USER MOD reduce.3.24.130724 H: found=0, std=0, add=1668, rem=0, adj=55 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 44 GLN : amide:sc= 0.846 K(o=1.5,f=-0.18) USER MOD Set 1.2: B 45 GLN : amide:sc= 0.623 K(o=1.5,f=-4.7!) USER MOD Set 2.1: A 85 LYS NZ :NH3+ -102:sc= 2.19 (180deg=-1.4) USER MOD Set 2.2: B 74 ASN : amide:sc= -1.63 K(o=0.57,f=-13!) USER MOD Set 3.1: A 48 HIS : no HE2:sc= 1.49 K(o=2.7,f=-10!) USER MOD Set 3.2: A 51 LYS NZ :NH3+ 169:sc= 1.2 (180deg=0) USER MOD Set 4.1: A 44 GLN : amide:sc= -1.09 K(o=-2.7,f=-1.1) USER MOD Set 4.2: A 45 GLN : amide:sc= -1.63 K(o=-2.7,f=-4.7!) USER MOD Single : A 1 MET CE :methyl -176:sc= 0 (180deg=-0.035) USER MOD Single : A 1 MET N :NH3+ -102:sc= 0.237 (180deg=-0.0251) USER MOD Single : A 7 THR OG1 : rot -174:sc= 1.16 USER MOD Single : A 12 SER OG : rot -78:sc= 1.07 USER MOD Single : A 15 THR OG1 : rot 147:sc= 1.27 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 83:sc= 1.02 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0232 USER MOD Single : A 26 GLN : amide:sc= 2.06 K(o=2.1,f=-7.4!) USER MOD Single : A 30 LYS NZ :NH3+ -173:sc= 0.0588 (180deg=0.0515) USER MOD Single : A 32 SER OG : rot 78:sc= 0.438 USER MOD Single : A 34 SER OG : rot 84:sc= 1.27 USER MOD Single : A 36 ASN : amide:sc= 2.26 K(o=2.3,f=-0.25) USER MOD Single : A 39 LYS NZ :NH3+ -170:sc= 2.38 (180deg=1.5) USER MOD Single : A 43 THR OG1 : rot 87:sc= 1.12 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 172:sc= -0.662 (180deg=-0.831) USER MOD Single : A 60 MET CE :methyl -145:sc= 0 (180deg=-1.79) USER MOD Single : A 61 LYS NZ :NH3+ -178:sc= 0.933 (180deg=0.519) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0.609 K(o=0.61,f=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -157:sc= 2.41 (180deg=1.82) USER MOD Single : A 74 ASN : amide:sc= -0.0507 K(o=-0.051,f=-0.79) USER MOD Single : A 76 TYR OH : rot 180:sc= -0.56 USER MOD Single : A 89 LYS NZ :NH3+ -165:sc= 0.868 (180deg=-0.13) USER MOD Single : A 90 LYS NZ :NH3+ -152:sc= 2.76 (180deg=1.09!) USER MOD Single : A 91 LYS NZ :NH3+ -130:sc= 1.24 (180deg=0.759) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 170:sc= 0.908 (180deg=-0.666!) USER MOD Single : A 98 LYS NZ :NH3+ -163:sc= 0.758 (180deg=0.28) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 142:sc= 1.49 (180deg=0.225) USER MOD Single : B 7 THR OG1 : rot 130:sc= 0.0258 USER MOD Single : B 12 SER OG : rot 12:sc= 1.07 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 76:sc= 1.18 USER MOD Single : B 22 THR OG1 : rot 180:sc= 0.944 USER MOD Single : B 26 GLN : amide:sc=-0.00358 K(o=-0.0036,f=-1.4!) USER MOD Single : B 30 LYS NZ :NH3+ -146:sc= 3.34 (180deg=0.968) USER MOD Single : B 32 SER OG : rot -150:sc= 1.25 USER MOD Single : B 34 SER OG : rot -67:sc= 1.08 USER MOD Single : B 36 ASN : amide:sc= 1.22 K(o=1.2,f=-0.15) USER MOD Single : B 39 LYS NZ :NH3+ 179:sc= 1.18 (180deg=1.12) USER MOD Single : B 43 THR OG1 : rot 84:sc= 1.16 USER MOD Single : B 48 HIS : no HD1:sc= 0 X(o=0,f=-0.071) USER MOD Single : B 51 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0559) USER MOD Single : B 55 SER OG : rot 80:sc= 1.44 USER MOD Single : B 59 LYS NZ :NH3+ 168:sc= 1.07 (180deg=0.627) USER MOD Single : B 60 MET CE :methyl 174:sc= 0 (180deg=-0.0813) USER MOD Single : B 61 LYS NZ :NH3+ 124:sc= 1.19 (180deg=0.5) USER MOD Single : B 62 SER OG : rot 77:sc= 1.2 USER MOD Single : B 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 72 LYS NZ :NH3+ -139:sc= 0.849 (180deg=-0.642!) USER MOD Single : B 76 TYR OH : rot -138:sc= 1.08 USER MOD Single : B 85 LYS NZ :NH3+ -168:sc= 2.1 (180deg=1.98) USER MOD Single : B 89 LYS NZ :NH3+ -173:sc= 2.11 (180deg=1.79) USER MOD Single : B 90 LYS NZ :NH3+ -126:sc= 1.04 (180deg=-0.995) USER MOD Single : B 91 LYS NZ :NH3+ -152:sc= 0.731 (180deg=0.383) USER MOD Single : B 94 LYS NZ :NH3+ 160:sc= 1.02 (180deg=0.417) USER MOD Single : B 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.988 -20.724 -25.656 1.00 6.77 N ATOM 2 CA MET A 1 9.308 -20.816 -24.353 1.00 4.65 C ATOM 3 C MET A 1 9.842 -19.664 -23.511 1.00 4.17 C ATOM 4 O MET A 1 10.948 -19.214 -23.803 1.00 5.31 O ATOM 5 CB MET A 1 9.571 -22.172 -23.684 1.00 4.35 C ATOM 6 CG MET A 1 8.812 -23.313 -24.379 1.00 4.81 C ATOM 7 SD MET A 1 9.021 -24.961 -23.653 1.00 5.95 S ATOM 8 CE MET A 1 10.756 -25.296 -24.039 1.00 7.45 C ATOM 0 H1 MET A 1 9.344 -20.302 -26.355 1.00 6.77 H new ATOM 0 H2 MET A 1 10.836 -20.129 -25.564 1.00 6.77 H new ATOM 0 H3 MET A 1 10.265 -21.676 -25.971 1.00 6.77 H new ATOM 0 HA MET A 1 8.226 -20.745 -24.467 1.00 4.65 H new ATOM 0 HB2 MET A 1 10.640 -22.384 -23.702 1.00 4.35 H new ATOM 0 HB3 MET A 1 9.273 -22.123 -22.637 1.00 4.35 H new ATOM 0 HG2 MET A 1 7.750 -23.069 -24.379 1.00 4.81 H new ATOM 0 HG3 MET A 1 9.130 -23.353 -25.421 1.00 4.81 H new ATOM 0 HE1 MET A 1 11.012 -26.306 -23.717 1.00 7.45 H new ATOM 0 HE2 MET A 1 10.913 -25.207 -25.114 1.00 7.45 H new ATOM 0 HE3 MET A 1 11.390 -24.578 -23.519 1.00 7.45 H new ATOM 20 N ALA A 2 9.064 -19.164 -22.548 1.00 3.03 N ATOM 21 CA ALA A 2 9.345 -17.960 -21.779 1.00 2.89 C ATOM 22 C ALA A 2 8.278 -17.846 -20.699 1.00 2.42 C ATOM 23 O ALA A 2 7.333 -18.635 -20.700 1.00 2.55 O ATOM 24 CB ALA A 2 9.331 -16.728 -22.694 1.00 3.45 C ATOM 0 H ALA A 2 8.187 -19.608 -22.276 1.00 3.03 H new ATOM 0 HA ALA A 2 10.334 -18.016 -21.324 1.00 2.89 H new ATOM 0 HB1 ALA A 2 9.543 -15.835 -22.105 1.00 3.45 H new ATOM 0 HB2 ALA A 2 10.090 -16.841 -23.468 1.00 3.45 H new ATOM 0 HB3 ALA A 2 8.350 -16.632 -23.159 1.00 3.45 H new ATOM 30 N ALA A 3 8.456 -16.853 -19.825 1.00 2.41 N ATOM 31 CA ALA A 3 7.583 -16.434 -18.739 1.00 2.40 C ATOM 32 C ALA A 3 8.079 -16.981 -17.399 1.00 2.06 C ATOM 33 O ALA A 3 7.786 -18.118 -17.036 1.00 2.57 O ATOM 34 CB ALA A 3 6.096 -16.726 -18.982 1.00 3.07 C ATOM 0 H ALA A 3 9.293 -16.272 -19.868 1.00 2.41 H new ATOM 0 HA ALA A 3 7.641 -15.346 -18.701 1.00 2.40 H new ATOM 0 HB1 ALA A 3 5.513 -16.384 -18.127 1.00 3.07 H new ATOM 0 HB2 ALA A 3 5.765 -16.204 -19.879 1.00 3.07 H new ATOM 0 HB3 ALA A 3 5.952 -17.799 -19.113 1.00 3.07 H new ATOM 40 N GLU A 4 8.835 -16.159 -16.669 1.00 1.84 N ATOM 41 CA GLU A 4 9.340 -16.475 -15.343 1.00 1.96 C ATOM 42 C GLU A 4 8.297 -16.046 -14.298 1.00 1.73 C ATOM 43 O GLU A 4 7.801 -14.922 -14.371 1.00 1.61 O ATOM 44 CB GLU A 4 10.722 -15.828 -15.137 1.00 2.65 C ATOM 45 CG GLU A 4 10.904 -14.440 -15.775 1.00 3.21 C ATOM 46 CD GLU A 4 12.302 -13.902 -15.506 1.00 4.53 C ATOM 47 OE1 GLU A 4 13.254 -14.570 -15.968 1.00 5.12 O ATOM 48 OE2 GLU A 4 12.396 -12.841 -14.855 1.00 5.57 O ATOM 0 H GLU A 4 9.116 -15.235 -16.996 1.00 1.84 H new ATOM 0 HA GLU A 4 9.490 -17.548 -15.227 1.00 1.96 H new ATOM 0 HB2 GLU A 4 10.909 -15.744 -14.066 1.00 2.65 H new ATOM 0 HB3 GLU A 4 11.481 -16.497 -15.542 1.00 2.65 H new ATOM 0 HG2 GLU A 4 10.734 -14.504 -16.850 1.00 3.21 H new ATOM 0 HG3 GLU A 4 10.161 -13.750 -15.375 1.00 3.21 H new ATOM 55 N PRO A 5 7.906 -16.928 -13.362 1.00 1.89 N ATOM 56 CA PRO A 5 6.901 -16.616 -12.358 1.00 1.82 C ATOM 57 C PRO A 5 7.500 -15.729 -11.264 1.00 1.57 C ATOM 58 O PRO A 5 8.714 -15.718 -11.068 1.00 2.05 O ATOM 59 CB PRO A 5 6.463 -17.972 -11.800 1.00 2.29 C ATOM 60 CG PRO A 5 7.736 -18.810 -11.913 1.00 2.56 C ATOM 61 CD PRO A 5 8.371 -18.298 -13.208 1.00 2.36 C ATOM 0 HA PRO A 5 6.057 -16.064 -12.771 1.00 1.82 H new ATOM 0 HB2 PRO A 5 6.120 -17.894 -10.768 1.00 2.29 H new ATOM 0 HB3 PRO A 5 5.643 -18.401 -12.376 1.00 2.29 H new ATOM 0 HG2 PRO A 5 8.393 -18.663 -11.056 1.00 2.56 H new ATOM 0 HG3 PRO A 5 7.514 -19.876 -11.966 1.00 2.56 H new ATOM 0 HD2 PRO A 5 9.459 -18.338 -13.153 1.00 2.36 H new ATOM 0 HD3 PRO A 5 8.072 -18.910 -14.059 1.00 2.36 H new ATOM 69 N LEU A 6 6.639 -15.006 -10.544 1.00 1.21 N ATOM 70 CA LEU A 6 7.001 -14.113 -9.452 1.00 1.13 C ATOM 71 C LEU A 6 6.136 -14.476 -8.239 1.00 1.00 C ATOM 72 O LEU A 6 5.174 -15.233 -8.385 1.00 0.99 O ATOM 73 CB LEU A 6 6.761 -12.667 -9.911 1.00 1.14 C ATOM 74 CG LEU A 6 7.562 -12.257 -11.161 1.00 1.29 C ATOM 75 CD1 LEU A 6 7.077 -10.879 -11.630 1.00 1.51 C ATOM 76 CD2 LEU A 6 9.065 -12.183 -10.866 1.00 1.72 C ATOM 0 H LEU A 6 5.634 -15.031 -10.716 1.00 1.21 H new ATOM 0 HA LEU A 6 8.050 -14.212 -9.173 1.00 1.13 H new ATOM 0 HB2 LEU A 6 5.699 -12.535 -10.115 1.00 1.14 H new ATOM 0 HB3 LEU A 6 7.015 -11.992 -9.094 1.00 1.14 H new ATOM 0 HG LEU A 6 7.403 -13.009 -11.933 1.00 1.29 H new ATOM 0 HD11 LEU A 6 7.637 -10.578 -12.515 1.00 1.51 H new ATOM 0 HD12 LEU A 6 6.016 -10.930 -11.872 1.00 1.51 H new ATOM 0 HD13 LEU A 6 7.233 -10.149 -10.836 1.00 1.51 H new ATOM 0 HD21 LEU A 6 9.599 -11.891 -11.770 1.00 1.72 H new ATOM 0 HD22 LEU A 6 9.246 -11.446 -10.083 1.00 1.72 H new ATOM 0 HD23 LEU A 6 9.419 -13.159 -10.534 1.00 1.72 H new ATOM 88 N THR A 7 6.470 -13.979 -7.043 1.00 1.05 N ATOM 89 CA THR A 7 5.707 -14.276 -5.833 1.00 1.10 C ATOM 90 C THR A 7 4.373 -13.528 -5.854 1.00 0.96 C ATOM 91 O THR A 7 4.127 -12.702 -6.730 1.00 1.07 O ATOM 92 CB THR A 7 6.541 -13.993 -4.568 1.00 1.32 C ATOM 93 OG1 THR A 7 5.921 -14.577 -3.439 1.00 2.13 O ATOM 94 CG2 THR A 7 6.728 -12.506 -4.263 1.00 1.06 C ATOM 0 H THR A 7 7.270 -13.365 -6.890 1.00 1.05 H new ATOM 0 HA THR A 7 5.475 -15.341 -5.807 1.00 1.10 H new ATOM 0 HB THR A 7 7.522 -14.423 -4.771 1.00 1.32 H new ATOM 0 HG1 THR A 7 6.407 -14.318 -2.628 1.00 2.13 H new ATOM 0 HG21 THR A 7 7.325 -12.392 -3.358 1.00 1.06 H new ATOM 0 HG22 THR A 7 7.238 -12.025 -5.097 1.00 1.06 H new ATOM 0 HG23 THR A 7 5.754 -12.040 -4.116 1.00 1.06 H new ATOM 102 N GLU A 8 3.512 -13.784 -4.869 1.00 1.04 N ATOM 103 CA GLU A 8 2.190 -13.179 -4.814 1.00 1.01 C ATOM 104 C GLU A 8 2.332 -11.694 -4.551 1.00 0.82 C ATOM 105 O GLU A 8 1.686 -10.848 -5.168 1.00 0.82 O ATOM 106 CB GLU A 8 1.377 -13.862 -3.715 1.00 1.33 C ATOM 107 CG GLU A 8 0.764 -15.119 -4.331 1.00 1.71 C ATOM 108 CD GLU A 8 0.370 -16.152 -3.283 1.00 2.09 C ATOM 109 OE1 GLU A 8 1.229 -16.440 -2.420 1.00 2.26 O ATOM 110 OE2 GLU A 8 -0.775 -16.643 -3.369 1.00 2.74 O ATOM 0 H GLU A 8 3.714 -14.414 -4.093 1.00 1.04 H new ATOM 0 HA GLU A 8 1.668 -13.309 -5.762 1.00 1.01 H new ATOM 0 HB2 GLU A 8 2.013 -14.118 -2.867 1.00 1.33 H new ATOM 0 HB3 GLU A 8 0.599 -13.197 -3.340 1.00 1.33 H new ATOM 0 HG2 GLU A 8 -0.116 -14.843 -4.912 1.00 1.71 H new ATOM 0 HG3 GLU A 8 1.477 -15.564 -5.025 1.00 1.71 H new ATOM 117 N LEU A 9 3.216 -11.364 -3.618 1.00 0.72 N ATOM 118 CA LEU A 9 3.457 -9.982 -3.306 1.00 0.61 C ATOM 119 C LEU A 9 3.987 -9.246 -4.552 1.00 0.57 C ATOM 120 O LEU A 9 3.517 -8.153 -4.845 1.00 0.58 O ATOM 121 CB LEU A 9 4.343 -9.870 -2.059 1.00 0.63 C ATOM 122 CG LEU A 9 3.605 -10.316 -0.777 1.00 0.79 C ATOM 123 CD1 LEU A 9 3.333 -11.820 -0.646 1.00 2.01 C ATOM 124 CD2 LEU A 9 4.391 -9.831 0.447 1.00 2.16 C ATOM 0 H LEU A 9 3.765 -12.032 -3.077 1.00 0.72 H new ATOM 0 HA LEU A 9 2.528 -9.475 -3.044 1.00 0.61 H new ATOM 0 HB2 LEU A 9 5.236 -10.481 -2.194 1.00 0.63 H new ATOM 0 HB3 LEU A 9 4.677 -8.839 -1.944 1.00 0.63 H new ATOM 0 HG LEU A 9 2.617 -9.860 -0.842 1.00 0.79 H new ATOM 0 HD11 LEU A 9 2.811 -12.015 0.291 1.00 2.01 H new ATOM 0 HD12 LEU A 9 2.716 -12.152 -1.481 1.00 2.01 H new ATOM 0 HD13 LEU A 9 4.278 -12.363 -0.655 1.00 2.01 H new ATOM 0 HD21 LEU A 9 3.877 -10.142 1.356 1.00 2.16 H new ATOM 0 HD22 LEU A 9 5.392 -10.262 0.431 1.00 2.16 H new ATOM 0 HD23 LEU A 9 4.464 -8.744 0.425 1.00 2.16 H new ATOM 136 N GLU A 10 4.894 -9.867 -5.323 1.00 0.63 N ATOM 137 CA GLU A 10 5.411 -9.336 -6.586 1.00 0.62 C ATOM 138 C GLU A 10 4.291 -9.184 -7.628 1.00 0.58 C ATOM 139 O GLU A 10 4.177 -8.129 -8.253 1.00 0.61 O ATOM 140 CB GLU A 10 6.545 -10.217 -7.139 1.00 0.69 C ATOM 141 CG GLU A 10 7.883 -10.022 -6.395 1.00 1.27 C ATOM 142 CD GLU A 10 8.948 -11.096 -6.650 1.00 1.54 C ATOM 143 OE1 GLU A 10 8.545 -12.228 -6.997 1.00 2.52 O ATOM 144 OE2 GLU A 10 10.146 -10.771 -6.462 1.00 2.35 O ATOM 0 H GLU A 10 5.295 -10.772 -5.077 1.00 0.63 H new ATOM 0 HA GLU A 10 5.819 -8.347 -6.379 1.00 0.62 H new ATOM 0 HB2 GLU A 10 6.249 -11.264 -7.072 1.00 0.69 H new ATOM 0 HB3 GLU A 10 6.688 -9.993 -8.196 1.00 0.69 H new ATOM 0 HG2 GLU A 10 8.296 -9.053 -6.676 1.00 1.27 H new ATOM 0 HG3 GLU A 10 7.680 -9.984 -5.325 1.00 1.27 H new ATOM 151 N GLU A 11 3.470 -10.223 -7.834 1.00 0.57 N ATOM 152 CA GLU A 11 2.393 -10.138 -8.812 1.00 0.54 C ATOM 153 C GLU A 11 1.494 -8.960 -8.437 1.00 0.55 C ATOM 154 O GLU A 11 1.267 -8.061 -9.242 1.00 0.63 O ATOM 155 CB GLU A 11 1.653 -11.482 -9.022 1.00 0.69 C ATOM 156 CG GLU A 11 0.424 -11.810 -8.154 1.00 2.02 C ATOM 157 CD GLU A 11 -0.803 -10.912 -8.353 1.00 3.71 C ATOM 158 OE1 GLU A 11 -0.891 -10.246 -9.409 1.00 3.81 O ATOM 159 OE2 GLU A 11 -1.617 -10.861 -7.406 1.00 5.31 O ATOM 0 H GLU A 11 3.534 -11.115 -7.343 1.00 0.57 H new ATOM 0 HA GLU A 11 2.807 -9.941 -9.801 1.00 0.54 H new ATOM 0 HB2 GLU A 11 1.338 -11.523 -10.065 1.00 0.69 H new ATOM 0 HB3 GLU A 11 2.379 -12.282 -8.877 1.00 0.69 H new ATOM 0 HG2 GLU A 11 0.130 -12.841 -8.352 1.00 2.02 H new ATOM 0 HG3 GLU A 11 0.720 -11.758 -7.106 1.00 2.02 H new ATOM 166 N SER A 12 1.030 -8.937 -7.183 1.00 0.55 N ATOM 167 CA SER A 12 0.008 -7.996 -6.755 1.00 0.61 C ATOM 168 C SER A 12 0.497 -6.553 -6.904 1.00 0.55 C ATOM 169 O SER A 12 -0.253 -5.685 -7.354 1.00 0.60 O ATOM 170 CB SER A 12 -0.484 -8.330 -5.344 1.00 0.73 C ATOM 171 OG SER A 12 0.591 -8.407 -4.433 1.00 1.41 O ATOM 0 H SER A 12 1.353 -9.566 -6.448 1.00 0.55 H new ATOM 0 HA SER A 12 -0.858 -8.091 -7.410 1.00 0.61 H new ATOM 0 HB2 SER A 12 -1.191 -7.569 -5.013 1.00 0.73 H new ATOM 0 HB3 SER A 12 -1.021 -9.279 -5.358 1.00 0.73 H new ATOM 0 HG SER A 12 1.054 -9.263 -4.545 1.00 1.41 H new ATOM 177 N ILE A 13 1.761 -6.284 -6.565 1.00 0.49 N ATOM 178 CA ILE A 13 2.308 -4.946 -6.721 1.00 0.49 C ATOM 179 C ILE A 13 2.410 -4.586 -8.206 1.00 0.51 C ATOM 180 O ILE A 13 2.047 -3.471 -8.584 1.00 0.55 O ATOM 181 CB ILE A 13 3.556 -4.720 -5.846 1.00 0.53 C ATOM 182 CG1 ILE A 13 4.701 -5.703 -6.093 1.00 0.57 C ATOM 183 CG2 ILE A 13 3.077 -4.831 -4.391 1.00 0.61 C ATOM 184 CD1 ILE A 13 5.662 -5.219 -7.164 1.00 0.57 C ATOM 0 H ILE A 13 2.413 -6.970 -6.186 1.00 0.49 H new ATOM 0 HA ILE A 13 1.619 -4.205 -6.316 1.00 0.49 H new ATOM 0 HB ILE A 13 3.978 -3.746 -6.092 1.00 0.53 H new ATOM 0 HG12 ILE A 13 5.248 -5.860 -5.163 1.00 0.57 H new ATOM 0 HG13 ILE A 13 4.290 -6.668 -6.388 1.00 0.57 H new ATOM 0 HG21 ILE A 13 3.921 -4.679 -3.718 1.00 0.61 H new ATOM 0 HG22 ILE A 13 2.318 -4.072 -4.199 1.00 0.61 H new ATOM 0 HG23 ILE A 13 2.652 -5.820 -4.222 1.00 0.61 H new ATOM 0 HD11 ILE A 13 6.456 -5.954 -7.300 1.00 0.57 H new ATOM 0 HD12 ILE A 13 5.124 -5.088 -8.103 1.00 0.57 H new ATOM 0 HD13 ILE A 13 6.097 -4.267 -6.859 1.00 0.57 H new ATOM 196 N GLU A 14 2.805 -5.527 -9.074 1.00 0.51 N ATOM 197 CA GLU A 14 2.801 -5.261 -10.507 1.00 0.56 C ATOM 198 C GLU A 14 1.374 -4.944 -10.979 1.00 0.60 C ATOM 199 O GLU A 14 1.142 -3.909 -11.599 1.00 0.65 O ATOM 200 CB GLU A 14 3.436 -6.416 -11.293 1.00 0.60 C ATOM 201 CG GLU A 14 3.852 -5.914 -12.683 1.00 0.61 C ATOM 202 CD GLU A 14 4.368 -7.039 -13.568 1.00 2.18 C ATOM 203 OE1 GLU A 14 5.321 -7.714 -13.124 1.00 3.69 O ATOM 204 OE2 GLU A 14 3.809 -7.190 -14.674 1.00 2.97 O ATOM 0 H GLU A 14 3.124 -6.459 -8.810 1.00 0.51 H new ATOM 0 HA GLU A 14 3.418 -4.384 -10.704 1.00 0.56 H new ATOM 0 HB2 GLU A 14 4.304 -6.802 -10.758 1.00 0.60 H new ATOM 0 HB3 GLU A 14 2.728 -7.239 -11.388 1.00 0.60 H new ATOM 0 HG2 GLU A 14 2.999 -5.436 -13.165 1.00 0.61 H new ATOM 0 HG3 GLU A 14 4.625 -5.153 -12.577 1.00 0.61 H new ATOM 211 N THR A 15 0.413 -5.808 -10.647 1.00 0.61 N ATOM 212 CA THR A 15 -1.015 -5.666 -10.908 1.00 0.59 C ATOM 213 C THR A 15 -1.530 -4.246 -10.596 1.00 0.62 