MET A 60 -9.518 13.856 -1.795 1.00 1.03 H new ATOM 0 HA MET A 60 -6.882 13.761 -2.560 1.00 1.02 H new ATOM 0 HB2 MET A 60 -8.765 14.674 -3.879 1.00 1.09 H new ATOM 0 HB3 MET A 60 -8.868 16.050 -2.799 1.00 1.09 H new ATOM 0 HG2 MET A 60 -6.309 16.373 -3.439 1.00 1.07 H new ATOM 0 HG3 MET A 60 -6.730 15.383 -4.823 1.00 1.07 H new ATOM 0 HE1 MET A 60 -6.496 19.066 -6.234 1.00 1.81 H new ATOM 0 HE2 MET A 60 -5.552 18.387 -4.886 1.00 1.81 H new ATOM 0 HE3 MET A 60 -5.859 17.408 -6.340 1.00 1.81 H new ATOM 957 N LYS A 61 -7.413 16.217 -0.385 1.00 1.28 N ATOM 958 CA LYS A 61 -6.738 17.121 0.533 1.00 1.42 C ATOM 959 C LYS A 61 -5.927 16.342 1.574 1.00 1.38 C ATOM 960 O LYS A 61 -4.774 16.681 1.828 1.00 1.39 O ATOM 961 CB LYS A 61 -7.756 18.075 1.169 1.00 1.61 C ATOM 962 CG LYS A 61 -8.358 19.010 0.106 1.00 1.97 C ATOM 963 CD LYS A 61 -9.556 19.804 0.648 1.00 2.39 C ATOM 964 CE LYS A 61 -9.196 20.762 1.794 1.00 2.52 C ATOM 965 NZ LYS A 61 -8.249 21.817 1.376 1.00 3.13 N ATOM 0 H LYS A 61 -8.429 16.302 -0.386 1.00 1.28 H new ATOM 0 HA LYS A 61 -6.022 17.728 -0.021 1.00 1.42 H new ATOM 0 HB2 LYS A 61 -8.550 17.502 1.649 1.00 1.61 H new ATOM 0 HB3 LYS A 61 -7.273 18.664 1.948 1.00 1.61 H new ATOM 0 HG2 LYS A 61 -7.592 19.703 -0.243 1.00 1.97 H new ATOM 0 HG3 LYS A 61 -8.673 18.423 -0.757 1.00 1.97 H new ATOM 0 HD2 LYS A 61 -9.999 20.377 -0.167 1.00 2.39 H new ATOM 0 HD3 LYS A 61 -10.316 19.105 0.996 1.00 2.39 H new ATOM 0 HE2 LYS A 61 -10.106 21.226 2.175 1.00 2.52 H new ATOM 0 HE3 LYS A 61 -8.761 20.193 2.615 1.00 2.52 H new ATOM 0 HZ1 LYS A 61 -8.092 22.475 2.166 1.00 3.13 H new ATOM 0 HZ2 LYS A 61 -7.345 21.383 1.102 1.00 3.13 H new ATOM 0 HZ3 LYS A 61 -8.643 22.336 0.566 1.00 3.13 H new ATOM 979 N SER A 62 -6.505 15.297 2.173 1.00 1.36 N ATOM 980 CA SER A 62 -5.790 14.463 3.136 1.00 1.37 C ATOM 981 C SER A 62 -4.556 13.786 2.518 1.00 1.32 C ATOM 982 O SER A 62 -3.511 13.669 3.159 1.00 1.42 O ATOM 983 CB SER A 62 -6.754 13.416 3.702 1.00 1.40 C ATOM 984 OG SER A 62 -7.880 14.074 4.252 1.00 2.41 O ATOM 0 H SER A 62 -7.469 15.010 2.005 1.00 1.36 H new ATOM 0 HA SER A 62 -5.424 15.104 3.938 1.00 1.37 H new ATOM 0 HB2 SER A 62 -7.067 12.729 2.916 1.00 1.40 H new ATOM 0 HB3 SER A 62 -6.256 12.820 4.467 1.00 1.40 H new ATOM 0 HG SER A 62 -8.502 14.313 3.534 1.00 2.41 H new ATOM 990 N LEU A 63 -4.692 13.292 1.288 1.00 1.24 N ATOM 991 CA LEU A 63 -3.656 12.551 0.586 1.00 1.26 C ATOM 992 C LEU A 63 -2.518 13.477 0.167 1.00 1.23 C ATOM 993 O LEU A 63 -1.353 13.217 0.471 1.00 1.25 O ATOM 994 CB LEU A 63 -4.263 11.891 -0.657 1.00 1.28 C ATOM 995 CG LEU A 63 -5.246 10.761 -0.328 1.00 1.45 C ATOM 996 CD1 LEU A 63 -6.175 10.520 -1.517 1.00 1.43 C ATOM 997 CD2 LEU A 63 -4.498 9.466 -0.033 1.00 1.84 C ATOM 0 H LEU A 63 -5.547 13.401 0.743 1.00 1.24 H new ATOM 0 HA LEU A 63 -3.254 11.790 1.255 1.00 1.26 H new ATOM 0 HB2 LEU A 63 -4.777 12.649 -1.247 1.00 1.28 H new ATOM 0 HB3 LEU A 63 -3.460 11.494 -1.278 1.00 1.28 H new ATOM 0 HG LEU A 63 -5.821 11.058 0.549 1.00 1.45 H new ATOM 0 HD11 LEU A 63 -6.871 9.716 -1.278 1.00 1.43 H new ATOM 0 HD12 LEU A 63 -6.733 11.431 -1.733 1.00 1.43 H new ATOM 0 HD13 LEU A 63 -5.584 10.241 -2.389 1.00 1.43 H new ATOM 0 HD21 LEU A 63 -5.214 8.677 0.198 1.00 1.84 H new ATOM 0 HD22 LEU A 63 -3.910 9.179 -0.905 1.00 1.84 H new ATOM 0 HD23 LEU A 63 -3.835 9.615 0.819 1.00 1.84 H new ATOM 1009 N ASP A 64 -2.858 14.526 -0.584 1.00 1.20 N ATOM 1010 CA ASP A 64 -1.891 15.386 -1.236 1.00 1.17 C ATOM 1011 C ASP A 64 -1.238 16.304 -0.207 1.00 1.19 C ATOM 1012 O ASP A 64 -1.647 17.450 -0.038 1.00 1.34 O ATOM 1013 CB ASP A 64 -2.540 16.170 -2.379 1.00 1.17 C ATOM 1014 CG ASP A 64 -1.427 16.569 -3.314 1.00 1.23 C ATOM 1015 OD1 ASP A 64 -0.679 17.533 -3.053 1.00 1.59 O ATOM 1016 OD2 ASP A 64 -1.098 15.782 -4.220 1.00 2.42 O ATOM 0 H ASP A 64 -3.826 14.799 -0.753 1.00 1.20 H new ATOM 0 HA ASP A 64 -1.108 14.772 -1.681 1.00 1.17 H new ATOM 0 HB2 ASP A 64 -3.280 15.560 -2.896 1.00 1.17 H new ATOM 0 HB3 ASP A 64 -3.061 17.049 -1.999 1.00 1.17 H new ATOM 1021 N VAL A 65 -0.228 15.787 0.492 1.00 1.16 N ATOM 1022 CA VAL A 65 0.437 16.459 1.604 1.00 1.29 C ATOM 1023 C VAL A 65 0.762 17.932 1.324 1.00 1.38 C ATOM 1024 O VAL A 65 0.633 18.763 2.220 1.00 1.55 O ATOM 1025 CB VAL A 65 1.692 15.678 2.039 1.00 1.34 C ATOM 1026 CG1 VAL A 65 1.316 14.308 2.613 1.00 1.67 C ATOM 1027 CG2 VAL A 65 2.712 15.485 0.907 1.00 1.45 C ATOM 0 H VAL A 65 0.159 14.864 0.294 1.00 1.16 H new ATOM 0 HA VAL A 65 -0.275 16.468 2.430 1.00 1.29 H new ATOM 0 HB VAL A 65 2.164 16.290 2.808 1.00 1.34 H new ATOM 0 HG11 VAL A 65 2.220 13.778 2.912 1.00 1.67 H new ATOM 0 HG12 VAL A 65 0.670 14.442 3.481 1.00 1.67 H new ATOM 0 HG13 VAL A 65 0.790 13.728 1.855 1.00 1.67 H new ATOM 0 HG21 VAL A 65 3.571 14.928 1.282 1.00 1.45 H new ATOM 0 HG22 VAL A 65 2.249 14.932 0.090 1.00 1.45 H new ATOM 0 HG23 VAL A 65 3.042 16.459 0.544 1.00 1.45 H new ATOM 1037 N ASN A 66 1.203 18.256 0.102 1.00 1.35 N ATOM 1038 CA ASN A 66 1.577 19.615 -0.282 1.00 1.53 C ATOM 1039 C ASN A 66 0.454 20.359 -1.018 1.00 1.58 C ATOM 1040 O ASN A 66 0.609 21.541 -1.310 1.00 1.80 O ATOM 1041 CB ASN A 66 2.881 19.597 -1.090 1.00 1.56 C ATOM 1042 CG ASN A 66 2.738 18.929 -2.454 1.00 1.59 C ATOM 1043 OD1 ASN A 66 2.054 17.917 -2.609 1.00 1.43 O ATOM 1044 ND2 ASN A 66 3.398 19.463 -3.472 1.00 2.61 N ATOM 0 H ASN A 66 1.310 17.575 -0.650 1.00 1.35 H new ATOM 0 HA ASN A 66 1.747 20.179 0.635 1.00 1.53 H new ATOM 0 HB2 ASN A 66 3.228 20.621 -1.229 1.00 1.56 H new ATOM 0 HB3 ASN A 66 3.648 19.076 -0.517 1.00 1.56 H new ATOM 0 HD21 ASN A 66 3.342 19.035 -4.396 1.00 2.61 H new ATOM 0 HD22 ASN A 66 3.961 20.302 -3.331 1.00 2.61 H new ATOM 1051 N GLN A 67 -0.669 19.692 -1.303 1.00 1.49 N ATOM 1052 CA GLN A 67 -1.853 20.235 -1.951 1.00 1.64 C ATOM 1053 C GLN A 67 -1.490 20.968 -3.246 1.00 1.69 C ATOM 1054 O GLN A 67 -1.918 22.097 -3.480 1.00 1.94 O ATOM 1055 CB GLN A 67 -2.661 21.082 -0.953 1.00 1.88 C ATOM 1056 CG GLN A 67 -4.128 21.219 -1.393 1.00 2.35 C ATOM 1057 CD GLN A 67 -4.920 22.117 -0.452 1.00 2.55 C ATOM 1058 OE1 GLN A 67 -5.893 21.693 0.172 1.00 3.05 O ATOM 1059 NE2 GLN A 67 -4.525 23.383 -0.350 1.00 3.31 N ATOM 0 H GLN A 67 -0.776 18.704 -1.072 1.00 1.49 H new ATOM 0 HA GLN A 67 -2.507 19.419 -2.260 1.00 1.64 H new ATOM 0 HB2 GLN A 67 -2.617 20.624 0.035 1.00 1.88 H new ATOM 0 HB3 GLN A 67 -2.212 22.071 -0.866 1.00 1.88 H new ATOM 0 HG2 GLN A 67 -4.168 21.626 -2.403 1.00 2.35 H new ATOM 0 HG3 GLN A 67 -4.590 20.233 -1.429 1.00 2.35 H new ATOM 0 HE21 GLN A 67 -3.715 23.709 -0.878 1.00 3.31 H new ATOM 0 HE22 GLN A 67 -5.032 24.028 0.256 1.00 3.31 H new ATOM 1068 N ASP A 68 -0.709 20.297 -4.097 1.00 1.53 N ATOM 1069 CA ASP A 68 -0.315 20.813 -5.411 1.00 1.55 C ATOM 1070 C ASP A 68 -1.428 20.560 -6.438 1.00 1.63 C ATOM 1071 O ASP A 68 -1.751 21.439 -7.233 1.00 2.28 O ATOM 1072 CB ASP A 68 1.046 20.233 -5.857 1.00 1.51 C ATOM 1073 CG ASP A 68 1.146 18.729 -5.703 1.00 1.44 C ATOM 1074 OD1 ASP A 68 0.100 18.066 -5.604 1.00 1.52 O ATOM 1075 OD2 ASP A 68 2.227 18.153 -5.456 1.00 1.39 O ATOM 0 H ASP A 68 -0.329 19.373 -3.892 1.00 1.53 H new ATOM 0 HA ASP A 68 -0.178 21.892 -5.337 1.00 1.55 H new ATOM 0 HB2 ASP A 68 1.218 20.495 -6.901 1.00 1.51 H new ATOM 0 HB3 ASP A 68 1.839 20.703 -5.276 1.00 1.51 H new ATOM 1080 N SER A 69 -2.019 19.363 -6.388 1.00 1.32 N ATOM 1081 CA SER A 69 -2.964 18.745 -7.326 1.00 1.30 C ATOM 1082 C SER A 69 -2.275 17.743 -8.265 1.00 1.14 C ATOM 1083 O SER A 69 -2.864 17.335 -9.268 1.00 1.17 O ATOM 1084 CB SER A 69 -3.819 19.749 -8.112 1.00 1.48 C ATOM 1085 OG SER A 69 -4.368 20.725 -7.248 1.00 1.74 O ATOM 0 H SER A 69 -1.828 18.736 -5.607 1.00 1.32 H new ATOM 0 HA SER A 69 -3.662 18.194 -6.695 1.00 1.30 H new ATOM 0 HB2 SER A 69 -3.210 20.234 -8.875 1.00 1.48 H new ATOM 0 HB3 SER A 69 -4.621 19.223 -8.631 1.00 1.48 H new ATOM 0 HG SER A 69 -3.694 21.411 -7.060 1.00 1.74 H new ATOM 1091 N GLU A 70 -1.060 17.315 -7.908 1.00 1.05 N ATOM 1092 CA GLU A 70 -0.407 16.129 -8.406 1.00 1.00 C ATOM 1093 C GLU A 70 -0.247 15.225 -7.194 1.00 0.98 C ATOM 1094 O GLU A 70 0.637 15.456 -6.366 1.00 0.96 O ATOM 1095 CB GLU A 70 1.000 16.426 -8.941 1.00 1.11 C ATOM 1096 CG GLU A 70 1.056 17.130 -10.301 1.00 1.27 C ATOM 1097 CD GLU A 70 2.454 17.029 -10.906 1.00 1.93 C ATOM 1098 OE1 GLU A 70 3.369 16.613 -10.155 1.00 2.89 O ATOM 1099 OE2 GLU A 70 2.583 17.299 -12.115 1.00 2.70 O ATOM 0 H GLU A 70 -0.489 17.820 -7.231 1.00 1.05 H new ATOM 0 HA GLU A 70 -0.991 15.697 -9.219 1.00 1.00 H new ATOM 0 HB2 GLU A 70 1.524 17.043 -8.211 1.00 1.11 H new ATOM 0 HB3 GLU A 70 1.547 15.486 -9.016 1.00 1.11 H new ATOM 0 HG2 GLU A 70 0.329 16.682 -10.978 1.00 1.27 H new ATOM 0 HG3 GLU A 70 0.780 18.178 -10.185 1.00 1.27 H new ATOM 1106 N LEU A 71 -1.018 14.149 -7.149 1.00 1.00 N ATOM 1107 CA LEU A 71 -0.832 13.077 -6.202 1.00 1.01 C ATOM 1108 C LEU A 71 0.320 12.296 -6.818 1.00 0.98 C ATOM 1109 O LEU A 71 0.116 11.408 -7.648 1.00 1.01 O ATOM 1110 CB LEU A 71 -2.095 12.195 -6.132 1.00 0.99 C ATOM 1111 CG LEU A 71 -3.318 12.761 -5.388 1.00 1.06 C ATOM 1112 CD1 LEU A 71 -3.093 12.755 -3.872 1.00 1.08 C ATOM 1113 CD2 LEU A 71 -3.761 14.143 -5.876 1.00 1.16 C ATOM 0 H LEU A 71 -1.802 14.000 -7.784 1.00 1.00 H new ATOM 0 HA LEU A 71 -0.641 13.419 -5.185 1.00 1.01 H new ATOM 0 HB2 LEU A 71 -2.400 11.963 -7.152 1.00 0.99 H new ATOM 0 HB3 LEU A 71 -1.821 11.252 -5.659 1.00 0.99 H new ATOM 0 HG LEU A 71 -4.143 12.089 -5.625 1.00 1.06 H new ATOM 0 HD11 LEU A 71 -3.973 13.160 -3.372 1.00 1.08 H new ATOM 0 HD12 LEU A 71 -2.922 11.733 -3.534 1.00 1.08 H new ATOM 0 HD13 LEU A 71 -2.224 13.368 -3.631 1.00 1.08 H new ATOM 0 HD21 LEU A 71 -4.628 14.471 -5.302 1.00 1.16 H new ATOM 0 HD22 LEU A 71 -2.946 14.855 -5.742 1.00 1.16 H new ATOM 0 HD23 LEU A 71 -4.025 14.089 -6.932 1.00 1.16 H new ATOM 1125 N LYS A 72 1.551 12.698 -6.492 1.00 0.98 N ATOM 1126 CA LYS A 72 2.721 11.995 -6.977 1.00 0.98 C ATOM 1127 C LYS A 72 2.639 10.569 -6.431 1.00 0.94 C ATOM 1128 O LYS A 72 2.127 10.374 -5.334 1.00 0.97 O ATOM 1129 CB LYS A 72 3.987 12.748 -6.534 1.00 1.18 C ATOM 1130 CG LYS A 72 5.188 12.509 -7.461 1.00 0.99 C ATOM 1131 CD LYS A 72 5.120 13.264 -8.804 1.00 2.05 C ATOM 1132 CE LYS A 72 5.710 14.686 -8.768 1.00 2.70 C ATOM 1133 NZ LYS A 72 4.797 15.705 -8.208 1.00 3.38 N ATOM 0 H LYS A 72 1.753 13.502 -5.898 1.00 0.98 H new ATOM 0 HA LYS A 72 2.764 11.948 -8.065 1.00 0.98 H new ATOM 0 HB2 LYS A 72 3.772 13.816 -6.496 1.00 1.18 H new ATOM 0 HB3 LYS A 72 4.250 12.440 -5.522 1.00 1.18 H new ATOM 0 HG2 LYS A 72 6.098 12.804 -6.939 1.00 0.99 H new ATOM 0 HG3 LYS A 72 5.268 11.441 -7.663 1.00 0.99 H new ATOM 0 HD2 LYS A 72 5.649 12.684 -9.560 1.00 2.05 H new ATOM 0 HD3 LYS A 72 4.079 13.324 -9.120 1.00 2.05 H new ATOM 0 HE2 LYS A 72 6.627 14.672 -8.179 1.00 2.70 H new ATOM 0 HE3 LYS A 72 5.986 14.979 -9.781 1.00 2.70 H new ATOM 0 HZ1 LYS A 72 4.613 16.437 -8.923 1.00 3.38 H new ATOM 0 HZ2 LYS A 72 3.900 15.255 -7.935 1.00 3.38 H new ATOM 0 HZ3 LYS A 72 5.234 16.141 -7.371 1.00 3.38 H new ATOM 1147 N PHE A 73 3.106 9.574 -7.183 1.00 1.00 N ATOM 1148 CA PHE A 73 2.897 8.158 -6.897 1.00 1.07 C ATOM 1149 C PHE A 73 2.943 7.789 -5.408 1.00 0.91 C ATOM 1150 O PHE A 73 2.016 7.150 -4.927 1.00 0.95 O ATOM 1151 CB PHE A 73 3.907 7.326 -7.697 1.00 1.18 C ATOM 1152 CG PHE A 73 5.345 7.782 -7.536 1.00 1.90 C ATOM 1153 CD1 PHE A 73 5.859 8.779 -8.386 1.00 3.15 C ATOM 1154 CD2 PHE A 73 6.160 7.240 -6.526 1.00 3.26 C ATOM 1155 CE1 PHE A 73 7.174 9.243 -8.220 1.00 4.76 C ATOM 1156 CE2 PHE A 73 7.460 7.739 -6.328 1.00 4.84 C ATOM 1157 CZ PHE A 73 7.972 8.731 -7.183 1.00 5.39 C ATOM 0 H PHE A 73 3.653 9.735 -8.028 1.00 1.00 H new ATOM 0 HA PHE A 73 1.877 7.929 -7.207 1.00 1.07 H new ATOM 0 HB2 PHE A 73 3.830 6.284 -7.388 1.00 1.18 H new ATOM 0 HB3 PHE A 73 3.640 7.366 -8.753 1.00 1.18 H new ATOM 0 HD1 PHE A 73 5.239 9.189 -9.170 1.00 3.15 H new ATOM 0 HD2 PHE A 73 5.788 6.441 -5.902 1.00 3.26 H new ATOM 0 HE1 PHE A 73 7.571 9.992 -8.889 1.00 4.76 H new ATOM 0 HE2 PHE A 73 8.066 7.360 -5.518 1.00 4.84 H new ATOM 0 HZ PHE A 73 8.978 9.099 -7.043 1.00 5.39 H new ATOM 1167 N ASN A 74 3.986 8.174 -4.666 1.00 0.81 N ATOM 1168 CA ASN A 74 4.100 7.818 -3.251 1.00 0.76 C ATOM 1169 C ASN A 74 3.123 8.620 -2.369 1.00 0.85 C ATOM 1170 O ASN A 74 2.706 8.116 -1.329 1.00 0.98 O ATOM 1171 CB ASN A 74 5.569 7.864 -2.795 1.00 0.74 C ATOM 1172 CG ASN A 74 5.727 7.845 -1.275 1.00 0.95 C ATOM 1173 OD1 ASN A 74 5.998 6.800 -0.690 1.00 1.67 O ATOM 1174 ND2 ASN A 74 5.618 9.001 -0.628 1.00 1.48 N ATOM 0 H ASN A 74 4.762 8.732 -5.023 1.00 0.81 H new ATOM 0 HA ASN A 74 3.783 6.783 -3.123 1.00 0.76 H new ATOM 0 HB2 ASN A 74 6.102 7.013 -3.220 1.00 0.74 H new ATOM 0 HB3 ASN A 74 6.038 8.764 -3.192 1.00 0.74 H new ATOM 0 HD21 ASN A 74 5.761 9.036 0.381 1.00 1.48 H new ATOM 0 HD22 ASN A 74 5.392 9.853 -1.141 1.00 1.48 H new ATOM 1181 N GLU A 75 2.711 9.829 -2.779 1.00 0.86 N ATOM 1182 CA GLU A 75 1.558 10.487 -2.170 1.00 0.91 C ATOM 1183 C GLU A 75 0.317 9.640 -2.451 1.00 0.93 C ATOM 1184 O GLU A 75 -0.330 9.166 -1.521 1.00 1.05 O ATOM 1185 CB GLU A 75 1.319 11.908 -2.717 1.00 0.98 C ATOM 1186 CG GLU A 75 2.506 12.871 -2.638 1.00 1.00 C ATOM 1187 CD GLU A 75 2.096 14.217 -3.217 1.00 1.11 C ATOM 1188 OE1 GLU A 75 1.514 15.066 -2.514 1.00 2.34 O ATOM 1189 OE2 GLU A 75 2.253 14.463 -4.431 1.00 1.45 O ATOM 0 H GLU A 75 3.159 10.363 -3.524 1.00 0.86 H new ATOM 0 HA GLU A 75 1.756 10.579 -1.102 1.00 0.91 H new ATOM 0 HB2 GLU A 75 1.013 11.827 -3.760 1.00 0.98 H new ATOM 0 HB3 GLU A 75 0.484 12.349 -2.173 1.00 0.98 H new ATOM 0 HG2 GLU A 75 2.826 12.989 -1.603 1.00 1.00 H new ATOM 0 HG3 GLU A 75 3.355 12.467 -3.190 1.00 1.00 H new ATOM 1196 N TYR A 76 -0.008 9.442 -3.736 1.00 0.91 N ATOM 1197 CA TYR A 76 -1.218 8.742 -4.157 1.00 0.95 C ATOM 1198 C TYR A 76 -1.342 7.408 -3.438 1.00 0.96 C ATOM 1199 O TYR A 76 -2.417 7.045 -2.968 1.00 0.95 O ATOM 1200 CB TYR A 76 -1.222 8.478 -5.668 1.00 0.96 C ATOM 1201 CG TYR A 76 -2.557 7.932 -6.139 1.00 1.30 C ATOM 1202 CD1 TYR A 76 -3.628 8.814 -6.374 1.00 2.63 C ATOM 1203 CD2 TYR A 76 -2.769 6.542 -6.229 1.00 2.16 C ATOM 1204 CE1 TYR A 76 -4.879 8.319 -6.770 1.00 3.13 C ATOM 1205 CE2 TYR A 76 -4.024 6.048 -6.627 1.00 2.51 C ATOM 1206 CZ TYR A 76 -5.072 6.936 -6.914 1.00 2.50 C ATOM 1207 OH TYR A 76 -6.259 6.455 -7.374 1.00 3.19 O ATOM 0 H TYR A 76 0.568 9.767 -4.513 1.00 0.91 H new ATOM 0 HA TYR A 76 -2.060 9.386 -3.904 1.00 0.95 H new ATOM 0 HB2 TYR A 76 -0.999 9.403 -6.200 1.00 0.96 H new ATOM 0 HB3 TYR A 76 -0.431 7.770 -5.916 1.00 0.96 H new ATOM 0 HD1 TYR A 76 -3.486 9.877 -6.249 1.00 2.63 H new ATOM 0 HD2 TYR A 76 -1.968 5.857 -5.993 1.00 2.16 H new ATOM 0 HE1 TYR A 76 -5.693 9.001 -6.964 1.00 3.13 H new ATOM 0 HE2 TYR A 76 -4.182 4.983 -6.712 1.00 2.51 H new ATOM 0 HH TYR A 76 -6.665 7.110 -7.979 1.00 3.19 H new ATOM 1217 N TRP A 77 -0.218 6.693 -3.372 1.00 0.97 N ATOM 1218 CA TRP A 77 -0.090 5.386 -2.773 1.00 0.92 C ATOM 1219 C TRP A 77 -0.811 5.303 -1.424 1.00 0.90 C ATOM 1220 O TRP A 77 -1.453 4.290 -1.140 1.00 0.87 O ATOM 1221 CB TRP A 77 1.391 4.996 -2.672 1.00 0.94 C ATOM 1222 CG TRP A 77 1.558 3.652 -2.069 1.00 0.85 C ATOM 1223 CD1 TRP A 77 1.165 2.491 -2.639 1.00 2.17 C ATOM 1224 CD2 TRP A 77 1.976 3.322 -0.716 1.00 1.64 C ATOM 1225 NE1 TRP A 77 1.283 1.473 -1.726 1.00 2.38 N ATOM 1226 CE2 TRP A 77 1.828 1.919 -0.551 1.00 1.48 C ATOM 1227 CE3 TRP A 77 2.416 4.061 0.404 1.00 3.54 C ATOM 1228 CZ2 TRP A 77 2.158 1.268 0.637 1.00 2.09 C ATOM 1229 CZ3 TRP A 77 2.677 3.412 1.625 1.00 4.32 C ATOM 1230 CH2 TRP A 77 2.609 2.019 1.716 1.00 3.40 C ATOM 0 H TRP A 77 0.663 7.035 -3.756 1.00 0.97 H new ATOM 0 HA TRP A 77 -0.583 4.660 -3.419 1.00 0.92 H new ATOM 0 HB2 TRP A 77 1.840 5.009 -3.665 1.00 0.94 H new ATOM 0 HB3 TRP A 77 1.923 5.734 -2.072 1.00 0.94 H new ATOM 0 HD1 TRP A 77 0.813 2.382 -3.654 1.00 2.17 H new ATOM 0 HE1 TRP A 77 1.001 0.508 -1.900 1.00 2.38 H new ATOM 0 HE3 TRP A 77 2.553 5.129 0.323 1.00 3.54 H new ATOM 0 HZ2 TRP A 77 2.064 0.195 0.718 1.00 2.09 H new ATOM 0 HZ3 TRP A 77 2.932 3.995 2.498 1.00 4.32 H new ATOM 0 HH2 TRP A 77 2.908 1.524 2.628 1.00 3.40 H new ATOM 1241 N ARG A 78 -0.753 6.379 -0.625 1.00 0.95 N ATOM 1242 CA ARG A 78 -1.503 6.514 0.621 1.00 0.96 C ATOM 1243 C ARG A 78 -2.920 5.951 0.490 1.00 0.90 C ATOM 1244 O ARG A 78 -3.350 5.196 1.355 1.00 0.93 O ATOM 1245 CB ARG A 78 -1.603 7.991 1.010 1.00 0.95 C ATOM 1246 CG ARG A 78 -0.282 8.636 1.443 1.00 1.28 C ATOM 1247 CD ARG A 78 -0.042 8.448 2.948 1.00 2.11 C ATOM 1248 NE ARG A 78 0.937 9.416 3.468 1.00 2.62 N ATOM 1249 CZ ARG A 78 0.680 10.713 3.718 1.00 2.73 C ATOM 1250 NH1 ARG A 78 -0.509 11.238 3.396 1.00 2.67 N ATOM 1251 NH2 ARG A 78 1.617 11.473 4.294 1.00 4.01 N ATOM 0 H ARG A 78 -0.172 7.191 -0.835 1.00 0.95 H new ATOM 0 HA ARG A 78 -0.969 5.950 1.386 1.00 0.96 H new ATOM 0 HB2 ARG A 78 -2.002 8.548 0.163 1.00 0.95 H new ATOM 0 HB3 ARG A 78 -2.322 8.089 1.823 1.00 0.95 H new ATOM 0 HG2 ARG A 78 0.542 8.195 0.882 1.00 1.28 H new ATOM 0 HG3 ARG A 78 -0.297 9.699 1.204 1.00 1.28 H new ATOM 0 HD2 ARG A 78 -0.985 8.560 3.484 1.00 2.11 H new ATOM 0 HD3 ARG A 78 0.313 7.435 3.136 1.00 2.11 H new ATOM 0 HE ARG A 78 1.882 9.078 3.653 1.00 2.62 H new ATOM 0 HH11 ARG A 78 -1.223 10.654 2.960 1.00 2.67 H new ATOM 0 HH12 ARG A 78 -0.701 12.221 3.587 1.00 2.67 H new ATOM 0 HH21 ARG A 78 2.520 11.069 4.541 1.00 4.01 H new ATOM 0 HH22 ARG A 78 1.429 12.457 4.486 1.00 4.01 H new ATOM 1265 N LEU A 79 -3.632 6.291 -0.589 1.00 0.85 N ATOM 1266 CA LEU A 79 -4.976 5.814 -0.857 1.00 0.81 C ATOM 1267 C LEU A 79 -5.070 4.297 -0.714 1.00 0.81 C ATOM 1268 O LEU A 79 -5.951 3.816 -0.001 1.00 0.86 O ATOM 1269 CB LEU A 79 -5.396 6.245 -2.271 1.00 0.77 C ATOM 1270 CG LEU A 79 -6.887 5.982 -2.531 1.00 0.73 C ATOM 1271 CD1 LEU A 79 -7.740 7.095 -1.921 1.00 0.74 C ATOM 1272 CD2 LEU A 79 -7.137 5.878 -4.039 1.00 0.69 C ATOM 0 H LEU A 79 -3.276 6.918 -1.310 1.00 0.85 H new ATOM 0 HA LEU A 79 -5.652 6.254 -0.123 1.00 0.81 H new ATOM 0 HB2 LEU A 79 -5.186 7.306 -2.404 1.00 0.77 H new ATOM 0 HB3 LEU A 79 -4.799 5.707 -3.007 1.00 0.77 H new ATOM 0 HG LEU A 79 -7.170 5.041 -2.060 1.00 0.73 H new ATOM 0 HD11 LEU A 79 -8.794 6.893 -2.114 1.00 0.74 H new ATOM 0 HD12 LEU A 79 -7.570 7.136 -0.845 1.00 0.74 H new ATOM 0 HD13 LEU A 79 -7.466 8.050 -2.368 1.00 0.74 H new ATOM 0 HD21 LEU A 79 -8.195 5.691 -4.220 1.00 0.69 H new ATOM 0 HD22 LEU A 79 -6.845 6.811 -4.521 1.00 0.69 H new ATOM 0 HD23 LEU A 79 -6.548 5.058 -4.450 1.00 0.69 H new ATOM 1284 N ILE A 80 -4.168 3.543 -1.363 1.00 0.82 N ATOM 1285 CA ILE A 80 -4.213 2.097 -1.343 1.00 0.90 C ATOM 1286 C ILE A 80 -3.969 1.645 0.102 1.00 0.97 C ATOM 1287 O ILE A 80 -4.439 0.591 0.513 1.00 0.95 O ATOM 1288 CB ILE A 80 -3.275 1.490 -2.409 1.00 0.98 C ATOM 1289 CG1 ILE A 80 -3.651 1.966 -3.828 1.00 1.05 C ATOM 1290 CG2 ILE A 80 -3.367 -0.045 -2.413 1.00 1.16 C ATOM 1291 CD1 ILE A 80 -2.816 3.158 -4.304 1.00 1.75 C ATOM 0 H ILE A 80 -3.397 3.929 -1.909 1.00 0.82 H new ATOM 0 HA ILE A 80 -5.191 1.715 -1.635 1.00 0.90 H new ATOM 0 HB ILE A 80 -2.268 1.818 -2.153 1.00 0.98 H new ATOM 0 HG12 ILE A 80 -3.524 1.139 -4.527 1.00 1.05 H new ATOM 0 HG13 ILE A 80 -4.706 2.239 -3.845 1.00 1.05 H new ATOM 0 HG21 ILE A 80 -2.697 -0.448 -3.173 1.00 1.16 H new ATOM 0 HG22 ILE A 80 -3.079 -0.429 -1.434 1.00 1.16 H new ATOM 0 HG23 ILE A 80 -4.390 -0.348 -2.635 1.00 1.16 H new ATOM 0 HD11 ILE A 80 -3.129 3.444 -5.308 1.00 1.75 H new ATOM 0 HD12 ILE A 80 -2.962 3.998 -3.625 1.00 1.75 H new ATOM 0 HD13 ILE A 80 -1.762 2.881 -4.318 1.00 1.75 H new ATOM 1303 N GLY A 81 -3.303 2.481 0.902 1.00 1.13 N ATOM 1304 CA GLY A 81 -3.046 2.266 2.304 1.00 1.21 C ATOM 1305 C GLY A 81 -4.290 2.368 3.117 1.00 1.21 C ATOM 1306 O GLY A 81 -4.644 1.454 3.858 1.00 1.32 O ATOM 0 H GLY A 81 -2.916 3.362 0.563 1.00 1.13 H new ATOM 0 HA2 GLY A 81 -2.600 1.282 2.445 1.00 1.21 H new ATOM 0 HA3 GLY A 81 -2.320 2.999 2.657 1.00 1.21 H new ATOM 1310 N GLU A 82 -4.944 3.503 2.961 1.00 1.16 N ATOM 1311 CA GLU A 82 -6.134 3.813 3.695 1.00 1.20 C ATOM 1312 C GLU A 82 -7.120 2.697 3.448 1.00 1.26 C ATOM 1313 O GLU A 82 -7.632 2.143 4.405 1.00 1.37 O ATOM 1314 CB GLU A 82 -6.634 5.180 3.270 1.00 1.15 C ATOM 1315 CG GLU A 82 -5.494 6.184 3.526 1.00 1.12 C ATOM 1316 CD GLU A 82 -5.662 6.900 4.857 1.00 1.37 C ATOM 1317 OE1 GLU A 82 -5.519 6.191 5.882 1.00 2.39 O ATOM 1318 OE2 GLU A 82 -5.920 8.119 4.834 1.00 1.95 O ATOM 0 H GLU A 82 -4.654 4.235 2.313 1.00 1.16 H new ATOM 0 HA GLU A 82 -5.963 3.874 4.770 1.00 1.20 H new ATOM 0 HB2 GLU A 82 -6.914 5.177 2.217 1.00 1.15 H new ATOM 0 HB3 GLU A 82 -7.524 5.457 3.835 1.00 1.15 H new ATOM 0 HG2 GLU A 82 -4.538 5.660 3.513 1.00 1.12 H new ATOM 0 HG3 GLU A 82 -5.467 6.917 2.720 1.00 1.12 H new ATOM 1325 N LEU A 83 -7.297 2.304 2.190 1.00 1.22 N ATOM 1326 CA LEU A 83 -8.227 1.245 1.853 1.00 1.26 C ATOM 1327 C LEU A 83 -7.759 -0.173 2.215 1.00 0.95 C ATOM 1328 O LEU A 83 -8.553 -0.962 2.729 1.00 0.97 O ATOM 1329 CB LEU A 83 -8.736 1.431 0.435 1.00 1.84 C ATOM 1330 CG LEU A 83 -7.665 1.302 -0.659 1.00 1.13 C ATOM 1331 CD1 LEU A 83 -7.459 -0.091 -1.255 1.00 2.11 C ATOM 1332 CD2 LEU A 83 -8.000 2.256 -1.801 1.00 1.73 C ATOM 0 H LEU A 83 -6.806 2.706 1.391 1.00 1.22 H new ATOM 0 HA LEU A 83 -9.090 1.343 2.511 1.00 1.26 H new ATOM 0 HB2 LEU A 83 -9.518 0.696 0.246 1.00 1.84 H new ATOM 0 HB3 LEU A 83 -9.198 2.415 0.357 1.00 1.84 H new ATOM 0 HG LEU A 83 -6.732 1.543 -0.150 1.00 1.13 H new ATOM 0 HD11 LEU A 83 -6.678 -0.050 -2.014 1.00 2.11 H new ATOM 0 HD12 LEU A 83 -7.163 -0.784 -0.467 1.00 2.11 H new ATOM 0 HD13 LEU A 83 -8.389 -0.434 -1.709 1.00 2.11 H new ATOM 0 HD21 LEU A 83 -7.244 2.170 -2.581 1.00 1.73 H new ATOM 0 HD22 LEU A 83 -8.977 2.002 -2.213 1.00 1.73 H new ATOM 0 HD23 LEU A 83 -8.019 3.279 -1.426 1.00 1.73 H new ATOM 1344 N ALA A 84 -6.479 -0.505 2.022 1.00 0.90 N ATOM 1345 CA ALA A 84 -5.924 -1.762 2.521 1.00 0.93 C ATOM 1346 C ALA A 84 -6.146 -1.876 4.028 1.00 0.99 C ATOM 1347 O ALA A 84 -6.318 -2.968 4.559 1.00 1.20 O ATOM 1348 CB ALA A 84 -4.432 -1.875 2.192 1.00 0.99 C ATOM 0 H ALA A 84 -5.809 0.081 1.523 1.00 0.90 H new ATOM 0 HA ALA A 84 -6.442 -2.583 2.024 1.00 0.93 H new ATOM 0 HB1 ALA A 84 -4.046 -2.820 2.575 1.00 0.99 H new ATOM 0 HB2 ALA A 84 -4.294 -1.838 1.111 1.00 0.99 H new ATOM 0 HB3 ALA A 84 -3.894 -1.048 2.655 1.00 0.99 H new ATOM 1354 N LYS A 85 -6.142 -0.735 4.714 1.00 0.95 N ATOM 1355 CA LYS A 85 -6.430 -0.620 6.126 1.00 1.07 C ATOM 1356 C LYS A 85 -7.941 -0.647 6.395 1.00 1.07 C ATOM 1357 O LYS A 85 -8.345 -1.323 7.336 1.00 1.17 O ATOM 1358 CB LYS A 85 -5.698 0.628 6.618 1.00 1.24 C ATOM 1359 CG LYS A 85 -6.001 1.079 8.041 1.00 1.20 C ATOM 1360 CD LYS A 85 -4.863 1.953 8.558 1.00 1.79 C ATOM 1361 CE LYS A 85 -4.437 3.053 7.575 1.00 1.12 C ATOM 1362 NZ LYS A 85 -5.498 4.047 7.302 1.00 1.93 N ATOM 0 H LYS A 85 -5.929 0.162 4.278 1.00 0.95 H new ATOM 0 HA LYS A 85 -6.066 -1.475 6.696 1.00 1.07 H new ATOM 0 HB2 LYS A 85 -4.626 0.448 6.539 1.00 1.24 H new ATOM 0 HB3 LYS A 85 -5.934 1.450 5.942 1.00 1.24 H new ATOM 0 HG2 LYS A 85 -6.938 1.635 8.065 1.00 1.20 H new ATOM 0 HG3 LYS A 85 -6.129 0.211 8.688 1.00 1.20 H new ATOM 0 HD2 LYS A 85 -5.169 2.415 9.497 1.00 1.79 H new ATOM 0 HD3 LYS A 85 -4.002 1.321 8.779 1.00 1.79 H new ATOM 0 HE2 LYS A 85 -3.563 3.567 7.975 1.00 1.12 H new ATOM 0 HE3 LYS A 85 -4.133 2.591 6.636 1.00 1.12 H new ATOM 0 HZ1 LYS A 85 -5.127 4.787 6.672 1.00 1.93 H new ATOM 0 HZ2 LYS A 85 -6.305 3.576 6.846 1.00 1.93 H new ATOM 0 HZ3 LYS A 85 -5.809 4.478 8.196 1.00 1.93 H new ATOM 1376 N GLU A 86 -8.775 0.043 5.601 1.00 1.09 N ATOM 1377 CA GLU A 86 -10.238 0.108 5.729 1.00 1.23 C ATOM 1378 C GLU A 86 -10.818 -1.280 5.965 1.00 1.37 C ATOM 1379 O GLU A 86 -11.690 -1.445 6.817 1.00 1.57 O ATOM 1380 CB GLU A 86 -10.894 0.724 4.474 1.00 1.42 C ATOM 1381 CG GLU A 86 -10.724 2.254 4.399 1.00 1.49 C ATOM 1382 CD GLU A 86 -11.938 2.953 4.979 1.00 2.08 C ATOM 1383 OE1 GLU A 86 -12.990 2.934 4.299 1.00 2.93 O ATOM 1384 OE2 GLU A 86 -11.818 3.450 6.115 1.00 2.44 O ATOM 0 H GLU A 86 -8.431 0.596 4.816 1.00 1.09 H new ATOM 0 HA GLU A 86 -10.456 0.748 6.584 1.00 1.23 H new ATOM 0 HB2 GLU A 86 -10.459 0.271 3.583 1.00 1.42 H new ATOM 0 HB3 GLU A 86 -11.956 0.481 4.469 1.00 1.42 H new ATOM 0 HG2 GLU A 86 -9.829 2.553 4.945 1.00 1.49 H new ATOM 0 HG3 GLU A 86 -10.582 2.560 3.362 1.00 1.49 H new ATOM 1391 N ILE A 87 -10.302 -2.274 5.233 1.00 1.33 N ATOM 1392 CA ILE A 87 -10.717 -3.664 5.352 1.00 1.41 C ATOM 1393 C ILE A 87 -10.804 -4.134 6.818 1.00 1.47 C ATOM 1394 O ILE A 87 -11.648 -4.964 7.142 1.00 1.65 O ATOM 1395 CB ILE A 87 -9.805 -4.549 4.473 1.00 1.37 C ATOM 1396 CG1 ILE A 87 -10.579 -5.792 4.002 1.00 1.46 C ATOM 1397 CG2 ILE A 87 -8.534 -4.971 5.222 1.00 1.45 C ATOM 1398 CD1 ILE A 87 -9.961 -6.356 2.726 1.00 1.48 C ATOM 0 H ILE A 87 -9.575 -2.126 4.533 1.00 1.33 H new ATOM 0 HA ILE A 87 -11.736 -3.760 4.978 1.00 1.41 H new ATOM 0 HB ILE A 87 -9.499 -3.961 3.608 1.00 1.37 H new ATOM 0 HG12 ILE A 87 -10.569 -6.551 4.784 1.00 1.46 H new ATOM 0 HG13 ILE A 87 -11.622 -5.532 3.823 1.00 1.46 H new ATOM 0 HG21 ILE A 87 -7.918 -5.592 4.572 1.00 1.45 H new ATOM 0 HG22 ILE A 87 -7.973 -4.084 5.515 1.00 1.45 H new ATOM 0 HG23 ILE A 87 -8.807 -5.537 6.112 1.00 1.45 H new ATOM 0 HD11 ILE A 87 -10.522 -7.235 2.408 1.00 1.48 H new ATOM 0 HD12 ILE A 87 -9.994 -5.601 1.941 1.00 1.48 H new ATOM 0 HD13 ILE A 87 -8.925 -6.636 2.916 1.00 1.48 H new ATOM 1410 N ARG A 88 -9.950 -3.602 7.709 1.00 1.42 N ATOM 1411 CA ARG A 88 -9.953 -3.912 9.138 1.00 1.54 C ATOM 1412 C ARG A 88 -10.143 -2.682 10.043 1.00 1.65 C ATOM 1413 O ARG A 88 -10.510 -2.839 11.214 1.00 2.25 O ATOM 1414 CB ARG A 88 -8.698 -4.713 9.504 1.00 1.88 C ATOM 1415 CG ARG A 88 -7.381 -4.007 9.143 1.00 1.95 C ATOM 1416 CD ARG A 88 -6.188 -4.789 9.710 1.00 2.71 C ATOM 1417 NE ARG A 88 -6.197 -4.756 11.180 1.00 3.13 N ATOM 1418 CZ ARG A 88 -5.654 -5.665 12.004 1.00 4.05 C ATOM 1419 NH1 ARG A 88 -4.893 -6.661 11.549 1.00 4.94 N ATOM 1420 NH2 ARG A 88 -5.881 -5.598 13.316 1.00 4.74 N ATOM 0 H ARG A 88 -9.227 -2.933 7.445 1.00 1.42 H new ATOM 0 HA ARG A 88 -10.832 -4.528 9.328 1.00 1.54 H new ATOM 0 HB2 ARG A 88 -8.708 -4.916 10.575 1.00 1.88 H new ATOM 0 HB3 ARG A 88 -8.733 -5.677 8.996 1.00 1.88 H new ATOM 0 HG2 ARG A 88 -7.289 -3.924 8.060 1.00 1.95 H new ATOM 0 HG3 ARG A 88 -7.383 -2.992 9.541 1.00 1.95 H new ATOM 0 HD2 ARG A 88 -6.226 -5.822 9.364 1.00 2.71 H new ATOM 0 HD3 ARG A 88 -5.257 -4.362 9.337 1.00 2.71 H new ATOM 0 HE ARG A 88 -6.663 -3.961 11.618 1.00 3.13 H new ATOM 0 HH11 ARG A 88 -4.710 -6.747 10.549 1.00 4.94 H new ATOM 0 HH12 ARG A 88 -4.494 -7.337 12.201 1.00 4.94 H new ATOM 0 HH21 ARG A 88 -6.468 -4.855 13.695 1.00 4.74 H new ATOM 0 HH22 ARG A 88 -5.467 -6.290 13.941 1.00 4.74 H new ATOM 1434 N LYS A 89 -9.910 -1.459 9.552 1.00 1.33 N ATOM 1435 CA LYS A 89 -10.131 -0.207 10.266 1.00 1.42 C ATOM 1436 C LYS A 89 -11.629 0.121 10.254 1.00 1.82 C ATOM 1437 O LYS A 89 -12.097 1.099 9.682 1.00 1.99 O ATOM 1438 CB LYS A 89 -9.195 0.883 9.721 1.00 1.25 C ATOM 1439 CG LYS A 89 -9.473 2.277 10.301 1.00 1.27 C ATOM 1440 CD LYS A 89 -8.178 3.092 10.409 1.00 1.72 C ATOM 1441 CE LYS A 89 -8.285 4.519 10.996 1.00 2.15 C ATOM 1442 NZ LYS A 89 -8.833 4.599 12.374 1.00 3.38 N ATOM 0 H LYS A 89 -9.548 -1.315 8.609 1.00 1.33 H new ATOM 0 HA LYS A 89 -9.864 -0.287 11.320 1.00 1.42 H new ATOM 0 HB2 LYS A 89 -8.163 0.607 9.939 1.00 1.25 H new ATOM 0 HB3 LYS A 89 -9.291 0.924 8.636 1.00 1.25 H new ATOM 0 HG2 LYS A 89 -10.187 2.803 9.668 1.00 1.27 H new ATOM 0 HG3 LYS A 89 -9.931 2.181 11.286 1.00 1.27 H new ATOM 0 HD2 LYS A 89 -7.474 2.528 11.021 1.00 1.72 H new ATOM 0 HD3 LYS A 89 -7.744 3.169 9.412 1.00 1.72 H new ATOM 0 HE2 LYS A 89 -7.293 4.972 10.990 1.00 2.15 H new ATOM 0 HE3 LYS A 89 -8.913 5.119 10.337 1.00 2.15 H new ATOM 0 HZ1 LYS A 89 -9.522 5.376 12.429 1.00 3.38 H new ATOM 0 HZ2 LYS A 89 -9.303 3.703 12.613 1.00 3.38 H new ATOM 0 HZ3 LYS A 89 -8.059 4.774 13.046 1.00 3.38 H new ATOM 1456 N LYS A 90 -12.342 -0.718 11.003 1.00 3.00 N ATOM 1457 CA LYS A 90 -13.775 -0.917 11.077 1.00 3.88 C ATOM 1458 C LYS A 90 -14.663 0.327 10.966 1.00 3.15 C ATOM 1459 O LYS A 90 -15.785 0.205 10.476 1.00 3.69 O ATOM 1460 CB LYS A 90 -14.062 -1.712 12.366 1.00 5.75 C ATOM 1461 CG LYS A 90 -13.792 -1.021 13.724 1.00 7.63 C ATOM 1462 CD LYS A 90 -12.383 -0.476 14.066 1.00 8.94 C ATOM 1463 CE LYS A 90 -11.209 -1.473 14.278 1.00 10.53 C ATOM 1464 NZ LYS A 90 -11.239 -2.881 13.794 1.00 11.16 N ATOM 0 H LYS A 90 -11.863 -1.347 11.648 1.00 3.00 H new ATOM 0 HA LYS A 90 -14.057 -1.464 10.177 1.00 3.88 H new ATOM 0 HB2 LYS A 90 -15.110 -2.011 12.347 1.00 5.75 H new ATOM 0 HB3 LYS A 90 -13.469 -2.626 12.333 1.00 5.75 H new ATOM 0 HG2 LYS A 90 -14.487 -0.185 13.803 1.00 7.63 H new ATOM 0 HG3 LYS A 90 -14.059 -1.733 14.505 1.00 7.63 H new ATOM 0 HD2 LYS A 90 -12.093 0.205 13.266 1.00 8.94 H new ATOM 0 HD3 LYS A 90 -12.474 0.119 14.974 1.00 8.94 H new ATOM 0 HE2 LYS A 90 -10.328 -1.012 13.831 1.00 10.53 H new ATOM 0 HE3 LYS A 90 -11.034 -1.520 15.353 1.00 10.53 H new ATOM 0 HZ1 LYS A 90 -10.356 -3.360 14.064 1.00 11.16 H new ATOM 0 HZ2 LYS A 90 -12.047 -3.378 14.221 1.00 11.16 H new ATOM 0 HZ3 LYS A 90 -11.335 -2.890 12.759 1.00 11.16 H new ATOM 1478 N LYS A 91 -14.232 1.478 11.484 1.00 3.01 N ATOM 1479 CA LYS A 91 -14.935 2.761 11.374 1.00 3.42 C ATOM 1480 C LYS A 91 -13.898 3.868 11.599 1.00 4.23 C ATOM 1481 O LYS A 91 -13.956 4.605 12.578 1.00 5.17 O ATOM 1482 CB LYS A 91 -16.179 2.851 12.319 1.00 4.71 C ATOM 1483 CG LYS A 91 -16.972 1.761 13.095 1.00 5.75 C ATOM 1484 CD LYS A 91 -18.425 1.493 12.627 1.00 6.63 C ATOM 1485 CE LYS A 91 -18.727 -0.016 12.579 1.00 7.87 C ATOM 1486 NZ LYS A 91 -18.140 -0.680 11.392 1.00 8.29 N ATOM 0 H LYS A 91 -13.359 1.547 12.007 1.00 3.01 H new ATOM 0 HA LYS A 91 -15.369 2.875 10.381 1.00 3.42 H new ATOM 0 HB2 LYS A 91 -15.874 3.557 13.091 1.00 4.71 H new ATOM 0 HB3 LYS A 91 -16.936 3.349 11.713 1.00 4.71 H new ATOM 0 HG2 LYS A 91 -16.416 0.826 13.032 1.00 5.75 H new ATOM 0 HG3 LYS A 91 -17.000 2.045 14.147 1.00 5.75 H new ATOM 0 HD2 LYS A 91 -19.124 1.985 13.304 1.00 6.63 H new ATOM 0 HD3 LYS A 91 -18.578 1.928 11.639 1.00 6.63 H new ATOM 0 HE2 LYS A 91 -18.341 -0.488 13.482 1.00 7.87 H new ATOM 0 HE3 LYS A 91 -19.807 -0.166 12.577 1.00 7.87 H new ATOM 0 HZ1 LYS A 91 -17.700 -1.578 11.679 1.00 8.29 H new ATOM 0 HZ2 LYS A 91 -18.888 -0.868 10.694 1.00 8.29 H new ATOM 0 HZ3 LYS A 91 -17.419 -0.061 10.969 1.00 8.29 H new ATOM 1500 N ASP A 92 -12.909 3.883 10.699 1.00 4.66 N ATOM 1501 CA ASP A 92 -11.857 4.874 10.516 1.00 6.47 C ATOM 1502 C ASP A 92 -11.756 5.974 11.581 1.00 7.39 C ATOM 1503 O ASP A 92 -11.261 5.691 12.676 1.00 7.27 O ATOM 1504 CB ASP A 92 -11.860 5.355 9.058 1.00 7.44 C ATOM 1505 CG ASP A 92 -13.136 6.093 8.672 1.00 8.61 C ATOM 1506 OD1 ASP A 92 -14.169 5.429 8.448 1.00 8.66 O ATOM 1507 OD2 ASP A 92 -13.057 7.342 8.718 1.00 9.88 O ATOM 0 H ASP A 92 -12.822 3.128 10.019 1.00 4.66 H new ATOM 0 HA ASP A 92 -10.909 4.370 10.703 1.00 6.47 H new ATOM 0 HB2 ASP A 92 -11.005 6.012 8.897 1.00 7.44 H new ATOM 0 HB3 ASP A 92 -11.731 4.497 8.399 1.00 7.44 H new ATOM 1512 N LEU A 93 -12.079 7.211 11.214 1.00 8.64 N ATOM 1513 CA LEU A 93 -12.534 8.307 12.054 1.00 9.51 C ATOM 1514 C LEU A 93 -14.065 8.367 11.970 1.00 9.71 C ATOM 1515 O LEU A 93 -14.747 8.576 12.970 1.00 10.08 O ATOM 1516 CB LEU A 93 -11.903 9.605 11.507 1.00 10.48 C ATOM 1517 CG LEU A 93 -12.651 10.908 11.845 1.00 11.30 C ATOM 1518 CD1 LEU A 93 -12.680 11.170 13.357 1.00 11.42 C ATOM 1519 CD2 LEU A 93 -11.942 12.082 11.160 1.00 12.33 C ATOM 0 H LEU A 93 -12.023 7.493 10.235 1.00 8.64 H new ATOM 0 HA LEU A 93 -12.243 8.174 13.096 1.00 9.51 H new ATOM 0 HB2 LEU A 93 -10.886 9.682 11.891 1.00 10.48 H new ATOM 0 HB3 LEU A 93 -11.829 9.522 10.423 1.00 10.48 H new ATOM 0 HG LEU A 93 -13.678 10.808 11.493 1.00 11.30 H new ATOM 0 HD11 LEU A 93 -13.216 12.098 13.555 1.00 11.42 H new ATOM 0 HD12 LEU A 93 -13.185 10.345 13.860 1.00 11.42 H new ATOM 0 HD13 LEU A 93 -11.660 11.253 13.731 1.00 11.42 H new ATOM 0 HD21 LEU A 93 -12.465 13.009 11.394 1.00 12.33 H new ATOM 0 HD22 LEU A 93 -10.914 12.145 11.517 1.00 12.33 H new ATOM 0 HD23 LEU A 93 -11.942 11.928 10.081 1.00 12.33 H new ATOM 1531 N LYS A 94 -14.590 8.263 10.747 1.00 9.76 N ATOM 1532 CA LYS A 94 -15.978 8.456 10.396 1.00 10.30 C ATOM 1533 C LYS A 94 -16.810 7.252 10.860 1.00 