C ATOM 214 O THR A 15 -2.228 -3.625 -11.405 1.00 0.70 O ATOM 215 CB THR A 15 -1.740 -6.786 -10.141 1.00 0.78 C ATOM 216 OG1 THR A 15 -1.461 -8.017 -10.785 1.00 2.12 O ATOM 217 CG2 THR A 15 -3.250 -6.572 -10.045 1.00 1.16 C ATOM 0 H THR A 15 0.627 -6.678 -10.159 1.00 0.61 H new ATOM 0 HA THR A 15 -1.225 -5.781 -11.971 1.00 0.59 H new ATOM 0 HB THR A 15 -1.371 -6.785 -9.115 1.00 0.78 H new ATOM 0 HG1 THR A 15 -1.419 -8.733 -10.117 1.00 2.12 H new ATOM 0 HG21 THR A 15 -3.700 -7.397 -9.493 1.00 1.16 H new ATOM 0 HG22 THR A 15 -3.452 -5.635 -9.527 1.00 1.16 H new ATOM 0 HG23 THR A 15 -3.676 -6.531 -11.047 1.00 1.16 H new ATOM 225 N VAL A 16 -1.183 -3.687 -9.439 1.00 0.59 N ATOM 226 CA VAL A 16 -1.604 -2.323 -9.118 1.00 0.61 C ATOM 227 C VAL A 16 -0.769 -1.281 -9.877 1.00 0.61 C ATOM 228 O VAL A 16 -1.314 -0.259 -10.286 1.00 0.65 O ATOM 229 CB VAL A 16 -1.709 -2.059 -7.607 1.00 0.60 C ATOM 230 CG1 VAL A 16 -2.715 -3.022 -6.961 1.00 0.61 C ATOM 231 CG2 VAL A 16 -0.367 -2.198 -6.900 1.00 0.59 C ATOM 0 H VAL A 16 -0.623 -4.145 -8.720 1.00 0.59 H new ATOM 0 HA VAL A 16 -2.627 -2.213 -9.479 1.00 0.61 H new ATOM 0 HB VAL A 16 -2.049 -1.030 -7.494 1.00 0.60 H new ATOM 0 HG11 VAL A 16 -2.776 -2.821 -5.892 1.00 0.61 H new ATOM 0 HG12 VAL A 16 -3.696 -2.881 -7.414 1.00 0.61 H new ATOM 0 HG13 VAL A 16 -2.388 -4.050 -7.118 1.00 0.61 H new ATOM 0 HG21 VAL A 16 -0.495 -2.002 -5.835 1.00 0.59 H new ATOM 0 HG22 VAL A 16 0.015 -3.209 -7.039 1.00 0.59 H new ATOM 0 HG23 VAL A 16 0.341 -1.482 -7.319 1.00 0.59 H new ATOM 241 N VAL A 17 0.527 -1.518 -10.109 1.00 0.61 N ATOM 242 CA VAL A 17 1.352 -0.623 -10.926 1.00 0.64 C ATOM 243 C VAL A 17 0.797 -0.507 -12.354 1.00 0.64 C ATOM 244 O VAL A 17 0.731 0.589 -12.910 1.00 0.73 O ATOM 245 CB VAL A 17 2.828 -1.063 -10.889 1.00 0.66 C ATOM 246 CG1 VAL A 17 3.680 -0.356 -11.951 1.00 0.69 C ATOM 247 CG2 VAL A 17 3.430 -0.740 -9.516 1.00 0.71 C ATOM 0 H VAL A 17 1.028 -2.326 -9.740 1.00 0.61 H new ATOM 0 HA VAL A 17 1.310 0.380 -10.501 1.00 0.64 H new ATOM 0 HB VAL A 17 2.839 -2.134 -11.089 1.00 0.66 H new ATOM 0 HG11 VAL A 17 4.711 -0.703 -11.880 1.00 0.69 H new ATOM 0 HG12 VAL A 17 3.288 -0.583 -12.942 1.00 0.69 H new ATOM 0 HG13 VAL A 17 3.647 0.721 -11.786 1.00 0.69 H new ATOM 0 HG21 VAL A 17 4.474 -1.053 -9.494 1.00 0.71 H new ATOM 0 HG22 VAL A 17 3.369 0.333 -9.335 1.00 0.71 H new ATOM 0 HG23 VAL A 17 2.876 -1.271 -8.742 1.00 0.71 H new ATOM 257 N THR A 18 0.375 -1.612 -12.970 1.00 0.59 N ATOM 258 CA THR A 18 -0.253 -1.527 -14.282 1.00 0.61 C ATOM 259 C THR A 18 -1.536 -0.687 -14.184 1.00 0.57 C ATOM 260 O THR A 18 -1.673 0.286 -14.928 1.00 0.55 O ATOM 261 CB THR A 18 -0.392 -2.906 -14.952 1.00 0.64 C ATOM 262 OG1 THR A 18 -0.959 -2.762 -16.237 1.00 0.71 O ATOM 263 CG2 THR A 18 -1.202 -3.922 -14.151 1.00 0.62 C ATOM 0 H THR A 18 0.455 -2.555 -12.589 1.00 0.59 H new ATOM 0 HA THR A 18 0.395 -0.992 -14.976 1.00 0.61 H new ATOM 0 HB THR A 18 0.620 -3.305 -15.012 1.00 0.64 H new ATOM 0 HG1 THR A 18 -1.043 -3.643 -16.658 1.00 0.71 H new ATOM 0 HG21 THR A 18 -1.248 -4.864 -14.698 1.00 0.62 H new ATOM 0 HG22 THR A 18 -0.725 -4.087 -13.185 1.00 0.62 H new ATOM 0 HG23 THR A 18 -2.212 -3.542 -13.997 1.00 0.62 H new ATOM 271 N THR A 19 -2.417 -0.973 -13.208 1.00 0.57 N ATOM 272 CA THR A 19 -3.623 -0.186 -12.982 1.00 0.58 C ATOM 273 C THR A 19 -3.279 1.303 -12.848 1.00 0.61 C ATOM 274 O THR A 19 -3.943 2.142 -13.456 1.00 0.61 O ATOM 275 CB THR A 19 -4.394 -0.736 -11.768 1.00 0.61 C ATOM 276 OG1 THR A 19 -4.534 -2.138 -11.896 1.00 0.65 O ATOM 277 CG2 THR A 19 -5.812 -0.151 -11.669 1.00 0.69 C ATOM 0 H THR A 19 -2.306 -1.754 -12.562 1.00 0.57 H new ATOM 0 HA THR A 19 -4.283 -0.274 -13.845 1.00 0.58 H new ATOM 0 HB THR A 19 -3.826 -0.460 -10.880 1.00 0.61 H new ATOM 0 HG1 THR A 19 -3.722 -2.579 -11.570 1.00 0.65 H new ATOM 0 HG21 THR A 19 -6.318 -0.568 -10.798 1.00 0.69 H new ATOM 0 HG22 THR A 19 -5.752 0.933 -11.570 1.00 0.69 H new ATOM 0 HG23 THR A 19 -6.373 -0.403 -12.569 1.00 0.69 H new ATOM 285 N PHE A 20 -2.214 1.623 -12.102 1.00 0.75 N ATOM 286 CA PHE A 20 -1.698 2.979 -11.970 1.00 0.82 C ATOM 287 C PHE A 20 -1.553 3.629 -13.334 1.00 0.76 C ATOM 288 O PHE A 20 -2.144 4.674 -13.591 1.00 0.70 O ATOM 289 CB PHE A 20 -0.403 3.028 -11.149 1.00 1.07 C ATOM 290 CG PHE A 20 0.157 4.421 -10.942 1.00 1.41 C ATOM 291 CD1 PHE A 20 0.948 5.019 -11.944 1.00 2.81 C ATOM 292 CD2 PHE A 20 -0.061 5.097 -9.728 1.00 2.17 C ATOM 293 CE1 PHE A 20 1.503 6.291 -11.735 1.00 3.37 C ATOM 294 CE2 PHE A 20 0.548 6.342 -9.500 1.00 2.99 C ATOM 295 CZ PHE A 20 1.345 6.928 -10.494 1.00 3.11 C ATOM 0 H PHE A 20 -1.684 0.934 -11.569 1.00 0.75 H new ATOM 0 HA PHE A 20 -2.425 3.563 -11.406 1.00 0.82 H new ATOM 0 HB2 PHE A 20 -0.588 2.576 -10.175 1.00 1.07 H new ATOM 0 HB3 PHE A 20 0.351 2.417 -11.646 1.00 1.07 H new ATOM 0 HD1 PHE A 20 1.127 4.498 -12.873 1.00 2.81 H new ATOM 0 HD2 PHE A 20 -0.696 4.659 -8.972 1.00 2.17 H new ATOM 0 HE1 PHE A 20 2.051 6.779 -12.528 1.00 3.37 H new ATOM 0 HE2 PHE A 20 0.402 6.849 -8.558 1.00 2.99 H new ATOM 0 HZ PHE A 20 1.838 7.870 -10.305 1.00 3.11 H new ATOM 305 N PHE A 21 -0.787 3.011 -14.232 1.00 0.93 N ATOM 306 CA PHE A 21 -0.659 3.561 -15.569 1.00 1.28 C ATOM 307 C PHE A 21 -2.016 3.649 -16.268 1.00 1.35 C ATOM 308 O PHE A 21 -2.286 4.662 -16.912 1.00 1.65 O ATOM 309 CB PHE A 21 0.384 2.790 -16.381 1.00 1.60 C ATOM 310 CG PHE A 21 1.804 2.972 -15.867 1.00 1.04 C ATOM 311 CD1 PHE A 21 2.362 4.264 -15.773 1.00 2.08 C ATOM 312 CD2 PHE A 21 2.527 1.870 -15.376 1.00 2.42 C ATOM 313 CE1 PHE A 21 3.626 4.451 -15.191 1.00 2.80 C ATOM 314 CE2 PHE A 21 3.799 2.056 -14.807 1.00 3.39 C ATOM 315 CZ PHE A 21 4.347 3.346 -14.710 1.00 3.19 C ATOM 0 H PHE A 21 -0.262 2.154 -14.061 1.00 0.93 H new ATOM 0 HA PHE A 21 -0.294 4.585 -15.486 1.00 1.28 H new ATOM 0 HB2 PHE A 21 0.133 1.729 -16.367 1.00 1.60 H new ATOM 0 HB3 PHE A 21 0.337 3.115 -17.420 1.00 1.60 H new ATOM 0 HD1 PHE A 21 1.814 5.114 -16.151 1.00 2.08 H new ATOM 0 HD2 PHE A 21 2.104 0.878 -15.436 1.00 2.42 H new ATOM 0 HE1 PHE A 21 4.044 5.444 -15.113 1.00 2.80 H new ATOM 0 HE2 PHE A 21 4.356 1.205 -14.444 1.00 3.39 H new ATOM 0 HZ PHE A 21 5.321 3.488 -14.266 1.00 3.19 H new ATOM 325 N THR A 22 -2.868 2.625 -16.135 1.00 1.25 N ATOM 326 CA THR A 22 -4.203 2.625 -16.721 1.00 1.69 C ATOM 327 C THR A 22 -5.018 3.865 -16.330 1.00 1.62 C ATOM 328 O THR A 22 -5.681 4.437 -17.192 1.00 2.04 O ATOM 329 CB THR A 22 -4.952 1.329 -16.371 1.00 1.98 C ATOM 330 OG1 THR A 22 -4.071 0.228 -16.434 1.00 2.56 O ATOM 331 CG2 THR A 22 -6.113 1.068 -17.334 1.00 2.61 C ATOM 0 H THR A 22 -2.646 1.775 -15.617 1.00 1.25 H new ATOM 0 HA THR A 22 -4.077 2.668 -17.803 1.00 1.69 H new ATOM 0 HB THR A 22 -5.347 1.449 -15.362 1.00 1.98 H new ATOM 0 HG1 THR A 22 -4.556 -0.593 -16.208 1.00 2.56 H new ATOM 0 HG21 THR A 22 -6.617 0.143 -17.054 1.00 2.61 H new ATOM 0 HG22 THR A 22 -6.820 1.896 -17.285 1.00 2.61 H new ATOM 0 HG23 THR A 22 -5.730 0.978 -18.350 1.00 2.61 H new ATOM 339 N PHE A 23 -5.002 4.286 -15.060 1.00 1.24 N ATOM 340 CA PHE A 23 -5.697 5.511 -14.660 1.00 1.22 C ATOM 341 C PHE A 23 -4.893 6.783 -14.949 1.00 1.18 C ATOM 342 O PHE A 23 -5.436 7.767 -15.428 1.00 1.35 O ATOM 343 CB PHE A 23 -6.210 5.440 -13.217 1.00 1.20 C ATOM 344 CG PHE A 23 -5.252 4.974 -12.133 1.00 2.21 C ATOM 345 CD1 PHE A 23 -4.352 5.879 -11.544 1.00 3.98 C ATOM 346 CD2 PHE A 23 -5.452 3.716 -11.537 1.00 3.47 C ATOM 347 CE1 PHE A 23 -3.735 5.567 -10.317 1.00 6.10 C ATOM 348 CE2 PHE A 23 -4.811 3.389 -10.330 1.00 5.45 C ATOM 349 CZ PHE A 23 -3.977 4.328 -9.704 1.00 6.62 C ATOM 0 H PHE A 23 -4.521 3.802 -14.301 1.00 1.24 H new ATOM 0 HA PHE A 23 -6.579 5.581 -15.296 1.00 1.22 H new ATOM 0 HB2 PHE A 23 -6.566 6.433 -12.942 1.00 1.20 H new ATOM 0 HB3 PHE A 23 -7.075 4.776 -13.204 1.00 1.20 H new ATOM 0 HD1 PHE A 23 -4.133 6.816 -12.034 1.00 3.98 H new ATOM 0 HD2 PHE A 23 -6.103 2.996 -12.010 1.00 3.47 H new ATOM 0 HE1 PHE A 23 -3.075 6.282 -9.848 1.00 6.10 H new ATOM 0 HE2 PHE A 23 -4.960 2.416 -9.885 1.00 5.45 H new ATOM 0 HZ PHE A 23 -3.522 4.098 -8.752 1.00 6.62 H new ATOM 359 N ALA A 24 -3.597 6.788 -14.659 1.00 1.06 N ATOM 360 CA ALA A 24 -2.727 7.957 -14.663 1.00 1.12 C ATOM 361 C ALA A 24 -2.604 8.578 -16.051 1.00 1.27 C ATOM 362 O ALA A 24 -2.189 9.738 -16.161 1.00 1.26 O ATOM 363 CB ALA A 24 -1.343 7.574 -14.127 1.00 1.07 C ATOM 0 H ALA A 24 -3.101 5.935 -14.402 1.00 1.06 H new ATOM 0 HA ALA A 24 -3.177 8.708 -14.014 1.00 1.12 H new ATOM 0 HB1 ALA A 24 -0.696 8.451 -14.132 1.00 1.07 H new ATOM 0 HB2 ALA A 24 -1.438 7.199 -13.108 1.00 1.07 H new ATOM 0 HB3 ALA A 24 -0.909 6.799 -14.760 1.00 1.07 H new ATOM 369 N ARG A 25 -2.904 7.801 -17.097 1.00 1.42 N ATOM 370 CA ARG A 25 -2.987 8.286 -18.465 1.00 1.67 C ATOM 371 C ARG A 25 -4.165 9.231 -18.710 1.00 1.71 C ATOM 372 O ARG A 25 -4.161 9.887 -19.748 1.00 1.95 O ATOM 373 CB ARG A 25 -2.940 7.134 -19.485 1.00 1.84 C ATOM 374 CG ARG A 25 -4.002 6.031 -19.346 1.00 2.35 C ATOM 375 CD ARG A 25 -5.458 6.410 -19.651 1.00 3.45 C ATOM 376 NE ARG A 25 -5.614 6.951 -21.009 1.00 2.97 N ATOM 377 CZ ARG A 25 -6.779 7.350 -21.546 1.00 3.65 C ATOM 378 NH1 ARG A 25 -7.882 7.427 -20.797 1.00 4.92 N ATOM 379 NH2 ARG A 25 -6.838 7.655 -22.848 1.00 4.04 N ATOM 0 H ARG A 25 -3.098 6.804 -17.008 1.00 1.42 H new ATOM 0 HA ARG A 25 -2.095 8.893 -18.620 1.00 1.67 H new ATOM 0 HB2 ARG A 25 -3.026 7.563 -20.483 1.00 1.84 H new ATOM 0 HB3 ARG A 25 -1.957 6.667 -19.423 1.00 1.84 H new ATOM 0 HG2 ARG A 25 -3.723 5.209 -20.005 1.00 2.35 H new ATOM 0 HG3 ARG A 25 -3.960 5.649 -18.326 1.00 2.35 H new ATOM 0 HD2 ARG A 25 -6.093 5.532 -19.536 1.00 3.45 H new ATOM 0 HD3 ARG A 25 -5.800 7.148 -18.925 1.00 3.45 H new ATOM 0 HE ARG A 25 -4.776 7.029 -21.586 1.00 2.97 H new ATOM 0 HH11 ARG A 25 -7.845 7.182 -19.808 1.00 4.92 H new ATOM 0 HH12 ARG A 25 -8.762 7.731 -21.214 1.00 4.92 H new ATOM 0 HH21 ARG A 25 -6.001 7.584 -23.427 1.00 4.04 H new ATOM 0 HH22 ARG A 25 -7.720 7.958 -23.261 1.00 4.04 H new ATOM 393 N GLN A 26 -5.191 9.262 -17.843 1.00 1.56 N ATOM 394 CA GLN A 26 -6.404 10.023 -18.124 1.00 1.62 C ATOM 395 C GLN A 26 -6.108 11.470 -18.527 1.00 1.63 C ATOM 396 O GLN A 26 -6.502 11.922 -19.602 1.00 1.88 O ATOM 397 CB GLN A 26 -7.309 10.017 -16.887 1.00 1.52 C ATOM 398 CG GLN A 26 -8.761 9.732 -17.200 1.00 1.71 C ATOM 399 CD GLN A 26 -9.059 8.268 -17.514 1.00 1.89 C ATOM 400 OE1 GLN A 26 -8.267 7.577 -18.155 1.00 1.78 O ATOM 401 NE2 GLN A 26 -10.218 7.778 -17.097 1.00 2.76 N ATOM 0 H GLN A 26 -5.198 8.770 -16.950 1.00 1.56 H new ATOM 0 HA GLN A 26 -6.901 9.543 -18.967 1.00 1.62 H new ATOM 0 HB2 GLN A 26 -6.944 9.268 -16.184 1.00 1.52 H new ATOM 0 HB3 GLN A 26 -7.236 10.984 -16.389 1.00 1.52 H new ATOM 0 HG2 GLN A 26 -9.371 10.041 -16.351 1.00 1.71 H new ATOM 0 HG3 GLN A 26 -9.064 10.343 -18.050 1.00 1.71 H new ATOM 0 HE21 GLN A 26 -10.860 8.368 -16.567 1.00 2.76 H new ATOM 0 HE22 GLN A 26 -10.468 6.811 -17.306 1.00 2.76 H new ATOM 410 N GLU A 27 -5.426 12.180 -17.632 1.00 1.40 N ATOM 411 CA GLU A 27 -5.030 13.568 -17.760 1.00 1.37 C ATOM 412 C GLU A 27 -3.512 13.618 -17.645 1.00 1.29 C ATOM 413 O GLU A 27 -2.891 12.633 -17.230 1.00 1.65 O ATOM 414 CB GLU A 27 -5.640 14.388 -16.615 1.00 1.36 C ATOM 415 CG GLU A 27 -7.169 14.341 -16.539 1.00 1.51 C ATOM 416 CD GLU A 27 -7.623 15.136 -15.322 1.00 1.92 C ATOM 417 OE1 GLU A 27 -7.493 16.376 -15.372 1.00 2.54 O ATOM 418 OE2 GLU A 27 -8.050 14.491 -14.339 1.00 2.53 O ATOM 0 H GLU A 27 -5.120 11.772 -16.749 1.00 1.40 H new ATOM 0 HA GLU A 27 -5.371 13.977 -18.711 1.00 1.37 H new ATOM 0 HB2 GLU A 27 -5.232 14.028 -15.671 1.00 1.36 H new ATOM 0 HB3 GLU A 27 -5.327 15.426 -16.723 1.00 1.36 H new ATOM 0 HG2 GLU A 27 -7.605 14.758 -17.447 1.00 1.51 H new ATOM 0 HG3 GLU A 27 -7.512 13.309 -16.465 1.00 1.51 H new ATOM 425 N GLY A 28 -2.934 14.793 -17.921 1.00 1.51 N ATOM 426 CA GLY A 28 -1.537 15.165 -17.716 1.00 1.65 C ATOM 427 C GLY A 28 -0.681 14.068 -17.080 1.00 1.43 C ATOM 428 O GLY A 28 -0.851 13.760 -15.890 1.00 1.46 O ATOM 0 H GLY A 28 -3.473 15.561 -18.322 1.00 1.51 H new ATOM 0 HA2 GLY A 28 -1.101 15.439 -18.677 1.00 1.65 H new ATOM 0 HA3 GLY A 28 -1.498 16.052 -17.084 1.00 1.65 H new ATOM 432 N ARG A 29 0.186 13.444 -17.889 1.00 1.56 N ATOM 433 CA ARG A 29 1.255 12.576 -17.417 1.00 1.60 C ATOM 434 C ARG A 29 0.780 11.280 -16.742 1.00 1.52 C ATOM 435 O ARG A 29 0.145 11.305 -15.678 1.00 1.37 O ATOM 436 CB ARG A 29 2.337 13.355 -16.651 1.00 1.56 C ATOM 437 CG ARG A 29 3.518 13.682 -17.576 1.00 2.24 C ATOM 438 CD ARG A 29 4.605 14.467 -16.831 1.00 2.21 C ATOM 439 NE ARG A 29 5.797 14.666 -17.675 1.00 3.18 N ATOM 440 CZ ARG A 29 5.906 15.546 -18.685 1.00 3.95 C ATOM 441 NH1 ARG A 29 4.893 16.375 -18.961 1.00 4.18 N ATOM 442 NH2 ARG A 29 7.022 15.587 -19.422 1.00 5.11 N ATOM 0 H ARG A 29 0.157 13.535 -18.905 1.00 1.56 H new ATOM 0 HA ARG A 29 1.751 12.198 -18.311 1.00 1.60 H new ATOM 0 HB2 ARG A 29 1.915 14.277 -16.250 1.00 1.56 H new ATOM 0 HB3 ARG A 29 2.684 12.767 -15.801 1.00 1.56 H new ATOM 0 HG2 ARG A 29 3.940 12.758 -17.972 1.00 2.24 H new ATOM 0 HG3 ARG A 29 3.166 14.263 -18.428 1.00 2.24 H new ATOM 0 HD2 ARG A 29 4.210 15.435 -16.522 1.00 2.21 H new ATOM 0 HD3 ARG A 29 4.885 13.932 -15.923 1.00 2.21 H new ATOM 0 HE ARG A 29 6.611 14.085 -17.475 1.00 3.18 H new ATOM 0 HH11 ARG A 29 4.039 16.339 -18.405 1.00 4.18 H new ATOM 0 HH12 ARG A 29 4.975 17.043 -19.727 1.00 4.18 H new ATOM 0 HH21 ARG A 29 7.792 14.950 -19.218 1.00 5.11 H new ATOM 0 HH22 ARG A 29 7.103 16.255 -20.188 1.00 5.11 H new ATOM 456 N LYS A 30 0.987 10.140 -17.414 1.00 1.74 N ATOM 457 CA LYS A 30 0.932 8.810 -16.804 1.00 1.57 C ATOM 458 C LYS A 30 2.003 8.630 -15.712 1.00 1.33 C ATOM 459 O LYS A 30 2.860 7.755 -15.808 1.00 1.38 O ATOM 460 CB LYS A 30 0.989 7.726 -17.892 1.00 1.89 C ATOM 461 CG LYS A 30 2.259 7.770 -18.766 1.00 2.08 C ATOM 462 CD LYS A 30 3.005 6.427 -18.794 1.00 2.48 C ATOM 463 CE LYS A 30 2.187 5.295 -19.438 1.00 4.42 C ATOM 464 NZ LYS A 30 2.860 3.986 -19.293 1.00 5.47 N ATOM 0 H LYS A 30 1.200 10.118 -18.411 1.00 1.74 H new ATOM 0 HA LYS A 30 -0.023 8.703 -16.289 1.00 1.57 H new ATOM 0 HB2 LYS A 30 0.923 6.747 -17.417 1.00 1.89 H new ATOM 0 HB3 LYS A 30 0.115 7.828 -18.536 1.00 1.89 H new ATOM 0 HG2 LYS A 30 1.986 8.051 -19.783 1.00 2.08 H new ATOM 0 HG3 LYS A 30 2.927 8.545 -18.390 1.00 2.08 H new ATOM 0 HD2 LYS A 30 3.939 6.549 -19.342 1.00 2.48 H new ATOM 0 HD3 LYS A 30 3.268 6.143 -17.775 1.00 2.48 H new ATOM 0 HE2 LYS A 30 1.200 5.251 -18.977 1.00 4.42 H new ATOM 0 HE3 LYS A 30 2.035 5.511 -20.495 1.00 4.42 H new ATOM 0 HZ1 LYS A 30 2.343 3.267 -19.839 1.00 5.47 H new ATOM 0 HZ2 LYS A 30 3.835 4.056 -19.649 1.00 5.47 H new ATOM 0 HZ3 LYS A 30 2.876 3.713 -18.290 1.00 5.47 H new ATOM 478 N ASP A 31 1.934 9.478 -14.683 1.00 1.39 N ATOM 479 CA ASP A 31 2.908 9.640 -13.613 1.00 1.41 C ATOM 480 C ASP A 31 2.218 10.442 -12.507 1.00 1.35 C ATOM 481 O ASP A 31 2.021 9.970 -11.392 1.00 1.57 O ATOM 482 CB ASP A 31 4.146 10.368 -14.164 1.00 1.86 C ATOM 483 CG ASP A 31 5.269 10.473 -13.141 1.00 2.25 C ATOM 484 OD1 ASP A 31 4.992 10.944 -12.019 1.00 3.26 O ATOM 485 OD2 ASP A 31 6.398 10.090 -13.516 1.00 2.89 O ATOM 0 H ASP A 31 1.141 10.110 -14.573 1.00 1.39 H new ATOM 0 HA ASP A 31 3.248 8.684 -13.213 1.00 1.41 H new ATOM 0 HB2 ASP A 31 4.511 9.840 -15.045 1.00 1.86 H new ATOM 0 HB3 ASP A 31 3.860 11.369 -14.488 1.00 1.86 H new ATOM 490 N SER A 32 1.747 11.637 -12.867 1.00 1.25 N ATOM 491 CA SER A 32 1.011 12.535 -12.004 1.00 1.26 C ATOM 492 C SER A 32 -0.470 12.155 -12.021 1.00 1.01 C ATOM 493 O SER A 32 -1.091 12.146 -13.094 1.00 1.11 O ATOM 494 CB SER A 32 1.230 13.952 -12.548 1.00 1.60 C ATOM 495 OG SER A 32 1.166 13.921 -13.966 1.00 2.37 O ATOM 0 H SER A 32 1.878 12.012 -13.807 1.00 1.25 H new ATOM 0 HA SER A 32 1.352 12.476 -10.970 1.00 1.26 H new ATOM 0 HB2 SER A 32 0.472 14.628 -12.152 1.00 1.60 H new ATOM 0 HB3 SER A 32 2.198 14.334 -12.224 1.00 1.60 H new ATOM 0 HG SER A 32 0.229 13.872 -14.250 1.00 2.37 H new ATOM 501 N LEU A 33 -1.036 11.865 -10.846 1.00 0.81 N ATOM 502 CA LEU A 33 -2.474 11.884 -10.591 1.00 0.85 C ATOM 503 C LEU A 33 -2.842 13.288 -10.101 1.00 0.95 C ATOM 504 O LEU A 33 -1.985 13.986 -9.565 1.00 0.97 O ATOM 505 CB LEU A 33 -2.818 10.837 -9.517 1.00 0.92 C ATOM 506 CG LEU A 33 -3.160 9.443 -10.043 1.00 1.00 C ATOM 507 CD1 LEU A 33 -4.517 9.451 -10.751 1.00 2.14 C ATOM 508 CD2 LEU A 33 -2.027 8.909 -10.924 1.00 1.65 C ATOM 0 H LEU A 33 -0.489 11.604 -10.025 1.00 0.81 H new ATOM 0 HA LEU A 33 -3.033 11.645 -11.496 1.00 0.85 H new ATOM 0 HB2 LEU A 33 -1.973 10.751 -8.834 1.00 0.92 H new ATOM 0 HB3 LEU A 33 -3.663 11.204 -8.934 1.00 0.92 H new ATOM 0 HG LEU A 33 -3.253 8.755 -9.203 1.00 1.00 H new ATOM 0 HD11 LEU A 33 -4.742 8.450 -11.118 1.00 2.14 H new ATOM 0 HD12 LEU A 33 -5.291 9.763 -10.050 1.00 2.14 H new ATOM 0 HD13 LEU A 33 -4.486 10.146 -11.590 1.00 2.14 H new ATOM 0 HD21 LEU A 33 -2.288 7.916 -11.290 1.00 1.65 H new ATOM 0 HD22 LEU A 33 -1.877 9.579 -11.770 1.00 1.65 H new ATOM 0 HD23 LEU A 33 -1.108 8.851 -10.340 1.00 1.65 H new ATOM 520 N SER A 34 -4.102 13.705 -10.250 1.00 1.53 N ATOM 521 CA SER A 34 -4.622 14.943 -9.681 1.00 1.87 C ATOM 522 C SER A 34 -6.124 14.782 -9.441 1.00 1.55 C ATOM 523 O SER A 34 -6.659 13.711 -9.712 1.00 1.25 O ATOM 524 CB SER A 34 -4.299 16.162 -10.550 1.00 2.43 C ATOM 525 OG SER A 34 -4.551 17.335 -9.795 1.00 3.67 O ATOM 0 H SER A 34 -4.798 13.180 -10.779 1.00 1.53 H new ATOM 0 HA SER A 34 -4.128 15.131 -8.728 1.00 1.87 H new ATOM 0 HB2 SER A 34 -3.257 16.134 -10.869 1.00 2.43 H new ATOM 0 HB3 SER A 34 -4.909 16.155 -11.453 1.00 2.43 H new ATOM 0 HG SER A 34 -3.773 17.537 -9.235 1.00 3.67 H new ATOM 531 N VAL A 35 -6.771 15.811 -8.878 1.00 1.74 N ATOM 532 CA VAL A 35 -8.138 15.771 -8.352 1.00 1.61 C ATOM 533 C VAL A 35 -9.092 14.957 -9.230 1.00 1.43 C ATOM 534 O VAL A 35 -9.609 13.942 -8.772 1.00 1.26 O ATOM 535 CB VAL A 35 -8.725 17.177 -8.078 1.00 1.68 C ATOM 536 CG1 VAL A 35 -8.687 17.546 -6.589 1.00 2.98 C ATOM 537 CG2 VAL A 35 -8.069 18.291 -8.898 1.00 1.88 C ATOM 0 H VAL A 35 -6.338 16.729 -8.773 1.00 1.74 H new ATOM 0 HA VAL A 35 -8.050 15.259 -7.394 1.00 1.61 H new ATOM 0 HB VAL A 35 -9.764 17.102 -8.400 1.00 1.68 H new ATOM 0 HG11 VAL A 35 -9.110 18.541 -6.450 1.00 2.98 H new ATOM 0 HG12 VAL A 35 -9.269 16.821 -6.020 1.00 2.98 H new ATOM 0 HG13 VAL A 35 -7.655 17.538 -6.238 1.00 2.98 H new ATOM 0 HG21 VAL A 35 -8.533 19.246 -8.651 1.00 1.88 H new ATOM 0 HG22 VAL A 35 -7.005 18.334 -8.667 1.00 1.88 H new ATOM 0 HG23 VAL A 35 -8.201 18.087 -9.961 1.00 1.88 H new ATOM 547 N ASN A 36 -9.348 15.401 -10.465 1.00 1.54 N ATOM 548 CA ASN A 36 -10.315 14.735 -11.333 1.00 1.48 C ATOM 549 C ASN A 36 -9.891 13.288 -11.593 1.00 1.36 C ATOM 550 O ASN A 36 -10.609 12.375 -11.200 1.00 1.32 O ATOM 551 CB ASN A 36 -10.552 15.530 -12.620 1.00 1.64 C ATOM 552 CG ASN A 36 -11.368 14.687 -13.598 1.00 1.52 C ATOM 553 OD1 ASN A 36 -12.594 14.680 -13.532 1.00 2.10 O ATOM 554 ND2 ASN A 36 -10.688 13.939 -14.456 1.00 1.64 N ATOM 0 H ASN A 36 -8.899 16.216 -10.882 1.00 1.54 H new ATOM 0 HA ASN A 36 -11.277 14.699 -10.823 1.00 1.48 H new ATOM 0 HB2 ASN A 36 -11.079 16.457 -12.395 1.00 1.64 H new ATOM 0 HB3 ASN A 36 -9.598 15.807 -13.070 1.00 1.64 H new ATOM 0 HD21 ASN A 36 -11.184 13.323 -15.100 1.00 1.64 H new ATOM 0 HD22 ASN A 36 -9.669 13.980 -14.472 1.00 1.64 H new ATOM 561 N GLU A 37 -8.712 13.084 -12.187 1.00 1.32 N ATOM 562 CA GLU A 37 -8.098 11.783 -12.432 1.00 1.24 C ATOM 563 C GLU A 37 -8.315 10.811 -11.271 1.00 1.06 C ATOM 564 O GLU A 37 -8.758 9.675 -11.434 1.00 1.09 O ATOM 565 CB GLU A 37 -6.585 12.010 -12.651 1.00 1.27 C ATOM 566 CG GLU A 37 -6.194 11.466 -14.017 1.00 1.09 C ATOM 567 CD GLU A 37 -4.732 11.624 -14.371 1.00 1.01 C ATOM 568 OE1 GLU A 37 -3.921 12.301 -13.709 1.00 1.84 O ATOM 569 OE2 GLU A 37 -4.301 11.086 -15.405 1.00 1.76 O ATOM 0 H GLU A 37 -8.137 13.857 -12.523 1.00 1.32 H new ATOM 0 HA GLU A 37 -8.563 11.333 -13.309 1.00 1.24 H new ATOM 0 HB2 GLU A 37 -6.351 13.073 -12.588 1.00 1.27 H new ATOM 0 HB3 GLU A 37 -6.013 11.511 -11.869 1.00 1.27 H new ATOM 0 HG2 GLU A 37 -6.450 10.407 -14.057 1.00 1.09 H new ATOM 0 HG3 GLU A 37 -6.793 11.968 -14.777 1.00 1.09 H new ATOM 576 N PHE A 38 -7.965 11.280 -10.079 1.00 0.95 N ATOM 577 CA PHE A 38 -8.070 10.535 -8.845 1.00 0.83 C ATOM 578 C PHE A 38 -9.549 10.243 -8.571 1.00 0.89 C ATOM 579 O PHE A 38 -9.920 9.084 -8.382 1.00 0.85 O ATOM 580 CB PHE A 38 -7.372 11.372 -7.767 1.00 0.79 C ATOM 581 CG PHE A 38 -6.997 10.731 -6.446 1.00 0.87 C ATOM 582 CD1 PHE A 38 -7.451 9.456 -6.056 1.00 2.06 C ATOM 583 CD2 PHE A 38 -6.161 11.464 -5.587 1.00 2.17 C ATOM 584 CE1 PHE A 38 -7.151 8.974 -4.769 1.00 2.30 C ATOM 585 CE2 PHE A 38 -5.851 10.977 -4.310 1.00 2.59 C ATOM 586 CZ PHE A 38 -6.375 9.746 -3.889 1.00 1.93 C ATOM 0 H PHE A 38 -7.589 12.219 -9.948 1.00 0.95 H new ATOM 0 HA PHE A 38 -7.581 9.561 -8.877 1.00 0.83 H new ATOM 0 HB2 PHE A 38 -6.458 11.772 -8.206 1.00 0.79 H new ATOM 0 HB3 PHE A 38 -8.018 12.222 -7.545 1.00 0.79 H new ATOM 0 HD1 PHE A 38 -8.026 8.852 -6.742 1.00 2.06 H new ATOM 0 HD2 PHE A 38 -5.754 12.410 -5.913 1.00 2.17 H new ATOM 0 HE1 PHE A 38 -7.518 8.008 -4.457 1.00 2.30 H new ATOM 0 HE2 PHE A 38 -5.211 11.547 -3.653 1.00 2.59 H new ATOM 0 HZ PHE A 38 -6.182 9.391 -2.887 1.00 1.93 H new ATOM 596 N LYS A 39 -10.408 11.269 -8.600 1.00 1.01 N ATOM 597 CA LYS A 39 -11.840 11.107 -8.397 1.00 1.06 C ATOM 598 C LYS A 39 -12.414 10.042 -9.333 1.00 1.06 C ATOM 599 O LYS A 39 -13.165 9.184 -8.874 1.00 1.04 O ATOM 600 CB LYS A 39 -12.609 12.435 -8.444 1.00 1.20 C ATOM 601 CG LYS A 39 -13.983 12.269 -7.759 1.00 1.36 C ATOM 602 CD LYS A 39 -14.725 13.608 -7.560 1.00 1.50 C ATOM 603 CE LYS A 39 -14.090 14.432 -6.427 1.00 2.43 C ATOM 604 NZ LYS A 39 -14.838 15.642 -6.037 1.00 3.58 N ATOM 0 H LYS A 39 -10.122 12.234 -8.766 1.00 1.01 H new ATOM 0 HA LYS A 39 -11.980 10.743 -7.379 1.00 1.06 H new ATOM 0 HB2 LYS A 39 -12.035 13.216 -7.944 1.00 1.20 H new ATOM 0 HB3 LYS A 39 -12.744 12.751 -9.478 1.00 1.20 H new ATOM 0 HG2 LYS A 39 -14.603 11.602 -8.358 1.00 1.36 H new ATOM 0 HG3 LYS A 39 -13.844 11.790 -6.790 1.00 1.36 H new ATOM 0 HD2 LYS A 39 -14.702 14.181 -8.487 1.00 1.50 H new ATOM 0 HD3 LYS A 39 -15.773 13.416 -7.330 1.00 1.50 H new ATOM 0 HE2 LYS A 39 -13.982 13.793 -5.551 1.00 2.43 H new ATOM 0 HE3 LYS A 39 -13.086 14.727 -6.732 1.00 2.43 H new ATOM 0 HZ1 LYS A 39 -14.257 16.217 -5.394 1.00 3.58 H new ATOM 0 HZ2 LYS A 39 -15.068 16.197 -6.886 1.00 3.58 H new ATOM 0 HZ3 LYS A 39 -15.717 15.366 -5.555 1.00 3.58 H new ATOM 618 N GLU A 40 -12.046 10.053 -10.617 1.00 1.13 N ATOM 619 CA GLU A 40 -12.466 9.021 -11.553 1.00 1.17 C ATOM 620 C GLU A 40 -12.111 7.623 -11.041 1.00 1.01 C ATOM 621 O GLU A 40 -12.920 6.710 -11.172 1.00 1.04 O ATOM 622 CB GLU A 40 -11.862 9.232 -12.947 1.00 1.29 C ATOM 623 CG GLU A 40 -12.400 10.482 -13.658 1.00 1.51 C ATOM 624 CD GLU A 40 -11.902 10.565 -15.098 1.00 1.70 C ATOM 625 OE1 GLU A 40 -11.762 9.486 -15.719 1.00 2.22 O ATOM 626 OE2 GLU A 40 -11.661 11.700 -15.560 1.00 2.23 O ATOM 0 H GLU A 40 -11.453 10.774 -11.029 1.00 1.13 H new ATOM 0 HA GLU A 40 -13.550 9.100 -11.635 1.00 1.17 H new ATOM 0 HB2 GLU A 40 -10.779 9.311 -12.858 1.00 1.29 H new ATOM 0 HB3 GLU A 40 -12.068 8.356 -13.561 1.00 1.29 H new ATOM 0 HG2 GLU A 40 -13.490 10.466 -13.649 1.00 1.51 H new ATOM 0 HG3 GLU A 40 -12.090 11.374 -13.113 1.00 1.51 H new ATOM 633 N LEU A 41 -10.922 7.430 -10.459 1.00 0.87 N ATOM 634 CA LEU A 41 -10.502 6.104 -10.023 1.00 0.80 C ATOM 635 C LEU A 41 -11.431 5.641 -8.913 1.00 0.71 C ATOM 636 O LEU A 41 -11.964 4.535 -8.960 1.00 0.72 O ATOM 637 CB LEU A 41 -9.046 6.123 -9.535 1.00 0.80 C ATOM 638 CG LEU A 41 -8.470 4.738 -9.174 1.00 0.90 C ATOM 639 CD1 LEU A 41 -8.455 3.804 -10.381 1.00 2.61 C ATOM 640 CD2 LEU A 41 -7.070 4.958 -8.596 1.00 1.88 C ATOM 0 H LEU A 41 -10.243 8.171 -10.283 1.00 0.87 H new ATOM 0 HA LEU A 41 -10.557 5.412 -10.863 1.00 0.80 H new ATOM 0 HB2 LEU A 41 -8.423 6.570 -10.310 1.00 0.80 H new ATOM 0 HB3 LEU A 41 -8.979 6.769 -8.660 1.00 0.80 H new ATOM 0 HG LEU A 41 -9.101 4.246 -8.433 1.00 0.90 H new ATOM 0 HD11 LEU A 41 -8.043 2.838 -10.089 1.00 2.61 H new ATOM 0 HD12 LEU A 41 -9.472 3.668 -10.749 1.00 2.61 H new ATOM 0 HD13 LEU A 41 -7.839 4.238 -11.169 1.00 2.61 H new ATOM 0 HD21 LEU A 41 -6.631 3.997 -8.329 1.00 1.88 H new ATOM 0 HD22 LEU A 41 -6.442 5.449 -9.340 1.00 1.88 H new ATOM 0 HD23 LEU A 41 -7.138 5.585 -7.707 1.00 1.88 H new ATOM 652 N VAL A 42 -11.633 6.504 -7.916 1.00 0.71 N ATOM 653 CA VAL A 42 -12.407 6.130 -6.747 1.00 0.79 C ATOM 654 C VAL A 42 -13.852 5.891 -7.178 1.00 0.90 C ATOM 655 O VAL A 42 -14.403 4.816 -6.959 1.00 1.00 O ATOM 656 CB VAL A 42 -12.233 7.145 -5.597 1.00 0.87 C ATOM 657 CG1 VAL A 42 -10.865 6.963 -4.923 1.00 0.88 C ATOM 658 CG2 VAL A 42 -12.361 8.618 -5.954 1.00 1.00 C ATOM 0 H VAL A 42 -11.272 7.458 -7.900 1.00 0.71 H new ATOM 0 HA VAL A 42 -12.037 5.196 -6.325 1.00 0.79 H new ATOM 0 HB VAL A 42 -13.073 6.912 -4.942 1.00 0.87 H new ATOM 0 HG11 VAL A 42 -10.759 7.686 -4.115 1.00 0.88 H new ATOM 0 HG12 VAL A 42 -10.790 5.953 -4.519 1.00 0.88 H new ATOM 0 HG13 VAL A 42 -10.074 7.120 -5.657 1.00 0.88 H new ATOM 0 HG21 VAL A 42 -12.218 9.223 -5.059 1.00 1.00 H new ATOM 0 HG22 VAL A 42 -11.605 8.880 -6.694 1.00 1.00 H new ATOM 0 HG23 VAL A 42 -13.352 8.808 -6.366 1.00 1.00 H new ATOM 668 N THR A 43 -14.429 6.875 -7.863 1.00 1.08 N ATOM 669 CA THR A 43 -15.783 6.840 -8.389 1.00 1.28 C ATOM 670 C THR A 43 -16.028 5.582 -9.224 1.00 1.25 C ATOM 671 O THR A 43 -17.008 4.873 -9.006 1.00 1.40 O ATOM 672 CB THR A 43 -15.990 8.116 -9.214 1.00 1.44 C ATOM 673 OG1 THR A 43 -15.820 9.239 -8.376 1.00 1.50 O ATOM 674 CG2 THR A 43 -17.381 8.197 -9.849 1.00 1.68 C ATOM 0 H THR A 43 -13.946 7.748 -8.072 1.00 1.08 H new ATOM 0 HA THR A 43 -16.504 6.802 -7.572 1.00 1.28 H new ATOM 0 HB THR A 43 -15.256 8.098 -10.020 1.00 1.44 H new ATOM 0 HG1 THR A 43 -14.872 9.485 -8.347 1.00 1.50 H new ATOM 0 HG21 THR A 43 -17.467 9.122 -10.420 1.00 1.68 H new ATOM 0 HG22 THR A 43 -17.528 7.345 -10.513 1.00 1.68 H new ATOM 0 HG23 THR A 43 -18.140 8.182 -9.066 1.00 1.68 H new ATOM 682 N GLN A 44 -15.168 5.328 -10.212 1.00 1.16 N ATOM 683 CA GLN A 44 -15.389 4.273 -11.184 1.00 1.27 C ATOM 684 C GLN A 44 -15.100 2.907 -10.559 1.00 1.08 C ATOM 685 O GLN A 44 -15.936 2.008 -10.631 1.00 1.14 O ATOM 686 CB GLN A 44 -14.517 4.541 -12.416 1.00 1.47 C ATOM 687 CG GLN A 44 -14.938 3.716 -13.640 1.00 1.91 C ATOM 688 CD GLN A 44 -13.909 3.757 -14.771 1.00 2.15 C ATOM 689 OE1 GLN A 44 -13.993 2.982 -15.718 1.00 2.70 O ATOM 690 NE2 GLN A 44 -12.927 4.657 -14.707 1.00 2.29 N ATOM 0 H GLN A 44 -14.303 5.850 -10.355 1.00 1.16 H new ATOM 0 HA GLN A 44 -16.432 4.263 -11.499 1.00 1.27 H new ATOM 0 HB2 GLN A 44 -14.566 5.601 -12.665 1.00 1.47 H new ATOM 0 HB3 GLN A 44 -13.478 4.318 -12.174 1.00 1.47 H new ATOM 0 HG2 GLN A 44 -15.096 2.681 -13.337 1.00 1.91 H new ATOM 0 HG3 GLN A 44 -15.893 4.088 -14.011 1.00 1.91 H new ATOM 0 HE21 GLN A 44 -12.871 5.295 -13.913 1.00 2.29 H new ATOM 0 HE22 GLN A 44 -12.232 4.708 -15.452 1.00 2.29 H new ATOM 699 N GLN A 45 -13.911 2.733 -9.971 1.00 0.99 N ATOM 700 CA GLN A 45 -13.455 1.418 -9.544 1.00 1.08 C ATOM 701 C GLN A 45 -13.963 1.048 -8.148 1.00 1.21 C ATOM 702 O GLN A 45 -14.181 -0.139 -7.915 1.00 2.38 O ATOM 703 CB GLN A 45 -11.925 1.289 -9.658 1.00 1.52 C ATOM 704 CG GLN A 45 -11.461 0.830 -11.051 1.00 1.99 C ATOM 705 CD GLN A 45 -11.999 1.684 -12.197 1.00 3.33 C ATOM 706 OE1 GLN A 45 -13.057 1.397 -12.741 1.00 4.20 O ATOM 707 NE2 GLN A 45 -11.277 2.726 -12.601 1.00 4.64 N ATOM 0 H GLN A 45 -13.253 3.489 -9.783 1.00 0.99 H new ATOM 0 HA GLN A 45 -13.893 0.692 -10.228 1.00 1.08 H new ATOM 0 HB2 GLN A 45 -11.467 2.251 -9.428 1.00 1.52 H new ATOM 0 HB3 GLN A 45 -11.569 0.579 -8.911 1.00 1.52 H new ATOM 0 HG2 GLN A 45 -10.372 0.843 -11.082 1.00 1.99 H new ATOM 0 HG3 GLN A 45 -11.772 -0.203 -11.204 1.00 1.99 H new ATOM 0 HE21 GLN A 45 -10.398 2.949 -12.134 1.00 4.64 H new ATOM 0 HE22 GLN A 45 -11.603 3.302 -13.377 1.00 4.64 H new ATOM 716 N LEU A 46 -14.124 1.995 -7.212 1.00 0.99 N ATOM 717 CA LEU A 46 -14.439 1.678 -5.818 1.00 0.99 C ATOM 718 C LEU A 46 -15.922 1.932 -5.500 1.00 1.17 C ATOM 719 O LEU A 46 -16.288 3.065 -5.194 1.00 1.58 O ATOM 720 CB LEU A 46 -13.527 2.458 -4.858 1.00 0.99 C ATOM 721 CG LEU A 46 -12.022 2.308 -5.140 1.00 1.14 C ATOM 722 CD1 LEU A 46 -11.254 3.011 -4.020 1.00 2.01 C ATOM 723 CD2 LEU A 46 -11.552 0.851 -5.216 1.00 2.87 C ATOM 0 H LEU A 46 -14.040 2.994 -7.401 1.00 0.99 H new ATOM 0 HA LEU A 46 -14.253 0.614 -5.673 1.00 0.99 H new ATOM 0 HB2 LEU A 46 -13.789 3.515 -4.907 1.00 0.99 H new ATOM 0 HB3 LEU A 46 -13.727 2.127 -3.839 1.00 0.99 H new ATOM 0 HG LEU A 46 -11.831 2.752 -6.117 1.00 1.14 H new ATOM 0 HD11 LEU A 46 -10.183 2.918 -4.199 1.00 2.01 H new ATOM 0 HD12 LEU A 46 -11.528 4.066 -3.998 1.00 2.01 H new ATOM 0 HD13 LEU A 46 -11.503 2.551 -3.064 1.00 2.01 H new ATOM 0 HD21 LEU A 46 -10.481 0.824 -5.417 1.00 2.87 H new ATOM 0 HD22 LEU A 46 -11.756 0.353 -4.268 1.00 2.87 H new ATOM 0 HD23 LEU A 46 -12.085 0.338 -6.017 1.00 2.87 H new ATOM 735 N PRO A 47 -16.794 0.908 -5.506 1.00 1.04 N ATOM 736 CA PRO A 47 -18.214 1.105 -5.253 1.00 1.21 C ATOM 737 C PRO A 47 -18.492 1.442 -3.784 1.00 1.35 C ATOM 738 O PRO A 47 -19.395 2.227 -3.496 1.00 1.81 O ATOM 739 CB PRO A 47 -18.890 -0.206 -5.669 1.00 1.26 C ATOM 740 CG PRO A 47 -17.801 -1.256 -5.460 1.00 1.21 C ATOM 741 CD PRO A 47 -16.526 -0.491 -5.813 1.00 1.04 C ATOM 0 HA PRO A 47 -18.602 1.953 -5.818 1.00 1.21 H new ATOM 0 HB2 PRO A 47 -19.769 -0.414 -5.060 1.00 1.26 H new ATOM 0 HB3 PRO A 47 -19.222 -0.174 -6.707 1.00 1.26 H new ATOM 0 HG2 PRO A 47 -17.783 -1.622 -4.433 1.00 1.21 H new ATOM 0 HG3 PRO A 47 -17.945 -2.123 -6.105 1.00 1.21 H new ATOM 0 HD2 PRO A 47 -15.678 -0.861 -5.237 1.00 1.04 H new ATOM 0 HD3 PRO A 47 -16.275 -0.617 -6.866 1.00 1.04 H new ATOM 749 N HIS A 48 -17.781 0.799 -2.851 1.00 1.25 N ATOM 750 CA HIS A 48 -18.073 0.876 -1.417 1.00 1.46 C ATOM 751 C HIS A 48 -16.830 0.921 -0.516 1.00 1.28 C ATOM 752 O HIS A 48 -16.967 1.193 0.676 1.00 1.82 O ATOM 753 CB HIS A 48 -18.994 -0.296 -1.028 1.00 1.78 C ATOM 754 CG HIS A 48 -20.448 0.106 -0.927 1.00 2.64 C ATOM 755 ND1 HIS A 48 -21.132 0.895 -1.824 1.00 4.23 N ATOM 756 CD2 HIS A 48 -21.243 -0.039 0.179 1.00 2.82 C ATOM 757 CE1 HIS A 48 -22.316 1.210 -1.274 1.00 4.89 C ATOM 758 NE2 HIS A 48 -22.412 0.708 -0.028 1.00 3.92 N ATOM 0 H HIS A 48 -16.981 0.206 -3.073 1.00 1.25 H new ATOM 0 HA HIS A 48 -18.573 1.830 -1.247 1.00 1.46 H new ATOM 0 HB2 HIS A 48 -18.893 -1.091 -1.766 1.00 1.78 H new ATOM 0 HB3 HIS A 48 -18.668 -0.705 -0.072 1.00 1.78 H new ATOM 0 HD1 HIS A 48 -20.799 1.188 -2.742 1.00 4.23 H new ATOM 0 HD2 HIS A 48 -21.011 -0.625 1.056 1.00 2.82 H new ATOM 0 HE1 HIS A 48 -23.086 1.787 -1.764 1.00 4.89 H new ATOM 766 N LEU A 49 -15.635 0.641 -1.045 1.00 0.98 N ATOM 767 CA LEU A 49 -14.432 0.479 -0.237 1.00 0.93 C ATOM 768 C LEU A 49 -14.041 1.804 0.425 1.00 1.03 C ATOM 769 O LEU A 49 -14.151 1.951 1.643 1.00 1.30 O ATOM 770 CB LEU A 49 -13.321 -0.077 -1.130 1.00 1.06 C ATOM 771 CG LEU A 49 -12.041 -0.415 -0.356 1.00 1.00 C ATOM 772 CD1 LEU A 49 -12.205 -1.654 0.528 1.00 0.89 C ATOM 773 CD2 LEU