9.25 C ATOM 1534 O LYS A 94 -16.317 6.340 11.521 1.00 8.69 O ATOM 1535 CB LYS A 94 -16.046 8.615 8.865 1.00 11.05 C ATOM 1536 CG LYS A 94 -15.055 9.630 8.255 1.00 12.20 C ATOM 1537 CD LYS A 94 -15.727 10.965 7.921 1.00 13.24 C ATOM 1538 CE LYS A 94 -14.692 11.959 7.371 1.00 14.56 C ATOM 1539 NZ LYS A 94 -15.284 12.947 6.445 1.00 15.83 N ATOM 0 H LYS A 94 -14.016 8.028 9.937 1.00 9.76 H new ATOM 0 HA LYS A 94 -16.385 9.342 10.884 1.00 10.30 H new ATOM 0 HB2 LYS A 94 -15.868 7.641 8.408 1.00 11.05 H new ATOM 0 HB3 LYS A 94 -17.058 8.914 8.593 1.00 11.05 H new ATOM 0 HG2 LYS A 94 -14.237 9.802 8.955 1.00 12.20 H new ATOM 0 HG3 LYS A 94 -14.617 9.209 7.350 1.00 12.20 H new ATOM 0 HD2 LYS A 94 -16.517 10.809 7.187 1.00 13.24 H new ATOM 0 HD3 LYS A 94 -16.198 11.376 8.814 1.00 13.24 H new ATOM 0 HE2 LYS A 94 -14.221 12.483 8.202 1.00 14.56 H new ATOM 0 HE3 LYS A 94 -13.905 11.409 6.854 1.00 14.56 H new ATOM 0 HZ1 LYS A 94 -14.781 13.853 6.535 1.00 15.83 H new ATOM 0 HZ2 LYS A 94 -15.201 12.600 5.468 1.00 15.83 H new ATOM 0 HZ3 LYS A 94 -16.288 13.084 6.679 1.00 15.83 H new ATOM 1553 N ILE A 95 -18.088 7.240 10.481 1.00 9.38 N ATOM 1554 CA ILE A 95 -18.989 6.112 10.659 1.00 8.89 C ATOM 1555 C ILE A 95 -19.487 5.680 9.281 1.00 9.34 C ATOM 1556 O ILE A 95 -19.364 6.433 8.316 1.00 10.14 O ATOM 1557 CB ILE A 95 -20.118 6.440 11.654 1.00 9.37 C ATOM 1558 CG1 ILE A 95 -21.204 7.410 11.144 1.00 10.62 C ATOM 1559 CG2 ILE A 95 -19.533 6.898 12.998 1.00 9.92 C ATOM 1560 CD1 ILE A 95 -20.720 8.796 10.704 1.00 12.11 C ATOM 0 H ILE A 95 -18.533 8.039 10.030 1.00 9.38 H new ATOM 0 HA ILE A 95 -18.464 5.270 11.111 1.00 8.89 H new ATOM 0 HB ILE A 95 -20.657 5.502 11.787 1.00 9.37 H new ATOM 0 HG12 ILE A 95 -21.714 6.942 10.302 1.00 10.62 H new ATOM 0 HG13 ILE A 95 -21.945 7.540 11.933 1.00 10.62 H new ATOM 0 HG21 ILE A 95 -20.344 7.126 13.689 1.00 9.92 H new ATOM 0 HG22 ILE A 95 -18.913 6.104 13.415 1.00 9.92 H new ATOM 0 HG23 ILE A 95 -18.925 7.790 12.845 1.00 9.92 H new ATOM 0 HD11 ILE A 95 -21.571 9.388 10.366 1.00 12.11 H new ATOM 0 HD12 ILE A 95 -20.240 9.297 11.544 1.00 12.11 H new ATOM 0 HD13 ILE A 95 -20.005 8.690 9.888 1.00 12.11 H new ATOM 1572 N ARG A 96 -19.995 4.449 9.180 1.00 9.13 N ATOM 1573 CA ARG A 96 -20.234 3.793 7.900 1.00 9.82 C ATOM 1574 C ARG A 96 -21.425 2.839 8.019 1.00 9.68 C ATOM 1575 O ARG A 96 -22.468 3.060 7.415 1.00 10.57 O ATOM 1576 CB ARG A 96 -18.940 3.062 7.494 1.00 9.80 C ATOM 1577 CG ARG A 96 -18.967 2.515 6.061 1.00 10.80 C ATOM 1578 CD ARG A 96 -17.971 1.352 5.930 1.00 11.22 C ATOM 1579 NE ARG A 96 -17.434 1.236 4.563 1.00 12.53 N ATOM 1580 CZ ARG A 96 -16.250 1.723 4.151 1.00 14.13 C ATOM 1581 NH1 ARG A 96 -15.501 2.472 4.964 1.00 14.72 N ATOM 1582 NH2 ARG A 96 -15.822 1.459 2.918 1.00 15.41 N ATOM 0 H ARG A 96 -20.251 3.881 9.988 1.00 9.13 H new ATOM 0 HA ARG A 96 -20.486 4.518 7.126 1.00 9.82 H new ATOM 0 HB2 ARG A 96 -18.098 3.747 7.597 1.00 9.80 H new ATOM 0 HB3 ARG A 96 -18.766 2.237 8.185 1.00 9.80 H new ATOM 0 HG2 ARG A 96 -19.972 2.175 5.810 1.00 10.80 H new ATOM 0 HG3 ARG A 96 -18.712 3.306 5.355 1.00 10.80 H new ATOM 0 HD2 ARG A 96 -17.149 1.498 6.631 1.00 11.22 H new ATOM 0 HD3 ARG A 96 -18.464 0.420 6.206 1.00 11.22 H new ATOM 0 HE ARG A 96 -18.006 0.747 3.874 1.00 12.53 H new ATOM 0 HH11 ARG A 96 -15.825 2.680 5.908 1.00 14.72 H new ATOM 0 HH12 ARG A 96 -14.605 2.836 4.641 1.00 14.72 H new ATOM 0 HH21 ARG A 96 -16.391 0.890 2.291 1.00 15.41 H new ATOM 0 HH22 ARG A 96 -14.925 1.826 2.600 1.00 15.41 H new ATOM 1596 N LYS A 97 -21.238 1.761 8.786 1.00 8.96 N ATOM 1597 CA LYS A 97 -22.116 0.607 8.881 1.00 9.06 C ATOM 1598 C LYS A 97 -21.414 -0.366 9.829 1.00 8.56 C ATOM 1599 O LYS A 97 -20.191 -0.496 9.735 1.00 8.31 O ATOM 1600 CB LYS A 97 -22.346 -0.029 7.491 1.00 9.41 C ATOM 1601 CG LYS A 97 -22.807 -1.488 7.616 1.00 9.56 C ATOM 1602 CD LYS A 97 -23.383 -2.082 6.327 1.00 10.57 C ATOM 1603 CE LYS A 97 -23.576 -3.615 6.374 1.00 10.56 C ATOM 1604 NZ LYS A 97 -23.568 -4.214 7.732 1.00 10.43 N ATOM 0 H LYS A 97 -20.420 1.672 9.389 1.00 8.96 H new ATOM 0 HA LYS A 97 -23.103 0.881 9.253 1.00 9.06 H new ATOM 0 HB2 LYS A 97 -23.094 0.546 6.945 1.00 9.41 H new ATOM 0 HB3 LYS A 97 -21.424 0.015 6.911 1.00 9.41 H new ATOM 0 HG2 LYS A 97 -21.962 -2.097 7.936 1.00 9.56 H new ATOM 0 HG3 LYS A 97 -23.561 -1.552 8.400 1.00 9.56 H new ATOM 0 HD2 LYS A 97 -24.344 -1.611 6.120 1.00 10.57 H new ATOM 0 HD3 LYS A 97 -22.721 -1.834 5.497 1.00 10.57 H new ATOM 0 HE2 LYS A 97 -24.522 -3.860 5.892 1.00 10.56 H new ATOM 0 HE3 LYS A 97 -22.787 -4.082 5.784 1.00 10.56 H new ATOM 0 HZ1 LYS A 97 -24.028 -5.146 7.703 1.00 10.43 H new ATOM 0 HZ2 LYS A 97 -22.586 -4.322 8.058 1.00 10.43 H new ATOM 0 HZ3 LYS A 97 -24.084 -3.594 8.388 1.00 10.43 H new ATOM 1618 N LYS A 98 -22.145 -1.013 10.743 1.00 8.99 N ATOM 1619 CA LYS A 98 -21.748 -2.333 11.214 1.00 9.02 C ATOM 1620 C LYS A 98 -22.447 -3.315 10.277 1.00 9.10 C ATOM 1621 O LYS A 98 -23.679 -3.188 10.096 1.00 9.92 O ATOM 1622 CB LYS A 98 -22.074 -2.544 12.704 1.00 10.05 C ATOM 1623 CG LYS A 98 -23.570 -2.624 13.042 1.00 11.33 C ATOM 1624 CD LYS A 98 -23.766 -2.854 14.548 1.00 12.50 C ATOM 1625 CE LYS A 98 -25.251 -3.089 14.862 1.00 13.94 C ATOM 1626 NZ LYS A 98 -25.488 -3.365 16.296 1.00 14.76 N ATOM 1627 OXT LYS A 98 -21.747 -4.076 9.576 1.00 8.77 O ATOM 0 H LYS A 98 -23.000 -0.647 11.162 1.00 8.99 H new ATOM 0 HA LYS A 98 -20.668 -2.477 11.179 1.00 9.02 H new ATOM 0 HB2 LYS A 98 -21.593 -3.463 13.038 1.00 10.05 H new ATOM 0 HB3 LYS A 98 -21.632 -1.727 13.275 1.00 10.05 H new ATOM 0 HG2 LYS A 98 -24.067 -1.702 12.740 1.00 11.33 H new ATOM 0 HG3 LYS A 98 -24.034 -3.435 12.480 1.00 11.33 H new ATOM 0 HD2 LYS A 98 -23.178 -3.713 14.871 1.00 12.50 H new ATOM 0 HD3 LYS A 98 -23.402 -1.991 15.105 1.00 12.50 H new ATOM 0 HE2 LYS A 98 -25.826 -2.212 14.564 1.00 13.94 H new ATOM 0 HE3 LYS A 98 -25.617 -3.927 14.268 1.00 13.94 H new ATOM 0 HZ1 LYS A 98 -26.504 -3.517 16.457 1.00 14.76 H new ATOM 0 HZ2 LYS A 98 -24.962 -4.217 16.577 1.00 14.76 H new ATOM 0 HZ3 LYS A 98 -25.165 -2.556 16.863 1.00 14.76 H new TER 1641 LYS A 98 ATOM 1642 N MET B 1 -17.052 -4.043 14.376 1.00 4.77 N ATOM 1643 CA MET B 1 -16.252 -4.684 13.308 1.00 4.22 C ATOM 1644 C MET B 1 -16.906 -4.370 11.957 1.00 4.47 C ATOM 1645 O MET B 1 -17.464 -3.273 11.839 1.00 5.44 O ATOM 1646 CB MET B 1 -16.030 -6.208 13.558 1.00 4.32 C ATOM 1647 CG MET B 1 -16.062 -7.040 14.876 1.00 5.10 C ATOM 1648 SD MET B 1 -16.209 -6.130 16.451 1.00 5.51 S ATOM 1649 CE MET B 1 -14.514 -5.547 16.718 1.00 5.91 C ATOM 0 H1 MET B 1 -17.033 -4.638 15.228 1.00 4.77 H new ATOM 0 H2 MET B 1 -16.651 -3.109 14.597 1.00 4.77 H new ATOM 0 H3 MET B 1 -18.034 -3.930 14.054 1.00 4.77 H new ATOM 0 HA MET B 1 -15.244 -4.270 13.307 1.00 4.22 H new ATOM 0 HB2 MET B 1 -16.760 -6.696 12.913 1.00 4.32 H new ATOM 0 HB3 MET B 1 -15.046 -6.410 13.135 1.00 4.32 H new ATOM 0 HG2 MET B 1 -16.898 -7.737 14.812 1.00 5.10 H new ATOM 0 HG3 MET B 1 -15.151 -7.637 14.918 1.00 5.10 H new ATOM 0 HE1 MET B 1 -14.467 -4.977 17.646 1.00 5.91 H new ATOM 0 HE2 MET B 1 -13.841 -6.402 16.783 1.00 5.91 H new ATOM 0 HE3 MET B 1 -14.213 -4.910 15.886 1.00 5.91 H new ATOM 1661 N ALA B 2 -16.852 -5.310 11.005 1.00 4.19 N ATOM 1662 CA ALA B 2 -17.434 -5.248 9.660 1.00 4.60 C ATOM 1663 C ALA B 2 -16.507 -4.590 8.637 1.00 4.16 C ATOM 1664 O ALA B 2 -15.512 -3.972 9.015 1.00 4.45 O ATOM 1665 CB ALA B 2 -18.836 -4.630 9.662 1.00 6.34 C ATOM 0 H ALA B 2 -16.368 -6.193 11.166 1.00 4.19 H new ATOM 0 HA ALA B 2 -17.549 -6.282 9.334 1.00 4.60 H new ATOM 0 HB1 ALA B 2 -19.224 -4.606 8.644 1.00 6.34 H new ATOM 0 HB2 ALA B 2 -19.497 -5.229 10.289 1.00 6.34 H new ATOM 0 HB3 ALA B 2 -18.785 -3.615 10.055 1.00 6.34 H new ATOM 1671 N ALA B 3 -16.889 -4.754 7.363 1.00 4.41 N ATOM 1672 CA ALA B 3 -16.160 -4.508 6.118 1.00 4.71 C ATOM 1673 C ALA B 3 -15.648 -5.841 5.554 1.00 3.47 C ATOM 1674 O ALA B 3 -14.679 -6.387 6.071 1.00 3.88 O ATOM 1675 CB ALA B 3 -15.039 -3.468 6.255 1.00 6.27 C ATOM 0 H ALA B 3 -17.826 -5.103 7.161 1.00 4.41 H new ATOM 0 HA ALA B 3 -16.860 -4.064 5.410 1.00 4.71 H new ATOM 0 HB1 ALA B 3 -14.544 -3.338 5.293 1.00 6.27 H new ATOM 0 HB2 ALA B 3 -15.463 -2.516 6.576 1.00 6.27 H new ATOM 0 HB3 ALA B 3 -14.314 -3.810 6.993 1.00 6.27 H new ATOM 1681 N GLU B 4 -16.355 -6.396 4.555 1.00 2.96 N ATOM 1682 CA GLU B 4 -16.301 -7.793 4.186 1.00 2.53 C ATOM 1683 C GLU B 4 -16.134 -8.047 2.661 1.00 2.14 C ATOM 1684 O GLU B 4 -15.021 -8.379 2.266 1.00 1.83 O ATOM 1685 CB GLU B 4 -17.509 -8.439 4.877 1.00 3.11 C ATOM 1686 CG GLU B 4 -17.546 -9.932 4.631 1.00 3.65 C ATOM 1687 CD GLU B 4 -18.556 -10.593 5.558 1.00 5.00 C ATOM 1688 OE1 GLU B 4 -18.199 -10.783 6.740 1.00 5.79 O ATOM 1689 OE2 GLU B 4 -19.683 -10.836 5.079 1.00 5.63 O ATOM 0 H GLU B 4 -16.995 -5.855 3.973 1.00 2.96 H new ATOM 0 HA GLU B 4 -15.390 -8.278 4.536 1.00 2.53 H new ATOM 0 HB2 GLU B 4 -17.465 -8.245 5.949 1.00 3.11 H new ATOM 0 HB3 GLU B 4 -18.428 -7.984 4.508 1.00 3.11 H new ATOM 0 HG2 GLU B 4 -17.811 -10.130 3.592 1.00 3.65 H new ATOM 0 HG3 GLU B 4 -16.557 -10.360 4.795 1.00 3.65 H new ATOM 1696 N PRO B 5 -17.162 -7.947 1.786 1.00 2.56 N ATOM 1697 CA PRO B 5 -17.057 -8.366 0.379 1.00 2.38 C ATOM 1698 C PRO B 5 -16.249 -7.380 -0.476 1.00 1.83 C ATOM 1699 O PRO B 5 -16.138 -6.212 -0.105 1.00 2.35 O ATOM 1700 CB PRO B 5 -18.500 -8.450 -0.122 1.00 3.35 C ATOM 1701 CG PRO B 5 -19.201 -7.375 0.710 1.00 3.95 C ATOM 1702 CD PRO B 5 -18.530 -7.548 2.072 1.00 3.51 C ATOM 0 HA PRO B 5 -16.526 -9.315 0.301 1.00 2.38 H new ATOM 0 HB2 PRO B 5 -18.571 -8.247 -1.191 1.00 3.35 H new ATOM 0 HB3 PRO B 5 -18.931 -9.437 0.044 1.00 3.35 H new ATOM 0 HG2 PRO B 5 -19.046 -6.376 0.302 1.00 3.95 H new ATOM 0 HG3 PRO B 5 -20.278 -7.535 0.761 1.00 3.95 H new ATOM 0 HD2 PRO B 5 -18.556 -6.620 2.643 1.00 3.51 H new ATOM 0 HD3 PRO B 5 -19.042 -8.303 2.668 1.00 3.51 H new ATOM 1710 N LEU B 6 -15.678 -7.835 -1.609 1.00 1.41 N ATOM 1711 CA LEU B 6 -14.657 -7.099 -2.338 1.00 1.35 C ATOM 1712 C LEU B 6 -14.864 -7.256 -3.855 1.00 1.32 C ATOM 1713 O LEU B 6 -15.068 -8.378 -4.318 1.00 1.82 O ATOM 1714 CB LEU B 6 -13.297 -7.691 -1.933 1.00 2.09 C ATOM 1715 CG LEU B 6 -13.036 -7.707 -0.414 1.00 2.02 C ATOM 1716 CD1 LEU B 6 -11.836 -8.599 -0.112 1.00 2.97 C ATOM 1717 CD2 LEU B 6 -12.777 -6.312 0.170 1.00 2.66 C ATOM 0 H LEU B 6 -15.922 -8.729 -2.036 1.00 1.41 H new ATOM 0 HA LEU B 6 -14.708 -6.036 -2.101 1.00 1.35 H new ATOM 0 HB2 LEU B 6 -13.231 -8.711 -2.311 1.00 2.09 H new ATOM 0 HB3 LEU B 6 -12.506 -7.119 -2.419 1.00 2.09 H new ATOM 0 HG LEU B 6 -13.941 -8.093 0.055 1.00 2.02 H new ATOM 0 HD11 LEU B 6 -11.652 -8.610 0.962 1.00 2.97 H new ATOM 0 HD12 LEU B 6 -12.041 -9.613 -0.455 1.00 2.97 H new ATOM 0 HD13 LEU B 6 -10.957 -8.212 -0.627 1.00 2.97 H new ATOM 0 HD21 LEU B 6 -12.601 -6.394 1.243 1.00 2.66 H new ATOM 0 HD22 LEU B 6 -11.902 -5.874 -0.309 1.00 2.66 H new ATOM 0 HD23 LEU B 6 -13.644 -5.676 -0.008 1.00 2.66 H new ATOM 1729 N THR B 7 -14.786 -6.165 -4.632 1.00 1.16 N ATOM 1730 CA THR B 7 -14.476 -6.211 -6.066 1.00 1.28 C ATOM 1731 C THR B 7 -12.981 -6.516 -6.270 1.00 1.29 C ATOM 1732 O THR B 7 -12.352 -7.111 -5.403 1.00 1.94 O ATOM 1733 CB THR B 7 -14.924 -4.923 -6.789 1.00 1.40 C ATOM 1734 OG1 THR B 7 -14.776 -5.064 -8.190 1.00 1.69 O ATOM 1735 CG2 THR B 7 -14.150 -3.675 -6.356 1.00 1.33 C ATOM 0 H THR B 7 -14.938 -5.220 -4.279 1.00 1.16 H new ATOM 0 HA THR B 7 -15.046 -7.021 -6.522 1.00 1.28 H new ATOM 0 HB THR B 7 -15.969 -4.785 -6.512 1.00 1.40 H new ATOM 0 HG1 THR B 7 -15.066 -4.240 -8.634 1.00 1.69 H new ATOM 0 HG21 THR B 7 -14.519 -2.809 -6.906 1.00 1.33 H new ATOM 0 HG22 THR B 7 -14.290 -3.513 -5.287 1.00 1.33 H new ATOM 0 HG23 THR B 7 -13.089 -3.813 -6.566 1.00 1.33 H new ATOM 1743 N GLU B 8 -12.387 -6.107 -7.395 1.00 1.15 N ATOM 1744 CA GLU B 8 -11.096 -6.623 -7.813 1.00 1.23 C ATOM 1745 C GLU B 8 -9.940 -5.877 -7.143 1.00 1.05 C ATOM 1746 O GLU B 8 -9.199 -6.488 -6.383 1.00 1.03 O ATOM 1747 CB GLU B 8 -11.017 -6.638 -9.329 1.00 1.59 C ATOM 1748 CG GLU B 8 -9.801 -7.438 -9.793 1.00 1.94 C ATOM 1749 CD GLU B 8 -9.661 -7.334 -11.311 1.00 2.29 C ATOM 1750 OE1 GLU B 8 -9.991 -6.243 -11.836 1.00 2.15 O ATOM 1751 OE2 GLU B 8 -9.254 -8.344 -11.920 1.00 3.10 O ATOM 0 H GLU B 8 -12.788 -5.417 -8.030 1.00 1.15 H new ATOM 0 HA GLU B 8 -10.995 -7.654 -7.475 1.00 1.23 H new ATOM 0 HB2 GLU B 8 -11.926 -7.075 -9.742 1.00 1.59 H new ATOM 0 HB3 GLU B 8 -10.954 -5.617 -9.706 1.00 1.59 H new ATOM 0 HG2 GLU B 8 -8.900 -7.061 -9.309 1.00 1.94 H new ATOM 0 HG3 GLU B 8 -9.908 -8.482 -9.499 1.00 1.94 H new ATOM 1758 N LEU B 9 -9.762 -4.564 -7.352 1.00 1.00 N ATOM 1759 CA LEU B 9 -8.818 -3.826 -6.507 1.00 0.96 C ATOM 1760 C LEU B 9 -9.019 -4.144 -5.020 1.00 0.89 C ATOM 1761 O LEU B 9 -8.051 -4.396 -4.299 1.00 0.86 O ATOM 1762 CB LEU B 9 -8.910 -2.316 -6.777 1.00 0.98 C ATOM 1763 CG LEU B 9 -7.914 -1.940 -7.881 1.00 1.03 C ATOM 1764 CD1 LEU B 9 -8.244 -0.583 -8.502 1.00 1.08 C ATOM 1765 CD2 LEU B 9 -6.493 -1.845 -7.297 1.00 1.26 C ATOM 0 H LEU B 9 -10.237 -4.013 -8.067 1.00 1.00 H new ATOM 0 HA LEU B 9 -7.812 -4.154 -6.769 1.00 0.96 H new ATOM 0 HB2 LEU B 9 -9.923 -2.049 -7.078 1.00 0.98 H new ATOM 0 HB3 LEU B 9 -8.691 -1.758 -5.867 1.00 0.98 H new ATOM 0 HG LEU B 9 -7.978 -2.716 -8.644 1.00 1.03 H new ATOM 0 HD11 LEU B 9 -7.516 -0.352 -9.280 1.00 1.08 H new ATOM 0 HD12 LEU B 9 -9.243 -0.615 -8.938 1.00 1.08 H new ATOM 0 HD13 LEU B 9 -8.209 0.188 -7.732 1.00 1.08 H new ATOM 0 HD21 LEU B 9 -5.792 -1.578 -8.088 1.00 1.26 H new ATOM 0 HD22 LEU B 9 -6.470 -1.083 -6.518 1.00 1.26 H new ATOM 0 HD23 LEU B 9 -6.210 -2.807 -6.871 1.00 1.26 H new ATOM 1777 N GLU B 10 -10.283 -4.181 -4.593 1.00 0.90 N ATOM 1778 CA GLU B 10 -10.690 -4.586 -3.259 1.00 0.87 C ATOM 1779 C GLU B 10 -10.126 -5.984 -2.887 1.00 1.00 C ATOM 1780 O GLU B 10 -9.617 -6.162 -1.783 1.00 1.38 O ATOM 1781 CB GLU B 10 -12.225 -4.467 -3.154 1.00 0.94 C ATOM 1782 CG GLU B 10 -12.784 -3.047 -3.426 1.00 1.58 C ATOM 1783 CD GLU B 10 -14.302 -2.887 -3.226 1.00 2.22 C ATOM 1784 OE1 GLU B 10 -14.969 -3.936 -3.140 1.00 2.94 O ATOM 1785 OE2 GLU B 10 -14.800 -1.731 -3.219 1.00 3.07 O ATOM 0 H GLU B 10 -11.069 -3.921 -5.188 1.00 0.90 H new ATOM 0 HA GLU B 10 -10.260 -3.920 -2.511 1.00 0.87 H new ATOM 0 HB2 GLU B 10 -12.679 -5.163 -3.860 1.00 0.94 H new ATOM 0 HB3 GLU B 10 -12.533 -4.779 -2.156 1.00 0.94 H new ATOM 0 HG2 GLU B 10 -12.272 -2.342 -2.772 1.00 1.58 H new ATOM 0 HG3 GLU B 10 -12.538 -2.768 -4.451 1.00 1.58 H new ATOM 1792 N GLU B 11 -10.178 -6.989 -3.771 1.00 0.93 N ATOM 1793 CA GLU B 11 -9.648 -8.324 -3.477 1.00 0.98 C ATOM 1794 C GLU B 11 -8.112 -8.346 -3.512 1.00 0.96 C ATOM 1795 O GLU B 11 -7.473 -8.993 -2.684 1.00 1.01 O ATOM 1796 CB GLU B 11 -10.368 -9.411 -4.302 1.00 1.38 C ATOM 1797 CG GLU B 11 -9.909 -9.717 -5.722 1.00 1.57 C ATOM 1798 CD GLU B 11 -8.729 -10.679 -5.772 1.00 2.78 C ATOM 1799 OE1 GLU B 11 -8.985 -11.890 -5.607 1.00 3.50 O ATOM 1800 OE2 GLU B 11 -7.596 -10.185 -5.962 1.00 3.86 O ATOM 0 H GLU B 11 -10.585 -6.900 -4.702 1.00 0.93 H new ATOM 0 HA GLU B 11 -9.882 -8.585 -2.445 1.00 0.98 H new ATOM 0 HB2 GLU B 11 -10.310 -10.340 -3.735 1.00 1.38 H new ATOM 0 HB3 GLU B 11 -11.421 -9.134 -4.354 1.00 1.38 H new ATOM 0 HG2 GLU B 11 -10.741 -10.142 -6.283 1.00 1.57 H new ATOM 0 HG3 GLU B 11 -9.633 -8.786 -6.217 1.00 1.57 H new ATOM 1807 N SER B 12 -7.515 -7.561 -4.409 1.00 0.94 N ATOM 1808 CA SER B 12 -6.072 -7.428 -4.532 1.00 0.91 C ATOM 1809 C SER B 12 -5.464 -6.922 -3.218 1.00 0.89 C ATOM 1810 O SER B 12 -4.497 -7.497 -2.715 1.00 1.01 O ATOM 1811 CB SER B 12 -5.736 -6.537 -5.731 1.00 0.98 C ATOM 1812 OG SER B 12 -4.341 -6.523 -5.963 1.00 1.81 O ATOM 0 H SER B 12 -8.033 -6.993 -5.079 1.00 0.94 H new ATOM 0 HA SER B 12 -5.624 -8.404 -4.720 1.00 0.91 H new ATOM 0 HB2 SER B 12 -6.254 -6.901 -6.618 1.00 0.98 H new ATOM 0 HB3 SER B 12 -6.090 -5.523 -5.548 1.00 0.98 H new ATOM 0 HG SER B 12 -4.165 -6.234 -6.883 1.00 1.81 H new ATOM 1818 N ILE B 13 -6.040 -5.874 -2.611 1.00 0.81 N ATOM 1819 CA ILE B 13 -5.586 -5.481 -1.275 1.00 0.85 C ATOM 1820 C ILE B 13 -5.729 -6.628 -0.274 1.00 0.94 C ATOM 1821 O ILE B 13 -4.840 -6.819 0.556 1.00 1.00 O ATOM 1822 CB ILE B 13 -6.138 -4.129 -0.769 1.00 0.93 