A 49 -10.970 -0.703 -1.399 1.00 1.33 C ATOM 0 H LEU A 49 -15.479 0.521 -2.046 1.00 0.98 H new ATOM 0 HA LEU A 49 -14.612 -0.226 0.575 1.00 0.93 H new ATOM 0 HB2 LEU A 49 -13.682 -0.974 -1.633 1.00 1.06 H new ATOM 0 HB3 LEU A 49 -13.088 0.652 -1.906 1.00 1.06 H new ATOM 0 HG LEU A 49 -11.786 0.418 0.299 1.00 1.00 H new ATOM 0 HD11 LEU A 49 -11.271 -1.851 1.055 1.00 0.89 H new ATOM 0 HD12 LEU A 49 -13.001 -1.481 1.252 1.00 0.89 H new ATOM 0 HD13 LEU A 49 -12.460 -2.513 -0.093 1.00 0.89 H new ATOM 0 HD21 LEU A 49 -10.033 -0.951 -0.900 1.00 1.33 H new ATOM 0 HD22 LEU A 49 -11.283 -1.542 -2.020 1.00 1.33 H new ATOM 0 HD23 LEU A 49 -10.826 0.177 -2.025 1.00 1.33 H new ATOM 785 N LEU A 50 -13.600 2.771 -0.382 1.00 1.06 N ATOM 786 CA LEU A 50 -13.516 4.167 0.011 1.00 1.19 C ATOM 787 C LEU A 50 -14.822 4.811 -0.425 1.00 1.34 C ATOM 788 O LEU A 50 -14.997 5.128 -1.600 1.00 2.31 O ATOM 789 CB LEU A 50 -12.329 4.854 -0.671 1.00 1.25 C ATOM 790 CG LEU A 50 -10.987 4.505 -0.014 1.00 1.22 C ATOM 791 CD1 LEU A 50 -9.847 4.912 -0.950 1.00 1.39 C ATOM 792 CD2 LEU A 50 -10.810 5.248 1.317 1.00 1.28 C ATOM 0 H LEU A 50 -13.289 2.598 -1.338 1.00 1.06 H new ATOM 0 HA LEU A 50 -13.364 4.262 1.086 1.00 1.19 H new ATOM 0 HB2 LEU A 50 -12.301 4.564 -1.721 1.00 1.25 H new ATOM 0 HB3 LEU A 50 -12.473 5.934 -0.642 1.00 1.25 H new ATOM 0 HG LEU A 50 -10.971 3.432 0.175 1.00 1.22 H new ATOM 0 HD11 LEU A 50 -8.891 4.666 -0.488 1.00 1.39 H new ATOM 0 HD12 LEU A 50 -9.942 4.375 -1.894 1.00 1.39 H new ATOM 0 HD13 LEU A 50 -9.895 5.985 -1.136 1.00 1.39 H new ATOM 0 HD21 LEU A 50 -9.850 4.980 1.758 1.00 1.28 H new ATOM 0 HD22 LEU A 50 -10.841 6.323 1.140 1.00 1.28 H new ATOM 0 HD23 LEU A 50 -11.613 4.969 1.999 1.00 1.28 H new ATOM 804 N LYS A 51 -15.744 4.989 0.519 1.00 1.27 N ATOM 805 CA LYS A 51 -16.875 5.866 0.279 1.00 1.48 C ATOM 806 C LYS A 51 -16.407 7.309 0.212 1.00 1.73 C ATOM 807 O LYS A 51 -15.241 7.610 0.459 1.00 2.74 O ATOM 808 CB LYS A 51 -17.935 5.710 1.373 1.00 1.89 C ATOM 809 CG LYS A 51 -18.556 4.324 1.259 1.00 1.97 C ATOM 810 CD LYS A 51 -19.994 4.314 1.788 1.00 2.97 C ATOM 811 CE LYS A 51 -20.625 2.983 1.344 1.00 4.16 C ATOM 812 NZ LYS A 51 -22.060 2.852 1.666 1.00 5.49 N ATOM 0 H LYS A 51 -15.728 4.545 1.437 1.00 1.27 H new ATOM 0 HA LYS A 51 -17.326 5.588 -0.674 1.00 1.48 H new ATOM 0 HB2 LYS A 51 -17.485 5.842 2.357 1.00 1.89 H new ATOM 0 HB3 LYS A 51 -18.702 6.477 1.268 1.00 1.89 H new ATOM 0 HG2 LYS A 51 -18.547 4.004 0.217 1.00 1.97 H new ATOM 0 HG3 LYS A 51 -17.955 3.607 1.818 1.00 1.97 H new ATOM 0 HD2 LYS A 51 -20.006 4.404 2.874 1.00 2.97 H new ATOM 0 HD3 LYS A 51 -20.557 5.159 1.392 1.00 2.97 H new ATOM 0 HE2 LYS A 51 -20.495 2.874 0.267 1.00 4.16 H new ATOM 0 HE3 LYS A 51 -20.083 2.163 1.815 1.00 4.16 H new ATOM 0 HZ1 LYS A 51 -22.451 2.022 1.177 1.00 5.49 H new ATOM 0 HZ2 LYS A 51 -22.176 2.735 2.693 1.00 5.49 H new ATOM 0 HZ3 LYS A 51 -22.565 3.707 1.356 1.00 5.49 H new ATOM 826 N ASP A 52 -17.358 8.185 -0.110 1.00 1.55 N ATOM 827 CA ASP A 52 -17.137 9.612 -0.186 1.00 1.73 C ATOM 828 C ASP A 52 -16.054 9.892 -1.227 1.00 1.68 C ATOM 829 O ASP A 52 -15.084 10.624 -1.045 1.00 1.93 O ATOM 830 CB ASP A 52 -16.896 10.178 1.210 1.00 1.97 C ATOM 831 CG ASP A 52 -16.619 11.678 1.130 1.00 3.13 C ATOM 832 OD1 ASP A 52 -17.135 12.304 0.174 1.00 4.13 O ATOM 833 OD2 ASP A 52 -15.869 12.165 2.005 1.00 4.05 O ATOM 0 H ASP A 52 -18.316 7.910 -0.327 1.00 1.55 H new ATOM 0 HA ASP A 52 -18.019 10.146 -0.540 1.00 1.73 H new ATOM 0 HB2 ASP A 52 -17.766 9.995 1.840 1.00 1.97 H new ATOM 0 HB3 ASP A 52 -16.052 9.669 1.676 1.00 1.97 H new ATOM 838 N VAL A 53 -16.297 9.283 -2.387 1.00 1.53 N ATOM 839 CA VAL A 53 -15.675 9.665 -3.635 1.00 1.48 C ATOM 840 C VAL A 53 -16.013 11.137 -3.915 1.00 1.56 C ATOM 841 O VAL A 53 -15.178 11.890 -4.413 1.00 1.93 O ATOM 842 CB VAL A 53 -16.133 8.694 -4.741 1.00 1.38 C ATOM 843 CG1 VAL A 53 -15.935 7.236 -4.298 1.00 1.99 C ATOM 844 CG2 VAL A 53 -17.596 8.883 -5.169 1.00 1.73 C ATOM 0 H VAL A 53 -16.943 8.499 -2.478 1.00 1.53 H new ATOM 0 HA VAL A 53 -14.588 9.591 -3.593 1.00 1.48 H new ATOM 0 HB VAL A 53 -15.508 8.926 -5.604 1.00 1.38 H new ATOM 0 HG11 VAL A 53 -16.264 6.566 -5.093 1.00 1.99 H new ATOM 0 HG12 VAL A 53 -14.880 7.059 -4.089 1.00 1.99 H new ATOM 0 HG13 VAL A 53 -16.520 7.046 -3.398 1.00 1.99 H new ATOM 0 HG21 VAL A 53 -17.842 8.164 -5.950 1.00 1.73 H new ATOM 0 HG22 VAL A 53 -18.249 8.725 -4.311 1.00 1.73 H new ATOM 0 HG23 VAL A 53 -17.736 9.895 -5.550 1.00 1.73 H new ATOM 854 N GLY A 54 -17.236 11.544 -3.540 1.00 1.45 N ATOM 855 CA GLY A 54 -17.737 12.908 -3.599 1.00 1.49 C ATOM 856 C GLY A 54 -16.679 13.919 -3.167 1.00 1.43 C ATOM 857 O GLY A 54 -16.273 14.748 -3.986 1.00 1.54 O ATOM 0 H GLY A 54 -17.928 10.892 -3.171 1.00 1.45 H new ATOM 0 HA2 GLY A 54 -18.061 13.133 -4.615 1.00 1.49 H new ATOM 0 HA3 GLY A 54 -18.613 13.002 -2.957 1.00 1.49 H new ATOM 861 N SER A 55 -16.218 13.827 -1.915 1.00 1.39 N ATOM 862 CA SER A 55 -15.172 14.681 -1.374 1.00 1.41 C ATOM 863 C SER A 55 -13.833 13.945 -1.286 1.00 1.21 C ATOM 864 O SER A 55 -13.082 14.139 -0.325 1.00 1.29 O ATOM 865 CB SER A 55 -15.624 15.239 -0.018 1.00 1.61 C ATOM 866 OG SER A 55 -16.812 15.994 -0.186 1.00 2.44 O ATOM 0 H SER A 55 -16.571 13.144 -1.244 1.00 1.39 H new ATOM 0 HA SER A 55 -15.007 15.519 -2.051 1.00 1.41 H new ATOM 0 HB2 SER A 55 -15.796 14.423 0.683 1.00 1.61 H new ATOM 0 HB3 SER A 55 -14.840 15.865 0.408 1.00 1.61 H new ATOM 0 HG SER A 55 -17.100 16.348 0.681 1.00 2.44 H new ATOM 872 N LEU A 56 -13.472 13.187 -2.334 1.00 1.33 N ATOM 873 CA LEU A 56 -12.116 12.723 -2.580 1.00 1.38 C ATOM 874 C LEU A 56 -11.127 13.844 -2.271 1.00 1.30 C ATOM 875 O LEU A 56 -10.137 13.613 -1.591 1.00 1.32 O ATOM 876 CB LEU A 56 -12.041 12.263 -4.045 1.00 1.62 C ATOM 877 CG LEU A 56 -10.677 11.899 -4.638 1.00 1.69 C ATOM 878 CD1 LEU A 56 -9.988 13.112 -5.269 1.00 1.43 C ATOM 879 CD2 LEU A 56 -9.785 11.200 -3.625 1.00 1.82 C ATOM 0 H LEU A 56 -14.137 12.878 -3.044 1.00 1.33 H new ATOM 0 HA LEU A 56 -11.854 11.885 -1.934 1.00 1.38 H new ATOM 0 HB2 LEU A 56 -12.689 11.393 -4.151 1.00 1.62 H new ATOM 0 HB3 LEU A 56 -12.467 13.055 -4.661 1.00 1.62 H new ATOM 0 HG LEU A 56 -10.860 11.185 -5.441 1.00 1.69 H new ATOM 0 HD11 LEU A 56 -9.024 12.811 -5.678 1.00 1.43 H new ATOM 0 HD12 LEU A 56 -10.613 13.510 -6.069 1.00 1.43 H new ATOM 0 HD13 LEU A 56 -9.837 13.880 -4.510 1.00 1.43 H new ATOM 0 HD21 LEU A 56 -8.828 10.960 -4.088 1.00 1.82 H new ATOM 0 HD22 LEU A 56 -9.621 11.857 -2.771 1.00 1.82 H new ATOM 0 HD23 LEU A 56 -10.266 10.281 -3.289 1.00 1.82 H new ATOM 891 N ASP A 57 -11.439 15.063 -2.710 1.00 1.35 N ATOM 892 CA ASP A 57 -10.684 16.298 -2.535 1.00 1.34 C ATOM 893 C ASP A 57 -10.059 16.404 -1.135 1.00 1.27 C ATOM 894 O ASP A 57 -8.905 16.806 -0.978 1.00 1.28 O ATOM 895 CB ASP A 57 -11.624 17.486 -2.813 1.00 1.53 C ATOM 896 CG ASP A 57 -12.465 17.299 -4.074 1.00 2.71 C ATOM 897 OD1 ASP A 57 -13.305 16.367 -4.056 1.00 3.61 O ATOM 898 OD2 ASP A 57 -12.266 18.038 -5.056 1.00 3.72 O ATOM 0 H ASP A 57 -12.296 15.222 -3.240 1.00 1.35 H new ATOM 0 HA ASP A 57 -9.852 16.306 -3.239 1.00 1.34 H new ATOM 0 HB2 ASP A 57 -12.286 17.626 -1.959 1.00 1.53 H new ATOM 0 HB3 ASP A 57 -11.032 18.396 -2.910 1.00 1.53 H new ATOM 903 N GLU A 58 -10.814 16.015 -0.102 1.00 1.28 N ATOM 904 CA GLU A 58 -10.310 15.985 1.260 1.00 1.31 C ATOM 905 C GLU A 58 -9.143 15.001 1.380 1.00 1.23 C ATOM 906 O GLU A 58 -8.058 15.348 1.850 1.00 1.26 O ATOM 907 CB GLU A 58 -11.466 15.627 2.208 1.00 1.44 C ATOM 908 CG GLU A 58 -10.988 15.474 3.658 1.00 1.95 C ATOM 909 CD GLU A 58 -10.376 16.779 4.137 1.00 3.69 C ATOM 910 OE1 GLU A 58 -11.049 17.826 4.027 1.00 4.71 O ATOM 911 OE2 GLU A 58 -9.168 16.789 4.460 1.00 5.06 O ATOM 0 H GLU A 58 -11.785 15.715 -0.193 1.00 1.28 H new ATOM 0 HA GLU A 58 -9.924 16.966 1.538 1.00 1.31 H new ATOM 0 HB2 GLU A 58 -12.231 16.402 2.157 1.00 1.44 H new ATOM 0 HB3 GLU A 58 -11.931 14.698 1.879 1.00 1.44 H new ATOM 0 HG2 GLU A 58 -11.825 15.197 4.299 1.00 1.95 H new ATOM 0 HG3 GLU A 58 -10.254 14.671 3.726 1.00 1.95 H new ATOM 918 N LYS A 59 -9.380 13.753 0.962 1.00 1.23 N ATOM 919 CA LYS A 59 -8.345 12.731 0.947 1.00 1.27 C ATOM 920 C LYS A 59 -7.150 13.269 0.158 1.00 1.23 C ATOM 921 O LYS A 59 -6.029 13.244 0.644 1.00 1.26 O ATOM 922 CB LYS A 59 -8.847 11.416 0.320 1.00 1.35 C ATOM 923 CG LYS A 59 -10.258 10.925 0.686 1.00 1.27 C ATOM 924 CD LYS A 59 -10.385 10.261 2.067 1.00 1.72 C ATOM 925 CE LYS A 59 -10.410 11.220 3.268 1.00 2.38 C ATOM 926 NZ LYS A 59 -11.409 12.299 3.112 1.00 2.87 N ATOM 0 H LYS A 59 -10.289 13.431 0.629 1.00 1.23 H new ATOM 0 HA LYS A 59 -8.057 12.505 1.974 1.00 1.27 H new ATOM 0 HB2 LYS A 59 -8.804 11.527 -0.764 1.00 1.35 H new ATOM 0 HB3 LYS A 59 -8.142 10.629 0.588 1.00 1.35 H new ATOM 0 HG2 LYS A 59 -10.942 11.773 0.644 1.00 1.27 H new ATOM 0 HG3 LYS A 59 -10.585 10.214 -0.072 1.00 1.27 H new ATOM 0 HD2 LYS A 59 -11.298 9.666 2.081 1.00 1.72 H new ATOM 0 HD3 LYS A 59 -9.552 9.569 2.195 1.00 1.72 H new ATOM 0 HE2 LYS A 59 -10.628 10.656 4.175 1.00 2.38 H new ATOM 0 HE3 LYS A 59 -9.421 11.661 3.397 1.00 2.38 H new ATOM 0 HZ1 LYS A 59 -11.482 12.836 4.000 1.00 2.87 H new ATOM 0 HZ2 LYS A 59 -11.114 12.937 2.345 1.00 2.87 H new ATOM 0 HZ3 LYS A 59 -12.334 11.885 2.881 1.00 2.87 H new ATOM 940 N MET A 60 -7.413 13.783 -1.043 1.00 1.21 N ATOM 941 CA MET A 60 -6.433 14.289 -1.991 1.00 1.14 C ATOM 942 C MET A 60 -5.443 15.215 -1.283 1.00 1.11 C ATOM 943 O MET A 60 -4.241 14.941 -1.262 1.00 1.11 O ATOM 944 CB MET A 60 -7.193 14.971 -3.139 1.00 1.18 C ATOM 945 CG MET A 60 -6.382 15.256 -4.402 1.00 1.23 C ATOM 946 SD MET A 60 -5.151 16.578 -4.303 1.00 1.82 S ATOM 947 CE MET A 60 -4.729 16.699 -6.054 1.00 2.29 C ATOM 0 H MET A 60 -8.367 13.860 -1.395 1.00 1.21 H new ATOM 0 HA MET A 60 -5.834 13.482 -2.414 1.00 1.14 H new ATOM 0 HB2 MET A 60 -8.042 14.343 -3.410 1.00 1.18 H new ATOM 0 HB3 MET A 60 -7.598 15.913 -2.771 1.00 1.18 H new ATOM 0 HG2 MET A 60 -5.871 14.338 -4.692 1.00 1.23 H new ATOM 0 HG3 MET A 60 -7.078 15.500 -5.204 1.00 1.23 H new ATOM 0 HE1 MET A 60 -3.670 16.936 -6.158 1.00 2.29 H new ATOM 0 HE2 MET A 60 -4.938 15.749 -6.545 1.00 2.29 H new ATOM 0 HE3 MET A 60 -5.324 17.486 -6.518 1.00 2.29 H new ATOM 957 N LYS A 61 -5.962 16.279 -0.658 1.00 1.13 N ATOM 958 CA LYS A 61 -5.121 17.241 0.043 1.00 1.19 C ATOM 959 C LYS A 61 -4.278 16.565 1.133 1.00 1.24 C ATOM 960 O LYS A 61 -3.157 16.996 1.397 1.00 1.30 O ATOM 961 CB LYS A 61 -5.946 18.442 0.547 1.00 1.31 C ATOM 962 CG LYS A 61 -6.153 18.518 2.070 1.00 2.76 C ATOM 963 CD LYS A 61 -6.844 19.838 2.443 1.00 2.86 C ATOM 964 CE LYS A 61 -8.371 19.721 2.372 1.00 3.04 C ATOM 965 NZ LYS A 61 -8.939 19.230 3.645 1.00 4.80 N ATOM 0 H LYS A 61 -6.959 16.490 -0.627 1.00 1.13 H new ATOM 0 HA LYS A 61 -4.403 17.651 -0.667 1.00 1.19 H new ATOM 0 HB2 LYS A 61 -5.456 19.359 0.219 1.00 1.31 H new ATOM 0 HB3 LYS A 61 -6.924 18.414 0.067 1.00 1.31 H new ATOM 0 HG2 LYS A 61 -6.757 17.675 2.405 1.00 2.76 H new ATOM 0 HG3 LYS A 61 -5.192 18.445 2.580 1.00 2.76 H new ATOM 0 HD2 LYS A 61 -6.548 20.131 3.450 1.00 2.86 H new ATOM 0 HD3 LYS A 61 -6.508 20.627 1.770 1.00 2.86 H new ATOM 0 HE2 LYS A 61 -8.800 20.694 2.133 1.00 3.04 H new ATOM 0 HE3 LYS A 61 -8.647 19.043 1.564 1.00 3.04 H new ATOM 0 HZ1 LYS A 61 -9.970 19.131 3.550 1.00 4.80 H new ATOM 0 HZ2 LYS A 61 -8.522 18.306 3.878 1.00 4.80 H new ATOM 0 HZ3 LYS A 61 -8.725 19.907 4.405 1.00 4.80 H new ATOM 979 N SER A 62 -4.841 15.543 1.789 1.00 1.26 N ATOM 980 CA SER A 62 -4.190 14.815 2.870 1.00 1.33 C ATOM 981 C SER A 62 -3.074 13.900 2.340 1.00 1.27 C ATOM 982 O SER A 62 -1.975 13.888 2.892 1.00 1.39 O ATOM 983 CB SER A 62 -5.248 14.037 3.668 1.00 1.48 C ATOM 984 OG SER A 62 -4.716 13.554 4.886 1.00 2.38 O ATOM 0 H SER A 62 -5.777 15.198 1.575 1.00 1.26 H new ATOM 0 HA SER A 62 -3.706 15.526 3.540 1.00 1.33 H new ATOM 0 HB2 SER A 62 -6.102 14.683 3.872 1.00 1.48 H new ATOM 0 HB3 SER A 62 -5.616 13.202 3.072 1.00 1.48 H new ATOM 0 HG SER A 62 -5.410 13.064 5.375 1.00 2.38 H new ATOM 990 N LEU A 63 -3.340 13.128 1.279 1.00 1.24 N ATOM 991 CA LEU A 63 -2.330 12.280 0.655 1.00 1.33 C ATOM 992 C LEU A 63 -1.167 13.139 0.173 1.00 1.33 C ATOM 993 O LEU A 63 -0.006 12.781 0.379 1.00 1.34 O ATOM 994 CB LEU A 63 -2.875 11.520 -0.564 1.00 1.41 C ATOM 995 CG LEU A 63 -3.606 10.201 -0.285 1.00 1.58 C ATOM 996 CD1 LEU A 63 -5.084 10.453 -0.010 1.00 2.07 C ATOM 997 CD2 LEU A 63 -3.497 9.309 -1.527 1.00 1.33 C ATOM 0 H LEU A 63 -4.257 13.077 0.835 1.00 1.24 H new ATOM 0 HA LEU A 63 -2.016 11.560 1.410 1.00 1.33 H new ATOM 0 HB2 LEU A 63 -3.558 12.180 -1.099 1.00 1.41 H new ATOM 0 HB3 LEU A 63 -2.042 11.312 -1.235 1.00 1.41 H new ATOM 0 HG LEU A 63 -3.154 9.725 0.585 1.00 1.58 H new ATOM 0 HD11 LEU A 63 -5.585 9.505 0.185 1.00 2.07 H new ATOM 0 HD12 LEU A 63 -5.187 11.103 0.859 1.00 2.07 H new ATOM 0 HD13 LEU A 63 -5.539 10.931 -0.877 1.00 2.07 H new ATOM 0 HD21 LEU A 63 -4.012 8.366 -1.344 1.00 1.33 H new ATOM 0 HD22 LEU A 63 -3.954 9.813 -2.378 1.00 1.33 H new ATOM 0 HD23 LEU A 63 -2.447 9.112 -1.743 1.00 1.33 H new ATOM 1009 N ASP A 64 -1.477 14.228 -0.536 1.00 1.34 N ATOM 1010 CA ASP A 64 -0.451 15.012 -1.194 1.00 1.40 C ATOM 1011 C ASP A 64 0.388 15.780 -0.168 1.00 1.67 C ATOM 1012 O ASP A 64 0.141 16.954 0.094 1.00 1.85 O ATOM 1013 CB ASP A 64 -1.072 15.933 -2.250 1.00 1.41 C ATOM 1014 CG ASP A 64 0.015 16.558 -3.105 1.00 1.54 C ATOM 1015 OD1 ASP A 64 1.185 16.127 -2.970 1.00 1.86 O ATOM 1016 OD2 ASP A 64 -0.292 17.440 -3.927 1.00 1.73 O ATOM 0 H ASP A 64 -2.427 14.578 -0.663 1.00 1.34 H new ATOM 0 HA ASP A 64 0.228 14.338 -1.716 1.00 1.40 H new ATOM 0 HB2 ASP A 64 -1.759 15.366 -2.879 1.00 1.41 H new ATOM 0 HB3 ASP A 64 -1.656 16.714 -1.764 1.00 1.41 H new ATOM 1021 N VAL A 65 1.389 15.111 0.409 1.00 1.77 N ATOM 1022 CA VAL A 65 2.225 15.601 1.502 1.00 2.09 C ATOM 1023 C VAL A 65 2.729 17.038 1.305 1.00 2.04 C ATOM 1024 O VAL A 65 2.775 17.811 2.258 1.00 2.22 O ATOM 1025 CB VAL A 65 3.396 14.631 1.761 1.00 2.28 C ATOM 1026 CG1 VAL A 65 2.888 13.242 2.165 1.00 2.60 C ATOM 1027 CG2 VAL A 65 4.341 14.479 0.558 1.00 2.25 C ATOM 0 H VAL A 65 1.649 14.170 0.112 1.00 1.77 H new ATOM 0 HA VAL A 65 1.584 15.636 2.383 1.00 2.09 H new ATOM 0 HB VAL A 65 3.962 15.078 2.578 1.00 2.28 H new ATOM 0 HG11 VAL A 65 3.737 12.581 2.341 1.00 2.60 H new ATOM 0 HG12 VAL A 65 2.296 13.322 3.077 1.00 2.60 H new ATOM 0 HG13 VAL A 65 2.270 12.834 1.365 1.00 2.60 H new ATOM 0 HG21 VAL A 65 5.141 13.783 0.810 1.00 2.25 H new ATOM 0 HG22 VAL A 65 3.783 14.097 -0.297 1.00 2.25 H new ATOM 0 HG23 VAL A 65 4.770 15.449 0.307 1.00 2.25 H new ATOM 1037 N ASN A 66 3.139 17.380 0.080 1.00 1.85 N ATOM 1038 CA ASN A 66 3.651 18.707 -0.279 1.00 1.82 C ATOM 1039 C ASN A 66 2.561 19.593 -0.884 1.00 1.80 C ATOM 1040 O ASN A 66 2.789 20.783 -1.077 1.00 1.85 O ATOM 1041 CB ASN A 66 4.851 18.592 -1.231 1.00 1.84 C ATOM 1042 CG ASN A 66 4.625 17.567 -2.338 1.00 1.67 C ATOM 1043 OD1 ASN A 66 3.607 17.570 -3.034 1.00 1.29 O ATOM 1044 ND2 ASN A 66 5.532 16.607 -2.453 1.00 2.64 N ATOM 0 H ASN A 66 3.124 16.730 -0.706 1.00 1.85 H new ATOM 0 HA ASN A 66 3.986 19.185 0.642 1.00 1.82 H new ATOM 0 HB2 ASN A 66 5.050 19.566 -1.678 1.00 1.84 H new ATOM 0 HB3 ASN A 66 5.738 18.316 -0.660 1.00 1.84 H new ATOM 0 HD21 ASN A 66 5.394 15.853 -3.126 1.00 2.64 H new ATOM 0 HD22 ASN A 66 6.368 16.622 -1.868 1.00 2.64 H new ATOM 1051 N GLN A 67 1.392 19.024 -1.176 1.00 1.81 N ATOM 1052 CA GLN A 67 0.227 19.717 -1.700 1.00 1.83 C ATOM 1053 C GLN A 67 0.569 20.531 -2.957 1.00 1.69 C ATOM 1054 O GLN A 67 -0.008 21.588 -3.206 1.00 1.66 O ATOM 1055 CB