C ATOM 1823 CG1 ILE B 13 -7.642 -3.898 -0.963 1.00 0.93 C ATOM 1824 CG2 ILE B 13 -5.355 -3.012 -1.474 1.00 0.90 C ATOM 1825 CD1 ILE B 13 -8.460 -4.377 0.234 1.00 1.14 C ATOM 0 H ILE B 13 -6.790 -5.306 -3.005 1.00 0.81 H new ATOM 0 HA ILE B 13 -4.519 -5.280 -1.373 1.00 0.85 H new ATOM 0 HB ILE B 13 -6.004 -4.133 0.313 1.00 0.93 H new ATOM 0 HG12 ILE B 13 -7.826 -2.836 -1.125 1.00 0.93 H new ATOM 0 HG13 ILE B 13 -7.975 -4.420 -1.860 1.00 0.93 H new ATOM 0 HG21 ILE B 13 -5.722 -2.042 -1.137 1.00 0.90 H new ATOM 0 HG22 ILE B 13 -4.296 -3.103 -1.234 1.00 0.90 H new ATOM 0 HG23 ILE B 13 -5.491 -3.097 -2.552 1.00 0.90 H new ATOM 0 HD11 ILE B 13 -9.518 -4.192 0.049 1.00 1.14 H new ATOM 0 HD12 ILE B 13 -8.299 -5.445 0.381 1.00 1.14 H new ATOM 0 HD13 ILE B 13 -8.148 -3.837 1.128 1.00 1.14 H new ATOM 1837 N GLU B 14 -6.790 -7.435 -0.371 1.00 0.98 N ATOM 1838 CA GLU B 14 -6.913 -8.602 0.487 1.00 1.10 C ATOM 1839 C GLU B 14 -5.713 -9.528 0.291 1.00 1.06 C ATOM 1840 O GLU B 14 -5.024 -9.814 1.263 1.00 1.14 O ATOM 1841 CB GLU B 14 -8.247 -9.331 0.291 1.00 1.24 C ATOM 1842 CG GLU B 14 -8.762 -9.925 1.614 1.00 1.33 C ATOM 1843 CD GLU B 14 -7.765 -10.869 2.276 1.00 2.08 C ATOM 1844 OE1 GLU B 14 -7.444 -11.897 1.641 1.00 2.98 O ATOM 1845 OE2 GLU B 14 -7.324 -10.538 3.397 1.00 2.66 O ATOM 0 H GLU B 14 -7.561 -7.300 -1.025 1.00 0.98 H new ATOM 0 HA GLU B 14 -6.912 -8.261 1.522 1.00 1.10 H new ATOM 0 HB2 GLU B 14 -8.986 -8.638 -0.111 1.00 1.24 H new ATOM 0 HB3 GLU B 14 -8.124 -10.127 -0.443 1.00 1.24 H new ATOM 0 HG2 GLU B 14 -8.996 -9.113 2.303 1.00 1.33 H new ATOM 0 HG3 GLU B 14 -9.692 -10.462 1.426 1.00 1.33 H new ATOM 1852 N THR B 15 -5.417 -9.965 -0.942 1.00 0.99 N ATOM 1853 CA THR B 15 -4.385 -10.986 -1.135 1.00 1.01 C ATOM 1854 C THR B 15 -3.042 -10.598 -0.494 1.00 1.05 C ATOM 1855 O THR B 15 -2.338 -11.472 0.005 1.00 1.25 O ATOM 1856 CB THR B 15 -4.265 -11.488 -2.588 1.00 1.04 C ATOM 1857 OG1 THR B 15 -3.597 -12.739 -2.605 1.00 1.37 O ATOM 1858 CG2 THR B 15 -3.525 -10.555 -3.546 1.00 0.97 C ATOM 0 H THR B 15 -5.865 -9.636 -1.797 1.00 0.99 H new ATOM 0 HA THR B 15 -4.730 -11.860 -0.583 1.00 1.01 H new ATOM 0 HB THR B 15 -5.293 -11.551 -2.944 1.00 1.04 H new ATOM 0 HG1 THR B 15 -3.523 -13.058 -3.529 1.00 1.37 H new ATOM 0 HG21 THR B 15 -3.497 -11.002 -4.540 1.00 0.97 H new ATOM 0 HG22 THR B 15 -4.043 -9.597 -3.593 1.00 0.97 H new ATOM 0 HG23 THR B 15 -2.507 -10.400 -3.189 1.00 0.97 H new ATOM 1866 N VAL B 16 -2.687 -9.307 -0.461 1.00 0.93 N ATOM 1867 CA VAL B 16 -1.497 -8.861 0.265 1.00 0.93 C ATOM 1868 C VAL B 16 -1.757 -8.777 1.773 1.00 1.00 C ATOM 1869 O VAL B 16 -0.924 -9.226 2.564 1.00 1.08 O ATOM 1870 CB VAL B 16 -0.898 -7.565 -0.312 1.00 0.85 C ATOM 1871 CG1 VAL B 16 -0.478 -7.788 -1.766 1.00 0.88 C ATOM 1872 CG2 VAL B 16 -1.828 -6.351 -0.256 1.00 0.85 C ATOM 0 H VAL B 16 -3.204 -8.560 -0.925 1.00 0.93 H new ATOM 0 HA VAL B 16 -0.732 -9.623 0.119 1.00 0.93 H new ATOM 0 HB VAL B 16 -0.044 -7.336 0.325 1.00 0.85 H new ATOM 0 HG11 VAL B 16 -0.055 -6.867 -2.168 1.00 0.88 H new ATOM 0 HG12 VAL B 16 0.269 -8.580 -1.811 1.00 0.88 H new ATOM 0 HG13 VAL B 16 -1.348 -8.075 -2.356 1.00 0.88 H new ATOM 0 HG21 VAL B 16 -1.322 -5.485 -0.684 1.00 0.85 H new ATOM 0 HG22 VAL B 16 -2.734 -6.560 -0.825 1.00 0.85 H new ATOM 0 HG23 VAL B 16 -2.091 -6.142 0.781 1.00 0.85 H new ATOM 1882 N VAL B 17 -2.901 -8.216 2.188 1.00 0.98 N ATOM 1883 CA VAL B 17 -3.274 -8.134 3.596 1.00 1.03 C ATOM 1884 C VAL B 17 -3.209 -9.517 4.249 1.00 1.08 C ATOM 1885 O VAL B 17 -2.627 -9.642 5.322 1.00 1.14 O ATOM 1886 CB VAL B 17 -4.640 -7.443 3.772 1.00 1.05 C ATOM 1887 CG1 VAL B 17 -5.223 -7.644 5.179 1.00 1.14 C ATOM 1888 CG2 VAL B 17 -4.500 -5.932 3.531 1.00 1.03 C ATOM 0 H VAL B 17 -3.589 -7.809 1.554 1.00 0.98 H new ATOM 0 HA VAL B 17 -2.551 -7.506 4.117 1.00 1.03 H new ATOM 0 HB VAL B 17 -5.314 -7.898 3.046 1.00 1.05 H new ATOM 0 HG11 VAL B 17 -6.185 -7.137 5.250 1.00 1.14 H new ATOM 0 HG12 VAL B 17 -5.359 -8.709 5.368 1.00 1.14 H new ATOM 0 HG13 VAL B 17 -4.539 -7.229 5.919 1.00 1.14 H new ATOM 0 HG21 VAL B 17 -5.470 -5.452 3.658 1.00 1.03 H new ATOM 0 HG22 VAL B 17 -3.792 -5.514 4.246 1.00 1.03 H new ATOM 0 HG23 VAL B 17 -4.138 -5.757 2.518 1.00 1.03 H new ATOM 1898 N THR B 18 -3.762 -10.557 3.624 1.00 1.10 N ATOM 1899 CA THR B 18 -3.715 -11.906 4.173 1.00 1.16 C ATOM 1900 C THR B 18 -2.272 -12.411 4.296 1.00 1.15 C ATOM 1901 O THR B 18 -1.910 -12.912 5.360 1.00 1.18 O ATOM 1902 CB THR B 18 -4.671 -12.857 3.437 1.00 1.26 C ATOM 1903 OG1 THR B 18 -4.730 -14.103 4.103 1.00 1.27 O ATOM 1904 CG2 THR B 18 -4.288 -13.091 1.979 1.00 1.46 C ATOM 0 H THR B 18 -4.250 -10.486 2.731 1.00 1.10 H new ATOM 0 HA THR B 18 -4.092 -11.876 5.195 1.00 1.16 H new ATOM 0 HB THR B 18 -5.646 -12.370 3.444 1.00 1.26 H new ATOM 0 HG1 THR B 18 -5.343 -14.700 3.626 1.00 1.27 H new ATOM 0 HG21 THR B 18 -5.005 -13.772 1.519 1.00 1.46 H new ATOM 0 HG22 THR B 18 -4.295 -12.141 1.444 1.00 1.46 H new ATOM 0 HG23 THR B 18 -3.290 -13.528 1.930 1.00 1.46 H new ATOM 1912 N THR B 19 -1.404 -12.254 3.284 1.00 1.15 N ATOM 1913 CA THR B 19 0.003 -12.620 3.425 1.00 1.15 C ATOM 1914 C THR B 19 0.607 -11.902 4.637 1.00 1.13 C ATOM 1915 O THR B 19 1.209 -12.517 5.517 1.00 1.18 O ATOM 1916 CB THR B 19 0.756 -12.269 2.134 1.00 1.16 C ATOM 1917 OG1 THR B 19 0.055 -12.785 1.027 1.00 1.13 O ATOM 1918 CG2 THR B 19 2.180 -12.831 2.125 1.00 1.20 C ATOM 0 H THR B 19 -1.654 -11.879 2.369 1.00 1.15 H new ATOM 0 HA THR B 19 0.092 -13.694 3.591 1.00 1.15 H new ATOM 0 HB THR B 19 0.822 -11.182 2.079 1.00 1.16 H new ATOM 0 HG1 THR B 19 -0.617 -12.135 0.734 1.00 1.13 H new ATOM 0 HG21 THR B 19 2.673 -12.557 1.192 1.00 1.20 H new ATOM 0 HG22 THR B 19 2.739 -12.419 2.965 1.00 1.20 H new ATOM 0 HG23 THR B 19 2.143 -13.917 2.211 1.00 1.20 H new ATOM 1926 N PHE B 20 0.407 -10.585 4.696 1.00 1.08 N ATOM 1927 CA PHE B 20 0.909 -9.752 5.774 1.00 1.17 C ATOM 1928 C PHE B 20 0.429 -10.282 7.131 1.00 1.16 C ATOM 1929 O PHE B 20 1.235 -10.491 8.036 1.00 1.20 O ATOM 1930 CB PHE B 20 0.501 -8.289 5.515 1.00 1.28 C ATOM 1931 CG PHE B 20 1.485 -7.498 4.663 1.00 3.17 C ATOM 1932 CD1 PHE B 20 2.147 -8.105 3.578 1.00 5.11 C ATOM 1933 CD2 PHE B 20 1.828 -6.180 5.023 1.00 3.75 C ATOM 1934 CE1 PHE B 20 3.251 -7.474 2.983 1.00 7.01 C ATOM 1935 CE2 PHE B 20 2.963 -5.568 4.462 1.00 5.63 C ATOM 1936 CZ PHE B 20 3.708 -6.243 3.481 1.00 7.13 C ATOM 0 H PHE B 20 -0.113 -10.068 3.987 1.00 1.08 H new ATOM 0 HA PHE B 20 1.998 -9.788 5.805 1.00 1.17 H new ATOM 0 HB2 PHE B 20 -0.473 -8.278 5.026 1.00 1.28 H new ATOM 0 HB3 PHE B 20 0.382 -7.784 6.473 1.00 1.28 H new ATOM 0 HD1 PHE B 20 1.805 -9.058 3.203 1.00 5.11 H new ATOM 0 HD2 PHE B 20 1.218 -5.639 5.731 1.00 3.75 H new ATOM 0 HE1 PHE B 20 3.749 -7.935 2.143 1.00 7.01 H new ATOM 0 HE2 PHE B 20 3.261 -4.581 4.785 1.00 5.63 H new ATOM 0 HZ PHE B 20 4.629 -5.817 3.111 1.00 7.13 H new ATOM 1946 N PHE B 21 -0.879 -10.505 7.261 1.00 1.16 N ATOM 1947 CA PHE B 21 -1.570 -10.923 8.472 1.00 1.16 C ATOM 1948 C PHE B 21 -1.114 -12.314 8.920 1.00 1.12 C ATOM 1949 O PHE B 21 -0.782 -12.522 10.085 1.00 1.14 O ATOM 1950 CB PHE B 21 -3.082 -10.879 8.202 1.00 1.24 C ATOM 1951 CG PHE B 21 -3.989 -11.139 9.390 1.00 1.26 C ATOM 1952 CD1 PHE B 21 -3.978 -10.258 10.489 1.00 2.48 C ATOM 1953 CD2 PHE B 21 -4.966 -12.150 9.323 1.00 2.11 C ATOM 1954 CE1 PHE B 21 -4.938 -10.383 11.508 1.00 2.73 C ATOM 1955 CE2 PHE B 21 -5.937 -12.264 10.335 1.00 2.29 C ATOM 1956 CZ PHE B 21 -5.930 -11.374 11.421 1.00 1.93 C ATOM 0 H PHE B 21 -1.519 -10.391 6.475 1.00 1.16 H new ATOM 0 HA PHE B 21 -1.328 -10.245 9.290 1.00 1.16 H new ATOM 0 HB2 PHE B 21 -3.327 -9.899 7.793 1.00 1.24 H new ATOM 0 HB3 PHE B 21 -3.312 -11.613 7.430 1.00 1.24 H new ATOM 0 HD1 PHE B 21 -3.228 -9.483 10.549 1.00 2.48 H new ATOM 0 HD2 PHE B 21 -4.970 -12.840 8.492 1.00 2.11 H new ATOM 0 HE1 PHE B 21 -4.913 -9.717 12.358 1.00 2.73 H new ATOM 0 HE2 PHE B 21 -6.689 -13.037 10.276 1.00 2.29 H new ATOM 0 HZ PHE B 21 -6.686 -11.451 12.188 1.00 1.93 H new ATOM 1966 N THR B 22 -1.075 -13.275 7.996 1.00 1.12 N ATOM 1967 CA THR B 22 -0.591 -14.612 8.298 1.00 1.18 C ATOM 1968 C THR B 22 0.838 -14.526 8.834 1.00 1.13 C ATOM 1969 O THR B 22 1.095 -14.989 9.940 1.00 1.15 O ATOM 1970 CB THR B 22 -0.722 -15.551 7.090 1.00 1.32 C ATOM 1971 OG1 THR B 22 -0.149 -14.979 5.937 1.00 2.16 O ATOM 1972 CG2 THR B 22 -2.190 -15.887 6.807 1.00 1.50 C ATOM 0 H THR B 22 -1.375 -13.146 7.030 1.00 1.12 H new ATOM 0 HA THR B 22 -1.215 -15.052 9.076 1.00 1.18 H new ATOM 0 HB THR B 22 -0.187 -16.468 7.339 1.00 1.32 H new ATOM 0 HG1 THR B 22 -0.740 -14.277 5.592 1.00 2.16 H new ATOM 0 HG21 THR B 22 -2.251 -16.553 5.947 1.00 1.50 H new ATOM 0 HG22 THR B 22 -2.625 -16.378 7.678 1.00 1.50 H new ATOM 0 HG23 THR B 22 -2.739 -14.969 6.595 1.00 1.50 H new ATOM 1980 N PHE B 23 1.756 -13.870 8.117 1.00 1.21 N ATOM 1981 CA PHE B 23 3.111 -13.669 8.629 1.00 1.23 C ATOM 1982 C PHE B 23 3.092 -12.961 9.992 1.00 1.18 C ATOM 1983 O PHE B 23 3.835 -13.322 10.900 1.00 1.28 O ATOM 1984 CB PHE B 23 3.978 -12.919 7.608 1.00 1.33 C ATOM 1985 CG PHE B 23 4.629 -13.831 6.582 1.00 1.48 C ATOM 1986 CD1 PHE B 23 3.838 -14.524 5.646 1.00 2.47 C ATOM 1987 CD2 PHE B 23 6.013 -14.094 6.650 1.00 2.36 C ATOM 1988 CE1 PHE B 23 4.423 -15.459 4.778 1.00 3.07 C ATOM 1989 CE2 PHE B 23 6.597 -15.031 5.780 1.00 2.78 C ATOM 1990 CZ PHE B 23 5.804 -15.706 4.838 1.00 2.78 C ATOM 0 H PHE B 23 1.587 -13.474 7.192 1.00 1.21 H new ATOM 0 HA PHE B 23 3.563 -14.649 8.783 1.00 1.23 H new ATOM 0 HB2 PHE B 23 3.362 -12.184 7.090 1.00 1.33 H new ATOM 0 HB3 PHE B 23 4.755 -12.368 8.138 1.00 1.33 H new ATOM 0 HD1 PHE B 23 2.776 -14.335 5.596 1.00 2.47 H new ATOM 0 HD2 PHE B 23 6.625 -13.574 7.372 1.00 2.36 H new ATOM 0 HE1 PHE B 23 3.811 -15.989 4.063 1.00 3.07 H new ATOM 0 HE2 PHE B 23 7.657 -15.232 5.836 1.00 2.78 H new ATOM 0 HZ PHE B 23 6.256 -16.415 4.160 1.00 2.78 H new ATOM 2000 N ALA B 24 2.208 -11.981 10.167 1.00 1.08 N ATOM 2001 CA ALA B 24 2.059 -11.224 11.398 1.00 1.06 C ATOM 2002 C ALA B 24 1.763 -12.147 12.568 1.00 1.19 C ATOM 2003 O ALA B 24 2.114 -11.804 13.699 1.00 1.21 O ATOM 2004 CB ALA B 24 0.955 -10.163 11.294 1.00 1.02 C ATOM 0 H ALA B 24 1.561 -11.688 9.435 1.00 1.08 H new ATOM 0 HA ALA B 24 3.007 -10.713 11.567 1.00 1.06 H new ATOM 0 HB1 ALA B 24 0.880 -9.622 12.237 1.00 1.02 H new ATOM 0 HB2 ALA B 24 1.196 -9.464 10.493 1.00 1.02 H new ATOM 0 HB3 ALA B 24 0.003 -10.648 11.077 1.00 1.02 H new ATOM 2010 N ARG B 25 1.112 -13.291 12.326 1.00 1.30 N ATOM 2011 CA ARG B 25 0.846 -14.270 13.369 1.00 1.44 C ATOM 2012 C ARG B 25 2.124 -14.671 14.098 1.00 1.45 C ATOM 2013 O ARG B 25 2.035 -15.021 15.271 1.00 1.55 O ATOM 2014 CB ARG B 25 0.038 -15.473 12.835 1.00 1.66 C ATOM 2015 CG ARG B 25 0.871 -16.643 12.286 1.00 2.17 C ATOM 2016 CD ARG B 25 1.155 -17.721 13.344 1.00 2.43 C ATOM 2017 NE ARG B 25 2.309 -18.542 12.946 1.00 3.02 N ATOM 2018 CZ ARG B 25 3.040 -19.308 13.770 1.00 3.82 C ATOM 2019 NH1 ARG B 25 2.613 -19.571 15.008 1.00 4.64 N ATOM 2020 NH2 ARG B 25 4.208 -19.784 13.333 1.00 4.46 N ATOM 0 H ARG B 25 0.760 -13.556 11.406 1.00 1.30 H new ATOM 0 HA ARG B 25 0.209 -13.798 14.117 1.00 1.44 H new ATOM 0 HB2 ARG B 25 -0.596 -15.848 13.639 1.00 1.66 H new ATOM 0 HB3 ARG B 25 -0.625 -15.120 12.045 1.00 1.66 H new ATOM 0 HG2 ARG B 25 0.344 -17.095 11.446 1.00 2.17 H new ATOM 0 HG3 ARG B 25 1.816 -16.261 11.901 1.00 2.17 H new ATOM 0 HD2 ARG B 25 1.351 -17.251 14.308 1.00 2.43 H new ATOM 0 HD3 ARG B 25 0.277 -18.354 13.471 1.00 2.43 H new ATOM 0 HE ARG B 25 2.576 -18.528 11.962 1.00 3.02 H new ATOM 0 HH11 ARG B 25 1.725 -19.189 15.333 1.00 4.64 H new ATOM 0 HH12 ARG B 25 3.175 -20.154 15.628 1.00 4.64 H new ATOM 0 HH21 ARG B 25 4.528 -19.563 12.390 1.00 4.46 H new ATOM 0 HH22 ARG B 25 4.781 -20.368 13.942 1.00 4.46 H new ATOM 2034 N GLN B 26 3.274 -14.680 13.405 1.00 1.40 N ATOM 2035 CA GLN B 26 4.254 -15.710 13.684 1.00 1.46 C ATOM 2036 C GLN B 26 4.620 -15.907 15.155 1.00 1.61 C ATOM 2037 O GLN B 26 4.376 -16.996 15.679 1.00 1.74 O ATOM 2038 CB GLN B 26 5.512 -15.439 12.864 1.00 1.44 C ATOM 2039 CG GLN B 26 6.196 -16.697 12.379 1.00 1.54 C ATOM 2040 CD GLN B 26 5.519 -17.362 11.182 1.00 1.65 C ATOM 2041 OE1 GLN B 26 4.483 -18.016 11.329 1.00 1.75 O ATOM 2042 NE2 GLN B 26 6.113 -17.251 10.001 1.00 2.20 N ATOM 0 H GLN B 26 3.531 -14.011 12.679 1.00 1.40 H new ATOM 0 HA GLN B 26 3.776 -16.647 13.397 1.00 1.46 H new ATOM 0 HB2 GLN B 26 5.250 -14.822 12.004 1.00 1.44 H new ATOM 0 HB3 GLN B 26 6.213 -14.863 13.468 1.00 1.44 H new ATOM 0 HG2 GLN B 26 7.225 -16.456 12.112 1.00 1.54 H new ATOM 0 HG3 GLN B 26 6.239 -17.412 13.200 1.00 1.54 H new ATOM 0 HE21 GLN B 26 6.969 -16.703 9.910 1.00 2.20 H new ATOM 0 HE22 GLN B 26 5.714 -17.713 9.184 1.00 2.20 H new ATOM 2051 N GLU B 27 5.257 -14.913 15.786 1.00 1.67 N ATOM 2052 CA GLU B 27 5.722 -15.081 17.152 1.00 1.69 C ATOM 2053 C GLU B 27 4.686 -14.621 18.179 1.00 1.63 C ATOM 2054 O GLU B 27 3.999 -15.421 18.810 1.00 1.59 O ATOM 2055 CB GLU B 27 7.030 -14.286 17.276 1.00 1.89 C ATOM 2056 CG GLU B 27 8.187 -14.934 16.506 1.00 2.28 C ATOM 2057 CD GLU B 27 9.468 -14.132 16.673 1.00 2.89 C ATOM 2058 OE1 GLU B 27 9.385 -12.883 16.607 1.00 3.06 O ATOM 2059 OE2 GLU B 27 10.525 -14.767 16.879 1.00 3.70 O ATOM 0 H GLU B 27 5.456 -14.001 15.374 1.00 1.67 H new ATOM 0 HA GLU B 27 5.887 -16.137 17.365 1.00 1.69 H new ATOM 0 HB2 GLU B 27 6.873 -13.274 16.904 1.00 1.89 H new ATOM 0 HB3 GLU B 27 7.301 -14.201 18.328 1.00 1.89 H new ATOM 0 HG2 GLU B 27 8.342 -15.952 16.863 1.00 2.28 H new ATOM 0 HG3 GLU B 27 7.932 -15.003 15.449 1.00 2.28 H new ATOM 2066 N GLY B 28 4.558 -13.297 18.305 1.00 1.90 N ATOM 2067 CA GLY B 28 3.503 -12.586 19.004 1.00 1.96 C ATOM 2068 C GLY B 28 2.354 -12.244 18.071 1.00 1.57 C ATOM 2069 O GLY B 28 2.593 -12.096 16.873 1.00 1.63 O ATOM 0 H GLY B 28 5.237 -12.658 17.891 1.00 1.90 H new ATOM 0 HA2 GLY B 28 3.135 -13.197 19.829 1.00 1.96 H new ATOM 0 HA3 GLY B 28 3.905 -11.671 19.439 1.00 1.96 H new ATOM 2073 N ARG B 29 1.194 -11.897 18.641 1.00 1.56 N ATOM 2074 CA ARG B 29 0.274 -10.863 18.150 1.00 1.48 C ATOM 2075 C ARG B 29 0.166 -10.758 16.624 1.00 1.37 C ATOM 2076 O ARG B 29 1.054 -10.195 15.962 1.00 1.25 O ATOM 2077 CB ARG B 29 0.647 -9.513 18.774 1.00 1.46 C ATOM 2078 CG ARG B 29 -0.442 -8.452 18.547 1.00 1.86 C ATOM 2079 CD ARG B 29 -0.033 -7.109 19.162 1.00 1.89 C ATOM 2080 NE ARG B 29 -0.068 -7.130 20.634 1.00 2.46 N ATOM 2081 CZ ARG B 29 0.540 -6.225 21.423 1.00 3.25 C ATOM 2082 NH1 ARG B 29 1.331 -5.299 20.888 1.00 3.96 N ATOM 2083 NH2 ARG B 29 0.351 -6.246 22.747 1.00 4.12 N ATOM 0 H ARG B 29 0.856 -12.347 19.492 1.00 1.56 H new ATOM 0 HA ARG B 29 -0.723 -11.168 18.467 1.00 1.48 H new ATOM 0 HB2 ARG B 29 0.811 -9.641 19.844 1.00 1.46 H new ATOM 0 HB3 ARG B 29 1.587 -9.164 18.347 1.00 1.46 H new ATOM 0 HG2 ARG B 29 -0.618 -8.329 17.478 1.00 1.86 H new ATOM 0 HG3 ARG B 29 -1.380 -8.788 18.988 1.00 1.86 H new ATOM 0 HD2 ARG B 29 0.973 -6.852 18.829 1.00 1.89 H new ATOM 0 HD3 ARG B 29 -0.699 -6.328 18.797 1.00 1.89 H new ATOM 0 HE ARG B 29 -0.588 -7.882 21.086 1.00 2.46 H new ATOM 0 HH11 ARG B 29 1.477 -5.274 19.879 1.00 3.96 H new ATOM 0 HH12 ARG B 29 1.791 -4.614 21.487 1.00 3.96 H new ATOM 0 HH21 ARG B 29 -0.257 -6.951 23.164 1.00 4.12 H new ATOM 0 HH22 ARG B 29 0.815 -5.557 23.339 1.00 4.12 H new ATOM 2097 N LYS B 30 -0.927 -11.292 16.073 1.00 1.46 N ATOM 2098 CA LYS B 30 -1.168 -11.429 14.644 1.00 1.53 C ATOM 2099 C LYS B 30 -1.471 -10.120 13.904 1.00 1.60 C ATOM 2100 O LYS B 30 -2.249 -10.107 12.957 1.00 2.01 O ATOM 2101 CB LYS B 30 -2.266 -12.483 14.416 1.00 1.73 C ATOM 2102 CG LYS B 30 -3.636 -12.033 14.952 1.00 1.89 C ATOM 2103 CD LYS B 30 -4.679 -13.133 14.734 1.00 2.17 C ATOM 2104 CE LYS B 30 -6.029 -12.690 15.317 1.00 2.51 C ATOM 2105 NZ LYS B 30 -7.068 -13.731 15.169 1.00 3.36 N ATOM 0 H LYS B 30 -1.696 -11.654 16.637 1.00 1.46 H new ATOM 0 HA LYS B 30 -0.228 -11.760 14.201 1.00 1.53 H new ATOM 0 HB2 LYS B 30 -2.348 -12.693 13.349 1.00 1.73 H new ATOM 0 HB3 LYS B 30 -1.977 -13.415 14.903 1.00 1.73 H new ATOM 0 HG2 LYS B 30 -3.560 -11.800 16.014 1.00 1.89 H new ATOM 0 HG3 LYS B 30 -3.950 -11.120 14.447 1.00 1.89 H new ATOM 0 HD2 LYS B 30 -4.783 -13.343 13.669 1.00 2.17 H new ATOM 0 HD3 LYS B 30 -4.352 -14.057 15.211 1.00 2.17 H new ATOM 0 HE2 LYS B 30 -5.906 -12.449 16.373 1.00 2.51 H new ATOM 0 HE3 LYS B 30 -6.357 -11.778 14.818 1.00 2.51 H new ATOM 0 HZ1 LYS B 30 -7.962 -13.389 15.576 1.00 3.36 H new ATOM 0 HZ2 LYS B 30 -7.205 -13.943 14.160 1.00 3.36 H new ATOM 0 HZ3 LYS B 30 -6.768 -14.594 15.667 1.00 3.36 H new ATOM 2119 N ASP B 31 -0.850 -9.018 14.316 1.00 1.61 N ATOM 2120 CA ASP B 31 -1.222 -7.678 13.889 1.00 1.57 C ATOM 2121 C ASP B 31 0.032 -6.821 13.847 1.00 1.35 C ATOM 2122 O ASP B 31 0.314 -6.169 12.845 1.00 1.52 O ATOM 2123 CB ASP B 31 -2.262 -7.106 14.861 1.00 1.71 C ATOM 2124 CG ASP B 31 -3.555 -7.908 14.832 1.00 2.88 C ATOM 2125 OD1 ASP B 31 -4.373 -7.617 13.929 1.00 3.75 O ATOM 2126 OD2 ASP B 31 -3.707 -8.794 15.698 1.00 4.05 O ATOM 0 H ASP B 31 -0.063 -9.034 14.965 1.00 1.61 H new ATOM 0 HA ASP B 31 -1.668 -7.695 12.894 1.00 1.57 H new ATOM 0 HB2 ASP B 31 -1.855 -7.107 15.872 1.00 1.71 H new ATOM 0 HB3 ASP B 31 -2.471 -6.068 14.602 1.00 1.71 H new ATOM 2131 N SER B 32 0.788 -6.842 14.946 1.00 1.16 N ATOM 2132 CA SER B 32 2.084 -6.195 15.027 1.00 1.13 C ATOM 2133 C SER B 32 3.174 -7.152 14.537 1.00 1.18 C ATOM 2134 O SER B 32 3.227 -8.324 14.950 1.00 1.30 O ATOM 2135 CB SER B 32 2.336 -5.727 16.459 1.00 1.21 C ATOM 2136 OG SER B 32 1.254 -4.912 16.878 1.00 1.96 O ATOM 0 H SER B 32 0.510 -7.313 15.807 1.00 1.16 H new ATOM 0 HA SER B 32 2.103 -5.317 14.382 1.00 1.13 H new ATOM 0 HB2 SER B 32 2.439 -6.586 17.123 1.00 1.21 H new ATOM 0 HB3 SER B 32 3.270 -5.168 16.513 1.00 1.21 H new ATOM 0 HG SER B 32 1.366 -4.680 17.823 1.00 1.96 H new ATOM 2142 N LEU B 33 4.020 -6.644 13.641 1.00 1.13 N ATOM 2143 CA LEU B 33 5.215 -7.304 13.139 1.00 1.09 C ATOM 2144 C LEU B 33 6.385 -7.000 14.071 1.00 1.12 C ATOM 2145 O LEU B 33 6.326 -6.061 14.868 1.00 1.33 O ATOM 2146 CB LEU B 33 5.494 -6.847 11.701 1.00 1.03 C ATOM 2147 CG LEU B 33 4.797 -7.672 10.620 1.00 1.19 C ATOM 2148 CD1 LEU B 33 5.458 -9.033 10.415 1.00 2.44 C ATOM 2149 CD2 LEU B 33 3.309 -7.838 10.916 1.00 1.55 C ATOM 0 H LEU B 33 3.881 -5.721 13.230 1.00 1.13 H new ATOM 0 HA LEU B 33 5.071 -8.384 13.118 1.00 1.09 H new ATOM 0 HB2 LEU B 33 5.186 -5.806 11.599 1.00 1.03 H new ATOM 0 HB3 LEU B 33 6.569 -6.880 11.526 1.00 1.03 H new ATOM 0 HG LEU B 33 4.901 -7.114 9.690 1.00 1.19 H new ATOM 0 HD11 LEU B 33 4.927 -9.582 9.637 1.00 2.44 H new ATOM 0 HD12 LEU B 33 6.496 -8.892 10.115 1.00 2.44 H new ATOM 0 HD13 LEU B 33 5.423 -9.598 11.346 1.00 2.44 H new ATOM 0 HD21 LEU B 33 2.845 -8.430 10.127 1.00 1.55 H new ATOM 0 HD22 LEU B 33 3.183 -8.346 11.872 1.00 1.55 H new ATOM 0 HD23 LEU B 33 2.835 -6.857 10.960 1.00 1.55 H new ATOM 2161 N SER B 34 7.426 -7.830 14.000 1.00 1.37 N ATOM 2162 CA SER B 34 8.500 -7.866 14.980 1.00 1.29 C ATOM 2163 C SER B 34 9.772 -8.414 14.331 1.00 1.36 C ATOM 2164 O SER B 34 9.725 -8.971 13.235 1.00 1.68 O ATOM 2165 CB SER B 34 8.058 -8.743 16.166 1.00 1.43 C ATOM 2166 OG SER B 34 6.747 -8.387 16.575 1.00 2.18 O ATOM 0 H SER B 34 7.544 -8.506 13.245 1.00 1.37 H new ATOM 0 HA SER B 34 8.716 -6.862 15.345 1.00 1.29 H new ATOM 0 HB2 SER B 34 8.085 -9.795 15.880 1.00 1.43 H new ATOM 0 HB3 SER B 34 8.752 -8.621 16.997 1.00 1.43 H new ATOM 0 HG SER B 34 6.475 -8.951 17.328 1.00 2.18 H new ATOM 2172 N VAL B 35 10.900 -8.311 15.031 1.00 1.27 N ATOM 2173 CA VAL B 35 11.997 -9.245 14.860 1.00 1.66 C ATOM 2174 C VAL B 35 11.561 -10.397 15.767 1.00 2.08 C ATOM 2175 O VAL B 35 11.280 -10.123 16.932 1.00 3.69 O ATOM 2176 CB VAL B 35 13.329 -8.632 15.346 1.00 1.92 C ATOM 2177 CG1 VAL B 35 14.504 -9.395 14.726 1.00 2.72 C ATOM 2178 CG2 VAL B 35 13.456 -7.143 15.005 1.00 2.01 C ATOM 0 H VAL B 35 11.073 -7.583 15.725 1.00 1.27 H new ATOM 0 HA VAL B 35 12.178 -9.535 13.825 1.00 1.66 H new ATOM 0 HB VAL B 35 13.343 -8.720 16.432 1.00 1.92 H new ATOM 0 HG11 VAL B 35 15.442 -8.960 15.071 1.00 2.72 H new ATOM 0 HG12 VAL B 35 14.457 -10.442 15.026 1.00 2.72 H new ATOM 0 HG13 VAL B 35 14.450 -9.326 13.640 1.00 2.72 H new ATOM 0 HG21 VAL B 35 14.411 -6.766 15.371 1.00 2.01 H new ATOM 0 HG22 VAL B 35 13.404 -7.011 13.924 1.00 2.01 H new ATOM 0 HG23 VAL B 35 12.643 -6.591 15.477 1.00 2.01 H new ATOM 2188 N ASN B 36 11.368 -11.625 15.290 1.00 1.81 N ATOM 2189 CA ASN B 36 11.667 -12.225 13.998 1.00 1.20 C ATOM 2190 C ASN B 36 10.342 -12.659 13.382 1.00 1.11 C ATOM 2191 O ASN B 36 9.781 -13.708 13.683 1.00 1.40 O ATOM 2192 CB ASN B 36 12.563 -13.433 14.208 1.00 1.65 C ATOM 2193 CG ASN B 36 12.671 -14.324 12.969 1.00 1.78 C ATOM 2194 OD1 ASN B 36 13.529 -14.114 12.117 1.00 2.31 O ATOM 2195 ND2 ASN B 36 11.781 -15.306 12.880 1.00 1.87 N ATOM 0 H ASN B 36 10.933 -12.321 15.896 1.00 1.81 H new ATOM 0 HA ASN B 36 12.178 -11.520 13.342 1.00 1.20 H new ATOM 0 HB2 ASN B 36 13.559 -13.094 14.492 1.00 1.65 H new ATOM 0 HB3 ASN B 36 12.178 -14.023 15.040 1.00 1.65 H new ATOM 0 HD21 ASN B 36 11.790 -15.931 12.074 1.00 1.87 H new ATOM 0 HD22 ASN B 36 11.089 -15.436 13.618 1.00 1.87 H new ATOM 2202 N GLU B 37 9.861 -11.799 12.503 1.00 1.09 N ATOM 2203 CA GLU B 37 8.582 -11.918 11.834 1.00 1.08 C ATOM 2204 C GLU B 37 8.692 -11.145 10.535 1.00 0.99 C ATOM 2205 O GLU B 37 8.439 -11.649 9.443 1.00 1.00 O ATOM 2206 CB GLU B 37 7.506 -11.293 12.732 1.00 1.18 C ATOM 2207 CG GLU B 37 6.531 -12.362 13.196 1.00 1.13 C ATOM 2208 CD GLU B 37 5.404 -11.755 14.006 1.00 1.16 C ATOM 2209 OE1 GLU B 37 4.863 -10.695 13.626 1.00 1.85 O ATOM 2210 OE2 GLU B 37 4.974 -12.269 15.062 1.00 2.43 O ATOM 0 H GLU B 37 10.375 -10.963 12.225 1.00 1.09 H new ATOM 0 HA GLU B 37 8.317 -12.957 11.636 1.00 1.08 H new ATOM 0 HB2 GLU B 37 7.972 -10.816 13.594 1.00 1.18 H new ATOM 0 HB3 GLU B 37 6.972 -10.515 12.186 1.00 1.18 H new ATOM 0 HG2 GLU B 37 6.122 -12.885 12.332 1.00 1.13 H new ATOM 0 HG3 GLU B 37 7.058 -13.103 13.797 1.00 1.13 H new ATOM 2217 N PHE B 38 9.122 -9.894 10.681 1.00 0.97 N ATOM 2218 CA PHE B 38 9.366 -9.035 9.543 1.00 0.89 C ATOM 2219 C PHE B 38 10.421 -9.695 8.662 1.00 0.85 C ATOM 2220 O PHE B 38 10.228 -9.835 7.453 1.00 0.84 O ATOM 2221 CB PHE B 38 9.786 -7.639 10.014 1.00 0.90 C ATOM 2222 CG PHE B 38 9.428 -6.549 9.027 1.00 0.78 C ATOM 2223 CD1 PHE B 38 9.988 -6.538 7.737 1.00 1.98 C ATOM 2224 CD2 PHE B 38 8.442 -5.608 9.364 1.00 1.64 C ATOM 2225 CE1 PHE B 38 9.597 -5.562 6.807 1.00 1.97 C ATOM 2226 CE2 PHE B 38 8.044 -4.637 8.435 1.00 1.88 C ATOM 2227 CZ PHE B 38 8.617 -4.616 7.153 1.00 1.18 C ATOM 0 H PHE B 38 9.307 -9.458 11.584 1.00 0.97 H new ATOM 0 HA PHE B 38 8.458 -8.903 8.955 1.00 0.89 H new ATOM 0 HB2 PHE B 38 9.309 -7.426 10.971 1.00 0.90 H new ATOM 0 HB3 PHE B 38 10.863 -7.628 10.185 1.00 0.90 H new ATOM 0 HD1 PHE B 38 10.721 -7.282 7.461 1.00 1.98 H new ATOM 0 HD2 PHE B 38 7.988 -5.633 10.344 1.00 1.64 H new ATOM 0 HE1 PHE B 38 10.049 -5.538 5.826 1.00 1.97 H new ATOM 0 HE2 PHE B 38 7.297 -3.905 8.705 1.00 1.88 H new ATOM 0 HZ PHE B 38 8.305 -3.873 6.434 1.00 1.18 H new ATOM 2237 N LYS B 39 11.533 -10.128 9.276 1.00 0.86 N ATOM 2238 CA LYS B 39 12.631 -10.682 8.499 1.00 0.87 C ATOM 2239 C LYS B 39 12.159 -11.886 7.681 1.00 0.85 C ATOM 2240 O LYS B 39 12.559 -12.050 6.529 1.00 0.83 O ATOM 2241 CB LYS B 39 13.887 -10.952 9.339 1.00 0.94 C ATOM 2242 CG LYS B 39 15.127 -10.991 8.419 1.00 0.93 C ATOM 2243 CD LYS B 39 16.425 -10.674 9.185 1.00 1.12 C ATOM 2244 CE LYS B 39 17.533 -10.236 8.206 1.00 1.85 C ATOM 2245 NZ LYS B 39 18.674 -9.573 8.875 1.00 2.77 N ATOM 0 H LYS B 39 11.686 -10.103 10.284 1.00 0.86 H new ATOM 0 HA LYS B 39 12.951 -9.923 7.785 1.00 0.87 H new ATOM 0 HB2 LYS B 39 14.006 -10.175 10.094 1.00 0.94 H new ATOM 0 HB3 LYS B 39 13.785 -11.899 9.870 1.00 0.94 H new ATOM 0 HG2 LYS B 39 15.208 -11.977 7.961 1.00 0.93 H new ATOM 0 HG3 LYS B 39 15.000 -10.273 7.609 1.00 0.93 H new ATOM 0 HD2 LYS B 39 16.241 -9.884 9.913 1.00 1.12 H new ATOM 0 HD3 LYS B 39 16.750 -11.553 9.742 1.00 1.12 H new ATOM 0 HE2 LYS B 39 17.896 -11.109 7.664 1.00 1.85 H new ATOM 0 HE3 LYS B 39 17.108 -9.556 7.468 1.00 1.85 H new ATOM 0 HZ1 LYS B 39 19.019 -8.792 8.281 1.00 2.77 H new ATOM 0 HZ2 LYS B 39 18.367 -9.198 9.795 1.00 2.77 H new ATOM 0 HZ3 LYS B 39 19.440 -10.262 9.020 1.00 2.77 H new ATOM 2259 N GLU B 40 11.259 -12.690 8.251 1.00 0.85 N ATOM 2260 CA GLU B 40 10.674 -13.822 7.564 1.00 0.82 C ATOM 2261 C GLU B 40 9.961 -13.419 6.275 1.00 0.75 C ATOM 2262 O GLU B 40 10.067 -14.135 5.283 1.00 0.75 O ATOM 2263 CB GLU B 40 9.753 -14.602 8.508 1.00 0.91 C ATOM 2264 CG GLU B 40 10.548 -15.086 9.725 1.00 1.10 C ATOM 2265 CD GLU B 40 9.887 -16.279 10.391 1.00 1.70 C ATOM 2266 OE1 GLU B 40 8.682 -16.496 10.131 1.00 2.51 O ATOM 2267 OE2 GLU B 40 10.623 -16.958 11.139 1.00 2.70 O ATOM 0 H GLU B 40 10.920 -12.566 9.205 1.00 0.85 H new ATOM 0 HA GLU B 40 11.488 -14.480 7.261 1.00 0.82 H new ATOM 0 HB2 GLU B 40 8.927 -13.969 8.830 1.00 0.91 H new ATOM 0 HB3 GLU B 40 9.317 -15.453 7.985 1.00 0.91 H new ATOM 0 HG2 GLU B 40 11.558 -15.356 9.416 1.00 1.10 H new ATOM 0 HG3 GLU B 40 10.641 -14.273 10.445 1.00 1.10 H new ATOM 2274 N LEU B 41 9.256 -12.283 6.247 1.00 0.73 N ATOM 2275 CA LEU B 41 8.533 -11.888 5.044 1.00 0.71 C ATOM 2276 C LEU B 41 9.543 -11.571 3.943 1.00 0.65 C ATOM 2277 O LEU B 41 9.416 -12.028 2.805 1.00 0.65 O ATOM 2278 CB LEU B 41 7.636 -10.672 5.324 1.00 0.75 C ATOM 2279 CG LEU B 41 6.723 -10.348 4.124 1.00 0.81 C ATOM 2280 CD1 LEU B 41 5.423 -11.159 4.190 1.00 1.96 C ATOM 2281 CD2 LEU B 41 6.400 -8.854 4.087 1.00 1.50 C ATOM 0 H LEU B 41 9.174 -11.635 7.030 1.00 0.73 H new ATOM 0 HA LEU B 41 7.889 -12.706 4.722 1.00 0.71 H new ATOM 0 HB2 LEU B 41 7.024 -10.866 6.205 1.00 0.75 H new ATOM 0 HB3 LEU B 41 8.258 -9.806 5.553 1.00 0.75 H new ATOM 0 HG LEU B 41 7.257 -10.620 3.213 1.00 0.81 H new ATOM 0 HD11 LEU B 41 4.796 -10.912 3.333 1.00 1.96 H new ATOM 0 HD12 LEU B 41 5.657 -12.223 4.174 1.00 1.96 H new ATOM 0 HD13 LEU B 41 4.890 -10.918 5.110 1.00 1.96 H new ATOM 0 HD21 LEU B 41 5.755 -8.642 3.234 1.00 1.50 H new ATOM 0 HD22 LEU B 41 5.890 -8.569 5.007 1.00 1.50 H new ATOM 0 HD23 LEU B 41 7.324 -8.284 3.993 1.00 1.50 H new ATOM 2293 N VAL B 42 10.554 -10.776 4.294 1.00 0.61 N ATOM 2294 CA VAL B 42 11.499 -10.266 3.316 1.00 0.57 C ATOM 2295 C VAL B 42 12.369 -11.411 2.801 1.00 0.63 C ATOM 2296 O VAL B 42 12.653 -11.506 1.611 1.00 0.72 O ATOM 2297 CB VAL B 42 12.297 -9.072 3.866 1.00 0.53 C ATOM 2298 CG1 VAL B 42 11.392 -7.844 4.030 1.00 0.57 C ATOM 2299 CG2 VAL B 42 12.999 -9.331 5.190 1.00 0.59 C ATOM 0 H VAL B 42 10.735 -10.474 5.251 1.00 0.61 H new ATOM 0 HA VAL B 42 10.958 -9.865 2.459 1.00 0.57 H new ATOM 0 HB VAL B 42 13.074 -8.896 3.122 1.00 0.53 H new ATOM 0 HG11 VAL B 42 11.976 -7.011 4.420 1.00 0.57 H new ATOM 0 HG12 VAL B 42 10.971 -7.570 3.062 1.00 0.57 H new ATOM 0 HG13 VAL B 42 10.584 -8.077 4.724 1.00 0.57 H new ATOM 0 HG21 VAL B 42 13.535 -8.434 5.499 1.00 0.59 H new ATOM 0 HG22 VAL B 42 12.261 -9.592 5.948 1.00 0.59 H new ATOM 0 HG23 VAL B 42 13.705 -10.153 5.073 1.00 0.59 H new ATOM 2309 N THR B 43 12.747 -12.312 3.703 1.00 0.66 N ATOM 2310 CA THR B 43 13.482 -13.516 3.370 1.00 0.77 C ATOM 2311 C THR B 43 12.638 -14.434 2.477 1.00 0.80 C ATOM 2312 O THR B 43 13.054 -14.796 1.380 1.00 0.90 O ATOM 2313 CB THR B 43 13.873 -14.188 4.693 1.00 0.85 C ATOM 2314 OG1 THR B 43 14.694 -13.310 5.436 1.00 0.86 O ATOM 2315 CG2 THR B 43 14.635 -15.500 4.492 1.00 1.01 C ATOM 0 H THR B 43 12.546 -12.220 4.699 1.00 0.66 H new ATOM 0 HA THR B 43 14.381 -13.285 2.799 1.00 0.77 H new ATOM 0 HB THR B 43 12.946 -14.415 5.219 1.00 0.85 H new ATOM 0 HG1 THR B 43 14.132 -12.711 5.971 1.00 0.86 H new ATOM 0 HG21 THR B 43 14.884 -15.928 5.463 1.00 1.01 H new ATOM 0 HG22 THR B 43 14.013 -16.201 3.935 1.00 1.01 H new ATOM 0 HG23 THR B 43 15.552 -15.307 3.935 1.00 1.01 H new ATOM 2323 N GLN B 44 11.480 -14.867 2.980 1.00 0.78 N ATOM 2324 CA GLN B 44 10.697 -15.945 2.393 1.00 0.83 C ATOM 2325 C GLN B 44 9.835 -15.456 1.226 1.00 0.76 C ATOM 2326 O GLN B 44 9.876 -16.021 0.137 1.00 0.81 O ATOM 2327 CB GLN B 44 9.840 -16.579 3.500 1.00 0.98 C ATOM 2328 CG GLN B 44 9.254 -17.936 3.087 1.00 1.18 C ATOM 2329 CD GLN B 44 8.206 -18.419 4.085 1.00 1.38 C ATOM 2330 OE1 GLN B 44 7.137 -18.877 3.696 1.00 1.72 O ATOM 2331 NE2 GLN B 44 8.475 -18.291 5.381 1.00 1.99 N ATOM 0 H GLN B 44 11.058 -14.470 3.819 1.00 0.78 H new ATOM 0 HA GLN B 44 11.371 -16.693 1.975 1.00 0.83 H new ATOM 0 HB2 GLN B 44 10.447 -16.707 4.396 1.00 0.98 H new ATOM 0 HB3 GLN B 44 9.028 -15.900 3.759 1.00 0.98 H new ATOM 0 HG2 GLN B 44 8.805 -17.854 2.097 1.00 1.18 H new ATOM 0 HG3 GLN B 44 10.055 -18.672 3.013 1.00 1.18 H new ATOM 0 HE21 GLN B 44 9.371 -17.907 5.680 1.00 1.99 H new ATOM 0 HE22 GLN B 44 7.785 -18.577 6.076 1.00 1.99 H new ATOM 2340 N GLN B 45 8.978 -14.471 1.501 1.00 0.78 N ATOM 2341 CA GLN B 45 7.904 -14.034 0.617 1.00 0.91 C ATOM 2342 C GLN B 45 8.386 -13.062 -0.465 1.00 1.01 C ATOM 2343 O GLN B 45 7.916 -13.115 -1.596 1.00 1.27 O ATOM 2344 CB GLN B 45 6.772 -13.433 1.470 1.00 1.19 C ATOM 2345 CG GLN B 45 5.572 -14.380 1.601 1.00 1.52 C ATOM 2346 CD GLN B 45 4.705 -14.465 0.345 1.00 1.76 C ATOM 2347 OE1 GLN B 45 4.756 -13.600 -0.524 1.00 3.11 O ATOM 2348 NE2 GLN B 45 3.874 -15.499 0.271 1.00 2.13 N ATOM 0 H GLN B 45 9.016 -13.942 2.372 1.00 0.78 H new ATOM 0 HA GLN B 45 7.526 -14.901 0.074 1.00 0.91 H new ATOM 0 HB2 GLN B 45 7.155 -13.197 2.463 1.00 1.19 H new ATOM 0 HB3 GLN B 45 6.444 -12.494 1.024 1.00 1.19 H new ATOM 0 HG2 GLN B 45 5.935 -15.378 1.847 1.00 1.52 H new ATOM 0 HG3 GLN B 45 4.953 -14.051 2.436 1.00 1.52 H new ATOM 0 HE21 GLN B 45 3.862 -16.197 1.014 1.00 2.13 H new ATOM 0 HE22 GLN B 45 3.249 -15.594 -0.529 1.00 2.13 H new ATOM 2357 N LEU B 46 9.272 -12.127 -0.114 1.00 0.90 N ATOM 2358 CA LEU B 46 9.601 -10.996 -0.985 1.00 0.90 C ATOM 2359 C LEU B 46 10.613 -11.279 -2.108 1.00 1.08 C ATOM 2360 O LEU B 46 10.730 -10.463 -3.018 1.00 1.35 O ATOM 2361 CB LEU B 46 10.087 -9.836 -0.107 1.00 1.10 C ATOM 2362 CG LEU B 46 10.217 -8.475 -0.806 1.00 1.07 C ATOM 2363 CD1 LEU B 46 8.925 -8.084 -1.525 1.00 1.51 C ATOM 2364 CD2 LEU B 46 10.540 -7.417 0.251 1.00 1.97 C ATOM 0 H LEU B 46 9.777 -12.131 0.772 1.00 0.90 H new ATOM 0 HA LEU B 46 8.683 -10.752 -1.519 1.00 0.90 H new ATOM 0 HB2 LEU B 46 9.399 -9.728 0.732 1.00 1.10 H new ATOM 0 HB3 LEU B 46 11.058 -10.103 0.309 1.00 1.10 H new ATOM 0 HG LEU B 46 11.009 -8.542 -1.552 1.00 1.07 H new ATOM 0 HD11 LEU B 46 9.056 -7.115 -2.007 1.00 1.51 H new ATOM 0 HD12 LEU B 46 8.686 -8.835 -2.278 1.00 1.51 H new ATOM 0 HD13 LEU B 46 8.111 -8.022 -0.803 1.00 1.51 H new ATOM 0 HD21 LEU B 46 10.636 -6.442 -0.227 1.00 1.97 H new ATOM 0 HD22 LEU B 46 9.738 -7.382 0.988 1.00 1.97 H new ATOM 0 HD23 LEU B 46 11.477 -7.672 0.747 1.00 1.97 H new ATOM 2376 N PRO B 47 11.413 -12.351 -2.018 1.00 1.23 N ATOM 2377 CA PRO B 47 12.868 -12.316 -2.123 1.00 1.16 C ATOM 2378 C PRO B 47 13.475 -11.226 -3.019 1.00 1.10 C ATOM 2379 O PRO B 47 14.269 -10.427 -2.530 1.00 1.44 O ATOM 2380 CB PRO B 47 13.305 -13.726 -2.543 1.00 1.41 C ATOM 2381 CG PRO B 47 12.039 -14.352 -3.121 1.00 1.60 C ATOM 2382 CD PRO B 47 10.941 -13.698 -2.287 1.00 1.75 C ATOM 0 HA PRO B 47 13.262 -12.027 -1.149 1.00 1.16 H new ATOM 0 HB2 PRO B 47 14.106 -13.692 -3.282 1.00 1.41 H new ATOM 0 HB3 PRO B 47 13.680 -14.297 -1.693 1.00 1.41 H new ATOM 0 HG2 PRO B 47 11.927 -14.135 -4.183 1.00 1.60 H new ATOM 0 HG3 PRO B 47 12.038 -15.437 -3.016 1.00 1.60 H new ATOM 0 HD2 PRO B 47 9.994 -13.682 -2.827 1.00 1.75 H new ATOM 0 HD3 PRO B 47 10.771 -14.247 -1.361 1.00 1.75 H new ATOM 2390 N HIS B 48 13.203 -11.241 -4.329 1.00 1.02 N ATOM 2391 CA HIS B 48 14.019 -10.501 -5.287 1.00 1.02 C ATOM 2392 C HIS B 48 13.660 -9.013 -5.348 1.00 1.00 C ATOM 2393 O HIS B 48 14.562 -8.181 -5.279 1.00 1.62 O ATOM 2394 CB HIS B 48 13.955 -11.172 -6.666 1.00 1.06 C ATOM 2395 CG HIS B 48 14.973 -10.674 -7.670 1.00 1.24 C ATOM 2396 ND1 HIS B 48 14.918 -10.896 -9.027 1.00 2.11 N ATOM 2397 CD2 HIS B 48 16.159 -10.032 -7.410 1.00 1.93 C ATOM 2398 CE1 HIS B 48 16.041 -10.393 -9.568 1.00 2.08 C ATOM 2399 NE2 HIS B 48 16.830 -9.858 -8.623 1.00 1.87 N ATOM 0 H HIS B 48 12.427 -11.756 -4.745 1.00 1.02 H new ATOM 0 HA HIS B 48 15.051 -10.535 -4.938 1.00 1.02 H new ATOM 0 HB2 HIS B 48 14.090 -12.246 -6.537 1.00 1.06 H new