GLN A 67 -0.464 20.481 -0.557 1.00 2.05 C ATOM 1056 CG GLN A 67 -1.993 20.500 -0.713 1.00 2.07 C ATOM 1057 CD GLN A 67 -2.672 20.807 0.617 1.00 2.61 C ATOM 1058 OE1 GLN A 67 -3.042 21.945 0.888 1.00 2.66 O ATOM 1059 NE2 GLN A 67 -2.853 19.802 1.474 1.00 3.92 N ATOM 0 H GLN A 67 1.229 18.025 -1.047 1.00 1.81 H new ATOM 0 HA GLN A 67 -0.515 19.008 -2.068 1.00 1.83 H new ATOM 0 HB2 GLN A 67 -0.203 20.020 0.396 1.00 2.05 H new ATOM 0 HB3 GLN A 67 -0.091 21.505 -0.529 1.00 2.05 H new ATOM 0 HG2 GLN A 67 -2.278 21.248 -1.453 1.00 2.07 H new ATOM 0 HG3 GLN A 67 -2.336 19.535 -1.087 1.00 2.07 H new ATOM 0 HE21 GLN A 67 -2.539 18.862 1.232 1.00 3.92 H new ATOM 0 HE22 GLN A 67 -3.306 19.973 2.372 1.00 3.92 H new ATOM 1068 N ASP A 68 1.485 19.994 -3.775 1.00 1.79 N ATOM 1069 CA ASP A 68 1.806 20.511 -5.103 1.00 1.70 C ATOM 1070 C ASP A 68 0.606 20.355 -6.054 1.00 1.64 C ATOM 1071 O ASP A 68 0.566 21.011 -7.092 1.00 1.96 O ATOM 1072 CB ASP A 68 3.096 19.863 -5.664 1.00 1.56 C ATOM 1073 CG ASP A 68 2.968 18.369 -5.884 1.00 1.34 C ATOM 1074 OD1 ASP A 68 1.856 17.843 -5.751 1.00 1.29 O ATOM 1075 OD2 ASP A 68 3.948 17.594 -5.946 1.00 1.44 O ATOM 0 H ASP A 68 2.032 19.171 -3.522 1.00 1.79 H new ATOM 0 HA ASP A 68 2.009 21.578 -5.016 1.00 1.70 H new ATOM 0 HB2 ASP A 68 3.354 20.342 -6.609 1.00 1.56 H new ATOM 0 HB3 ASP A 68 3.919 20.053 -4.975 1.00 1.56 H new ATOM 1080 N SER A 69 -0.371 19.511 -5.693 1.00 1.58 N ATOM 1081 CA SER A 69 -1.585 19.187 -6.432 1.00 1.56 C ATOM 1082 C SER A 69 -1.356 18.097 -7.487 1.00 1.34 C ATOM 1083 O SER A 69 -2.251 17.825 -8.291 1.00 1.45 O ATOM 1084 CB SER A 69 -2.294 20.427 -6.993 1.00 1.78 C ATOM 1085 OG SER A 69 -2.492 21.373 -5.959 1.00 2.55 O ATOM 0 H SER A 69 -0.323 19.003 -4.810 1.00 1.58 H new ATOM 0 HA SER A 69 -2.277 18.762 -5.705 1.00 1.56 H new ATOM 0 HB2 SER A 69 -1.698 20.867 -7.793 1.00 1.78 H new ATOM 0 HB3 SER A 69 -3.252 20.144 -7.428 1.00 1.78 H new ATOM 0 HG SER A 69 -2.943 22.164 -6.321 1.00 2.55 H new ATOM 1091 N GLU A 70 -0.196 17.437 -7.443 1.00 1.16 N ATOM 1092 CA GLU A 70 0.087 16.192 -8.130 1.00 1.05 C ATOM 1093 C GLU A 70 0.221 15.116 -7.059 1.00 0.99 C ATOM 1094 O GLU A 70 0.980 15.300 -6.108 1.00 1.06 O ATOM 1095 CB GLU A 70 1.430 16.264 -8.861 1.00 1.16 C ATOM 1096 CG GLU A 70 1.468 17.212 -10.060 1.00 1.34 C ATOM 1097 CD GLU A 70 2.773 17.018 -10.819 1.00 2.00 C ATOM 1098 OE1 GLU A 70 3.818 16.944 -10.129 1.00 3.05 O ATOM 1099 OE2 GLU A 70 2.703 16.872 -12.056 1.00 2.65 O ATOM 0 H GLU A 70 0.600 17.777 -6.903 1.00 1.16 H new ATOM 0 HA GLU A 70 -0.706 15.986 -8.849 1.00 1.05 H new ATOM 0 HB2 GLU A 70 2.197 16.572 -8.150 1.00 1.16 H new ATOM 0 HB3 GLU A 70 1.695 15.263 -9.201 1.00 1.16 H new ATOM 0 HG2 GLU A 70 0.620 17.018 -10.717 1.00 1.34 H new ATOM 0 HG3 GLU A 70 1.381 18.245 -9.723 1.00 1.34 H new ATOM 1106 N LEU A 71 -0.429 13.973 -7.228 1.00 0.91 N ATOM 1107 CA LEU A 71 -0.101 12.771 -6.482 1.00 0.87 C ATOM 1108 C LEU A 71 0.837 11.991 -7.403 1.00 0.71 C ATOM 1109 O LEU A 71 0.359 11.405 -8.374 1.00 0.66 O ATOM 1110 CB LEU A 71 -1.372 11.954 -6.197 1.00 0.97 C ATOM 1111 CG LEU A 71 -2.403 12.496 -5.206 1.00 1.21 C ATOM 1112 CD1 LEU A 71 -2.010 12.257 -3.749 1.00 1.33 C ATOM 1113 CD2 LEU A 71 -2.728 13.973 -5.413 1.00 1.38 C ATOM 0 H LEU A 71 -1.199 13.855 -7.887 1.00 0.91 H new ATOM 0 HA LEU A 71 0.354 12.993 -5.517 1.00 0.87 H new ATOM 0 HB2 LEU A 71 -1.882 11.799 -7.148 1.00 0.97 H new ATOM 0 HB3 LEU A 71 -1.058 10.973 -5.840 1.00 0.97 H new ATOM 0 HG LEU A 71 -3.305 11.923 -5.419 1.00 1.21 H new ATOM 0 HD11 LEU A 71 -2.780 12.663 -3.093 1.00 1.33 H new ATOM 0 HD12 LEU A 71 -1.909 11.187 -3.570 1.00 1.33 H new ATOM 0 HD13 LEU A 71 -1.060 12.750 -3.543 1.00 1.33 H new ATOM 0 HD21 LEU A 71 -3.466 14.290 -4.676 1.00 1.38 H new ATOM 0 HD22 LEU A 71 -1.820 14.565 -5.296 1.00 1.38 H new ATOM 0 HD23 LEU A 71 -3.130 14.120 -6.415 1.00 1.38 H new ATOM 1125 N LYS A 72 2.152 12.011 -7.156 1.00 0.88 N ATOM 1126 CA LYS A 72 3.081 11.133 -7.876 1.00 1.02 C ATOM 1127 C LYS A 72 3.433 9.921 -7.006 1.00 0.86 C ATOM 1128 O LYS A 72 3.034 9.871 -5.844 1.00 0.98 O ATOM 1129 CB LYS A 72 4.266 11.924 -8.447 1.00 1.74 C ATOM 1130 CG LYS A 72 5.265 12.491 -7.429 1.00 0.96 C ATOM 1131 CD LYS A 72 5.777 13.871 -7.887 1.00 1.46 C ATOM 1132 CE LYS A 72 4.825 14.970 -7.389 1.00 2.86 C ATOM 1133 NZ LYS A 72 5.109 16.310 -7.946 1.00 3.44 N ATOM 0 H LYS A 72 2.594 12.621 -6.468 1.00 0.88 H new ATOM 0 HA LYS A 72 2.605 10.715 -8.763 1.00 1.02 H new ATOM 0 HB2 LYS A 72 4.810 11.275 -9.134 1.00 1.74 H new ATOM 0 HB3 LYS A 72 3.871 12.752 -9.036 1.00 1.74 H new ATOM 0 HG2 LYS A 72 4.788 12.579 -6.453 1.00 0.96 H new ATOM 0 HG3 LYS A 72 6.104 11.805 -7.313 1.00 0.96 H new ATOM 0 HD2 LYS A 72 6.781 14.044 -7.500 1.00 1.46 H new ATOM 0 HD3 LYS A 72 5.845 13.901 -8.974 1.00 1.46 H new ATOM 0 HE2 LYS A 72 3.802 14.692 -7.642 1.00 2.86 H new ATOM 0 HE3 LYS A 72 4.882 15.020 -6.302 1.00 2.86 H new ATOM 0 HZ1 LYS A 72 4.723 17.038 -7.312 1.00 3.44 H new ATOM 0 HZ2 LYS A 72 6.137 16.438 -8.035 1.00 3.44 H new ATOM 0 HZ3 LYS A 72 4.667 16.397 -8.883 1.00 3.44 H new ATOM 1147 N PHE A 73 4.130 8.925 -7.568 1.00 0.93 N ATOM 1148 CA PHE A 73 4.107 7.533 -7.105 1.00 1.01 C ATOM 1149 C PHE A 73 4.067 7.350 -5.583 1.00 0.99 C ATOM 1150 O PHE A 73 3.130 6.748 -5.068 1.00 1.07 O ATOM 1151 CB PHE A 73 5.292 6.753 -7.690 1.00 1.08 C ATOM 1152 CG PHE A 73 5.410 6.820 -9.198 1.00 1.58 C ATOM 1153 CD1 PHE A 73 4.674 5.935 -10.009 1.00 2.80 C ATOM 1154 CD2 PHE A 73 6.252 7.778 -9.792 1.00 3.03 C ATOM 1155 CE1 PHE A 73 4.788 6.004 -11.409 1.00 4.24 C ATOM 1156 CE2 PHE A 73 6.347 7.857 -11.191 1.00 4.48 C ATOM 1157 CZ PHE A 73 5.604 6.982 -12.001 1.00 4.86 C ATOM 0 H PHE A 73 4.738 9.068 -8.374 1.00 0.93 H new ATOM 0 HA PHE A 73 3.161 7.134 -7.472 1.00 1.01 H new ATOM 0 HB2 PHE A 73 6.213 7.134 -7.250 1.00 1.08 H new ATOM 0 HB3 PHE A 73 5.205 5.708 -7.392 1.00 1.08 H new ATOM 0 HD1 PHE A 73 4.022 5.203 -9.556 1.00 2.80 H new ATOM 0 HD2 PHE A 73 6.825 8.452 -9.173 1.00 3.03 H new ATOM 0 HE1 PHE A 73 4.248 5.304 -12.029 1.00 4.24 H new ATOM 0 HE2 PHE A 73 6.993 8.593 -11.646 1.00 4.48 H new ATOM 0 HZ PHE A 73 5.660 7.061 -13.077 1.00 4.86 H new ATOM 1167 N ASN A 74 5.072 7.842 -4.854 1.00 0.97 N ATOM 1168 CA ASN A 74 5.160 7.611 -3.409 1.00 1.03 C ATOM 1169 C ASN A 74 4.077 8.376 -2.635 1.00 1.10 C ATOM 1170 O ASN A 74 3.681 7.960 -1.550 1.00 1.29 O ATOM 1171 CB ASN A 74 6.567 7.940 -2.891 1.00 1.05 C ATOM 1172 CG ASN A 74 6.667 7.775 -1.377 1.00 1.28 C ATOM 1173 OD1 ASN A 74 6.942 6.684 -0.890 1.00 1.83 O ATOM 1174 ND2 ASN A 74 6.479 8.853 -0.620 1.00 1.78 N ATOM 0 H ASN A 74 5.834 8.401 -5.238 1.00 0.97 H new ATOM 0 HA ASN A 74 4.976 6.551 -3.233 1.00 1.03 H new ATOM 0 HB2 ASN A 74 7.294 7.289 -3.376 1.00 1.05 H new ATOM 0 HB3 ASN A 74 6.824 8.964 -3.163 1.00 1.05 H new ATOM 0 HD21 ASN A 74 6.563 8.785 0.394 1.00 1.78 H new ATOM 0 HD22 ASN A 74 6.251 9.748 -1.054 1.00 1.78 H new ATOM 1181 N GLU A 75 3.599 9.496 -3.179 1.00 1.00 N ATOM 1182 CA GLU A 75 2.519 10.264 -2.584 1.00 1.06 C ATOM 1183 C GLU A 75 1.220 9.485 -2.798 1.00 1.08 C ATOM 1184 O GLU A 75 0.537 9.112 -1.844 1.00 1.23 O ATOM 1185 CB GLU A 75 2.446 11.653 -3.237 1.00 1.07 C ATOM 1186 CG GLU A 75 3.815 12.339 -3.376 1.00 1.35 C ATOM 1187 CD GLU A 75 3.671 13.660 -4.102 1.00 1.42 C ATOM 1188 OE1 GLU A 75 2.962 13.750 -5.123 1.00 2.01 O ATOM 1189 OE2 GLU A 75 4.161 14.706 -3.640 1.00 2.26 O ATOM 0 H GLU A 75 3.956 9.893 -4.048 1.00 1.00 H new ATOM 0 HA GLU A 75 2.687 10.411 -1.517 1.00 1.06 H new ATOM 0 HB2 GLU A 75 1.994 11.558 -4.224 1.00 1.07 H new ATOM 0 HB3 GLU A 75 1.788 12.290 -2.645 1.00 1.07 H new ATOM 0 HG2 GLU A 75 4.248 12.504 -2.390 1.00 1.35 H new ATOM 0 HG3 GLU A 75 4.501 11.690 -3.921 1.00 1.35 H new ATOM 1196 N TYR A 76 0.916 9.209 -4.072 1.00 1.00 N ATOM 1197 CA TYR A 76 -0.243 8.434 -4.486 1.00 1.02 C ATOM 1198 C TYR A 76 -0.315 7.122 -3.725 1.00 1.03 C ATOM 1199 O TYR A 76 -1.409 6.724 -3.327 1.00 0.98 O ATOM 1200 CB TYR A 76 -0.193 8.145 -5.994 1.00 1.03 C ATOM 1201 CG TYR A 76 -1.255 7.150 -6.423 1.00 1.20 C ATOM 1202 CD1 TYR A 76 -2.593 7.569 -6.549 1.00 1.55 C ATOM 1203 CD2 TYR A 76 -0.957 5.773 -6.391 1.00 2.85 C ATOM 1204 CE1 TYR A 76 -3.626 6.618 -6.595 1.00 1.91 C ATOM 1205 CE2 TYR A 76 -1.994 4.827 -6.389 1.00 3.30 C ATOM 1206 CZ TYR A 76 -3.329 5.253 -6.455 1.00 2.37 C ATOM 1207 OH TYR A 76 -4.332 4.332 -6.457 1.00 3.11 O ATOM 0 H TYR A 76 1.486 9.529 -4.855 1.00 1.00 H new ATOM 0 HA TYR A 76 -1.132 9.024 -4.263 1.00 1.02 H new ATOM 0 HB2 TYR A 76 -0.326 9.076 -6.545 1.00 1.03 H new ATOM 0 HB3 TYR A 76 0.792 7.758 -6.255 1.00 1.03 H new ATOM 0 HD1 TYR A 76 -2.825 8.622 -6.610 1.00 1.55 H new ATOM 0 HD2 TYR A 76 0.072 5.445 -6.368 1.00 2.85 H new ATOM 0 HE1 TYR A 76 -4.648 6.937 -6.738 1.00 1.91 H new ATOM 0 HE2 TYR A 76 -1.765 3.773 -6.337 1.00 3.30 H new ATOM 0 HH TYR A 76 -3.952 3.435 -6.351 1.00 3.11 H new ATOM 1217 N TRP A 77 0.834 6.454 -3.558 1.00 1.09 N ATOM 1218 CA TRP A 77 0.929 5.188 -2.857 1.00 1.07 C ATOM 1219 C TRP A 77 0.019 5.209 -1.617 1.00 0.89 C ATOM 1220 O TRP A 77 -0.720 4.247 -1.398 1.00 0.78 O ATOM 1221 CB TRP A 77 2.400 4.802 -2.542 1.00 1.22 C ATOM 1222 CG TRP A 77 2.487 3.829 -1.408 1.00 1.17 C ATOM 1223 CD1 TRP A 77 1.612 2.807 -1.300 1.00 1.61 C ATOM 1224 CD2 TRP A 77 2.952 4.057 -0.044 1.00 2.40 C ATOM 1225 NE1 TRP A 77 1.175 2.793 0.007 1.00 1.77 N ATOM 1226 CE2 TRP A 77 1.919 3.616 0.819 1.00 2.19 C ATOM 1227 CE3 TRP A 77 4.139 4.488 0.584 1.00 4.28 C ATOM 1228 CZ2 TRP A 77 1.925 3.870 2.198 1.00 3.51 C ATOM 1229 CZ3 TRP A 77 4.276 4.301 1.976 1.00 5.25 C ATOM 1230 CH2 TRP A 77 3.136 4.240 2.790 1.00 4.89 C ATOM 0 H TRP A 77 1.729 6.790 -3.914 1.00 1.09 H new ATOM 0 HA TRP A 77 0.568 4.394 -3.511 1.00 1.07 H new ATOM 0 HB2 TRP A 77 2.860 4.368 -3.430 1.00 1.22 H new ATOM 0 HB3 TRP A 77 2.967 5.700 -2.295 1.00 1.22 H new ATOM 0 HD1 TRP A 77 1.312 2.130 -2.086 1.00 1.61 H new ATOM 0 HE1 TRP A 77 0.387 2.234 0.335 1.00 1.77 H new ATOM 0 HE3 TRP A 77 4.928 4.952 0.011 1.00 4.28 H new ATOM 0 HZ2 TRP A 77 1.022 3.783 2.784 1.00 3.51 H new ATOM 0 HZ3 TRP A 77 5.258 4.205 2.414 1.00 5.25 H new ATOM 0 HH2 TRP A 77 3.192 4.472 3.843 1.00 4.89 H new ATOM 1241 N ARG A 78 0.023 6.291 -0.827 1.00 0.89 N ATOM 1242 CA ARG A 78 -0.795 6.376 0.379 1.00 0.83 C ATOM 1243 C ARG A 78 -2.220 5.858 0.179 1.00 0.72 C ATOM 1244 O ARG A 78 -2.762 5.270 1.108 1.00 0.70 O ATOM 1245 CB ARG A 78 -0.871 7.801 0.912 1.00 0.93 C ATOM 1246 CG ARG A 78 0.479 8.311 1.422 1.00 1.55 C ATOM 1247 CD ARG A 78 0.303 9.770 1.849 1.00 1.58 C ATOM 1248 NE ARG A 78 1.418 10.255 2.674 1.00 2.60 N ATOM 1249 CZ ARG A 78 1.526 10.069 3.998 1.00 3.25 C ATOM 1250 NH1 ARG A 78 0.659 9.270 4.631 1.00 3.44 N ATOM 1251 NH2 ARG A 78 2.499 10.678 4.685 1.00 4.57 N ATOM 0 H ARG A 78 0.588 7.121 -1.007 1.00 0.89 H new ATOM 0 HA ARG A 78 -0.293 5.734 1.103 1.00 0.83 H new ATOM 0 HB2 ARG A 78 -1.230 8.462 0.123 1.00 0.93 H new ATOM 0 HB3 ARG A 78 -1.601 7.844 1.721 1.00 0.93 H new ATOM 0 HG2 ARG A 78 0.822 7.707 2.262 1.00 1.55 H new ATOM 0 HG3 ARG A 78 1.236 8.231 0.642 1.00 1.55 H new ATOM 0 HD2 ARG A 78 0.213 10.396 0.961 1.00 1.58 H new ATOM 0 HD3 ARG A 78 -0.628 9.872 2.407 1.00 1.58 H new ATOM 0 HE ARG A 78 2.164 10.770 2.206 1.00 2.60 H new ATOM 0 HH11 ARG A 78 -0.082 8.804 4.107 1.00 3.44 H new ATOM 0 HH12 ARG A 78 0.739 9.127 5.638 1.00 3.44 H new ATOM 0 HH21 ARG A 78 3.161 11.285 4.202 1.00 4.57 H new ATOM 0 HH22 ARG A 78 2.579 10.535 5.692 1.00 4.57 H new ATOM 1265 N LEU A 79 -2.819 6.033 -1.005 1.00 0.78 N ATOM 1266 CA LEU A 79 -4.123 5.461 -1.275 1.00 0.82 C ATOM 1267 C LEU A 79 -4.153 3.973 -0.957 1.00 0.86 C ATOM 1268 O LEU A 79 -5.060 3.564 -0.255 1.00 0.85 O ATOM 1269 CB LEU A 79 -4.591 5.701 -2.716 1.00 0.88 C ATOM 1270 CG LEU A 79 -6.104 5.431 -2.839 1.00 0.91 C ATOM 1271 CD1 LEU A 79 -6.909 6.445 -2.014 1.00 0.99 C ATOM 1272 CD2 LEU A 79 -6.524 5.460 -4.309 1.00 0.84 C ATOM 0 H LEU A 79 -2.418 6.563 -1.779 1.00 0.78 H new ATOM 0 HA LEU A 79 -4.820 5.978 -0.615 1.00 0.82 H new ATOM 0 HB2 LEU A 79 -4.373 6.728 -3.010 1.00 0.88 H new ATOM 0 HB3 LEU A 79 -4.042 5.051 -3.397 1.00 0.88 H new ATOM 0 HG LEU A 79 -6.316 4.439 -2.440 1.00 0.91 H new ATOM 0 HD11 LEU A 79 -7.973 6.234 -2.117 1.00 0.99 H new ATOM 0 HD12 LEU A 79 -6.623 6.369 -0.965 1.00 0.99 H new ATOM 0 HD13 LEU A 79 -6.702 7.453 -2.374 1.00 0.99 H new ATOM 0 HD21 LEU A 79 -7.594 5.268 -4.385 1.00 0.84 H new ATOM 0 HD22 LEU A 79 -6.300 6.439 -4.732 1.00 0.84 H new ATOM 0 HD23 LEU A 79 -5.978 4.693 -4.859 1.00 0.84 H new ATOM 1284 N ILE A 80 -3.191 3.171 -1.436 1.00 0.96 N ATOM 1285 CA ILE A 80 -3.098 1.743 -1.188 1.00 1.12 C ATOM 1286 C ILE A 80 -2.692 1.520 0.274 1.00 1.21 C ATOM 1287 O ILE A 80 -3.196 0.608 0.931 1.00 1.33 O ATOM 1288 CB ILE A 80 -2.148 1.044 -2.184 1.00 1.20 C ATOM 1289 CG1 ILE A 80 -2.095 1.732 -3.564 1.00 1.42 C ATOM 1290 CG2 ILE A 80 -2.635 -0.404 -2.354 1.00 1.03 C ATOM 1291 CD1 ILE A 80 -1.236 0.965 -4.575 1.00 2.23 C ATOM 0 H ILE A 80 -2.435 3.520 -2.026 1.00 0.96 H new ATOM 0 HA ILE A 80 -4.073 1.283 -1.352 1.00 1.12 H new ATOM 0 HB ILE A 80 -1.137 1.093 -1.779 1.00 1.20 H new ATOM 0 HG12 ILE A 80 -3.108 1.831 -3.955 1.00 1.42 H new ATOM 0 HG13 ILE A 80 -1.698 2.741 -3.448 1.00 1.42 H new ATOM 0 HG21 ILE A 80 -1.983 -0.927 -3.054 1.00 1.03 H new ATOM 0 HG22 ILE A 80 -2.613 -0.911 -1.389 1.00 1.03 H new ATOM 0 HG23 ILE A 80 -3.654 -0.402 -2.740 1.00 1.03 H new ATOM 0 HD11 ILE A 80 -1.235 1.495 -5.528 1.00 2.23 H new ATOM 0 HD12 ILE A 80 -0.215 0.889 -4.201 1.00 2.23 H new ATOM 0 HD13 ILE A 80 -1.646 -0.035 -4.717 1.00 2.23 H new ATOM 1303 N GLY A 81 -1.821 2.412 0.777 1.00 1.25 N ATOM 1304 CA GLY A 81 -1.439 2.542 2.182 1.00 1.41 C ATOM 1305 C GLY A 81 -2.629 2.344 3.093 1.00 1.46 C ATOM 1306 O GLY A 81 -2.668 1.509 3.994 1.00 1.74 O ATOM 0 H GLY A 81 -1.346 3.091 0.182 1.00 1.25 H new ATOM 0 HA2 GLY A 81 -0.669 1.809 2.421 1.00 1.41 H new ATOM 0 HA3 GLY A 81 -1.006 3.527 2.354 1.00 1.41 H new ATOM 1310 N GLU A 82 -3.591 3.196 2.796 1.00 1.26 N ATOM 1311 CA GLU A 82 -4.869 3.296 3.436 1.00 1.30 C ATOM 1312 C GLU A 82 -5.748 2.127 2.996 1.00 1.41 C ATOM 1313 O GLU A 82 -6.244 1.415 3.843 1.00 1.61 O ATOM 1314 CB GLU A 82 -5.422 4.683 3.112 1.00 1.20 C ATOM 1315 CG GLU A 82 -4.578 5.752 3.840 1.00 1.25 C ATOM 1316 CD GLU A 82 -5.214 6.120 5.186 1.00 1.65 C ATOM 1317 OE1 GLU A 82 -6.290 6.757 5.180 1.00 2.24 O ATOM 1318 OE2 GLU A 82 -4.638 5.712 6.220 1.00 2.72 O ATOM 0 H GLU A 82 -3.483 3.880 2.047 1.00 1.26 H new ATOM 0 HA GLU A 82 -4.817 3.213 4.522 1.00 1.30 H new ATOM 0 HB2 GLU A 82 -5.397 4.855 2.036 1.00 1.20 H new ATOM 0 HB3 GLU A 82 -6.465 4.753 3.422 1.00 1.20 H new ATOM 0 HG2 GLU A 82 -3.567 5.377 4.000 1.00 1.25 H new ATOM 0 HG3 GLU A 82 -4.493 6.642 3.217 1.00 1.25 H new ATOM 1325 N LEU A 83 -5.927 1.880 1.703 1.00 1.29 N ATOM 1326 CA LEU A 83 -6.849 0.895 1.134 1.00 1.20 C ATOM 1327 C LEU A 83 -6.893 -0.410 1.948 1.00 1.00 C ATOM 1328 O LEU A 83 -7.954 -0.813 2.427 1.00 0.92 O ATOM 1329 CB LEU A 83 -6.438 0.642 -0.327 1.00 1.54 C ATOM 1330 CG LEU A 83 -7.576 0.355 -1.303 1.00 1.35 C ATOM 1331 CD1 LEU A 83 -8.229 1.666 -1.767 1.00 1.49 C ATOM 1332 CD2 LEU A 83 -7.047 -0.404 -2.526 1.00 2.95 C ATOM 0 H LEU A 83 -5.408 2.385 0.984 1.00 1.29 H new ATOM 0 HA LEU A 83 -7.863 1.292 1.171 1.00 1.20 H new ATOM 0 HB2 LEU A 83 -5.890 1.513 -0.685 1.00 1.54 H new ATOM 0 HB3 LEU A 83 -5.747 -0.200 -0.348 1.00 1.54 H new ATOM 0 HG LEU A 83 -8.319 -0.255 -0.789 1.00 1.35 H new ATOM 0 HD11 LEU A 83 -9.038 1.443 -2.462 1.00 1.49 H new ATOM 0 HD12 LEU A 83 -8.628 2.199 -0.904 1.00 1.49 H new