ATOM 0 HB3 HIS B 48 12.957 -11.024 -7.079 1.00 1.06 H new ATOM 0 HD2 HIS B 48 16.511 -9.717 -6.439 1.00 1.93 H new ATOM 0 HE1 HIS B 48 16.277 -10.416 -10.622 1.00 2.08 H new ATOM 0 HE2 HIS B 48 17.737 -9.414 -8.763 1.00 1.87 H new ATOM 2407 N LEU B 49 12.370 -8.693 -5.521 1.00 0.97 N ATOM 2408 CA LEU B 49 11.805 -7.355 -5.707 1.00 0.96 C ATOM 2409 C LEU B 49 12.683 -6.181 -5.270 1.00 1.29 C ATOM 2410 O LEU B 49 13.042 -5.349 -6.104 1.00 1.72 O ATOM 2411 CB LEU B 49 10.436 -7.305 -5.024 1.00 0.73 C ATOM 2412 CG LEU B 49 9.624 -6.054 -5.379 1.00 0.71 C ATOM 2413 CD1 LEU B 49 9.511 -5.827 -6.888 1.00 0.76 C ATOM 2414 CD2 LEU B 49 8.205 -6.252 -4.856 1.00 0.76 C ATOM 0 H LEU B 49 11.647 -9.413 -5.535 1.00 0.97 H new ATOM 0 HA LEU B 49 11.723 -7.212 -6.785 1.00 0.96 H new ATOM 0 HB2 LEU B 49 9.866 -8.191 -5.304 1.00 0.73 H new ATOM 0 HB3 LEU B 49 10.575 -7.344 -3.944 1.00 0.73 H new ATOM 0 HG LEU B 49 10.134 -5.198 -4.937 1.00 0.71 H new ATOM 0 HD11 LEU B 49 8.925 -4.927 -7.078 1.00 0.76 H new ATOM 0 HD12 LEU B 49 10.507 -5.708 -7.314 1.00 0.76 H new ATOM 0 HD13 LEU B 49 9.019 -6.684 -7.349 1.00 0.76 H new ATOM 0 HD21 LEU B 49 7.603 -5.375 -5.095 1.00 0.76 H new ATOM 0 HD22 LEU B 49 7.765 -7.133 -5.323 1.00 0.76 H new ATOM 0 HD23 LEU B 49 8.232 -6.390 -3.775 1.00 0.76 H new ATOM 2426 N LEU B 50 13.007 -6.090 -3.977 1.00 1.34 N ATOM 2427 CA LEU B 50 14.022 -5.164 -3.492 1.00 1.79 C ATOM 2428 C LEU B 50 15.165 -5.950 -2.859 1.00 1.60 C ATOM 2429 O LEU B 50 14.965 -7.015 -2.281 1.00 1.81 O ATOM 2430 CB LEU B 50 13.432 -4.051 -2.608 1.00 2.53 C ATOM 2431 CG LEU B 50 12.524 -4.490 -1.448 1.00 0.96 C ATOM 2432 CD1 LEU B 50 13.288 -5.128 -0.281 1.00 2.29 C ATOM 2433 CD2 LEU B 50 11.774 -3.262 -0.916 1.00 1.22 C ATOM 0 H LEU B 50 12.574 -6.654 -3.245 1.00 1.34 H new ATOM 0 HA LEU B 50 14.445 -4.616 -4.334 1.00 1.79 H new ATOM 0 HB2 LEU B 50 14.258 -3.475 -2.192 1.00 2.53 H new ATOM 0 HB3 LEU B 50 12.863 -3.376 -3.247 1.00 2.53 H new ATOM 0 HG LEU B 50 11.847 -5.246 -1.846 1.00 0.96 H new ATOM 0 HD11 LEU B 50 12.585 -5.413 0.501 1.00 2.29 H new ATOM 0 HD12 LEU B 50 13.818 -6.013 -0.633 1.00 2.29 H new ATOM 0 HD13 LEU B 50 14.005 -4.411 0.119 1.00 2.29 H new ATOM 0 HD21 LEU B 50 11.126 -3.560 -0.092 1.00 1.22 H new ATOM 0 HD22 LEU B 50 12.492 -2.522 -0.563 1.00 1.22 H new ATOM 0 HD23 LEU B 50 11.170 -2.830 -1.714 1.00 1.22 H new ATOM 2445 N LYS B 51 16.381 -5.430 -3.024 1.00 1.79 N ATOM 2446 CA LYS B 51 17.602 -6.103 -2.610 1.00 1.75 C ATOM 2447 C LYS B 51 17.906 -5.831 -1.144 1.00 1.48 C ATOM 2448 O LYS B 51 17.412 -4.864 -0.566 1.00 2.07 O ATOM 2449 CB LYS B 51 18.785 -5.724 -3.522 1.00 2.13 C ATOM 2450 CG LYS B 51 19.132 -4.224 -3.624 1.00 2.46 C ATOM 2451 CD LYS B 51 19.868 -3.548 -2.448 1.00 3.46 C ATOM 2452 CE LYS B 51 21.280 -4.101 -2.189 1.00 4.39 C ATOM 2453 NZ LYS B 51 21.944 -3.452 -1.029 1.00 5.80 N ATOM 0 H LYS B 51 16.543 -4.519 -3.454 1.00 1.79 H new ATOM 0 HA LYS B 51 17.447 -7.177 -2.715 1.00 1.75 H new ATOM 0 HB2 LYS B 51 19.670 -6.254 -3.169 1.00 2.13 H new ATOM 0 HB3 LYS B 51 18.572 -6.092 -4.525 1.00 2.13 H new ATOM 0 HG2 LYS B 51 19.742 -4.087 -4.517 1.00 2.46 H new ATOM 0 HG3 LYS B 51 18.201 -3.681 -3.787 1.00 2.46 H new ATOM 0 HD2 LYS B 51 19.939 -2.478 -2.645 1.00 3.46 H new ATOM 0 HD3 LYS B 51 19.271 -3.667 -1.544 1.00 3.46 H new ATOM 0 HE2 LYS B 51 21.219 -5.175 -2.014 1.00 4.39 H new ATOM 0 HE3 LYS B 51 21.891 -3.958 -3.080 1.00 4.39 H new ATOM 0 HZ1 LYS B 51 22.572 -4.136 -0.561 1.00 5.80 H new ATOM 0 HZ2 LYS B 51 22.503 -2.639 -1.359 1.00 5.80 H new ATOM 0 HZ3 LYS B 51 21.223 -3.126 -0.354 1.00 5.80 H new ATOM 2467 N ASP B 52 18.784 -6.662 -0.581 1.00 1.28 N ATOM 2468 CA ASP B 52 19.334 -6.504 0.751 1.00 1.26 C ATOM 2469 C ASP B 52 18.218 -6.455 1.777 1.00 1.27 C ATOM 2470 O ASP B 52 17.985 -5.495 2.511 1.00 1.62 O ATOM 2471 CB ASP B 52 20.317 -5.350 0.832 1.00 1.70 C ATOM 2472 CG ASP B 52 20.970 -5.232 2.193 1.00 2.54 C ATOM 2473 OD1 ASP B 52 20.745 -6.120 3.051 1.00 3.36 O ATOM 2474 OD2 ASP B 52 21.728 -4.246 2.304 1.00 3.73 O ATOM 0 H ASP B 52 19.139 -7.489 -1.062 1.00 1.28 H new ATOM 0 HA ASP B 52 19.934 -7.381 0.994 1.00 1.26 H new ATOM 0 HB2 ASP B 52 21.089 -5.482 0.074 1.00 1.70 H new ATOM 0 HB3 ASP B 52 19.798 -4.420 0.601 1.00 1.70 H new ATOM 2479 N VAL B 53 17.601 -7.621 1.845 1.00 1.15 N ATOM 2480 CA VAL B 53 16.842 -8.087 2.978 1.00 1.18 C ATOM 2481 C VAL B 53 17.768 -8.452 4.157 1.00 1.35 C ATOM 2482 O VAL B 53 17.298 -9.026 5.138 1.00 1.54 O ATOM 2483 CB VAL B 53 15.984 -9.271 2.496 1.00 1.34 C ATOM 2484 CG1 VAL B 53 15.113 -8.858 1.298 1.00 1.91 C ATOM 2485 CG2 VAL B 53 16.808 -10.510 2.119 1.00 1.61 C ATOM 0 H VAL B 53 17.620 -8.292 1.077 1.00 1.15 H new ATOM 0 HA VAL B 53 16.188 -7.304 3.363 1.00 1.18 H new ATOM 0 HB VAL B 53 15.356 -9.545 3.343 1.00 1.34 H new ATOM 0 HG11 VAL B 53 14.515 -9.709 0.973 1.00 1.91 H new ATOM 0 HG12 VAL B 53 14.453 -8.042 1.592 1.00 1.91 H new ATOM 0 HG13 VAL B 53 15.753 -8.530 0.479 1.00 1.91 H new ATOM 0 HG21 VAL B 53 16.139 -11.305 1.789 1.00 1.61 H new ATOM 0 HG22 VAL B 53 17.497 -10.257 1.313 1.00 1.61 H new ATOM 0 HG23 VAL B 53 17.373 -10.849 2.987 1.00 1.61 H new ATOM 2495 N GLY B 54 19.075 -8.151 4.092 1.00 1.69 N ATOM 2496 CA GLY B 54 20.019 -8.438 5.157 1.00 2.21 C ATOM 2497 C GLY B 54 19.947 -7.314 6.181 1.00 1.97 C ATOM 2498 O GLY B 54 19.678 -7.578 7.360 1.00 2.33 O ATOM 0 H GLY B 54 19.500 -7.696 3.284 1.00 1.69 H new ATOM 0 HA2 GLY B 54 19.783 -9.393 5.626 1.00 2.21 H new ATOM 0 HA3 GLY B 54 21.029 -8.521 4.756 1.00 2.21 H new ATOM 2502 N SER B 55 20.145 -6.081 5.700 1.00 1.53 N ATOM 2503 CA SER B 55 20.050 -4.812 6.420 1.00 1.40 C ATOM 2504 C SER B 55 18.587 -4.530 6.787 1.00 1.09 C ATOM 2505 O SER B 55 17.986 -3.550 6.356 1.00 1.12 O ATOM 2506 CB SER B 55 20.643 -3.708 5.524 1.00 1.59 C ATOM 2507 OG SER B 55 20.786 -2.488 6.224 1.00 2.55 O ATOM 0 H SER B 55 20.395 -5.937 4.722 1.00 1.53 H new ATOM 0 HA SER B 55 20.613 -4.848 7.353 1.00 1.40 H new ATOM 0 HB2 SER B 55 21.615 -4.028 5.147 1.00 1.59 H new ATOM 0 HB3 SER B 55 19.999 -3.557 4.658 1.00 1.59 H new ATOM 0 HG SER B 55 20.186 -1.817 5.837 1.00 2.55 H new ATOM 2513 N LEU B 56 17.976 -5.435 7.549 1.00 1.09 N ATOM 2514 CA LEU B 56 16.570 -5.414 7.864 1.00 0.94 C ATOM 2515 C LEU B 56 16.313 -4.536 9.084 1.00 0.97 C ATOM 2516 O LEU B 56 15.258 -3.931 9.173 1.00 1.10 O ATOM 2517 CB LEU B 56 16.139 -6.874 8.037 1.00 0.93 C ATOM 2518 CG LEU B 56 14.641 -7.130 8.230 1.00 0.91 C ATOM 2519 CD1 LEU B 56 14.230 -7.034 9.702 1.00 1.12 C ATOM 2520 CD2 LEU B 56 13.796 -6.249 7.313 1.00 0.84 C ATOM 0 H LEU B 56 18.470 -6.221 7.971 1.00 1.09 H new ATOM 0 HA LEU B 56 15.970 -4.967 7.072 1.00 0.94 H new ATOM 0 HB2 LEU B 56 16.470 -7.433 7.161 1.00 0.93 H new ATOM 0 HB3 LEU B 56 16.668 -7.286 8.896 1.00 0.93 H new ATOM 0 HG LEU B 56 14.442 -8.159 7.931 1.00 0.91 H new ATOM 0 HD11 LEU B 56 13.160 -7.222 9.794 1.00 1.12 H new ATOM 0 HD12 LEU B 56 14.780 -7.775 10.282 1.00 1.12 H new ATOM 0 HD13 LEU B 56 14.457 -6.037 10.079 1.00 1.12 H new ATOM 0 HD21 LEU B 56 12.739 -6.459 7.479 1.00 0.84 H new ATOM 0 HD22 LEU B 56 13.996 -5.200 7.531 1.00 0.84 H new ATOM 0 HD23 LEU B 56 14.049 -6.458 6.274 1.00 0.84 H new ATOM 2532 N ASP B 57 17.267 -4.420 10.006 1.00 1.05 N ATOM 2533 CA ASP B 57 17.192 -3.510 11.141 1.00 1.13 C ATOM 2534 C ASP B 57 17.010 -2.066 10.654 1.00 1.04 C ATOM 2535 O ASP B 57 16.144 -1.335 11.136 1.00 0.97 O ATOM 2536 CB ASP B 57 18.465 -3.666 11.986 1.00 1.44 C ATOM 2537 CG ASP B 57 19.738 -3.308 11.227 1.00 2.42 C ATOM 2538 OD1 ASP B 57 19.754 -3.582 10.004 1.00 3.07 O ATOM 2539 OD2 ASP B 57 20.649 -2.759 11.877 1.00 3.71 O ATOM 0 H ASP B 57 18.128 -4.967 9.982 1.00 1.05 H new ATOM 0 HA ASP B 57 16.329 -3.753 11.760 1.00 1.13 H new ATOM 0 HB2 ASP B 57 18.386 -3.033 12.870 1.00 1.44 H new ATOM 0 HB3 ASP B 57 18.536 -4.695 12.337 1.00 1.44 H new ATOM 2544 N GLU B 58 17.809 -1.673 9.663 1.00 1.11 N ATOM 2545 CA GLU B 58 17.674 -0.410 8.958 1.00 1.06 C ATOM 2546 C GLU B 58 16.228 -0.239 8.467 1.00 0.90 C ATOM 2547 O GLU B 58 15.547 0.726 8.818 1.00 0.92 O ATOM 2548 CB GLU B 58 18.667 -0.429 7.791 1.00 1.22 C ATOM 2549 CG GLU B 58 18.590 0.811 6.885 1.00 1.57 C ATOM 2550 CD GLU B 58 18.837 0.482 5.422 1.00 1.54 C ATOM 2551 OE1 GLU B 58 19.162 -0.685 5.107 1.00 2.48 O ATOM 2552 OE2 GLU B 58 18.481 1.310 4.555 1.00 1.88 O ATOM 0 H GLU B 58 18.585 -2.241 9.324 1.00 1.11 H new ATOM 0 HA GLU B 58 17.893 0.435 9.611 1.00 1.06 H new ATOM 0 HB2 GLU B 58 19.678 -0.513 8.189 1.00 1.22 H new ATOM 0 HB3 GLU B 58 18.486 -1.319 7.188 1.00 1.22 H new ATOM 0 HG2 GLU B 58 17.608 1.272 6.989 1.00 1.57 H new ATOM 0 HG3 GLU B 58 19.324 1.545 7.217 1.00 1.57 H new ATOM 2559 N LYS B 59 15.766 -1.167 7.621 1.00 0.81 N ATOM 2560 CA LYS B 59 14.438 -1.098 7.018 1.00 0.74 C ATOM 2561 C LYS B 59 13.369 -1.000 8.115 1.00 0.63 C ATOM 2562 O LYS B 59 12.507 -0.127 8.082 1.00 0.67 O ATOM 2563 CB LYS B 59 14.197 -2.324 6.122 1.00 0.89 C ATOM 2564 CG LYS B 59 15.178 -2.499 4.948 1.00 1.73 C ATOM 2565 CD LYS B 59 14.926 -1.557 3.759 1.00 1.32 C ATOM 2566 CE LYS B 59 15.857 -0.335 3.740 1.00 2.10 C ATOM 2567 NZ LYS B 59 17.255 -0.660 3.382 1.00 3.24 N ATOM 0 H LYS B 59 16.305 -1.985 7.338 1.00 0.81 H new ATOM 0 HA LYS B 59 14.374 -0.206 6.395 1.00 0.74 H new ATOM 0 HB2 LYS B 59 14.240 -3.219 6.743 1.00 0.89 H new ATOM 0 HB3 LYS B 59 13.186 -2.263 5.720 1.00 0.89 H new ATOM 0 HG2 LYS B 59 16.193 -2.340 5.312 1.00 1.73 H new ATOM 0 HG3 LYS B 59 15.124 -3.529 4.597 1.00 1.73 H new ATOM 0 HD2 LYS B 59 15.051 -2.114 2.831 1.00 1.32 H new ATOM 0 HD3 LYS B 59 13.891 -1.216 3.789 1.00 1.32 H new ATOM 0 HE2 LYS B 59 15.469 0.395 3.030 1.00 2.10 H new ATOM 0 HE3 LYS B 59 15.843 0.137 4.722 1.00 2.10 H new ATOM 0 HZ1 LYS B 59 17.782 0.219 3.206 1.00 3.24 H new ATOM 0 HZ2 LYS B 59 17.701 -1.181 4.164 1.00 3.24 H new ATOM 0 HZ3 LYS B 59 17.266 -1.247 2.524 1.00 3.24 H new ATOM 2581 N MET B 60 13.463 -1.884 9.105 1.00 0.63 N ATOM 2582 CA MET B 60 12.596 -1.973 10.270 1.00 0.70 C ATOM 2583 C MET B 60 12.466 -0.585 10.887 1.00 0.73 C ATOM 2584 O MET B 60 11.359 -0.069 11.000 1.00 0.78 O ATOM 2585 CB MET B 60 13.188 -3.007 11.245 1.00 0.84 C ATOM 2586 CG MET B 60 12.515 -3.133 12.617 1.00 0.92 C ATOM 2587 SD MET B 60 11.402 -4.544 12.826 1.00 3.04 S ATOM 2588 CE MET B 60 11.117 -4.396 14.605 1.00 2.81 C ATOM 0 H MET B 60 14.191 -2.599 9.113 1.00 0.63 H new ATOM 0 HA MET B 60 11.594 -2.309 10.004 1.00 0.70 H new ATOM 0 HB2 MET B 60 13.159 -3.984 10.762 1.00 0.84 H new ATOM 0 HB3 MET B 60 14.238 -2.761 11.404 1.00 0.84 H new ATOM 0 HG2 MET B 60 13.293 -3.194 13.378 1.00 0.92 H new ATOM 0 HG3 MET B 60 11.952 -2.220 12.809 1.00 0.92 H new ATOM 0 HE1 MET B 60 10.445 -5.189 14.933 1.00 2.81 H new ATOM 0 HE2 MET B 60 12.066 -4.483 15.134 1.00 2.81 H new ATOM 0 HE3 MET B 60 10.668 -3.427 14.822 1.00 2.81 H new ATOM 2598 N LYS B 61 13.589 0.037 11.251 1.00 0.80 N ATOM 2599 CA LYS B 61 13.577 1.376 11.822 1.00 0.92 C ATOM 2600 C LYS B 61 12.980 2.399 10.850 1.00 0.87 C ATOM 2601 O LYS B 61 12.236 3.282 11.275 1.00 0.95 O ATOM 2602 CB LYS B 61 14.988 1.764 12.276 1.00 1.12 C ATOM 2603 CG LYS B 61 15.392 0.907 13.481 1.00 2.00 C ATOM 2604 CD LYS B 61 16.801 1.267 13.970 1.00 1.90 C ATOM 2605 CE LYS B 61 17.115 0.558 15.295 1.00 2.44 C ATOM 2606 NZ LYS B 61 16.417 1.177 16.444 1.00 3.57 N ATOM 0 H LYS B 61 14.519 -0.371 11.158 1.00 0.80 H new ATOM 0 HA LYS B 61 12.929 1.375 12.699 1.00 0.92 H new ATOM 0 HB2 LYS B 61 15.696 1.620 11.460 1.00 1.12 H new ATOM 0 HB3 LYS B 61 15.018 2.821 12.542 1.00 1.12 H new ATOM 0 HG2 LYS B 61 14.676 1.051 14.290 1.00 2.00 H new ATOM 0 HG3 LYS B 61 15.357 -0.148 13.209 1.00 2.00 H new ATOM 0 HD2 LYS B 61 17.536 0.983 13.217 1.00 1.90 H new ATOM 0 HD3 LYS B 61 16.881 2.346 14.102 1.00 1.90 H new ATOM 0 HE2 LYS B 61 16.827 -0.491 15.220 1.00 2.44 H new ATOM 0 HE3 LYS B 61 18.190 0.582 15.471 1.00 2.44 H new ATOM 0 HZ1 LYS B 61 16.149 0.439 17.126 1.00 3.57 H new ATOM 0 HZ2 LYS B 61 17.049 1.862 16.906 1.00 3.57 H new ATOM 0 HZ3 LYS B 61 15.562 1.665 16.109 1.00 3.57 H new ATOM 2620 N SER B 62 13.292 2.285 9.554 1.00 0.82 N ATOM 2621 CA SER B 62 12.734 3.158 8.526 1.00 0.90 C ATOM 2622 C SER B 62 11.200 3.083 8.502 1.00 0.85 C ATOM 2623 O SER B 62 10.539 4.102 8.310 1.00 0.98 O ATOM 2624 CB SER B 62 13.352 2.840 7.155 1.00 0.99 C ATOM 2625 OG SER B 62 13.071 3.864 6.220 1.00 1.64 O ATOM 0 H SER B 62 13.939 1.584 9.193 1.00 0.82 H new ATOM 0 HA SER B 62 12.993 4.188 8.771 1.00 0.90 H new ATOM 0 HB2 SER B 62 14.431 2.723 7.257 1.00 0.99 H new ATOM 0 HB3 SER B 62 12.962 1.891 6.788 1.00 0.99 H new ATOM 0 HG SER B 62 13.476 3.639 5.357 1.00 1.64 H new ATOM 2631 N LEU B 63 10.615 1.893 8.687 1.00 0.73 N ATOM 2632 CA LEU B 63 9.168 1.759 8.803 1.00 0.68 C ATOM 2633 C LEU B 63 8.656 2.243 10.160 1.00 0.67 C ATOM 2634 O LEU B 63 7.722 3.039 10.220 1.00 0.71 O ATOM 2635 CB LEU B 63 8.731 0.310 8.594 1.00 0.74 C ATOM 2636 CG LEU B 63 8.631 -0.090 7.117 1.00 1.08 C ATOM 2637 CD1 LEU B 63 9.925 -0.722 6.609 1.00 1.28 C ATOM 2638 CD2 LEU B 63 7.512 -1.114 6.993 1.00 1.60 C ATOM 0 H LEU B 63 11.126 1.013 8.759 1.00 0.73 H new ATOM 0 HA LEU B 63 8.736 2.386 8.023 1.00 0.68 H new ATOM 0 HB2 LEU B 63 9.439 -0.351 9.094 1.00 0.74 H new ATOM 0 HB3 LEU B 63 7.762 0.158 9.070 1.00 0.74 H new ATOM 0 HG LEU B 63 8.439 0.804 6.523 1.00 1.08 H new ATOM 0 HD11 LEU B 63 9.811 -0.990 5.559 1.00 1.28 H new ATOM 0 HD12 LEU B 63 10.744 -0.010 6.715 1.00 1.28 H new ATOM 0 HD13 LEU B 63 10.145 -1.617 7.190 1.00 1.28 H new ATOM 0 HD21 LEU B 63 7.413 -1.421 5.952 1.00 1.60 H new ATOM 0 HD22 LEU B 63 7.745 -1.984 7.607 1.00 1.60 H new ATOM 0 HD23 LEU B 63 6.575 -0.672 7.331 1.00 1.60 H new ATOM 2650 N ASP B 64 9.232 1.725 11.246 1.00 0.68 N ATOM 2651 CA ASP B 64 8.714 1.774 12.611 1.00 0.74 C ATOM 2652 C ASP B 64 8.371 3.157 13.174 1.00 0.83 C ATOM 2653 O ASP B 64 7.861 3.217 14.285 1.00 0.92 O ATOM 2654 CB ASP B 64 9.572 0.956 13.594 1.00 0.78 C ATOM 2655 CG ASP B 64 8.796 0.668 14.875 1.00 0.94 C ATOM 2656 OD1 ASP B 64 7.601 0.318 14.753 1.00 1.10 O ATOM 2657 OD2 ASP B 64 9.342 0.847 15.983 1.00 1.46 O ATOM 0 H ASP B 64 10.123 1.232 11.192 1.00 0.68 H new ATOM 0 HA ASP B 64 7.740 1.295 12.510 1.00 0.74 H new ATOM 0 HB2 ASP B 64 9.875 0.018 13.127 1.00 0.78 H new ATOM 0 HB3 ASP B 64 10.484 1.503 13.831 1.00 0.78 H new ATOM 2662 N VAL B 65 8.755 4.249 12.506 1.00 0.84 N ATOM 2663 CA VAL B 65 9.327 5.508 12.987 1.00 0.94 C ATOM 2664 C VAL B 65 8.871 6.060 14.351 1.00 1.05 C ATOM 2665 O VAL B 65 9.634 6.807 14.959 1.00 1.17 O ATOM 2666 CB VAL B 65 9.100 6.590 11.910 1.00 0.97 C ATOM 2667 CG1 VAL B 65 9.733 6.212 10.566 1.00 1.19 C ATOM 2668 CG2 VAL B 65 7.607 6.882 11.686 1.00 1.49 C ATOM 0 H VAL B 65 8.660 4.272 11.491 1.00 0.84 H new ATOM 0 HA VAL B 65 10.373 5.258 13.164 1.00 0.94 H new ATOM 0 HB VAL B 65 9.586 7.487 12.294 1.00 0.97 H new ATOM 0 HG11 VAL B 65 9.547 7.004 9.841 1.00 1.19 H new ATOM 0 HG12 VAL B 65 10.808 6.082 10.694 1.00 1.19 H new ATOM 0 HG13 VAL B 65 9.295 5.281 10.207 1.00 1.19 H new ATOM 0 HG21 VAL B 65 7.497 7.649 10.920 1.00 1.49 H new ATOM 0 HG22 VAL B 65 7.103 5.971 11.362 1.00 1.49 H new ATOM 0 HG23 VAL B 65 7.161 7.232 12.617 1.00 1.49 H new ATOM 2678 N ASN B 66 7.695 5.699 14.874 1.00 1.08 N ATOM 2679 CA ASN B 66 7.392 5.912 16.287 1.00 1.23 C ATOM 2680 C ASN B 66 8.421 5.224 17.196 1.00 1.29 C ATOM 2681 O ASN B 66 8.619 5.658 18.326 1.00 1.55 O ATOM 2682 CB ASN B 66 5.949 5.511 16.629 1.00 1.34 C ATOM 2683 CG ASN B 66 5.770 4.061 17.086 1.00 1.58 C ATOM 2684 OD1 ASN B 66 6.375 3.123 16.570 1.00 1.54 O ATOM 2685 ND2 ASN B 66 4.903 3.834 18.066 1.00 2.72 N ATOM 0 H ASN B 66 6.943 5.261 14.341 1.00 1.08 H new ATOM 0 HA ASN B 66 7.469 6.982 16.478 1.00 1.23 H new ATOM 0 HB2 ASN B 66 5.581 6.171 17.414 1.00 1.34 H new ATOM 0 HB3 ASN B 66 5.324 5.679 15.752 1.00 1.34 H new ATOM 0 HD21 ASN B 66 4.739 2.881 18.391 1.00 2.72 H new ATOM 0 HD22 ASN B 66 4.401 4.612 18.494 1.00 2.72 H new ATOM 2692 N GLN B 67 9.089 4.177 16.694 1.00 1.14 N ATOM 2693 CA GLN B 67 10.253 3.558 17.304 1.00 1.26 C ATOM 2694 C GLN B 67 9.866 2.813 18.588 1.00 1.23 C ATOM 2695 O GLN B 67 10.419 3.063 19.657 1.00 1.38 O ATOM 2696 CB GLN B 67 11.365 4.606 