ATOM 0 HD13 LEU A 83 -7.484 2.287 -2.264 1.00 1.49 H new ATOM 0 HD21 LEU A 83 -7.869 -0.603 -3.214 1.00 2.95 H new ATOM 0 HD22 LEU A 83 -6.290 0.198 -3.029 1.00 2.95 H new ATOM 0 HD23 LEU A 83 -6.606 -1.348 -2.206 1.00 2.95 H new ATOM 1344 N ALA A 84 -5.730 -1.047 2.145 1.00 1.08 N ATOM 1345 CA ALA A 84 -5.617 -2.286 2.917 1.00 1.10 C ATOM 1346 C ALA A 84 -6.092 -2.121 4.362 1.00 1.11 C ATOM 1347 O ALA A 84 -6.613 -3.055 4.963 1.00 1.26 O ATOM 1348 CB ALA A 84 -4.171 -2.775 2.894 1.00 1.34 C ATOM 0 H ALA A 84 -4.841 -0.714 1.771 1.00 1.08 H new ATOM 0 HA ALA A 84 -6.268 -3.024 2.449 1.00 1.10 H new ATOM 0 HB1 ALA A 84 -4.090 -3.697 3.469 1.00 1.34 H new ATOM 0 HB2 ALA A 84 -3.866 -2.962 1.864 1.00 1.34 H new ATOM 0 HB3 ALA A 84 -3.523 -2.016 3.332 1.00 1.34 H new ATOM 1354 N LYS A 85 -5.889 -0.939 4.935 1.00 1.10 N ATOM 1355 CA LYS A 85 -6.383 -0.556 6.246 1.00 1.06 C ATOM 1356 C LYS A 85 -7.900 -0.307 6.197 1.00 0.91 C ATOM 1357 O LYS A 85 -8.619 -0.790 7.068 1.00 0.91 O ATOM 1358 CB LYS A 85 -5.577 0.676 6.669 1.00 1.27 C ATOM 1359 CG LYS A 85 -5.605 1.102 8.137 1.00 1.31 C ATOM 1360 CD LYS A 85 -4.266 1.756 8.514 1.00 2.08 C ATOM 1361 CE LYS A 85 -3.679 2.700 7.442 1.00 1.24 C ATOM 1362 NZ LYS A 85 -3.465 4.103 7.848 1.00 1.65 N ATOM 0 H LYS A 85 -5.357 -0.197 4.480 1.00 1.10 H new ATOM 0 HA LYS A 85 -6.248 -1.345 6.986 1.00 1.06 H new ATOM 0 HB2 LYS A 85 -4.537 0.500 6.395 1.00 1.27 H new ATOM 0 HB3 LYS A 85 -5.925 1.520 6.073 1.00 1.27 H new ATOM 0 HG2 LYS A 85 -6.423 1.802 8.307 1.00 1.31 H new ATOM 0 HG3 LYS A 85 -5.789 0.236 8.773 1.00 1.31 H new ATOM 0 HD2 LYS A 85 -4.400 2.318 9.438 1.00 2.08 H new ATOM 0 HD3 LYS A 85 -3.540 0.970 8.722 1.00 2.08 H new ATOM 0 HE2 LYS A 85 -2.724 2.290 7.112 1.00 1.24 H new ATOM 0 HE3 LYS A 85 -4.344 2.692 6.579 1.00 1.24 H new ATOM 0 HZ1 LYS A 85 -4.229 4.695 7.466 1.00 1.65 H new ATOM 0 HZ2 LYS A 85 -3.463 4.168 8.886 1.00 1.65 H new ATOM 0 HZ3 LYS A 85 -2.551 4.436 7.479 1.00 1.65 H new ATOM 1376 N GLU A 86 -8.407 0.409 5.186 1.00 0.93 N ATOM 1377 CA GLU A 86 -9.799 0.831 5.070 1.00 0.93 C ATOM 1378 C GLU A 86 -10.761 -0.333 4.855 1.00 0.98 C ATOM 1379 O GLU A 86 -11.974 -0.162 4.984 1.00 1.44 O ATOM 1380 CB GLU A 86 -9.989 1.904 3.991 1.00 1.08 C ATOM 1381 CG GLU A 86 -9.086 3.126 4.180 1.00 1.35 C ATOM 1382 CD GLU A 86 -9.073 3.672 5.596 1.00 2.18 C ATOM 1383 OE1 GLU A 86 -10.058 4.336 5.991 1.00 2.40 O ATOM 1384 OE2 GLU A 86 -8.048 3.506 6.296 1.00 3.28 O ATOM 0 H GLU A 86 -7.835 0.719 4.401 1.00 0.93 H new ATOM 0 HA GLU A 86 -10.050 1.275 6.033 1.00 0.93 H new ATOM 0 HB2 GLU A 86 -9.792 1.464 3.013 1.00 1.08 H new ATOM 0 HB3 GLU A 86 -11.030 2.228 3.991 1.00 1.08 H new ATOM 0 HG2 GLU A 86 -8.068 2.860 3.895 1.00 1.35 H new ATOM 0 HG3 GLU A 86 -9.412 3.914 3.501 1.00 1.35 H new ATOM 1391 N ILE A 87 -10.261 -1.509 4.472 1.00 0.85 N ATOM 1392 CA ILE A 87 -11.063 -2.716 4.548 1.00 0.92 C ATOM 1393 C ILE A 87 -11.528 -2.982 5.992 1.00 1.13 C ATOM 1394 O ILE A 87 -12.639 -3.462 6.207 1.00 1.44 O ATOM 1395 CB ILE A 87 -10.265 -3.889 3.951 1.00 0.92 C ATOM 1396 CG1 ILE A 87 -11.246 -4.885 3.319 1.00 1.10 C ATOM 1397 CG2 ILE A 87 -9.381 -4.603 4.984 1.00 1.28 C ATOM 1398 CD1 ILE A 87 -10.473 -5.813 2.397 1.00 0.95 C ATOM 0 H ILE A 87 -9.316 -1.644 4.112 1.00 0.85 H new ATOM 0 HA ILE A 87 -11.973 -2.594 3.960 1.00 0.92 H new ATOM 0 HB ILE A 87 -9.590 -3.481 3.199 1.00 0.92 H new ATOM 0 HG12 ILE A 87 -11.753 -5.459 4.094 1.00 1.10 H new ATOM 0 HG13 ILE A 87 -12.017 -4.354 2.761 1.00 1.10 H new ATOM 0 HG21 ILE A 87 -8.844 -5.420 4.501 1.00 1.28 H new ATOM 0 HG22 ILE A 87 -8.665 -3.895 5.401 1.00 1.28 H new ATOM 0 HG23 ILE A 87 -10.005 -5.002 5.784 1.00 1.28 H new ATOM 0 HD11 ILE A 87 -11.159 -6.527 1.941 1.00 0.95 H new ATOM 0 HD12 ILE A 87 -9.986 -5.228 1.617 1.00 0.95 H new ATOM 0 HD13 ILE A 87 -9.719 -6.351 2.971 1.00 0.95 H new ATOM 1410 N ARG A 88 -10.664 -2.681 6.969 1.00 1.13 N ATOM 1411 CA ARG A 88 -10.793 -3.019 8.382 1.00 1.29 C ATOM 1412 C ARG A 88 -11.306 -1.805 9.157 1.00 1.30 C ATOM 1413 O ARG A 88 -12.319 -1.883 9.849 1.00 1.77 O ATOM 1414 CB ARG A 88 -9.420 -3.514 8.864 1.00 1.49 C ATOM 1415 CG ARG A 88 -9.331 -3.804 10.368 1.00 2.01 C ATOM 1416 CD ARG A 88 -8.569 -2.693 11.112 1.00 2.55 C ATOM 1417 NE ARG A 88 -8.245 -3.091 12.493 1.00 3.03 N ATOM 1418 CZ ARG A 88 -7.277 -3.955 12.844 1.00 3.42 C ATOM 1419 NH1 ARG A 88 -6.484 -4.484 11.905 1.00 3.68 N ATOM 1420 NH2 ARG A 88 -7.122 -4.286 14.129 1.00 4.50 N ATOM 0 H ARG A 88 -9.806 -2.164 6.777 1.00 1.13 H new ATOM 0 HA ARG A 88 -11.522 -3.812 8.549 1.00 1.29 H new ATOM 0 HB2 ARG A 88 -9.165 -4.422 8.318 1.00 1.49 H new ATOM 0 HB3 ARG A 88 -8.670 -2.766 8.608 1.00 1.49 H new ATOM 0 HG2 ARG A 88 -10.335 -3.898 10.782 1.00 2.01 H new ATOM 0 HG3 ARG A 88 -8.830 -4.759 10.527 1.00 2.01 H new ATOM 0 HD2 ARG A 88 -7.650 -2.458 10.575 1.00 2.55 H new ATOM 0 HD3 ARG A 88 -9.171 -1.784 11.126 1.00 2.55 H new ATOM 0 HE ARG A 88 -8.800 -2.678 13.243 1.00 3.03 H new ATOM 0 HH11 ARG A 88 -6.615 -4.231 10.925 1.00 3.68 H new ATOM 0 HH12 ARG A 88 -5.749 -5.140 12.169 1.00 3.68 H new ATOM 0 HH21 ARG A 88 -7.736 -3.884 14.837 1.00 4.50 H new ATOM 0 HH22 ARG A 88 -6.389 -4.941 14.402 1.00 4.50 H new ATOM 1434 N LYS A 89 -10.631 -0.666 8.995 1.00 1.04 N ATOM 1435 CA LYS A 89 -11.107 0.667 9.344 1.00 1.25 C ATOM 1436 C LYS A 89 -12.227 1.013 8.360 1.00 1.81 C ATOM 1437 O LYS A 89 -12.116 1.934 7.558 1.00 2.85 O ATOM 1438 CB LYS A 89 -9.877 1.597 9.270 1.00 1.05 C ATOM 1439 CG LYS A 89 -10.078 3.116 9.404 1.00 1.38 C ATOM 1440 CD LYS A 89 -8.685 3.764 9.509 1.00 1.31 C ATOM 1441 CE LYS A 89 -8.653 5.272 9.208 1.00 2.15 C ATOM 1442 NZ LYS A 89 -8.621 5.543 7.753 1.00 3.76 N ATOM 0 H LYS A 89 -9.692 -0.651 8.597 1.00 1.04 H new ATOM 0 HA LYS A 89 -11.528 0.759 10.345 1.00 1.25 H new ATOM 0 HB2 LYS A 89 -9.183 1.287 10.052 1.00 1.05 H new ATOM 0 HB3 LYS A 89 -9.384 1.414 8.315 1.00 1.05 H new ATOM 0 HG2 LYS A 89 -10.618 3.508 8.542 1.00 1.38 H new ATOM 0 HG3 LYS A 89 -10.675 3.347 10.286 1.00 1.38 H new ATOM 0 HD2 LYS A 89 -8.298 3.600 10.515 1.00 1.31 H new ATOM 0 HD3 LYS A 89 -8.010 3.256 8.821 1.00 1.31 H new ATOM 0 HE2 LYS A 89 -9.529 5.749 9.647 1.00 2.15 H new ATOM 0 HE3 LYS A 89 -7.778 5.718 9.680 1.00 2.15 H new ATOM 0 HZ1 LYS A 89 -8.347 6.533 7.590 1.00 3.76 H new ATOM 0 HZ2 LYS A 89 -7.930 4.913 7.298 1.00 3.76 H new ATOM 0 HZ3 LYS A 89 -9.564 5.374 7.348 1.00 3.76 H new ATOM 1456 N LYS A 90 -13.314 0.235 8.384 1.00 2.09 N ATOM 1457 CA LYS A 90 -14.304 0.314 7.324 1.00 2.94 C ATOM 1458 C LYS A 90 -15.003 1.668 7.338 1.00 3.20 C ATOM 1459 O LYS A 90 -15.223 2.268 6.283 1.00 4.20 O ATOM 1460 CB LYS A 90 -15.254 -0.889 7.337 1.00 3.76 C ATOM 1461 CG LYS A 90 -15.439 -1.453 5.919 1.00 5.04 C ATOM 1462 CD LYS A 90 -16.232 -0.539 4.968 1.00 5.88 C ATOM 1463 CE LYS A 90 -15.434 -0.024 3.755 1.00 6.77 C ATOM 1464 NZ LYS A 90 -14.341 0.912 4.095 1.00 7.15 N ATOM 0 H LYS A 90 -13.522 -0.444 9.116 1.00 2.09 H new ATOM 0 HA LYS A 90 -13.794 0.251 6.363 1.00 2.94 H new ATOM 0 HB2 LYS A 90 -14.858 -1.664 7.993 1.00 3.76 H new ATOM 0 HB3 LYS A 90 -16.220 -0.591 7.744 1.00 3.76 H new ATOM 0 HG2 LYS A 90 -14.457 -1.642 5.486 1.00 5.04 H new ATOM 0 HG3 LYS A 90 -15.948 -2.414 5.987 1.00 5.04 H new ATOM 0 HD2 LYS A 90 -17.105 -1.083 4.607 1.00 5.88 H new ATOM 0 HD3 LYS A 90 -16.601 0.317 5.533 1.00 5.88 H new ATOM 0 HE2 LYS A 90 -15.013 -0.878 3.224 1.00 6.77 H new ATOM 0 HE3 LYS A 90 -16.120 0.472 3.068 1.00 6.77 H new ATOM 0 HZ1 LYS A 90 -14.173 1.555 3.295 1.00 7.15 H new ATOM 0 HZ2 LYS A 90 -14.606 1.465 4.935 1.00 7.15 H new ATOM 0 HZ3 LYS A 90 -13.473 0.375 4.295 1.00 7.15 H new ATOM 1478 N LYS A 91 -15.290 2.123 8.555 1.00 3.09 N ATOM 1479 CA LYS A 91 -15.689 3.470 8.929 1.00 3.95 C ATOM 1480 C LYS A 91 -15.674 3.550 10.454 1.00 3.94 C ATOM 1481 O LYS A 91 -15.320 4.591 11.003 1.00 4.85 O ATOM 1482 CB LYS A 91 -17.075 3.838 8.367 1.00 5.09 C ATOM 1483 CG LYS A 91 -17.637 5.155 8.939 1.00 6.05 C ATOM 1484 CD LYS A 91 -16.813 6.403 8.561 1.00 7.14 C ATOM 1485 CE LYS A 91 -16.804 7.459 9.682 1.00 8.07 C ATOM 1486 NZ LYS A 91 -15.824 7.153 10.749 1.00 8.61 N ATOM 0 H LYS A 91 -15.245 1.507 9.367 1.00 3.09 H new ATOM 0 HA LYS A 91 -14.991 4.190 8.502 1.00 3.95 H new ATOM 0 HB2 LYS A 91 -17.009 3.921 7.282 1.00 5.09 H new ATOM 0 HB3 LYS A 91 -17.773 3.029 8.583 1.00 5.09 H new ATOM 0 HG2 LYS A 91 -18.660 5.286 8.585 1.00 6.05 H new ATOM 0 HG3 LYS A 91 -17.683 5.077 10.025 1.00 6.05 H new ATOM 0 HD2 LYS A 91 -15.789 6.105 8.337 1.00 7.14 H new ATOM 0 HD3 LYS A 91 -17.222 6.844 7.652 1.00 7.14 H new ATOM 0 HE2 LYS A 91 -16.576 8.435 9.254 1.00 8.07 H new ATOM 0 HE3 LYS A 91 -17.800 7.528 10.119 1.00 8.07 H new ATOM 0 HZ1 LYS A 91 -16.290 7.215 11.677 1.00 8.61 H new ATOM 0 HZ2 LYS A 91 -15.451 6.192 10.613 1.00 8.61 H new ATOM 0 HZ3 LYS A 91 -15.041 7.837 10.708 1.00 8.61 H new ATOM 1500 N ASP A 92 -16.101 2.460 11.100 1.00 3.73 N ATOM 1501 CA ASP A 92 -16.258 2.283 12.534 1.00 4.41 C ATOM 1502 C ASP A 92 -16.779 3.535 13.253 1.00 5.22 C ATOM 1503 O ASP A 92 -16.019 4.352 13.769 1.00 5.71 O ATOM 1504 CB ASP A 92 -14.991 1.691 13.162 1.00 4.30 C ATOM 1505 CG ASP A 92 -15.395 0.968 14.433 1.00 5.32 C ATOM 1506 OD1 ASP A 92 -15.932 1.624 15.352 1.00 6.64 O ATOM 1507 OD2 ASP A 92 -15.382 -0.284 14.431 1.00 5.48 O ATOM 0 H ASP A 92 -16.364 1.618 10.588 1.00 3.73 H new ATOM 0 HA ASP A 92 -17.051 1.549 12.679 1.00 4.41 H new ATOM 0 HB2 ASP A 92 -14.507 1.003 12.469 1.00 4.30 H new ATOM 0 HB3 ASP A 92 -14.271 2.479 13.384 1.00 4.30 H new ATOM 1512 N LEU A 93 -18.104 3.694 13.241 1.00 5.76 N ATOM 1513 CA LEU A 93 -18.844 4.713 13.954 1.00 6.64 C ATOM 1514 C LEU A 93 -20.304 4.312 13.751 1.00 6.92 C ATOM 1515 O LEU A 93 -21.035 4.046 14.701 1.00 7.56 O ATOM 1516 CB LEU A 93 -18.510 6.101 13.380 1.00 7.32 C ATOM 1517 CG LEU A 93 -19.597 7.132 13.691 1.00 8.27 C ATOM 1518 CD1 LEU A 93 -19.763 7.360 15.200 1.00 8.76 C ATOM 1519 CD2 LEU A 93 -19.279 8.465 13.007 1.00 9.12 C ATOM 0 H LEU A 93 -18.713 3.078 12.702 1.00 5.76 H new ATOM 0 HA LEU A 93 -18.603 4.782 15.015 1.00 6.64 H new ATOM 0 HB2 LEU A 93 -17.560 6.443 13.790 1.00 7.32 H new ATOM 0 HB3 LEU A 93 -18.382 6.025 12.300 1.00 7.32 H new ATOM 0 HG LEU A 93 -20.535 6.732 13.305 1.00 8.27 H new ATOM 0 HD11 LEU A 93 -20.545 8.099 15.372 1.00 8.76 H new ATOM 0 HD12 LEU A 93 -20.038 6.422 15.682 1.00 8.76 H new ATOM 0 HD13 LEU A 93 -18.824 7.721 15.619 1.00 8.76 H new ATOM 0 HD21 LEU A 93 -20.061 9.188 13.238 1.00 9.12 H new ATOM 0 HD22 LEU A 93 -18.321 8.840 13.368 1.00 9.12 H new ATOM 0 HD23 LEU A 93 -19.228 8.317 11.928 1.00 9.12 H new ATOM 1531 N LYS A 94 -20.691 4.218 12.476 1.00 6.67 N ATOM 1532 CA LYS A 94 -21.866 3.477 12.057 1.00 6.97 C ATOM 1533 C LYS A 94 -21.457 2.009 11.856 1.00 6.19 C ATOM 1534 O LYS A 94 -20.359 1.611 12.253 1.00 5.74 O ATOM 1535 CB LYS A 94 -22.447 4.124 10.788 1.00 7.91 C ATOM 1536 CG LYS A 94 -22.742 5.626 10.944 1.00 8.72 C ATOM 1537 CD LYS A 94 -23.753 5.918 12.065 1.00 9.28 C ATOM 1538 CE LYS A 94 -24.135 7.406 12.076 1.00 10.14 C ATOM 1539 NZ LYS A 94 -25.127 7.724 13.128 1.00 11.10 N ATOM 0 H LYS A 94 -20.189 4.660 11.706 1.00 6.67 H new ATOM 0 HA LYS A 94 -22.654 3.504 12.810 1.00 6.97 H new ATOM 0 HB2 LYS A 94 -21.747 3.983 9.965 1.00 7.91 H new ATOM 0 HB3 LYS A 94 -23.367 3.608 10.515 1.00 7.91 H new ATOM 0 HG2 LYS A 94 -21.812 6.155 11.152 1.00 8.72 H new ATOM 0 HG3 LYS A 94 -23.127 6.016 10.002 1.00 8.72 H new ATOM 0 HD2 LYS A 94 -24.646 5.309 11.924 1.00 9.28 H new ATOM 0 HD3 LYS A 94 -23.326 5.640 13.028 1.00 9.28 H new ATOM 0 HE2 LYS A 94 -23.239 8.008 12.231 1.00 10.14 H new ATOM 0 HE3 LYS A 94 -24.540 7.682 11.102 1.00 10.14 H new ATOM 0 HZ1 LYS A 94 -25.353 8.739 13.096 1.00 11.10 H new ATOM 0 HZ2 LYS A 94 -25.993 7.171 12.967 1.00 11.10 H new ATOM 0 HZ3 LYS A 94 -24.732 7.486 14.060 1.00 11.10 H new ATOM 1553 N ILE A 95 -22.357 1.223 11.259 1.00 6.61 N ATOM 1554 CA ILE A 95 -22.216 -0.214 11.051 1.00 6.55 C ATOM 1555 C ILE A 95 -21.173 -0.553 9.969 1.00 6.35 C ATOM 1556 O ILE A 95 -20.430 0.323 9.530 1.00 6.45 O ATOM 1557 CB ILE A 95 -23.617 -0.839 10.838 1.00 7.81 C ATOM 1558 CG1 ILE A 95 -24.465 -0.217 9.711 1.00 9.07 C ATOM 1559 CG2 ILE A 95 -24.417 -0.730 12.145 1.00 8.15 C ATOM 1560 CD1 ILE A 95 -23.833 -0.313 8.321 1.00 9.86 C ATOM 0 H ILE A 95 -23.237 1.588 10.894 1.00 6.61 H new ATOM 0 HA ILE A 95 -21.800 -0.678 11.945 1.00 6.55 H new ATOM 0 HB ILE A 95 -23.422 -1.868 10.537 1.00 7.81 H new ATOM 0 HG12 ILE A 95 -25.437 -0.709 9.690 1.00 9.07 H new ATOM 0 HG13 ILE A 95 -24.644 0.833 9.944 1.00 9.07 H new ATOM 0 HG21 ILE A 95 -25.405 -1.168 12.004 1.00 8.15 H new ATOM 0 HG22 ILE A 95 -23.893 -1.264 12.938 1.00 8.15 H new ATOM 0 HG23 ILE A 95 -24.521 0.319 12.422 1.00 8.15 H new ATOM 0 HD11 ILE A 95 -24.495 0.148 7.588 1.00 9.86 H new ATOM 0 HD12 ILE A 95 -22.874 0.205 8.321 1.00 9.86 H new ATOM 0 HD13 ILE A 95 -23.679 -1.361 8.063 1.00 9.86 H new ATOM 1572 N ARG A 96 -21.112 -1.834 9.572 1.00 6.72 N ATOM 1573 CA ARG A 96 -19.951 -2.512 8.998 1.00 7.04 C ATOM 1574 C ARG A 96 -18.882 -2.622 10.090 1.00 6.58 C ATOM 1575 O ARG A 96 -18.247 -1.641 10.470 1.00 7.21 O ATOM 1576 CB ARG A 96 -19.456 -1.930 7.657 1.00 8.09 C ATOM 1577 CG ARG A 96 -20.345 -2.361 6.474 1.00 9.44 C ATOM 1578 CD ARG A 96 -20.193 -3.830 6.021 1.00 10.40 C ATOM 1579 NE ARG A 96 -19.048 -4.061 5.118 1.00 11.56 N ATOM 1580 CZ ARG A 96 -17.791 -4.397 5.454 1.00 12.55 C ATOM 1581 NH1 ARG A 96 -17.436 -4.469 6.732 1.00 12.45 N ATOM 1582 NH2 ARG A 96 -16.900 -4.654 4.496 1.00 13.98 N ATOM 0 H ARG A 96 -21.918 -2.454 9.649 1.00 6.72 H new ATOM 0 HA ARG A 96 -20.244 -3.516 8.689 1.00 7.04 H new ATOM 0 HB2 ARG A 96 -19.439 -0.842 7.719 1.00 8.09 H new ATOM 0 HB3 ARG A 96 -18.431 -2.256 7.477 1.00 8.09 H new ATOM 0 HG2 ARG A 96 -21.387 -2.190 6.745 1.00 9.44 H new ATOM 0 HG3 ARG A 96 -20.126 -1.714 5.625 1.00 9.44 H new ATOM 0 HD2 ARG A 96 -20.082 -4.462 6.902 1.00 10.40 H new ATOM 0 HD3 ARG A 96 -21.109 -4.142 5.518 1.00 10.40 H new ATOM 0 HE ARG A 96 -19.233 -3.953 4.121 1.00 11.56 H new ATOM 0 HH11 ARG A 96 -18.119 -4.269 7.463 1.00 12.45 H new ATOM 0 HH12 ARG A 96 -16.481 -4.724 6.982 1.00 12.45 H new ATOM 0 HH21 ARG A 96 -17.174 -4.595 3.515 1.00 13.98 H new ATOM 0 HH22 ARG A 96 -15.944 -4.910 4.744 1.00 13.98 H new ATOM 1596 N LYS A 97 -18.745 -3.839 10.619 1.00 6.17 N ATOM 1597 CA LYS A 97 -18.123 -4.252 11.866 1.00 6.54 C ATOM 1598 C LYS A 97 -18.219 -5.786 11.860 1.00 6.53 C ATOM 1599 O LYS A 97 -19.213 -6.365 12.304 1.00 6.66 O ATOM 1600 CB LYS A 97 -18.843 -3.691 13.110 1.00 7.13 C ATOM 1601 CG LYS A 97 -18.576 -2.209 13.423 1.00 8.35 C ATOM 1602 CD LYS A 97 -19.144 -1.856 14.807 1.00 9.56 C ATOM 1603 CE LYS A 97 -18.822 -0.405 15.204 1.00 11.07 C ATOM 1604 NZ LYS A 97 -17.522 -0.292 15.896 1.00 11.94 N ATOM 0 H LYS A 97 -19.113 -4.649 10.120 1.00 6.17 H new ATOM 0 HA LYS A 97 -17.101 -3.878 11.925 1.00 6.54 H new ATOM 0 HB2 LYS A 97 -19.916 -3.828 12.979 1.00 7.13 H new ATOM 0 HB3 LYS A 97 -18.550 -4.285 13.976 1.00 7.13 H new ATOM 0 HG2 LYS A 97 -17.505 -2.010 13.399 1.00 8.35 H new ATOM 0 HG3 LYS A 97 -19.034 -1.579 12.661 1.00 8.35 H new ATOM 0 HD2 LYS A 97 -20.224 -2.001 14.804 1.00 9.56 H new ATOM 0 HD3 LYS A 97 -18.733 -2.537 15.553 1.00 9.56 H new ATOM 0 HE2 LYS A 97 -18.812 0.221 14.311 1.00 11.07 H new ATOM 0 HE3 LYS A 97 -19.611 -0.024 15.852 1.00 11.07 H new ATOM 0 HZ1 LYS A 97 -17.267 0.711 15.994 1.00 11.94 H new ATOM 0 HZ2 LYS A 97 -17.592 -0.725 16.839 1.00 11.94 H new ATOM 0 HZ3 LYS A 97 -16.791 -0.783 15.343 1.00 11.94 H new ATOM 1618 N LYS A 98 -17.182 -6.423 11.312 1.00 6.96 N ATOM 1619 CA LYS A 98 -17.275 -7.234 10.105 1.00 7.10 C ATOM 1620 C LYS A 98 -17.319 -6.160 9.038 1.00 7.12 C ATOM 1621 O LYS A 98 -18.439 -5.678 8.742 1.00 7.43 O ATOM 1622 CB LYS A 98 -18.466 -8.210 9.996 1.00 7.63 C ATOM 1623 CG LYS A 98 -18.192 -9.593 10.613 1.00 8.48 C ATOM 1624 CD LYS A 98 -18.050 -9.621 12.141 1.00 9.16 C ATOM 1625 CE LYS A 98 -19.384 -9.791 12.883 1.00 9.83 C ATOM 1626 NZ LYS A 98 -20.374 -8.761 12.517 1.00 9.83 N ATOM 1627 OXT LYS A 98 -16.214 -5.695 8.665 1.00 7.38 O ATOM 0 H LYS A 98 -16.241 -6.387 11.704 1.00 6.96 H new ATOM 0 HA LYS A 98 -16.450 -7.944 10.045 1.00 7.10 H new ATOM 0 HB2 LYS A 98 -19.333 -7.768 10.488 1.00 7.63 H new ATOM 0 HB3 LYS A 98 -18.726 -8.336 8.945 1.00 7.63 H new ATOM 0 HG2 LYS A 98 -19.002 -10.265 10.329 1.00 8.48 H new ATOM 0 HG3 LYS A 98 -17.278 -9.992 10.174 1.00 8.48 H new ATOM 0 HD2 LYS A 98 -17.383 -10.437 12.420 1.00 9.16 H new ATOM 0 HD3 LYS A 98 -17.577 -8.696 12.470 1.00 9.16 H new ATOM 0 HE2 LYS A 98 -19.794 -10.777 12.664 1.00 9.83 H new ATOM 0 HE3 LYS A 98 -19.205 -9.752 13.957 1.00 9.83 H new ATOM 0 HZ1 LYS A 98 -21.130 -8.737 13.231 1.00 9.83 H new ATOM 0 HZ2 LYS A 98 -19.909 -7.832 12.474 1.00 9.83 H new ATOM 0 HZ3 LYS A 98 -20.782 -8.987 11.588 1.00 9.83 H new TER 1641 LYS A 98 ATOM 1642 N MET B 1 -13.021 -6.393 13.066 1.00 4.62 N ATOM 1643 CA MET B 1 -13.821 -5.832 11.966 1.00 3.79 C ATOM 1644 C MET B 1 -12.999 -6.026 10.698 1.00 3.93 C ATOM 1645 O MET B 1 -11.783 -6.099 10.875 1.00 4.89 O ATOM 1646 CB MET B 1 -14.124 -4.339 12.192 1.00 4.05 C ATOM 1647 CG MET B 1 -14.857 -4.052 13.511 1.00 4.32 C ATOM 1648 SD MET B 1 -13.868 -4.236 15.016 1.00 4.81 S ATOM 1649 CE MET B 1 -15.163 -4.127 16.271 1.00 5.86 C ATOM 0 H1 MET B 1 -13.130 -5.799 13.913 1.00 4.62 H new ATOM 0 H2 MET B 1 -13.348 -7.358 13.276 1.00 4.62 H new ATOM 0 H3 MET B 1 -12.019 -6.420 12.788 1.00 4.62 H new ATOM 0 HA MET B 1 -14.786 -6.334 11.898 1.00 3.79 H new ATOM 0 HB2 MET B 1 -13.188 -3.781 12.178 1.00 4.05 H new ATOM 0 HB3 MET B 1 -14.728 -3.970 11.363 1.00 4.05 H new ATOM 0 HG2 MET B 1 -15.245 -3.034 13.476 1.00 4.32 H new ATOM 0 HG3 MET B 1 -15.717 -4.718 13.580 1.00 4.32 H new ATOM 0 HE1 MET B 1 -14.719 -4.223 17.262 1.00 5.86 H new ATOM 0 HE2 MET B 1 -15.667 -3.164 16.191 1.00 5.86 H new ATOM 0 HE3 MET B 1 -15.886 -4.929 16.119 1.00 5.86 H new ATOM 1661 N ALA B 2 -13.617 -6.132 9.510 1.00 3.58 N ATOM 1662 CA ALA B 2 -13.003 -6.362 8.197 1.00 3.85 C ATOM 1663 C ALA B 2 -13.789 -7.405 7.402 1.00 3.25 C ATOM 1664 O ALA B 2 -14.522 -8.208 7.977 1.00 3.55 O ATOM 1665 CB ALA B 2 -11.534 -6.817 8.258 1.00 5.13 C ATOM 0 H ALA B 2 -14.632 -6.053 9.440 1.00 3.58 H new ATOM 0 HA ALA B 2 -13.029 -5.389 7.706 1.00 3.85 H new ATOM 0 HB1 ALA B 2 -11.156 -6.965 7.246 1.00 5.13 H new ATOM 0 HB2 ALA B 2 -10.938 -6.055 8.760 1.00 5.13 H new ATOM 0 HB3 ALA B 2 -11.466 -7.754 8.811 1.00 5.13 H new ATOM 1671 N ALA B 3 -13.526 -7.422 6.089 1.00 3.27 N ATOM 1672 CA ALA B 3 -13.663 -8.568 5.196 1.00 3.37 C ATOM 1673 C ALA B 3 -15.040 -8.697 4.539 1.00 2.47 C ATOM 1674 O ALA B 3 -15.919 -9.390 5.044 1.00 2.82 O ATOM 1675 CB ALA B 3 -13.203 -9.875 5.855 1.00 4.48 C ATOM 0 H ALA B 3 -13.195 -6.590 5.600 1.00 3.27 H new ATOM 0 HA ALA B 3 -12.981 -8.365 4.370 1.00 3.37 H new ATOM 0 HB1 ALA B 3 -13.324 -10.699 5.152 1.00 4.48 H new ATOM 0 HB2 ALA B 3 -12.154 -9.790 6.138 1.00 4.48 H new ATOM 0 HB3 ALA B 3 -13.804 -10.065 6.744 1.00 4.48 H new ATOM 1681 N GLU B 4 -15.174 -8.085 3.360 1.00 2.18 N ATOM 1682 CA GLU B 4 -16.052 -8.522 2.283 1.00 2.03 C ATOM 1683 C GLU B 4 -15.136 -8.573 1.050 1.00 1.89 C ATOM 1684 O GLU B 4 -14.227 -7.747 1.009 1.00 1.83 O ATOM 1685 CB GLU B 4 -17.160 -7.484 2.054 1.00 2.95 C ATOM 1686 CG GLU B 4 -18.209 -7.446 3.174 1.00 3.89 C ATOM 1687 CD GLU B 4 -19.195 -6.297 2.995 1.00 5.31 C ATOM 1688 OE1 GLU B 4 -18.710 -5.171 2.726 1.00 6.13 O ATOM 1689 OE2 GLU B 4 -20.396 -6.505 3.253 1.00 6.01 O ATOM 0 H GLU B 4 -14.653 -7.240 3.125 1.00 2.18 H new ATOM 0 HA GLU B 4 -16.535 -9.476 2.497 1.00 2.03 H new ATOM 0 HB2 GLU B 4 -16.707 -6.497 1.958 1.00 2.95 H new ATOM 0 HB3 GLU B 4 -17.658 -7.699 1.109 1.00 2.95 H new ATOM 0 HG2 GLU B 4 -18.753 -8.390 3.193 1.00 3.89 H new ATOM 0 HG3 GLU B 4 -17.708 -7.347 4.137 1.00 3.89 H new ATOM 1696 N PRO B 5 -15.334 -9.492 0.088 1.00 2.23 N ATOM 1697 CA PRO B 5 -14.697 -9.444 -1.226 1.00 2.30 C ATOM 1698 C PRO B 5 -15.501 -8.490 -2.120 1.00 1.70 C ATOM 1699 O PRO B 5 -16.722 -8.408 -1.975 1.00 2.07 O ATOM 1700 CB PRO B 5 -14.762 -10.883 -1.735 1.00 3.24 C ATOM 1701 CG PRO B 5 -16.084 -11.389 -1.152 1.00 3.50 C ATOM 1702 CD PRO B 5 -16.200 -10.655 0.190 1.00 2.86 C ATOM 0 HA PRO B 5 -13.669 -9.082 -1.209 1.00 2.30 H new ATOM 0 HB2 PRO B 5 -14.757 -10.928 -2.824 1.00 3.24 H new ATOM 0 HB3 PRO B 5 -13.914 -11.474 -1.388 1.00 3.24 H new ATOM 0 HG2 PRO B 5 -16.924 -11.159 -1.807 1.00 3.50 H new ATOM 0 HG3 PRO B 5 -16.073 -12.470 -1.016 1.00 3.50 H new ATOM 0 HD2 PRO B 5 -17.231 -10.358 0.384 1.00 2.86 H new ATOM 0 HD3 PRO B 5 -15.893 -11.299 1.014 1.00 2.86 H new ATOM 1710 N LEU B 6 -14.833 -7.710 -2.977 1.00 1.41 N ATOM 1711 CA LEU B 6 -15.381 -6.481 -3.548 1.00 1.26 C ATOM 1712 C LEU B 6 -14.909 -6.282 -5.002 1.00 1.25 C ATOM 1713 O LEU B 6 -15.184 -7.114 -5.862 1.00 1.68 O ATOM 1714 CB LEU B 6 -15.040 -5.284 -2.626 1.00 1.97 C ATOM 1715 CG LEU B 6 -15.475 -5.456 -1.158 1.00 2.50 C ATOM 1716 CD1 LEU B 6 -14.842 -4.455 -0.182 1.00 3.80 C ATOM 1717 CD2 LEU B 6 -16.999 -5.335 -1.044 1.00 3.68 C ATOM 0 H LEU B 6 -13.887 -7.919 -3.295 1.00 1.41 H new ATOM 0 HA LEU B 6 -16.467 -6.555 -3.599 1.00 1.26 H new ATOM 0 HB2 LEU B 6 -13.963 -5.117 -2.654 1.00 1.97 H new ATOM 0 HB3 LEU B 6 -15.512 -4.388 -3.028 1.00 1.97 H new ATOM 0 HG LEU B 6 -15.123 -6.447 -0.873 1.00 2.50 H new ATOM 0 HD11 LEU B 6 -15.205 -4.651 0.827 1.00 3.80 H new ATOM 0 HD12 LEU B 6 -13.757 -4.561 -0.204 1.00 3.80 H new ATOM 0 HD13 LEU B 6 -15.113 -3.441 -0.474 1.00 3.80 H new ATOM 0 HD21 LEU B 6 -17.297 -5.458 -0.003 1.00 3.68 H new ATOM 0 HD22 LEU B 6 -17.314 -4.353 -1.398 1.00 3.68 H new ATOM 0 HD23 LEU B 6 -17.472 -6.108 -1.650 1.00 3.68 H new ATOM 1729 N THR B 7 -14.274 -5.142 -5.302 1.00 1.13 N ATOM 1730 CA THR B 7 -13.832 -4.750 -6.642 1.00 1.27 C ATOM 1731 C THR B 7 -12.362 -5.123 -6.851 1.00 1.33 C ATOM 1732 O THR B 7 -11.648 -5.336 -5.882 1.00 2.23 O ATOM 1733 CB THR B 7 -14.056 -3.242 -6.821 1.00 1.36 C ATOM 1734 OG1 THR B 7 -13.684 -2.843 -8.124 1.00 1.73 O ATOM 1735 CG2 THR B 7 -13.261 -2.421 -5.797 1.00 1.31 C ATOM 0 H THR B 7 -14.047 -4.445 -4.593 1.00 1.13 H new ATOM 0 HA THR B 7 -14.414 -5.285 -7.393 1.00 1.27 H new ATOM 0 HB THR B 7 -15.118 -3.053 -6.662 1.00 1.36 H new ATOM 0 HG1 THR B 7 -14.407 -2.317 -8.524 1.00 1.73 H new ATOM 0 HG21 THR B 7 -13.447 -1.359 -5.958 1.00 1.31 H new ATOM 0 HG22 THR B 7 -13.573 -2.695 -4.789 1.00 1.31 H new ATOM 0 HG23 THR B 7 -12.197 -2.624 -5.915 1.00 1.31 H new ATOM 1743 N GLU B 8 -11.887 -5.146 -8.098 1.00 1.07 N ATOM 1744 CA GLU B 8 -10.566 -5.646 -8.473 1.00 0.93 C ATOM 1745 C GLU B 8 -9.449 -5.084 -7.578 1.00 0.80 C ATOM 1746 O GLU B 8 -8.694 -5.830 -6.954 1.00 0.83 O ATOM 1747 CB GLU B 8 -10.342 -5.323 -9.957 1.00 1.10 C ATOM 1748 CG GLU B 8 -9.086 -5.984 -10.530 1.00 1.20 C ATOM 1749 CD GLU B 8 -8.964 -5.704 -12.023 1.00 1.50 C ATOM 1750 OE1 GLU B 8 -9.085 -4.512 -12.381 1.00 1.74 O ATOM 1751 OE2 GLU B 8 -8.780 -6.682 -12.777 1.00 2.16 O ATOM 0 H GLU B 8 -12.426 -4.808 -8.895 1.00 1.07 H new ATOM 0 HA GLU B 8 -10.529 -6.725 -8.323 1.00 0.93 H new ATOM 0 HB2 GLU B 8 -11.211 -5.649 -10.529 1.00 1.10 H new ATOM 0 HB3 GLU B 8 -10.266 -4.243 -10.081 1.00 1.10 H new ATOM 0 HG2 GLU B 8 -8.203 -5.610 -10.011 1.00 1.20 H new ATOM 0 HG3 GLU B 8 -9.125 -7.060 -10.359 1.00 1.20 H new ATOM 1758 N LEU B 9 -9.361 -3.751 -7.502 1.00 0.73 N ATOM 1759 CA LEU B 9 -8.349 -3.081 -6.693 1.00 0.73 C ATOM 1760 C LEU B 9 -8.451 -3.491 -5.219 1.00 0.73 C ATOM 1761 O LEU B 9 -7.430 -3.681 -4.558 1.00 0.79 O ATOM 1762 CB LEU B 9 -8.418 -1.556 -6.891 1.00 0.76 C ATOM 1763 CG LEU B 9 -7.564 -1.127 -8.097 1.00 0.79 C ATOM 1764 CD1 LEU B 9 -7.961 0.259 -8.613 1.00 0.97 C ATOM 1765 CD2 LEU B 9 -6.080 -1.058 -7.714 1.00 1.03 C ATOM 0 H LEU B 9 -9.986 -3.115 -7.997 1.00 0.73 H new ATOM 0 HA LEU B 9 -7.365 -3.404 -7.033 1.00 0.73 H new ATOM 0 HB2 LEU B 9 -9.453 -1.250 -7.044 1.00 0.76 H new ATOM 0 HB3 LEU B 9 -8.066 -1.051 -5.991 1.00 0.76 H new ATOM 0 HG LEU B 9 -7.734 -1.874 -8.872 1.00 0.79 H new ATOM 0 HD11 LEU B 9 -7.334 0.524 -9.464 1.00 0.97 H new ATOM 0 HD12 LEU B 9 -9.006 0.247 -8.922 1.00 0.97 H new ATOM 0 HD13 LEU B 9 -7.826 0.995 -7.820 1.00 0.97 H new ATOM 0 HD21 LEU B 9 -5.494 -0.753 -8.581 1.00 1.03 H new ATOM 0 HD22 LEU B 9 -5.945 -0.333 -6.911 1.00 1.03 H new ATOM 0 HD23 LEU B 9 -5.745 -2.039 -7.377 1.00 1.03 H new ATOM 1777 N GLU B 10 -9.672 -3.659 -4.705 1.00 0.73 N ATOM 1778 CA GLU B 10 -9.896 -4.257 -3.415 1.00 0.83 C ATOM 1779 C GLU B 10 -9.340 -5.683 -3.382 1.00 1.02 C ATOM 1780 O GLU B 10 -8.433 -5.948 -2.609 1.00 1.59 O ATOM 1781 CB GLU B 10 -11.385 -4.188 -3.101 1.00 0.90 C ATOM 1782 CG GLU B 10 -11.614 -4.250 -1.603 1.00 2.34 C ATOM 1783 CD GLU B 10 -11.395 -5.650 -1.066 1.00 4.29 C ATOM 1784 OE1 GLU B 10 -12.309 -6.476 -1.249 1.00 4.90 O ATOM 1785 OE2 GLU B 10 -10.298 -5.856 -0.514 1.00 5.71 O ATOM 0 H GLU B 10 -10.527 -3.378 -5.185 1.00 0.73 H new ATOM 0 HA GLU B 10 -9.363 -3.710 -2.638 1.00 0.83 H new ATOM 0 HB2 GLU B 10 -11.805 -3.265 -3.501 1.00 0.90 H new ATOM 0 HB3 GLU B 10 -11.904 -5.013 -3.589 1.00 0.90 H new ATOM 0 HG2 GLU B 10 -10.939 -3.557 -1.101 1.00 2.34 H new ATOM 0 HG3 GLU B 10 -12.630 -3.926 -1.375 1.00 2.34 H new ATOM 1792 N GLU B 11 -9.812 -6.598 -4.232 1.00 0.79 N ATOM 1793 CA GLU B 11 -9.374 -7.990 -4.205 1.00 0.83 C ATOM 1794 C GLU B 11 -7.836 -8.075 -4.075 1.00 0.86 C ATOM 1795 O GLU B 11 -7.300 -8.874 -3.301 1.00 1.04 O ATOM 1796 CB GLU B 11 -9.818 -8.722 -5.485 1.00 0.96 C ATOM 1797 CG GLU B 11 -11.336 -8.775 -5.708 1.00 1.69 C ATOM 1798 CD GLU B 11 -12.044 -9.654 -4.688 1.00 2.94 C ATOM 1799 OE1 GLU B 11 -11.913 -10.889 -4.819 1.00 3.36 O ATOM 1800 OE2 GLU B 11 -12.713 -9.075 -3.806 1.00 4.26 O ATOM 0 H GLU B 11 -10.504 -6.394 -4.953 1.00 0.79 H new ATOM 0 HA GLU B 11 -9.833 -8.468 -3.340 1.00 0.83 H new ATOM 0 HB2 GLU B 11 -9.357 -8.234 -6.343 1.00 0.96 H new ATOM 0 HB3 GLU B 11 -9.435 -9.742 -5.454 1.00 0.96 H new ATOM 0 HG2 GLU B 11 -11.743 -7.765 -5.657 1.00 1.69 H new ATOM 0 HG3 GLU B 11 -11.540 -9.151 -6.711 1.00 1.69 H new ATOM 1807 N SER B 12 -7.123 -7.211 -4.819 1.00 0.77 N ATOM 1808 CA SER B 12 -5.668 -7.129 -4.757 1.00 0.75 C ATOM 1809 C SER B 12 -5.096 -6.681 -3.400 1.00 0.77 C ATOM 1810 O SER B 12 -3.999 -7.128 -3.069 1.00 0.90 O ATOM 1811 CB SER B 12 -5.098 -6.321 -5.928 1.00 0.85 C ATOM 1812 OG SER B 12 -5.724 -5.067 -6.093 1.00 1.40 O ATOM 0 H SER B 12 -7.546 -6.555 -5.476 1.00 0.77 H new ATOM 0 HA SER B 12 -5.325 -8.159 -4.858 1.00 0.75 H new ATOM 0 HB2 SER B 12 -4.030 -6.169 -5.771 1.00 0.85 H new ATOM 0 HB3 SER B 12 -5.206 -6.898 -6.846 1.00 0.85 H new ATOM 0 HG SER B 12 -6.279 -4.873 -5.309 1.00 1.40 H new ATOM 1818 N ILE B 13 -5.757 -5.831 -2.595 1.00 0.80 N ATOM 1819 CA ILE B 13 -5.357 -5.710 -1.200 1.00 1.05 C ATOM 1820 C ILE B 13 -5.853 -6.916 -0.410 1.00 1.16 C ATOM 1821 O ILE B 13 -5.080 -7.397 0.406 1.00 1.44 O ATOM 1822 CB ILE B 13 -5.777 -4.378 -0.554 1.00 1.19 C ATOM 1823 CG1 ILE B 13 -7.234 -4.086 -0.877 1.00 1.13 C ATOM 1824 CG2 ILE B 13 -4.832 -3.267 -1.033 1.00 1.31 C ATOM 1825 CD1 ILE B 13 -7.844 -2.993 -0.043 1.00 1.09 C ATOM 0 H ILE B 13 -6.540 -5.242 -2.880 1.00 0.80 H new ATOM 0 HA ILE B 13 -4.267 -5.699 -1.175 1.00 1.05 H new ATOM 0 HB ILE B 13 -5.697 -4.436 0.532 1.00 1.19 H new ATOM 0 HG12 ILE B 13 -7.313 -3.812 -1.929 1.00 1.13 H new ATOM 0 HG13 ILE B 13 -7.815 -4.998 -0.741 1.00 1.13 H new ATOM 0 HG21 ILE B 13 -5.124 -2.320 -0.579 1.00 1.31 H new ATOM 0 HG22 ILE B 13 -3.810 -3.509 -0.743 1.00 1.31 H new ATOM 0 HG23 ILE B 13 -4.891 -3.182 -2.118 1.00 1.31 H new ATOM 0 HD11 ILE B 13 -8.884 -2.848 -0.337 1.00 1.09 H new ATOM 0 HD12 ILE B 13 -7.800 -3.271 1.010 1.00 1.09 H new ATOM 0 HD13 ILE B 13 -7.291 -2.066 -0.197 1.00 1.09 H new ATOM 1837 N GLU B 14 -7.080 -7.422 -0.616 1.00 1.00 N ATOM 1838 CA GLU B 14 -7.629 -8.495 0.215 1.00 1.10 C ATOM 1839 C GLU B 14 -6.591 -9.613 0.381 1.00 1.15 C ATOM 1840 O GLU B 14 -6.168 -9.896 1.501 1.00 1.22 O ATOM 1841 CB GLU B 14 -8.972 -9.032 -0.309 1.00 1.21 C ATOM 1842 CG GLU B 14 -9.793 -9.674 0.829 1.00 1.46 C ATOM 1843 CD GLU B 14 -9.121 -10.872 1.497 1.00 1.85 C ATOM 1844 OE1 GLU B 14 -8.650 -11.755 0.750 1.00 2.88 O ATOM 1845 OE2 GLU B 14 -9.073 -10.876 2.748 1.00 2.10 O ATOM 0 H GLU B 14 -7.708 -7.102 -1.353 1.00 1.00 H new ATOM 0 HA GLU B 14 -7.848 -8.072 1.196 1.00 1.10 H new ATOM 0 HB2 GLU B 14 -9.542 -8.219 -0.759 1.00 1.21 H new ATOM 0 HB3 GLU B 14 -8.793 -9.768 -1.093 1.00 1.21 H new ATOM 0 HG2 GLU B 14 -9.994 -8.917 1.587 1.00 1.46 H new ATOM 0 HG3 GLU B 14 -10.757 -9.990 0.431 1.00 1.46 H new ATOM 1852 N THR B 15 -6.099 -10.165 -0.739 1.00 1.13 N ATOM 1853 CA THR B 15 -5.075 -11.215 -0.730 1.00 1.12 C ATOM 1854 C THR B 15 -3.897 -10.855 0.195 1.00 1.15 C ATOM 1855 O THR B 15 -3.404 -11.665 0.988 1.00 1.22 O ATOM 1856 CB THR B 15 -4.619 -11.540 -2.166 1.00 1.02 C ATOM 1857 OG1 THR B 15 -3.765 -12.664 -2.152 1.00 1.29 O ATOM 1858 CG2 THR B 15 -3.895 -10.384 -2.865 1.00 0.83 C ATOM 0 H THR B 15 -6.401 -9.894 -1.675 1.00 1.13 H new ATOM 0 HA THR B 15 -5.519 -12.120 -0.317 1.00 1.12 H new ATOM 0 HB THR B 15 -5.530 -11.737 -2.732 1.00 1.02 H new ATOM 0 HG1 THR B 15 -3.478 -12.869 -3.067 1.00 1.29 H new ATOM 0 HG21 THR B 15 -3.606 -10.691 -3.870 1.00 0.83 H new ATOM 0 HG22 THR B 15 -4.559 -9.522 -2.925 1.00 0.83 H new ATOM 0 HG23 THR B 15 -3.004 -10.116 -2.297 1.00 0.83 H new ATOM 1866 N VAL B 16 -3.456 -9.601 0.121 1.00 1.12 N ATOM 1867 CA VAL B 16 -2.335 -9.086 0.876 1.00 1.07 C ATOM 1868 C VAL B 16 -2.725 -8.916 2.351 1.00 1.10 C ATOM 1869 O VAL B 16 -1.938 -9.233 3.238 1.00 1.11 O ATOM 1870 CB VAL B 16 -1.767 -7.832 0.167 1.00 1.10 C ATOM 1871 CG1 VAL B 16 -1.972 -6.501 0.898 1.00 1.19 C ATOM 1872 CG2 VAL B 16 -0.297 -8.077 -0.168 1.00 1.53 C ATOM 0 H VAL B 16 -3.886 -8.902 -0.485 1.00 1.12 H new ATOM 0 HA VAL B 16 -1.506 -9.793 0.900 1.00 1.07 H new ATOM 0 HB VAL B 16 -2.354 -7.703 -0.742 1.00 1.10 H new ATOM 0 HG11 VAL B 16 -1.535 -5.693 0.311 1.00 1.19 H new ATOM 0 HG12 VAL B 16 -3.039 -6.319 1.030 1.00 1.19 H new ATOM 0 HG13 VAL B 16 -1.488 -6.544 1.874 1.00 1.19 H new ATOM 0 HG21 VAL B 16 0.113 -7.200 -0.668 1.00 1.53 H new ATOM 0 HG22 VAL B 16 0.259 -8.265 0.751 1.00 1.53 H new ATOM 0 HG23 VAL B 16 -0.213 -8.942 -0.826 1.00 1.53 H new ATOM 1882 N VAL B 17 -3.952 -8.478 2.634 1.00 1.18 N ATOM 1883 CA VAL B 17 -4.479 -8.364 3.983 1.00 1.21 C ATOM 1884 C VAL B 17 -4.517 -9.748 4.629 1.00 1.24 C ATOM 1885 O VAL B 17 -4.001 -9.912 5.733 1.00 1.25 O ATOM 1886 CB VAL B 17 -5.849 -7.658 3.976 1.00 1.25 C ATOM 1887 CG1 VAL B 17 -6.491 -7.674 5.369 1.00 1.23 C ATOM 1888 CG2 VAL B 17 -5.679 -6.193 3.547 1.00 1.29 C ATOM 0 H VAL B 17 -4.615 -8.189 1.915 1.00 1.18 H new ATOM 0 HA VAL B 17 -3.824 -7.738 4.590 1.00 1.21 H new ATOM 0 HB VAL B 17 -6.491 -8.194 3.277 1.00 1.25 H new ATOM 0 HG11 VAL B 17 -7.456 -7.168 5.331 1.00 1.23 H new ATOM 0 HG12 VAL B 17 -6.634 -8.705 5.692 1.00 1.23 H new ATOM 0 HG13 VAL B 17 -5.840 -7.160 6.076 1.00 1.23 H new ATOM 0 HG21 VAL B 17 -6.651 -5.700 3.544 1.00 1.29 H new ATOM 0 HG22 VAL B 17 -5.016 -5.684 4.246 1.00 1.29 H new ATOM 0 HG23 VAL B 17 -5.250 -6.155 2.546 1.00 1.29 H new ATOM 1898 N THR B 18 -5.092 -10.754 