17.487 1.00 1.69 C ATOM 2697 CG GLN B 67 12.759 3.965 17.539 1.00 2.04 C ATOM 2698 CD GLN B 67 13.222 3.299 16.241 1.00 2.22 C ATOM 2699 OE1 GLN B 67 14.072 2.408 16.276 1.00 2.66 O ATOM 2700 NE2 GLN B 67 12.709 3.718 15.086 1.00 3.37 N ATOM 0 H GLN B 67 8.816 3.728 15.820 1.00 1.14 H new ATOM 0 HA GLN B 67 10.661 2.792 16.644 1.00 1.26 H new ATOM 0 HB2 GLN B 67 11.326 5.322 16.666 1.00 1.69 H new ATOM 0 HB3 GLN B 67 11.189 5.164 18.406 1.00 1.69 H new ATOM 0 HG2 GLN B 67 13.483 4.732 17.813 1.00 2.04 H new ATOM 0 HG3 GLN B 67 12.768 3.219 18.334 1.00 2.04 H new ATOM 0 HE21 GLN B 67 12.006 4.457 15.078 1.00 3.37 H new ATOM 0 HE22 GLN B 67 13.019 3.300 14.209 1.00 3.37 H new ATOM 2709 N ASP B 68 8.925 1.876 18.455 1.00 1.24 N ATOM 2710 CA ASP B 68 8.429 1.008 19.526 1.00 1.22 C ATOM 2711 C ASP B 68 8.862 -0.458 19.325 1.00 1.20 C ATOM 2712 O ASP B 68 8.720 -1.257 20.246 1.00 1.79 O ATOM 2713 CB ASP B 68 6.897 1.153 19.676 1.00 1.25 C ATOM 2714 CG ASP B 68 6.149 0.706 18.437 1.00 1.19 C ATOM 2715 OD1 ASP B 68 6.753 0.012 17.605 1.00 1.35 O ATOM 2716 OD2 ASP B 68 5.049 1.195 18.095 1.00 1.44 O ATOM 0 H ASP B 68 8.469 1.693 17.561 1.00 1.24 H new ATOM 0 HA ASP B 68 8.884 1.332 20.462 1.00 1.22 H new ATOM 0 HB2 ASP B 68 6.562 0.566 20.531 1.00 1.25 H new ATOM 0 HB3 ASP B 68 6.653 2.194 19.889 1.00 1.25 H new ATOM 2721 N SER B 69 9.385 -0.827 18.145 1.00 1.12 N ATOM 2722 CA SER B 69 9.751 -2.186 17.744 1.00 1.06 C ATOM 2723 C SER B 69 8.550 -3.100 17.449 1.00 0.99 C ATOM 2724 O SER B 69 8.757 -4.257 17.082 1.00 1.17 O ATOM 2725 CB SER B 69 10.736 -2.831 18.727 1.00 1.23 C ATOM 2726 OG SER B 69 11.821 -1.953 18.961 1.00 2.08 O ATOM 0 H SER B 69 9.572 -0.146 17.409 1.00 1.12 H new ATOM 0 HA SER B 69 10.264 -2.072 16.789 1.00 1.06 H new ATOM 0 HB2 SER B 69 10.231 -3.059 19.666 1.00 1.23 H new ATOM 0 HB3 SER B 69 11.101 -3.776 18.324 1.00 1.23 H new ATOM 0 HG SER B 69 12.447 -2.367 19.591 1.00 2.08 H new ATOM 2732 N GLU B 70 7.321 -2.591 17.557 1.00 0.96 N ATOM 2733 CA GLU B 70 6.100 -3.239 17.108 1.00 1.00 C ATOM 2734 C GLU B 70 5.650 -2.539 15.826 1.00 0.92 C ATOM 2735 O GLU B 70 5.174 -1.400 15.864 1.00 0.95 O ATOM 2736 CB GLU B 70 5.014 -3.155 18.189 1.00 1.18 C ATOM 2737 CG GLU B 70 5.294 -4.113 19.357 1.00 1.69 C ATOM 2738 CD GLU B 70 3.997 -4.625 19.963 1.00 2.31 C ATOM 2739 OE1 GLU B 70 3.324 -5.436 19.283 1.00 2.86 O ATOM 2740 OE2 GLU B 70 3.634 -4.193 21.082 1.00 2.98 O ATOM 0 H GLU B 70 7.149 -1.678 17.978 1.00 0.96 H new ATOM 0 HA GLU B 70 6.279 -4.297 16.915 1.00 1.00 H new ATOM 0 HB2 GLU B 70 4.953 -2.133 18.564 1.00 1.18 H new ATOM 0 HB3 GLU B 70 4.045 -3.392 17.749 1.00 1.18 H new ATOM 0 HG2 GLU B 70 5.893 -4.954 19.007 1.00 1.69 H new ATOM 0 HG3 GLU B 70 5.879 -3.600 20.121 1.00 1.69 H new ATOM 2747 N LEU B 71 5.815 -3.218 14.691 1.00 0.95 N ATOM 2748 CA LEU B 71 5.456 -2.702 13.378 1.00 0.94 C ATOM 2749 C LEU B 71 3.950 -2.901 13.206 1.00 0.98 C ATOM 2750 O LEU B 71 3.516 -3.986 12.823 1.00 1.03 O ATOM 2751 CB LEU B 71 6.250 -3.456 12.300 1.00 0.97 C ATOM 2752 CG LEU B 71 7.681 -2.973 12.042 1.00 0.87 C ATOM 2753 CD1 LEU B 71 7.722 -1.711 11.176 1.00 0.86 C ATOM 2754 CD2 LEU B 71 8.467 -2.760 13.334 1.00 0.93 C ATOM 0 H LEU B 71 6.209 -4.158 14.662 1.00 0.95 H new ATOM 0 HA LEU B 71 5.697 -1.643 13.283 1.00 0.94 H new ATOM 0 HB2 LEU B 71 6.290 -4.509 12.580 1.00 0.97 H new ATOM 0 HB3 LEU B 71 5.696 -3.396 11.363 1.00 0.97 H new ATOM 0 HG LEU B 71 8.167 -3.775 11.487 1.00 0.87 H new ATOM 0 HD11 LEU B 71 8.758 -1.409 11.022 1.00 0.86 H new ATOM 0 HD12 LEU B 71 7.257 -1.916 10.212 1.00 0.86 H new ATOM 0 HD13 LEU B 71 7.181 -0.908 11.677 1.00 0.86 H new ATOM 0 HD21 LEU B 71 9.474 -2.418 13.095 1.00 0.93 H new ATOM 0 HD22 LEU B 71 7.965 -2.011 13.946 1.00 0.93 H new ATOM 0 HD23 LEU B 71 8.524 -3.699 13.884 1.00 0.93 H new ATOM 2766 N LYS B 72 3.150 -1.880 13.515 1.00 1.04 N ATOM 2767 CA LYS B 72 1.692 -1.984 13.522 1.00 1.15 C ATOM 2768 C LYS B 72 1.140 -1.792 12.106 1.00 1.12 C ATOM 2769 O LYS B 72 1.887 -1.460 11.181 1.00 1.05 O ATOM 2770 CB LYS B 72 1.113 -0.973 14.525 1.00 1.34 C ATOM 2771 CG LYS B 72 1.238 0.487 14.055 1.00 1.68 C ATOM 2772 CD LYS B 72 1.660 1.430 15.190 1.00 2.56 C ATOM 2773 CE LYS B 72 0.604 1.555 16.298 1.00 2.45 C ATOM 2774 NZ LYS B 72 1.092 2.397 17.411 1.00 3.37 N ATOM 0 H LYS B 72 3.497 -0.955 13.768 1.00 1.04 H new ATOM 0 HA LYS B 72 1.388 -2.980 13.845 1.00 1.15 H new ATOM 0 HB2 LYS B 72 0.062 -1.204 14.697 1.00 1.34 H new ATOM 0 HB3 LYS B 72 1.625 -1.085 15.481 1.00 1.34 H new ATOM 0 HG2 LYS B 72 1.967 0.545 13.247 1.00 1.68 H new ATOM 0 HG3 LYS B 72 0.283 0.818 13.647 1.00 1.68 H new ATOM 0 HD2 LYS B 72 2.592 1.070 15.625 1.00 2.56 H new ATOM 0 HD3 LYS B 72 1.862 2.418 14.776 1.00 2.56 H new ATOM 0 HE2 LYS B 72 -0.309 1.985 15.887 1.00 2.45 H new ATOM 0 HE3 LYS B 72 0.348 0.564 16.673 1.00 2.45 H new ATOM 0 HZ1 LYS B 72 0.357 2.463 18.144 1.00 3.37 H new ATOM 0 HZ2 LYS B 72 1.950 1.972 17.818 1.00 3.37 H new ATOM 0 HZ3 LYS B 72 1.313 3.349 17.055 1.00 3.37 H new ATOM 2788 N PHE B 73 -0.175 -1.957 11.921 1.00 1.24 N ATOM 2789 CA PHE B 73 -0.775 -1.895 10.593 1.00 1.31 C ATOM 2790 C PHE B 73 -1.293 -0.488 10.261 1.00 1.31 C ATOM 2791 O PHE B 73 -2.364 -0.339 9.680 1.00 1.59 O ATOM 2792 CB PHE B 73 -1.870 -2.977 10.479 1.00 1.69 C ATOM 2793 CG PHE B 73 -2.952 -2.934 11.550 1.00 1.68 C ATOM 2794 CD1 PHE B 73 -2.757 -3.600 12.775 1.00 3.34 C ATOM 2795 CD2 PHE B 73 -4.120 -2.174 11.351 1.00 2.35 C ATOM 2796 CE1 PHE B 73 -3.656 -3.394 13.837 1.00 4.55 C ATOM 2797 CE2 PHE B 73 -5.025 -1.977 12.408 1.00 3.66 C ATOM 2798 CZ PHE B 73 -4.779 -2.566 13.660 1.00 4.52 C ATOM 0 H PHE B 73 -0.838 -2.134 12.675 1.00 1.24 H new ATOM 0 HA PHE B 73 -0.010 -2.103 9.845 1.00 1.31 H new ATOM 0 HB2 PHE B 73 -2.346 -2.885 9.503 1.00 1.69 H new ATOM 0 HB3 PHE B 73 -1.392 -3.956 10.510 1.00 1.69 H new ATOM 0 HD1 PHE B 73 -1.918 -4.268 12.899 1.00 3.34 H new ATOM 0 HD2 PHE B 73 -4.321 -1.741 10.382 1.00 2.35 H new ATOM 0 HE1 PHE B 73 -3.484 -3.872 14.790 1.00 4.55 H new ATOM 0 HE2 PHE B 73 -5.908 -1.374 12.258 1.00 3.66 H new ATOM 0 HZ PHE B 73 -5.451 -2.383 14.485 1.00 4.52 H new ATOM 2808 N ASN B 74 -0.423 0.519 10.405 1.00 1.23 N ATOM 2809 CA ASN B 74 0.065 1.267 9.253 1.00 1.03 C ATOM 2810 C ASN B 74 1.423 1.883 9.616 1.00 0.96 C ATOM 2811 O ASN B 74 1.671 3.063 9.387 1.00 1.20 O ATOM 2812 CB ASN B 74 -0.954 2.369 8.902 1.00 1.11 C ATOM 2813 CG ASN B 74 -0.768 2.948 7.504 1.00 1.71 C ATOM 2814 OD1 ASN B 74 -1.532 2.642 6.597 1.00 2.46 O ATOM 2815 ND2 ASN B 74 0.215 3.815 7.314 1.00 1.94 N ATOM 0 H ASN B 74 -0.048 0.828 11.302 1.00 1.23 H new ATOM 0 HA ASN B 74 0.185 0.614 8.388 1.00 1.03 H new ATOM 0 HB2 ASN B 74 -1.961 1.961 8.986 1.00 1.11 H new ATOM 0 HB3 ASN B 74 -0.873 3.173 9.633 1.00 1.11 H new ATOM 0 HD21 ASN B 74 0.348 4.243 6.398 1.00 1.94 H new ATOM 0 HD22 ASN B 74 0.839 4.055 8.084 1.00 1.94 H new ATOM 2822 N GLU B 75 2.341 1.083 10.158 1.00 0.88 N ATOM 2823 CA GLU B 75 3.760 1.150 9.878 1.00 0.83 C ATOM 2824 C GLU B 75 4.051 0.167 8.746 1.00 0.80 C ATOM 2825 O GLU B 75 4.442 0.551 7.651 1.00 0.80 O ATOM 2826 CB GLU B 75 4.531 0.887 11.172 1.00 0.84 C ATOM 2827 CG GLU B 75 4.251 2.033 12.168 1.00 0.90 C ATOM 2828 CD GLU B 75 4.503 1.632 13.603 1.00 0.87 C ATOM 2829 OE1 GLU B 75 4.525 0.432 13.935 1.00 2.13 O ATOM 2830 OE2 GLU B 75 4.706 2.477 14.492 1.00 1.65 O ATOM 0 H GLU B 75 2.101 0.349 10.825 1.00 0.88 H new ATOM 0 HA GLU B 75 4.085 2.133 9.538 1.00 0.83 H new ATOM 0 HB2 GLU B 75 4.229 -0.068 11.602 1.00 0.84 H new ATOM 0 HB3 GLU B 75 5.599 0.820 10.966 1.00 0.84 H new ATOM 0 HG2 GLU B 75 4.879 2.888 11.918 1.00 0.90 H new ATOM 0 HG3 GLU B 75 3.216 2.357 12.062 1.00 0.90 H new ATOM 2837 N TYR B 76 3.788 -1.117 9.027 1.00 0.82 N ATOM 2838 CA TYR B 76 4.113 -2.272 8.193 1.00 0.83 C ATOM 2839 C TYR B 76 3.722 -2.056 6.732 1.00 0.84 C ATOM 2840 O TYR B 76 4.532 -2.277 5.830 1.00 0.80 O ATOM 2841 CB TYR B 76 3.408 -3.492 8.804 1.00 0.89 C ATOM 2842 CG TYR B 76 3.550 -4.832 8.101 1.00 1.24 C ATOM 2843 CD1 TYR B 76 4.723 -5.189 7.407 1.00 2.63 C ATOM 2844 CD2 TYR B 76 2.553 -5.802 8.314 1.00 2.20 C ATOM 2845 CE1 TYR B 76 4.918 -6.515 6.983 1.00 3.38 C ATOM 2846 CE2 TYR B 76 2.738 -7.120 7.866 1.00 2.87 C ATOM 2847 CZ TYR B 76 3.929 -7.486 7.220 1.00 3.08 C ATOM 2848 OH TYR B 76 4.180 -8.802 6.973 1.00 4.12 O ATOM 0 H TYR B 76 3.317 -1.387 9.890 1.00 0.82 H new ATOM 0 HA TYR B 76 5.191 -2.430 8.179 1.00 0.83 H new ATOM 0 HB2 TYR B 76 3.773 -3.611 9.824 1.00 0.89 H new ATOM 0 HB3 TYR B 76 2.345 -3.263 8.871 1.00 0.89 H new ATOM 0 HD1 TYR B 76 5.475 -4.442 7.200 1.00 2.63 H new ATOM 0 HD2 TYR B 76 1.641 -5.531 8.825 1.00 2.20 H new ATOM 0 HE1 TYR B 76 5.830 -6.789 6.474 1.00 3.38 H new ATOM 0 HE2 TYR B 76 1.961 -7.854 8.019 1.00 2.87 H new ATOM 0 HH TYR B 76 3.496 -9.353 7.408 1.00 4.12 H new ATOM 2858 N TRP B 77 2.486 -1.592 6.523 1.00 0.92 N ATOM 2859 CA TRP B 77 1.944 -1.232 5.221 1.00 0.90 C ATOM 2860 C TRP B 77 2.978 -0.499 4.352 1.00 0.81 C ATOM 2861 O TRP B 77 3.061 -0.801 3.164 1.00 0.80 O ATOM 2862 CB TRP B 77 0.633 -0.445 5.398 1.00 1.02 C ATOM 2863 CG TRP B 77 0.273 0.498 4.291 1.00 0.93 C ATOM 2864 CD1 TRP B 77 0.441 1.834 4.371 1.00 1.93 C ATOM 2865 CD2 TRP B 77 -0.208 0.246 2.931 1.00 1.99 C ATOM 2866 NE1 TRP B 77 0.096 2.435 3.193 1.00 1.94 N ATOM 2867 CE2 TRP B 77 -0.260 1.501 2.255 1.00 1.54 C ATOM 2868 CE3 TRP B 77 -0.609 -0.886 2.185 1.00 3.93 C ATOM 2869 CZ2 TRP B 77 -0.634 1.624 0.915 1.00 2.44 C ATOM 2870 CZ3 TRP B 77 -0.979 -0.761 0.828 1.00 4.83 C ATOM 2871 CH2 TRP B 77 -0.948 0.477 0.188 1.00 4.08 C ATOM 0 H TRP B 77 1.819 -1.455 7.283 1.00 0.92 H new ATOM 0 HA TRP B 77 1.706 -2.144 4.674 1.00 0.90 H new ATOM 0 HB2 TRP B 77 -0.182 -1.159 5.518 1.00 1.02 H new ATOM 0 HB3 TRP B 77 0.698 0.124 6.325 1.00 1.02 H new ATOM 0 HD1 TRP B 77 0.799 2.357 5.246 1.00 1.93 H new ATOM 0 HE1 TRP B 77 0.103 3.442 3.033 1.00 1.94 H new ATOM 0 HE3 TRP B 77 -0.633 -1.857 2.658 1.00 3.93 H new ATOM 0 HZ2 TRP B 77 -0.679 2.597 0.448 1.00 2.44 H new ATOM 0 HZ3 TRP B 77 -1.290 -1.637 0.278 1.00 4.83 H new ATOM 0 HH2 TRP B 77 -1.166 0.547 -0.867 1.00 4.08 H new ATOM 2882 N ARG B 78 3.783 0.419 4.920 1.00 0.77 N ATOM 2883 CA ARG B 78 4.836 1.144 4.204 1.00 0.72 C ATOM 2884 C ARG B 78 5.593 0.257 3.210 1.00 0.65 C ATOM 2885 O ARG B 78 5.808 0.663 2.066 1.00 0.70 O ATOM 2886 CB ARG B 78 5.822 1.816 5.160 1.00 0.71 C ATOM 2887 CG ARG B 78 5.247 3.072 5.838 1.00 0.97 C ATOM 2888 CD ARG B 78 6.356 4.009 6.341 1.00 1.41 C ATOM 2889 NE ARG B 78 6.935 4.789 5.231 1.00 2.23 N ATOM 2890 CZ ARG B 78 7.953 4.422 4.434 1.00 3.55 C ATOM 2891 NH1 ARG B 78 8.801 3.445 4.767 1.00 4.39 N ATOM 2892 NH2 ARG B 78 8.120 5.011 3.249 1.00 4.97 N ATOM 0 H ARG B 78 3.714 0.678 5.904 1.00 0.77 H new ATOM 0 HA ARG B 78 4.322 1.919 3.635 1.00 0.72 H new ATOM 0 HB2 ARG B 78 6.120 1.101 5.927 1.00 0.71 H new ATOM 0 HB3 ARG B 78 6.723 2.088 4.611 1.00 0.71 H new ATOM 0 HG2 ARG B 78 4.612 3.607 5.132 1.00 0.97 H new ATOM 0 HG3 ARG B 78 4.615 2.776 6.675 1.00 0.97 H new ATOM 0 HD2 ARG B 78 5.951 4.686 7.093 1.00 1.41 H new ATOM 0 HD3 ARG B 78 7.138 3.425 6.826 1.00 1.41 H new ATOM 0 HE ARG B 78 6.519 5.703 5.049 1.00 2.23 H new ATOM 0 HH11 ARG B 78 8.687 2.950 5.652 1.00 4.39 H new ATOM 0 HH12 ARG B 78 9.562 3.194 4.137 1.00 4.39 H new ATOM 0 HH21 ARG B 78 7.475 5.741 2.947 1.00 4.97 H new ATOM 0 HH22 ARG B 78 8.893 4.732 2.645 1.00 4.97 H new ATOM 2906 N LEU B 79 5.989 -0.946 3.638 1.00 0.59 N ATOM 2907 CA LEU B 79 6.779 -1.834 2.800 1.00 0.52 C ATOM 2908 C LEU B 79 6.089 -2.077 1.462 1.00 0.56 C ATOM 2909 O LEU B 79 6.771 -2.119 0.443 1.00 0.60 O ATOM 2910 CB LEU B 79 7.034 -3.174 3.507 1.00 0.60 C ATOM 2911 CG LEU B 79 8.264 -3.902 2.939 1.00 0.60 C ATOM 2912 CD1 LEU B 79 9.574 -3.328 3.491 1.00 0.55 C ATOM 2913 CD2 LEU B 79 8.166 -5.397 3.259 1.00 0.80 C ATOM 0 H LEU B 79 5.772 -1.321 4.561 1.00 0.59 H new ATOM 0 HA LEU B 79 7.737 -1.348 2.616 1.00 0.52 H new ATOM 0 HB2 LEU B 79 7.177 -2.999 4.573 1.00 0.60 H new ATOM 0 HB3 LEU B 79 6.156 -3.811 3.403 1.00 0.60 H new ATOM 0 HG LEU B 79 8.275 -3.755 1.859 1.00 0.60 H new ATOM 0 HD11 LEU B 79 10.417 -3.871 3.064 1.00 0.55 H new ATOM 0 HD12 LEU B 79 9.649 -2.273 3.226 1.00 0.55 H new ATOM 0 HD13 LEU B 79 9.588 -3.431 4.576 1.00 0.55 H new ATOM 0 HD21 LEU B 79 9.038 -5.913 2.857 1.00 0.80 H new ATOM 0 HD22 LEU B 79 8.129 -5.536 4.339 1.00 0.80 H new ATOM 0 HD23 LEU B 79 7.262 -5.807 2.809 1.00 0.80 H new ATOM 2925 N ILE B 80 4.755 -2.215 1.454 1.00 0.62 N ATOM 2926 CA ILE B 80 4.003 -2.506 0.236 1.00 0.74 C ATOM 2927 C ILE B 80 4.260 -1.402 -0.788 1.00 0.89 C ATOM 2928 O ILE B 80 4.392 -1.663 -1.979 1.00 1.02 O ATOM 2929 CB ILE B 80 2.502 -2.728 0.535 1.00 0.83 C ATOM 2930 CG1 ILE B 80 2.342 -4.056 1.290 1.00 1.15 C ATOM 2931 CG2 ILE B 80 1.683 -2.770 -0.766 1.00 1.41 C ATOM 2932 CD1 ILE B 80 0.993 -4.199 2.000 1.00 1.34 C ATOM 0 H ILE B 80 4.175 -2.128 2.289 1.00 0.62 H new ATOM 0 HA ILE B 80 4.350 -3.445 -0.195 1.00 0.74 H new ATOM 0 HB ILE B 80 2.133 -1.900 1.141 1.00 0.83 H new ATOM 0 HG12 ILE B 80 2.462 -4.881 0.587 1.00 1.15 H new ATOM 0 HG13 ILE B 80 3.141 -4.145 2.026 1.00 1.15 H new ATOM 0 HG21 ILE B 80 0.631 -2.927 -0.529 1.00 1.41 H new ATOM 0 HG22 ILE B 80 1.798 -1.826 -1.299 1.00 1.41 H new ATOM 0 HG23 ILE B 80 2.039 -3.587 -1.394 1.00 1.41 H new ATOM 0 HD11 ILE B 80 0.951 -5.161 2.512 1.00 1.34 H new ATOM 0 HD12 ILE B 80 0.878 -3.396 2.727 1.00 1.34 H new ATOM 0 HD13 ILE B 80 0.188 -4.143 1.267 1.00 1.34 H new ATOM 2944 N GLY B 81 4.355 -0.157 -0.326 1.00 0.99 N ATOM 2945 CA GLY B 81 4.476 1.002 -1.183 1.00 1.24 C ATOM 2946 C GLY B 81 5.842 1.085 -1.766 1.00 1.09 C ATOM 2947 O GLY B 81 6.017 1.404 -2.944 1.00 1.25 O ATOM 0 H GLY B 81 4.349 0.069 0.669 1.00 0.99 H new ATOM 0 HA2 GLY B 81 3.737 0.948 -1.982 1.00 1.24 H new ATOM 0 HA3 GLY B 81 4.263 1.906 -0.612 1.00 1.24 H new ATOM 2951 N GLU B 82 6.808 0.821 -0.894 1.00 0.84 N ATOM 2952 CA GLU B 82 8.167 0.853 -1.327 1.00 0.81 C ATOM 2953 C GLU B 82 8.275 -0.271 -2.343 1.00 0.79 C ATOM 2954 O GLU B 82 8.396 0.021 -3.525 1.00 0.88 O ATOM 2955 CB GLU B 82 9.124 0.800 -0.130 1.00 0.73 C ATOM 2956 CG GLU B 82 8.668 1.764 0.991 1.00 0.79 C ATOM 2957 CD GLU B 82 9.596 2.943 1.219 1.00 1.24 C ATOM 2958 OE1 GLU B 82 9.894 3.649 0.236 1.00 2.04 O ATOM 2959 OE2 GLU B 82 9.919 3.264 2.389 1.00 2.18 O ATOM 0 H GLU B 82 6.665 0.590 0.089 1.00 0.84 H new ATOM 0 HA GLU B 82 8.467 1.782 -1.811 1.00 0.81 H new ATOM 0 HB2 GLU B 82 9.170 -0.218 0.258 1.00 0.73 H new ATOM 0 HB3 GLU B 82 10.131 1.064 -0.454 1.00 0.73 H new ATOM 0 HG2 GLU B 82 7.675 2.141 0.748 1.00 0.79 H new ATOM 0 HG3 GLU B 82 8.577 1.203 1.921 1.00 0.79 H new ATOM 2966 N LEU B 83 8.072 -1.529 -1.943 1.00 0.78 N ATOM 2967 CA LEU B 83 8.243 -2.659 -2.847 1.00 0.90 C ATOM 2968 C LEU B 83 7.450 -2.477 -4.150 1.00 0.90 C ATOM 2969 O LEU B 83 7.974 -2.760 -5.226 1.00 0.93 O ATOM 2970 CB LEU B 83 8.055 -3.996 -2.105 1.00 1.46 C ATOM 2971 CG LEU B 83 6.620 -4.355 -1.691 1.00 0.65 C ATOM 2972 CD1 LEU B 83 5.845 -5.114 -2.761 1.00 1.92 C ATOM 2973 CD2 LEU B 83 6.601 -5.251 -0.449 1.00 1.42 C ATOM 0 H LEU B 83 7.789 -1.786 -0.997 1.00 0.78 H new ATOM 0 HA LEU B 83 9.276 -2.695 -3.194 1.00 0.90 H new ATOM 0 HB2 LEU B 83 8.437 -4.795 -2.740 1.00 1.46 H new ATOM 0 HB3 LEU B 83 8.674 -3.978 -1.208 1.00 1.46 H new ATOM 0 HG LEU B 83 6.150 -3.389 -1.508 1.00 0.65 H new ATOM 0 HD11 LEU B 83 4.841 -5.333 -2.397 1.00 1.92 H new ATOM 0 HD12 LEU B 83 5.779 -4.506 -3.663 1.00 1.92 H new ATOM 0 HD13 LEU B 83 6.359 -6.047 -2.990 1.00 1.92 H new ATOM 0 HD21 LEU B 83 5.570 -5.485 -0.185 1.00 1.42 H new ATOM 0 HD22 LEU B 83 7.140 -6.175 -0.658 1.00 1.42 H new ATOM 0 HD23 LEU B 83 7.079 -4.732 0.382 1.00 1.42 H new ATOM 2985 N ALA B 84 6.230 -1.926 -4.073 1.00 0.95 N ATOM 2986 CA ALA B 84 5.470 -1.546 -5.254 1.00 1.04 C ATOM 2987 C ALA B 84 6.259 -0.616 -6.175 1.00 1.05 C ATOM 2988 O ALA B 84 6.456 -0.948 -7.340 1.00 1.41 O ATOM 2989 CB ALA B 84 4.122 -0.920 -4.882 1.00 1.07 C ATOM 0 H ALA B 84 5.752 -1.736 -3.192 1.00 0.95 H new ATOM 0 HA ALA B 84 5.277 -2.467 -5.804 1.00 1.04 H new ATOM 0 HB1 ALA B 84 3.584 -0.649 -5.790 1.00 1.07 H new ATOM 0 HB2 ALA B 84 3.533 -1.638 -4.311 1.00 1.07 H new ATOM 0 HB3 ALA B 84 4.289 -0.027 -4.280 1.00 1.07 H new ATOM 2995 N LYS B 85 6.678 0.562 -5.702 1.00 0.78 N ATOM 2996 CA LYS B 85 7.321 1.526 -6.591 1.00 0.94 C ATOM 2997 C LYS B 85 8.744 1.091 -6.966 1.00 0.73 C ATOM 2998 O LYS B 85 9.178 1.350 -8.091 1.00 0.78 O ATOM 2999 CB LYS B 85 7.240 2.956 -6.033 1.00 1.34 C ATOM 3000 CG LYS B 85 8.365 3.296 -5.052 1.00 1.03 C ATOM 3001 CD LYS B 85 8.112 4.650 -4.368 1.00 1.25 C ATOM 3002 CE LYS B 85 8.064 4.531 -2.843 1.00 0.77 C ATOM 3003 NZ LYS B 85 9.348 4.004 -2.310 1.00 1.57 N ATOM 0 H LYS B 85 6.586 0.864 -4.732 1.00 0.78 H new ATOM 0 HA LYS B 85 6.762 1.543 -7.527 1.00 0.94 H new ATOM 0 HB2 LYS B 85 7.267 3.663 -6.862 1.00 1.34 H new ATOM 0 HB3 LYS B 85 6.281 3.088 -5.533 1.00 1.34 H new ATOM 0 HG2 LYS B 85 8.443 2.513 -4.298 1.00 1.03 H new ATOM 0 HG3 LYS B 85 9.317 3.325 -5.582 1.00 1.03 H new ATOM 0 HD2 LYS B 85 8.898 5.350 -4.651 1.00 1.25 H new ATOM 0 HD3 LYS B 85 7.171 5.066 -4.727 1.00 1.25 H new ATOM 0 HE2 LYS B 85 7.857 5.507 -2.405 1.00 0.77 H new ATOM 0 HE3 LYS B 85 7.247 3.871 -2.551 1.00 0.77 H new ATOM 0 HZ1 LYS B 85 9.232 3.757 -1.307 1.00 1.57 H new ATOM 0 HZ2 LYS B 85 9.624 3.157 -2.846 1.00 1.57 H new ATOM 0 HZ3 LYS B 85 10.087 4.730 -2.404 1.00 1.57 H new ATOM 3017 N GLU B 86 9.463 0.451 -6.031 1.00 0.65 N ATOM 3018 CA GLU B 86 10.836 -0.012 -6.183 1.00 0.70 C ATOM 3019 C GLU B 86 10.999 -0.785 -7.491 1.00 0.71 C ATOM 3020 O GLU B 86 12.059 -0.695 -8.106 1.00 0.89 O ATOM 3021 CB GLU B 86 11.272 -0.932 -5.020 1.00 0.76 C ATOM 3022 CG GLU B 86 11.408 -0.328 -3.603 1.00 0.84 C ATOM 3023 CD GLU B 86 11.602 1.187 -3.530 1.00 1.78 C ATOM 3024 OE1 GLU B 86 12.765 1.614 -3.673 1.00 2.12 O ATOM 3025 OE2 GLU B 86 10.603 1.906 -3.278 1.00 2.93 O ATOM 0 H GLU B 86 9.079 0.236 -5.111 1.00 0.65 H new ATOM 0 HA GLU B 86 11.465 0.878 -6.184 1.00 0.70 H new ATOM 0 HB2 GLU B 86 10.556 -1.752 -4.962 1.00 0.76 H new ATOM 0 HB3 GLU B 86 12.235 -1.368 -5.287 1.00 0.76 H new ATOM 0 HG2 GLU B 86 10.516 -0.587 -3.033 1.00 0.84 H new ATOM 0 HG3 GLU B 86 12.253 -0.806 -3.107 1.00 0.84 H new ATOM 3032 N ILE B 87 9.960 -1.524 -7.920 1.00 0.63 N ATOM 3033 CA ILE B 87 9.925 -2.210 -9.202 1.00 0.68 C ATOM 3034 C ILE B 87 10.549 -1.339 -10.306 1.00 0.84 C ATOM 3035 O ILE B 87 11.383 -1.804 -11.080 1.00 1.06 O ATOM 3036 CB ILE B 87 8.471 -2.654 -9.499 1.00 0.67 C ATOM 3037 CG1 ILE B 87 8.487 -3.826 -10.492 1.00 0.77 C ATOM 3038 CG2 ILE B 87 7.581 -1.523 -10.040 1.00 0.81 C ATOM 3039 CD1 ILE B 87 7.115 -4.494 -10.546 1.00 0.75 C ATOM 0 H ILE B 87 9.112 -1.657 -7.368 1.00 0.63 H new ATOM 0 HA ILE B 87 10.536 -3.112 -9.169 1.00 0.68 H new ATOM 0 HB ILE B 87 8.035 -2.960 -8.548 1.00 0.67 H new ATOM 0 HG12 ILE B 87 8.764 -3.468 -11.484 1.00 0.77 H new ATOM 0 HG13 ILE B 87 9.242 -4.554 -10.194 1.00 0.77 H new ATOM 0 HG21 ILE B 87 6.578 -1.907 -10.225 1.00 0.81 H new ATOM 0 HG22 ILE B 87 7.532 -0.717 -9.308 1.00 0.81 H new ATOM 0 HG23 ILE B 87 8.002 -1.143 -10.971 1.00 0.81 H new ATOM 0 HD11 ILE B 87 7.141 -5.323 -11.254 1.00 0.75 H new ATOM 0 HD12 ILE B 87 6.854 -4.870 -9.557 1.00 0.75 H new ATOM 0 HD13 ILE B 87 6.369 -3.767 -10.866 1.00 0.75 H new ATOM 3051 N ARG B 88 10.134 -0.069 -10.371 1.00 0.87 N ATOM 3052 CA ARG B 88 10.748 0.975 -11.171 1.00 1.13 C ATOM 3053 C ARG B 88 11.913 1.648 -10.429 1.00 1.07 C ATOM 3054 O ARG B 88 13.018 1.783 -10.952 1.00 1.54 O ATOM 3055 CB ARG B 88 9.642 1.958 -11.581 1.00 1.36 C ATOM 3056 CG ARG B 88 10.133 3.079 -12.503 1.00 2.08 C ATOM 3057 CD ARG B 88 8.922 3.847 -13.048 1.00 2.01 C ATOM 3058 NE ARG B 88 9.313 5.159 -13.583 1.00 2.17 N ATOM 3059 CZ ARG B 88 8.467 6.191 -13.729 1.00 3.02 C ATOM 3060 NH1 ARG B 88 7.147 6.006 -13.677 1.00 4.19 N ATOM 3061 NH2 ARG B 88 8.927 7.431 -13.897 1.00 3.63 N ATOM 0 H ARG B 88 9.328 0.264 -9.843 1.00 0.87 H new ATOM 0 HA ARG B 88 11.199 0.554 -12.070 1.00 1.13 H new ATOM 0 HB2 ARG B 88 8.846 1.408 -12.083 1.00 1.36 H new ATOM 0 HB3 ARG B 88 9.208 2.400 -10.684 1.00 1.36 H new ATOM 0 HG2 ARG B 88 10.792 3.754 -11.956 1.00 2.08 H new ATOM 0 HG3 ARG B 88 10.715 2.662 -13.325 1.00 2.08 H new ATOM 0 HD2 ARG B 88 8.441 3.262 -13.832 1.00 2.01 H new ATOM 0 HD3 ARG B 88 8.187 3.981 -12.254 1.00 2.01 H new ATOM 0 HE ARG B 88 10.285 5.293 -13.860 1.00 2.17 H new ATOM 0 HH11 ARG B 88 6.769 5.071 -13.525 1.00 4.19 H new ATOM 0 HH12 ARG B 88 6.516 6.799 -13.790 1.00 4.19 H new ATOM 0 HH21 ARG B 88 9.932 7.604 -13.916 1.00 3.63 H new ATOM 0 HH22 ARG B 88 8.274 8.207 -14.007 1.00 3.63 H new ATOM 3075 N LYS B 89 11.626 2.184 -9.240 1.00 0.80 N ATOM 3076 CA LYS B 89 12.400 3.238 -8.588 1.00 1.07 C ATOM 3077 C LYS B 89 13.568 2.695 -7.767 1.00 1.37 C ATOM 3078 O LYS B 89 13.702 2.992 -6.582 1.00 2.25 O ATOM 3079 CB LYS B 89 11.398 4.083 -7.791 1.00 1.40 C ATOM 3080 CG LYS B 89 10.795 5.128 -8.733 1.00 2.99 C ATOM 3081 CD LYS B 89 9.292 5.209 -8.516 1.00 4.00 C ATOM 3082 CE LYS B 89 8.710 6.157 -9.577 1.00 5.98 C ATOM 3083 NZ LYS B 89 7.249 6.297 -9.474 1.00 7.35 N ATOM 0 H LYS B 89 10.822 1.885 -8.688 1.00 0.80 H new ATOM 0 HA LYS B 89 12.902 3.869 -9.321 1.00 1.07 H new ATOM 0 HB2 LYS B 89 10.614 3.450 -7.374 1.00 1.40 H new ATOM 0 HB3 LYS B 89 11.895 4.570 -6.952 1.00 1.40 H new ATOM 0 HG2 LYS B 89 11.251 6.101 -8.551 1.00 2.99 H new ATOM 0 HG3 LYS B 89 11.009 4.864 -9.769 1.00 2.99 H new ATOM 0 HD2 LYS B 89 8.841 4.220 -8.600 1.00 4.00 H new ATOM 0 HD3 LYS B 89 9.071 5.576 -7.514 1.00 4.00 H new ATOM 0 HE2 LYS B 89 9.173 7.138 -9.474 1.00 5.98 H new ATOM 0 HE3 LYS B 89 8.966 5.786 -10.569 1.00 5.98 H new ATOM 0 HZ1 LYS B 89 6.856 6.536 -10.407 1.00 7.35 H new ATOM 0 HZ2 LYS B 89 6.837 5.401 -9.144 1.00 7.35 H new ATOM 0 HZ3 LYS B 89 7.020 7.053 -8.798 1.00 7.35 H new ATOM 3097 N LYS B 90 14.444 1.966 -8.463 1.00 1.41 N ATOM 3098 CA LYS B 90 15.557 1.184 -7.941 1.00 1.70 C ATOM 3099 C LYS B 90 16.296 1.844 -6.769 1.00 1.62 C ATOM 3100 O LYS B 90 16.672 1.153 -5.824 1.00 1.82 O ATOM 3101 CB LYS B 90 16.514 0.904 -9.109 1.00 2.09 C ATOM 3102 CG LYS B 90 17.613 -0.102 -8.748 1.00 2.92 C ATOM 3103 CD LYS B 90 18.461 -0.397 -9.991 1.00 3.10 C ATOM 3104 CE LYS B 90 19.559 -1.420 -9.667 1.00 4.46 C ATOM 3105 NZ LYS B 90 20.369 -1.760 -10.857 1.00 5.32 N ATOM 0 H LYS B 90 14.386 1.905 -9.480 1.00 1.41 H new ATOM 0 HA LYS B 90 15.156 0.261 -7.523 1.00 1.70 H new ATOM 0 HB2 LYS B 90 15.944 0.524 -9.957 1.00 2.09 H new ATOM 0 HB3 LYS B 90 16.974 1.839 -9.428 1.00 2.09 H new ATOM 0 HG2 LYS B 90 18.241 0.299 -7.952 1.00 2.92 H new ATOM 0 HG3 LYS B 90 17.169 -1.023 -8.370 1.00 2.92 H new ATOM 0 HD2 LYS B 90 17.825 -0.779 -10.789 1.00 3.10 H new ATOM 0 HD3 LYS B 90 18.912 0.525 -10.357 1.00 3.10 H new ATOM 0 HE2 LYS B 90 20.209 -1.020 -8.889 1.00 4.46 H new ATOM 0 HE3 LYS B 90 19.104 -2.326 -9.268 1.00 4.46 H new ATOM 0 HZ1 LYS B 90 21.098 -2.453 -10.594 1.00 5.32 H new ATOM 0 HZ2 LYS B 90 19.754 -2.166 -11.591 1.00 5.32 H new ATOM 0 HZ3 LYS B 90 20.825 -0.900 -11.224 1.00 5.32 H new ATOM 3119 N LYS B 91 16.558 3.150 -6.839 1.00 1.60 N ATOM 3120 CA LYS B 91 17.156 3.903 -5.745 1.00 1.76 C ATOM 3121 C LYS B 91 16.666 5.346 -5.826 1.00 1.65 C ATOM 3122 O LYS B 91 17.472 6.278 -5.766 1.00 2.17 O ATOM 3123 CB LYS B 91 18.692 3.798 -5.816 1.00 2.51 C ATOM 3124 CG LYS B 91 19.245 4.063 -7.233 1.00 3.87 C ATOM 3125 CD LYS B 91 20.416 5.065 -7.292 1.00 4.88 C ATOM 3126 CE LYS B 91 20.107 6.198 -8.284 1.00 6.49 C ATOM 3127 NZ LYS B 91 19.023 7.076 -7.801 1.00 7.26 N ATOM 0 H LYS B 91 16.358 3.715 -7.664 1.00 1.60 H new ATOM 0 HA LYS B 91 16.855 3.494 -4.780 1.00 1.76 H new ATOM 0 HB2 LYS B 91 19.133 4.511 -5.120 1.00 2.51 H new ATOM 0 HB3 LYS B 91 18.999 2.804 -5.491 1.00 2.51 H new ATOM 0 HG2 LYS B 91 19.573 3.117 -7.663 1.00 3.87 H new ATOM 0 HG3 LYS B 91 18.435 4.435 -7.861 1.00 3.87 H new ATOM 0 HD2 LYS B 91 20.596 5.481 -6.301 1.00 4.88 H new ATOM 0 HD3 LYS B 91 21.328 4.550 -7.592 1.00 4.88 H new ATOM 0 HE2 LYS B 91 21.007 6.790 -8.449 1.00 6.49 H new ATOM 0 HE3 LYS B 91 19.826 5.770 -9.246 1.00 6.49 H new ATOM 0 HZ1 LYS B 91 18.356 7.263 -8.577 1.00 7.26 H new ATOM 0 HZ2 LYS B 91 18.521 6.610 -7.018 1.00 7.26 H new ATOM 0 HZ3 LYS B 91 19.427 7.974 -7.467 1.00 7.26 H new ATOM 3141 N ASP B 92 15.362 5.535 -6.055 1.00 1.64 N ATOM 3142 CA ASP B 92 14.838 6.791 -6.581 1.00 2.05 C ATOM 3143 C ASP B 92 13.529 7.124 -5.869 1.00 2.58 C ATOM 3144 O ASP B 92 12.451 7.032 -6.456 1.00 3.40 O ATOM 3145 CB ASP B 92 14.681 6.661 -8.106 1.00 2.38 C ATOM 3146 CG ASP B 92 15.982 6.223 -8.764 1.00 3.30 C ATOM 3147 OD1 ASP B 92 16.798 7.118 -9.084 1.00 3.92 O ATOM 3148 OD2 ASP B 92 16.206 4.993 -8.832 1.00 4.34 O ATOM 0 H ASP B 92 14.649 4.826 -5.881 1.00 1.64 H new ATOM 0 HA ASP B 92 15.522 7.619 -6.394 1.00 2.05 H new ATOM 0 HB2 ASP B 92 13.896 5.939 -8.332 1.00 2.38 H new ATOM 0 HB3 ASP B 92 14.364 7.617 -8.523 1.00 2.38 H new ATOM 3153 N LEU B 93 13.624 7.481 -4.582 1.00 2.52 N ATOM 3154 CA LEU B 93 12.466 7.578 -3.703 1.00 3.27 C ATOM 3155 C LEU B 93 12.535 8.744 -2.710 1.00 3.41 C ATOM 3156 O LEU B 93 11.701 9.640 -2.777 1.00 3.99 O ATOM 3157 CB LEU B 93 12.158 6.217 -3.047 1.00 3.77 C ATOM 3158 CG LEU B 93 13.248 5.531 -2.191 1.00 4.02 C ATOM 3159 CD1 LEU B 93 12.612 4.345 -1.469 1.00 5.44 C ATOM 3160 CD2 LEU B 93 14.442 5.001 -2.993 1.00 4.29 C ATOM 0 H LEU B 93 14.508 7.709 -4.127 1.00 2.52 H new ATOM 0 HA LEU B 93 11.611 7.830 -4.331 1.00 3.27 H new ATOM 0 HB2 LEU B 93 11.279 6.348 -2.416 1.00 3.77 H new ATOM 0 HB3 LEU B 93 11.880 5.525 -3.842 1.00 3.77 H new ATOM 0 HG LEU B 93 13.632 6.293 -1.513 1.00 4.02 H new ATOM 0 HD11 LEU B 93 13.364 3.845 -0.858 1.00 5.44 H new ATOM 0 HD12 LEU B 93 11.803 4.699 -0.831 1.00 5.44 H new ATOM 0 HD13 LEU B 93 12.215 3.643 -2.202 1.00 5.44 H new ATOM 0 HD21 LEU B 93 15.158 4.536 -2.315 1.00 4.29 H new ATOM 0 HD22 LEU B 93 14.095 4.263 -3.717 1.00 4.29 H new ATOM 0 HD23 LEU B 93 14.923 5.826 -3.518 1.00 4.29 H new ATOM 3172 N LYS B 94 13.472 8.720 -1.756 1.00 3.21 N ATOM 3173 CA LYS B 94 13.564 9.659 -0.644 1.00 3.64 C ATOM 3174 C LYS B 94 14.757 9.269 0.229 1.00 2.80 C ATOM 3175 O LYS B 94 15.330 8.198 0.037 1.00 3.23 O ATOM 3176 CB LYS B 94 12.259 9.744 0.182 1.00 5.46 C ATOM 3177 CG LYS B 94 11.477 8.446 0.443 1.00 6.71 C ATOM 3178 CD LYS B 94 12.243 7.377 1.238 1.00 6.86 C ATOM 3179 CE LYS B 94 11.269 6.244 1.612 1.00 8.86 C ATOM 3180 NZ LYS B 94 11.944 4.981 1.982 1.00 9.33 N ATOM 0 H LYS B 94 14.212 8.018 -1.741 1.00 3.21 H new ATOM 0 HA LYS B 94 13.714 10.659 -1.050 1.00 3.64 H new ATOM 0 HB2 LYS B 94 12.505 10.184 1.148 1.00 5.46 H new ATOM 0 HB3 LYS B 94 11.590 10.440 -0.324 1.00 5.46 H new ATOM 0 HG2 LYS B 94 10.562 8.692 0.982 1.00 6.71 H new ATOM 0 HG3 LYS B 94 11.178 8.021 -0.515 1.00 6.71 H new ATOM 0 HD2 LYS B 94 13.069 6.984 0.644 1.00 6.86 H new ATOM 0 HD3 LYS B 94 12.677 7.814 2.137 1.00 6.86 H new ATOM 0 HE2 LYS B 94 10.647 6.571 2.445 1.00 8.86 H new ATOM 0 HE3 LYS B 94 10.602 6.057 0.770 1.00 8.86 H new ATOM 0 HZ1 LYS B 94 11.258 4.339 2.428 1.00 9.33 H new ATOM 0 HZ2 LYS B 94 12.334 4.533 1.128 1.00 9.33 H new ATOM 0 HZ3 LYS B 94 12.715 5.182 2.650 1.00 9.33 H new ATOM 3194 N ILE B 95 15.106 10.130 1.187 1.00 3.00 N ATOM 3195 CA ILE B 95 16.152 9.925 2.177 1.00 3.62 C ATOM 3196 C ILE B 95 15.680 10.611 3.461 1.00 3.81 C ATOM 3197 O ILE B 95 14.841 11.510 3.393 1.00 4.52 O ATOM 3198 CB ILE B 95 17.492 10.477 1.650 1.00 4.69 C ATOM 3199 CG1 ILE B 95 18.647 10.107 2.598 1.00 5.97 C ATOM 3200 CG2 ILE B 95 17.436 11.994 1.413 1.00 5.60 C ATOM 3201 CD1 ILE B 95 20.023 10.325 1.961 1.00 7.13 C ATOM 0 H ILE B 95 14.641 11.031 1.294 1.00 3.00 H new ATOM 0 HA ILE B 95 16.329 8.869 2.381 1.00 3.62 H new ATOM 0 HB ILE B 95 17.679 10.009 0.683 1.00 4.69 H new ATOM 0 HG12 ILE B 95 18.572 10.704 3.507 1.00 5.97 H new ATOM 0 HG13 ILE B 95 18.549 9.063 2.894 1.00 5.97 H new ATOM 0 HG21 ILE B 95 18.401 12.340 1.042 1.00 5.60 H new ATOM 0 HG22 ILE B 95 16.663 12.219 0.678 1.00 5.60 H new ATOM 0 HG23 ILE B 95 17.205 12.500 2.350 1.00 5.60 H new ATOM 0 HD11 ILE B 95 20.801 10.049 2.672 1.00 7.13 H new ATOM 0 HD12 ILE B 95 20.112 9.707 1.067 1.00 7.13 H new ATOM 0 HD13 ILE B 95 20.136 11.375 1.689 1.00 7.13 H new ATOM 3213 N ARG B 96 16.169 10.171 4.624 1.00 4.24 N ATOM 3214 CA ARG B 96 15.734 10.707 5.907 1.00 4.58 C ATOM 3215 C ARG B 96 16.075 12.198 5.991 1.00 3.96 C ATOM 3216 O ARG B 96 17.217 12.583 5.748 1.00 4.41 O ATOM 3217 CB ARG B 96 16.378 9.898 7.049 1.00 6.04 C ATOM 3218 CG ARG B 96 15.672 10.034 8.412 1.00 7.39 C ATOM 3219 CD ARG B 96 16.012 11.290 9.231 1.00 7.47 C ATOM 3220 NE ARG B 96 17.443 11.361 9.566 1.00 7.69 N ATOM 3221 CZ ARG B 96 18.017 12.353 10.270 1.00 7.96 C ATOM 3222 NH1 ARG B 96 17.286 13.399 10.671 1.00 8.08 N ATOM 3223 NH2 ARG B 96 19.319 12.288 10.574 1.00 8.55 N ATOM 0 H ARG B 96 16.874 9.437 4.698 1.00 4.24 H new ATOM 0 HA ARG B 96 14.652 10.614 6.004 1.00 4.58 H new ATOM 0 HB2 ARG B 96 16.393 8.845 6.767 1.00 6.04 H new ATOM 0 HB3 ARG B 96 17.415 10.214 7.159 1.00 6.04 H new ATOM 0 HG2 ARG B 96 14.595 10.016 8.243 1.00 7.39 H new ATOM 0 HG3 ARG B 96 15.915 9.157 9.013 1.00 7.39 H new ATOM 0 HD2 ARG B 96 15.728 12.178 8.667 1.00 7.47 H new ATOM 0 HD3 ARG B 96 15.424 11.294 10.149 1.00 7.47 H new ATOM 0 HE ARG B 96 18.043 10.603 9.241 1.00 7.69 H new ATOM 0 HH11 ARG B 96 16.293 13.445 10.443 1.00 8.08 H new ATOM 0 HH12 ARG B 96 17.722 14.151 11.205 1.00 8.08 H new ATOM 0 HH21 ARG B 96 19.874 11.487 10.272 1.00 8.55 H new ATOM 0 HH22 ARG B 96 19.756 13.039 11.108 1.00 8.55 H new ATOM 3237 N LYS B 97 15.098 13.005 6.404 1.00 3.76 N ATOM 3238 CA LYS B 97 15.118 14.456 6.520 1.00 3.52 C ATOM 3239 C LYS B 97 13.780 14.806 7.168 1.00 3.81 C ATOM 3240 O LYS B 97 12.762 14.206 6.826 1.00 4.59 O ATOM 3241 CB LYS B 97 15.215 15.144 5.144 1.00 3.92 C ATOM 3242 CG LYS B 97 16.644 15.559 4.767 1.00 5.27 C ATOM 3243 CD LYS B 97 16.635 16.338 3.444 1.00 6.49 C ATOM 3244 CE LYS B 97 18.023 16.878 3.071 1.00 8.39 C ATOM 3245 NZ LYS B 97 19.015 15.802 2.861 1.00 9.85 N ATOM 0 H LYS B 97 14.196 12.623 6.690 1.00 3.76 H new ATOM 0 HA LYS B 97 15.982 14.792 7.093 1.00 3.52 H new ATOM 0 HB2 LYS B 97 14.828 14.469 4.381 1.00 3.92 H new ATOM 0 HB3 LYS B 97 14.576 16.027 5.142 1.00 3.92 H new ATOM 0 HG2 LYS B 97 17.073 16.175 5.558 1.00 5.27 H new ATOM 0 HG3 LYS B 97 17.275 14.675 4.673 1.00 5.27 H new ATOM 0 HD2 LYS B 97 16.275 15.689 2.646 1.00 6.49 H new ATOM 0 HD3 LYS B 97 15.934 17.169 3.520 1.00 6.49 H new ATOM 0 HE2 LYS B 97 17.944 17.476 2.163 1.00 8.39 H new ATOM 0 HE3 LYS B 97 18.375 17.542 3.861 1.00 8.39 H new ATOM 0 HZ1 LYS B 97 19.925 16.219 2.579 1.00 9.85 H new ATOM 0 HZ2 LYS B 97 19.139 15.267 3.744 1.00 9.85 H new ATOM 0 HZ3 LYS B 97 18.680 15.162 2.112 1.00 9.85 H new ATOM 3259 N LYS B 98 13.814 15.699 8.153 1.00 3.88 N ATOM 3260 CA LYS B 98 12.712 16.144 8.979 1.00 4.41 C ATOM 3261 C LYS B 98 13.311 17.296 9.787 1.00 4.24 C ATOM 3262 O LYS B 98 14.562 17.332 9.846 1.00 4.53 O ATOM 3263 CB LYS B 98 12.221 14.988 9.876 1.00 5.71 C ATOM 3264 CG LYS B 98 11.282 15.411 11.019 1.00 6.56 C ATOM 3265 CD LYS B 98 9.935 15.965 10.524 1.00 7.13 C ATOM 3266 CE LYS B 98 9.414 17.078 11.447 1.00 6.99 C ATOM 3267 NZ LYS B 98 10.141 18.349 11.237 1.00 6.32 N ATOM 3268 OXT LYS B 98 12.520 18.105 10.320 1.00 4.70 O ATOM 0 H LYS B 98 14.686 16.163 8.409 1.00 3.88 H new ATOM 0 HA LYS B 98 11.836 16.462 8.414 1.00 4.41 H new ATOM 0 HB2 LYS B 98 11.705 14.257 9.253 1.00 5.71 H new ATOM 0 HB3 LYS B 98 13.088 14.486 10.304 1.00 5.71 H new ATOM 0 HG2 LYS B 98 11.099 14.553 11.666 1.00 6.56 H new ATOM 0 HG3 LYS B 98 11.778 16.168 11.626 1.00 6.56 H new ATOM 0 HD2 LYS B 98 10.049 16.353 9.512 1.00 7.13 H new ATOM 0 HD3 LYS B 98 9.204 15.158 10.475 1.00 7.13 H new ATOM 0 HE2 LYS B 98 8.350 17.233 11.265 1.00 6.99 H new ATOM 0 HE3 LYS B 98 9.518 16.767 12.486 1.00 6.99 H new ATOM 0 HZ1 LYS B 98 10.429 18.740 12.157 1.00 6.32 H new ATOM 0 HZ2 LYS B 98 10.985 18.174 10.655 1.00 6.32 H new ATOM 0 HZ3 LYS B 98 9.521 19.028 10.751 1.00 6.32 H new TER 3282 LYS B 98 HETATM 3283 CA CA A 197 -1.454 12.062 -14.552 1.00 0.93 CA HETATM 3284 CA CA A 198 1.060 16.471 -4.273 1.00 1.24 CA HETATM 3285 CA CA B 199 3.332 -10.653 15.248 1.00 1.19 CA HETATM 3286 CA CA B 200 5.773 0.910 15.811 1.00 0.92 CA