3.964 1.00 1.25 N ATOM 1899 CA THR B 18 -5.126 -12.101 4.521 1.00 1.30 C ATOM 1900 C THR B 18 -3.701 -12.641 4.722 1.00 1.29 C ATOM 1901 O THR B 18 -3.408 -13.174 5.798 1.00 1.34 O ATOM 1902 CB THR B 18 -6.085 -13.027 3.749 1.00 1.36 C ATOM 1903 OG1 THR B 18 -6.164 -14.287 4.388 1.00 1.40 O ATOM 1904 CG2 THR B 18 -5.712 -13.233 2.284 1.00 1.46 C ATOM 0 H THR B 18 -5.535 -10.659 3.050 1.00 1.25 H new ATOM 0 HA THR B 18 -5.561 -12.063 5.520 1.00 1.30 H new ATOM 0 HB THR B 18 -7.051 -12.522 3.758 1.00 1.36 H new ATOM 0 HG1 THR B 18 -6.777 -14.868 3.891 1.00 1.40 H new ATOM 0 HG21 THR B 18 -6.437 -13.897 1.814 1.00 1.46 H new ATOM 0 HG22 THR B 18 -5.713 -12.272 1.770 1.00 1.46 H new ATOM 0 HG23 THR B 18 -4.719 -13.677 2.220 1.00 1.46 H new ATOM 1912 N THR B 19 -2.795 -12.448 3.745 1.00 1.26 N ATOM 1913 CA THR B 19 -1.372 -12.737 3.921 1.00 1.20 C ATOM 1914 C THR B 19 -0.885 -12.123 5.237 1.00 1.32 C ATOM 1915 O THR B 19 -0.413 -12.841 6.119 1.00 1.44 O ATOM 1916 CB THR B 19 -0.563 -12.238 2.708 1.00 1.12 C ATOM 1917 OG1 THR B 19 -0.998 -12.914 1.547 1.00 1.05 O ATOM 1918 CG2 THR B 19 0.952 -12.450 2.832 1.00 1.03 C ATOM 0 H THR B 19 -3.033 -12.090 2.820 1.00 1.26 H new ATOM 0 HA THR B 19 -1.220 -13.815 3.977 1.00 1.20 H new ATOM 0 HB THR B 19 -0.739 -11.164 2.656 1.00 1.12 H new ATOM 0 HG1 THR B 19 -1.859 -12.546 1.257 1.00 1.05 H new ATOM 0 HG21 THR B 19 1.447 -12.072 1.937 1.00 1.03 H new ATOM 0 HG22 THR B 19 1.324 -11.915 3.706 1.00 1.03 H new ATOM 0 HG23 THR B 19 1.163 -13.514 2.941 1.00 1.03 H new ATOM 1926 N PHE B 20 -1.031 -10.805 5.393 1.00 1.31 N ATOM 1927 CA PHE B 20 -0.640 -10.102 6.605 1.00 1.36 C ATOM 1928 C PHE B 20 -1.286 -10.679 7.855 1.00 1.40 C ATOM 1929 O PHE B 20 -0.604 -10.811 8.861 1.00 1.43 O ATOM 1930 CB PHE B 20 -0.957 -8.607 6.532 1.00 1.35 C ATOM 1931 CG PHE B 20 -0.321 -7.822 5.404 1.00 2.18 C ATOM 1932 CD1 PHE B 20 0.805 -8.312 4.710 1.00 3.87 C ATOM 1933 CD2 PHE B 20 -0.903 -6.600 5.016 1.00 3.29 C ATOM 1934 CE1 PHE B 20 1.253 -7.656 3.555 1.00 5.84 C ATOM 1935 CE2 PHE B 20 -0.360 -5.876 3.945 1.00 5.13 C ATOM 1936 CZ PHE B 20 0.643 -6.460 3.154 1.00 6.31 C ATOM 0 H PHE B 20 -1.426 -10.198 4.675 1.00 1.31 H new ATOM 0 HA PHE B 20 0.439 -10.239 6.676 1.00 1.36 H new ATOM 0 HB2 PHE B 20 -2.038 -8.494 6.455 1.00 1.35 H new ATOM 0 HB3 PHE B 20 -0.655 -8.151 7.474 1.00 1.35 H new ATOM 0 HD1 PHE B 20 1.321 -9.191 5.068 1.00 3.87 H new ATOM 0 HD2 PHE B 20 -1.766 -6.221 5.543 1.00 3.29 H new ATOM 0 HE1 PHE B 20 2.065 -8.071 2.976 1.00 5.84 H new ATOM 0 HE2 PHE B 20 -0.710 -4.877 3.730 1.00 5.13 H new ATOM 0 HZ PHE B 20 0.945 -5.985 2.232 1.00 6.31 H new ATOM 1946 N PHE B 21 -2.581 -10.985 7.847 1.00 1.43 N ATOM 1947 CA PHE B 21 -3.240 -11.474 9.050 1.00 1.45 C ATOM 1948 C PHE B 21 -2.585 -12.773 9.517 1.00 1.38 C ATOM 1949 O PHE B 21 -2.179 -12.867 10.676 1.00 1.30 O ATOM 1950 CB PHE B 21 -4.751 -11.646 8.831 1.00 1.61 C ATOM 1951 CG PHE B 21 -5.600 -10.421 9.136 1.00 1.53 C ATOM 1952 CD1 PHE B 21 -5.214 -9.141 8.692 1.00 3.04 C ATOM 1953 CD2 PHE B 21 -6.829 -10.577 9.806 1.00 2.33 C ATOM 1954 CE1 PHE B 21 -6.043 -8.030 8.928 1.00 4.42 C ATOM 1955 CE2 PHE B 21 -7.665 -9.469 10.025 1.00 3.09 C ATOM 1956 CZ PHE B 21 -7.266 -8.192 9.600 1.00 4.08 C ATOM 0 H PHE B 21 -3.187 -10.904 7.030 1.00 1.43 H new ATOM 0 HA PHE B 21 -3.119 -10.730 9.837 1.00 1.45 H new ATOM 0 HB2 PHE B 21 -4.920 -11.934 7.793 1.00 1.61 H new ATOM 0 HB3 PHE B 21 -5.099 -12.472 9.452 1.00 1.61 H new ATOM 0 HD1 PHE B 21 -4.278 -9.013 8.169 1.00 3.04 H new ATOM 0 HD2 PHE B 21 -7.131 -11.554 10.154 1.00 2.33 H new ATOM 0 HE1 PHE B 21 -5.739 -7.050 8.592 1.00 4.42 H new ATOM 0 HE2 PHE B 21 -8.615 -9.600 10.521 1.00 3.09 H new ATOM 0 HZ PHE B 21 -7.897 -7.336 9.789 1.00 4.08 H new ATOM 1966 N THR B 22 -2.473 -13.774 8.637 1.00 1.47 N ATOM 1967 CA THR B 22 -1.863 -15.034 9.054 1.00 1.49 C ATOM 1968 C THR B 22 -0.379 -14.818 9.382 1.00 1.29 C ATOM 1969 O THR B 22 0.120 -15.346 10.374 1.00 1.25 O ATOM 1970 CB THR B 22 -2.145 -16.173 8.057 1.00 1.82 C ATOM 1971 OG1 THR B 22 -1.835 -17.430 8.642 1.00 3.50 O ATOM 1972 CG2 THR B 22 -1.393 -16.033 6.730 1.00 1.65 C ATOM 0 H THR B 22 -2.785 -13.739 7.667 1.00 1.47 H new ATOM 0 HA THR B 22 -2.333 -15.372 9.977 1.00 1.49 H new ATOM 0 HB THR B 22 -3.209 -16.109 7.827 1.00 1.82 H new ATOM 0 HG1 THR B 22 -2.020 -18.145 7.998 1.00 3.50 H new ATOM 0 HG21 THR B 22 -1.642 -16.872 6.080 1.00 1.65 H new ATOM 0 HG22 THR B 22 -1.681 -15.100 6.245 1.00 1.65 H new ATOM 0 HG23 THR B 22 -0.320 -16.027 6.919 1.00 1.65 H new ATOM 1980 N PHE B 23 0.331 -14.019 8.587 1.00 1.29 N ATOM 1981 CA PHE B 23 1.744 -13.757 8.813 1.00 1.22 C ATOM 1982 C PHE B 23 1.978 -13.052 10.151 1.00 1.02 C ATOM 1983 O PHE B 23 2.632 -13.582 11.042 1.00 1.15 O ATOM 1984 CB PHE B 23 2.273 -12.925 7.636 1.00 1.51 C ATOM 1985 CG PHE B 23 3.542 -12.151 7.906 1.00 1.67 C ATOM 1986 CD1 PHE B 23 4.659 -12.805 8.450 1.00 2.43 C ATOM 1987 CD2 PHE B 23 3.558 -10.753 7.738 1.00 3.55 C ATOM 1988 CE1 PHE B 23 5.782 -12.060 8.833 1.00 4.10 C ATOM 1989 CE2 PHE B 23 4.729 -10.030 8.006 1.00 5.15 C ATOM 1990 CZ PHE B 23 5.830 -10.679 8.583 1.00 5.25 C ATOM 0 H PHE B 23 -0.057 -13.540 7.775 1.00 1.29 H new ATOM 0 HA PHE B 23 2.287 -14.700 8.868 1.00 1.22 H new ATOM 0 HB2 PHE B 23 2.447 -13.592 6.792 1.00 1.51 H new ATOM 0 HB3 PHE B 23 1.497 -12.222 7.332 1.00 1.51 H new ATOM 0 HD1 PHE B 23 4.653 -13.878 8.573 1.00 2.43 H new ATOM 0 HD2 PHE B 23 2.669 -10.238 7.403 1.00 3.55 H new ATOM 0 HE1 PHE B 23 6.612 -12.549 9.321 1.00 4.10 H new ATOM 0 HE2 PHE B 23 4.783 -8.978 7.769 1.00 5.15 H new ATOM 0 HZ PHE B 23 6.716 -10.116 8.836 1.00 5.25 H new ATOM 2000 N ALA B 24 1.422 -11.856 10.306 1.00 0.80 N ATOM 2001 CA ALA B 24 1.642 -10.958 11.419 1.00 0.81 C ATOM 2002 C ALA B 24 1.145 -11.542 12.724 1.00 0.80 C ATOM 2003 O ALA B 24 1.572 -11.082 13.785 1.00 0.86 O ATOM 2004 CB ALA B 24 0.985 -9.602 11.151 1.00 1.00 C ATOM 0 H ALA B 24 0.773 -11.472 9.619 1.00 0.80 H new ATOM 0 HA ALA B 24 2.718 -10.816 11.516 1.00 0.81 H new ATOM 0 HB1 ALA B 24 1.160 -8.939 11.998 1.00 1.00 H new ATOM 0 HB2 ALA B 24 1.414 -9.162 10.251 1.00 1.00 H new ATOM 0 HB3 ALA B 24 -0.088 -9.738 11.013 1.00 1.00 H new ATOM 2010 N ARG B 25 0.254 -12.534 12.662 1.00 0.86 N ATOM 2011 CA ARG B 25 -0.129 -13.330 13.818 1.00 1.02 C ATOM 2012 C ARG B 25 1.100 -13.895 14.531 1.00 1.04 C ATOM 2013 O ARG B 25 1.016 -14.147 15.730 1.00 1.25 O ATOM 2014 CB ARG B 25 -1.153 -14.399 13.379 1.00 1.12 C ATOM 2015 CG ARG B 25 -1.153 -15.736 14.135 1.00 2.12 C ATOM 2016 CD ARG B 25 0.022 -16.653 13.739 1.00 1.84 C ATOM 2017 NE ARG B 25 -0.431 -18.020 13.415 1.00 2.17 N ATOM 2018 CZ ARG B 25 -0.904 -18.434 12.225 1.00 2.94 C ATOM 2019 NH1 ARG B 25 -0.915 -17.611 11.176 1.00 3.75 N ATOM 2020 NH2 ARG B 25 -1.379 -19.677 12.094 1.00 4.17 N ATOM 0 H ARG B 25 -0.222 -12.805 11.801 1.00 0.86 H new ATOM 0 HA ARG B 25 -0.620 -12.704 14.563 1.00 1.02 H new ATOM 0 HB2 ARG B 25 -2.149 -13.965 13.464 1.00 1.12 H new ATOM 0 HB3 ARG B 25 -0.986 -14.610 12.323 1.00 1.12 H new ATOM 0 HG2 ARG B 25 -1.109 -15.541 15.207 1.00 2.12 H new ATOM 0 HG3 ARG B 25 -2.092 -16.255 13.944 1.00 2.12 H new ATOM 0 HD2 ARG B 25 0.540 -16.229 12.879 1.00 1.84 H new ATOM 0 HD3 ARG B 25 0.742 -16.693 14.556 1.00 1.84 H new ATOM 0 HE ARG B 25 -0.381 -18.714 14.161 1.00 2.17 H new ATOM 0 HH11 ARG B 25 -0.563 -16.658 11.271 1.00 3.75 H new ATOM 0 HH12 ARG B 25 -1.275 -17.934 10.278 1.00 3.75 H new ATOM 0 HH21 ARG B 25 -1.382 -20.309 12.895 1.00 4.17 H new ATOM 0 HH22 ARG B 25 -1.738 -19.993 11.193 1.00 4.17 H new ATOM 2034 N GLN B 26 2.209 -14.095 13.806 1.00 0.95 N ATOM 2035 CA GLN B 26 3.251 -15.035 14.176 1.00 0.97 C ATOM 2036 C GLN B 26 3.589 -15.110 15.670 1.00 1.07 C ATOM 2037 O GLN B 26 3.337 -16.153 16.271 1.00 1.16 O ATOM 2038 CB GLN B 26 4.519 -14.642 13.395 1.00 0.93 C ATOM 2039 CG GLN B 26 5.198 -15.802 12.690 1.00 1.10 C ATOM 2040 CD GLN B 26 4.436 -16.279 11.453 1.00 1.37 C ATOM 2041 OE1 GLN B 26 3.346 -16.836 11.553 1.00 1.69 O ATOM 2042 NE2 GLN B 26 5.010 -16.091 10.268 1.00 1.86 N ATOM 0 H GLN B 26 2.401 -13.597 12.937 1.00 0.95 H new ATOM 0 HA GLN B 26 2.873 -16.027 13.930 1.00 0.97 H new ATOM 0 HB2 GLN B 26 4.257 -13.885 12.656 1.00 0.93 H new ATOM 0 HB3 GLN B 26 5.229 -14.184 14.083 1.00 0.93 H new ATOM 0 HG2 GLN B 26 6.204 -15.503 12.397 1.00 1.10 H new ATOM 0 HG3 GLN B 26 5.303 -16.633 13.388 1.00 1.10 H new ATOM 0 HE21 GLN B 26 5.916 -15.626 10.208 1.00 1.86 H new ATOM 0 HE22 GLN B 26 4.544 -16.412 9.419 1.00 1.86 H new ATOM 2051 N GLU B 27 4.196 -14.063 16.247 1.00 1.11 N ATOM 2052 CA GLU B 27 4.691 -14.200 17.611 1.00 1.18 C ATOM 2053 C GLU B 27 3.667 -13.759 18.657 1.00 1.23 C ATOM 2054 O GLU B 27 2.949 -14.569 19.237 1.00 1.32 O ATOM 2055 CB GLU B 27 6.002 -13.405 17.719 1.00 1.35 C ATOM 2056 CG GLU B 27 7.121 -13.961 16.830 1.00 1.61 C ATOM 2057 CD GLU B 27 8.376 -13.115 17.029 1.00 2.16 C ATOM 2058 OE1 GLU B 27 8.273 -11.883 16.829 1.00 2.61 O ATOM 2059 OE2 GLU B 27 9.398 -13.706 17.445 1.00 2.85 O ATOM 0 H GLU B 27 4.349 -13.154 15.810 1.00 1.11 H new ATOM 0 HA GLU B 27 4.874 -15.253 17.823 1.00 1.18 H new ATOM 0 HB2 GLU B 27 5.813 -12.367 17.447 1.00 1.35 H new ATOM 0 HB3 GLU B 27 6.336 -13.407 18.757 1.00 1.35 H new ATOM 0 HG2 GLU B 27 7.323 -15.001 17.085 1.00 1.61 H new ATOM 0 HG3 GLU B 27 6.816 -13.943 15.784 1.00 1.61 H new ATOM 2066 N GLY B 28 3.533 -12.439 18.828 1.00 1.55 N ATOM 2067 CA GLY B 28 2.368 -11.716 19.287 1.00 1.72 C ATOM 2068 C GLY B 28 1.525 -11.255 18.108 1.00 1.27 C ATOM 2069 O GLY B 28 2.079 -10.994 17.037 1.00 1.28 O ATOM 0 H GLY B 28 4.308 -11.807 18.629 1.00 1.55 H new ATOM 0 HA2 GLY B 28 1.772 -12.353 19.940 1.00 1.72 H new ATOM 0 HA3 GLY B 28 2.678 -10.854 19.878 1.00 1.72 H new ATOM 2073 N ARG B 29 0.259 -10.931 18.380 1.00 1.37 N ATOM 2074 CA ARG B 29 -0.409 -9.743 17.853 1.00 1.32 C ATOM 2075 C ARG B 29 -0.408 -9.620 16.326 1.00 1.20 C ATOM 2076 O ARG B 29 0.594 -9.234 15.705 1.00 1.03 O ATOM 2077 CB ARG B 29 0.134 -8.486 18.542 1.00 1.32 C ATOM 2078 CG ARG B 29 -0.842 -7.299 18.442 1.00 2.15 C ATOM 2079 CD ARG B 29 -0.958 -6.568 19.786 1.00 1.69 C ATOM 2080 NE ARG B 29 -1.620 -7.419 20.794 1.00 2.30 N ATOM 2081 CZ ARG B 29 -1.780 -7.111 22.092 1.00 2.79 C ATOM 2082 NH1 ARG B 29 -1.314 -5.950 22.562 1.00 2.86 N ATOM 2083 NH2 ARG B 29 -2.405 -7.969 22.908 1.00 4.17 N ATOM 0 H ARG B 29 -0.339 -11.497 18.982 1.00 1.37 H new ATOM 0 HA ARG B 29 -1.466 -9.857 18.096 1.00 1.32 H new ATOM 0 HB2 ARG B 29 0.330 -8.705 19.592 1.00 1.32 H new ATOM 0 HB3 ARG B 29 1.087 -8.209 18.091 1.00 1.32 H new ATOM 0 HG2 ARG B 29 -0.499 -6.605 17.675 1.00 2.15 H new ATOM 0 HG3 ARG B 29 -1.824 -7.656 18.132 1.00 2.15 H new ATOM 0 HD2 ARG B 29 0.034 -6.286 20.138 1.00 1.69 H new ATOM 0 HD3 ARG B 29 -1.524 -5.646 19.655 1.00 1.69 H new ATOM 0 HE ARG B 29 -1.987 -8.317 20.479 1.00 2.30 H new ATOM 0 HH11 ARG B 29 -0.838 -5.300 21.936 1.00 2.86 H new ATOM 0 HH12 ARG B 29 -1.434 -5.713 23.547 1.00 2.86 H new ATOM 0 HH21 ARG B 29 -2.758 -8.854 22.544 1.00 4.17 H new ATOM 0 HH22 ARG B 29 -2.528 -7.738 23.894 1.00 4.17 H new ATOM 2097 N LYS B 30 -1.560 -9.948 15.733 1.00 1.41 N ATOM 2098 CA LYS B 30 -1.750 -10.021 14.296 1.00 1.38 C ATOM 2099 C LYS B 30 -1.886 -8.669 13.588 1.00 1.49 C ATOM 2100 O LYS B 30 -2.237 -8.657 12.409 1.00 2.15 O ATOM 2101 CB LYS B 30 -2.965 -10.909 13.974 1.00 1.66 C ATOM 2102 CG LYS B 30 -4.269 -10.390 14.605 1.00 1.91 C ATOM 2103 CD LYS B 30 -5.482 -10.475 13.660 1.00 3.01 C ATOM 2104 CE LYS B 30 -5.825 -9.117 13.025 1.00 4.57 C ATOM 2105 NZ LYS B 30 -4.875 -8.684 11.978 1.00 6.58 N ATOM 0 H LYS B 30 -2.403 -10.175 16.260 1.00 1.41 H new ATOM 0 HA LYS B 30 -0.832 -10.458 13.904 1.00 1.38 H new ATOM 0 HB2 LYS B 30 -3.089 -10.969 12.893 1.00 1.66 H new ATOM 0 HB3 LYS B 30 -2.773 -11.922 14.329 1.00 1.66 H new ATOM 0 HG2 LYS B 30 -4.480 -10.963 15.508 1.00 1.91 H new ATOM 0 HG3 LYS B 30 -4.128 -9.353 14.911 1.00 1.91 H new ATOM 0 HD2 LYS B 30 -5.276 -11.200 12.872 1.00 3.01 H new ATOM 0 HD3 LYS B 30 -6.346 -10.843 14.214 1.00 3.01 H new ATOM 0 HE2 LYS B 30 -6.825 -9.172 12.594 1.00 4.57 H new ATOM 0 HE3 LYS B 30 -5.857 -8.359 13.808 1.00 4.57 H new ATOM 0 HZ1 LYS B 30 -4.781 -7.649 12.002 1.00 6.58 H new ATOM 0 HZ2 LYS B 30 -3.947 -9.120 12.150 1.00 6.58 H new ATOM 0 HZ3 LYS B 30 -5.229 -8.978 11.045 1.00 6.58 H new ATOM 2119 N ASP B 31 -1.692 -7.546 14.284 1.00 1.34 N ATOM 2120 CA ASP B 31 -1.777 -6.208 13.695 1.00 1.43 C ATOM 2121 C ASP B 31 -0.481 -5.426 13.923 1.00 1.30 C ATOM 2122 O ASP B 31 -0.435 -4.221 13.672 1.00 1.97 O ATOM 2123 CB ASP B 31 -2.981 -5.449 14.273 1.00 1.82 C ATOM 2124 CG ASP B 31 -4.318 -5.966 13.781 1.00 2.83 C ATOM 2125 OD1 ASP B 31 -4.493 -6.158 12.554 1.00 4.08 O ATOM 2126 OD2 ASP B 31 -5.235 -6.092 14.616 1.00 3.39 O ATOM 0 H ASP B 31 -1.470 -7.540 15.280 1.00 1.34 H new ATOM 0 HA ASP B 31 -1.917 -6.314 12.619 1.00 1.43 H new ATOM 0 HB2 ASP B 31 -2.953 -5.515 15.361 1.00 1.82 H new ATOM 0 HB3 ASP B 31 -2.892 -4.394 14.016 1.00 1.82 H new ATOM 2131 N SER B 32 0.580 -6.097 14.379 1.00 1.11 N ATOM 2132 CA SER B 32 1.893 -5.496 14.488 1.00 1.01 C ATOM 2133 C SER B 32 2.951 -6.527 14.120 1.00 0.97 C ATOM 2134 O SER B 32 2.811 -7.720 14.435 1.00 0.96 O ATOM 2135 CB SER B 32 2.108 -4.923 15.892 1.00 1.14 C ATOM 2136 OG SER B 32 1.828 -5.884 16.891 1.00 1.57 O ATOM 0 H SER B 32 0.543 -7.071 14.680 1.00 1.11 H new ATOM 0 HA SER B 32 1.976 -4.662 13.791 1.00 1.01 H new ATOM 0 HB2 SER B 32 3.138 -4.581 15.993 1.00 1.14 H new ATOM 0 HB3 SER B 32 1.468 -4.052 16.033 1.00 1.14 H new ATOM 0 HG SER B 32 1.513 -5.431 17.701 1.00 1.57 H new ATOM 2142 N LEU B 33 3.997 -6.063 13.436 1.00 1.05 N ATOM 2143 CA LEU B 33 5.215 -6.827 13.231 1.00 1.06 C ATOM 2144 C LEU B 33 6.269 -6.321 14.212 1.00 1.04 C ATOM 2145 O LEU B 33 6.210 -5.174 14.649 1.00 1.16 O ATOM 2146 CB LEU B 33 5.684 -6.782 11.766 1.00 1.15 C ATOM 2147 CG LEU B 33 4.850 -7.604 10.766 1.00 1.24 C ATOM 2148 CD1 LEU B 33 4.723 -9.071 11.175 1.00 2.24 C ATOM 2149 CD2 LEU B 33 3.461 -7.026 10.492 1.00 1.55 C ATOM 0 H LEU B 33 4.017 -5.138 13.007 1.00 1.05 H new ATOM 0 HA LEU B 33 5.029 -7.882 13.431 1.00 1.06 H new ATOM 0 HB2 LEU B 33 5.688 -5.743 11.438 1.00 1.15 H new ATOM 0 HB3 LEU B 33 6.715 -7.133 11.724 1.00 1.15 H new ATOM 0 HG LEU B 33 5.416 -7.543 9.837 1.00 1.24 H new ATOM 0 HD11 LEU B 33 4.126 -9.604 10.436 1.00 2.24 H new ATOM 0 HD12 LEU B 33 5.715 -9.520 11.233 1.00 2.24 H new ATOM 0 HD13 LEU B 33 4.238 -9.137 12.149 1.00 2.24 H new ATOM 0 HD21 LEU B 33 2.937 -7.662 9.778 1.00 1.55 H new ATOM 0 HD22 LEU B 33 2.895 -6.982 11.423 1.00 1.55 H new ATOM 0 HD23 LEU B 33 3.560 -6.022 10.079 1.00 1.55 H new ATOM 2161 N SER B 34 7.220 -7.182 14.556 1.00 1.20 N ATOM 2162 CA SER B 34 8.379 -6.864 15.372 1.00 1.24 C ATOM 2163 C SER B 34 9.585 -7.527 14.712 1.00 1.14 C ATOM 2164 O SER B 34 9.417 -8.339 13.798 1.00 1.39 O ATOM 2165 CB SER B 34 8.145 -7.368 16.800 1.00 1.64 C ATOM 2166 OG SER B 34 7.024 -6.701 17.349 1.00 2.41 O ATOM 0 H SER B 34 7.201 -8.158 14.261 1.00 1.20 H new ATOM 0 HA SER B 34 8.554 -5.790 15.440 1.00 1.24 H new ATOM 0 HB2 SER B 34 7.977 -8.445 16.796 1.00 1.64 H new ATOM 0 HB3 SER B 34 9.028 -7.186 17.412 1.00 1.64 H new ATOM 0 HG SER B 34 7.236 -5.752 17.472 1.00 2.41 H new ATOM 2172 N VAL B 35 10.805 -7.197 15.141 1.00 1.19 N ATOM 2173 CA VAL B 35 12.004 -7.665 14.451 1.00 1.14 C ATOM 2174 C VAL B 35 12.397 -9.070 14.915 1.00 1.59 C ATOM 2175 O VAL B 35 13.555 -9.354 15.202 1.00 2.80 O ATOM 2176 CB VAL B 35 13.116 -6.612 14.615 1.00 1.58 C ATOM 2177 CG1 VAL B 35 13.644 -6.439 16.047 1.00 1.92 C ATOM 2178 CG2 VAL B 35 14.271 -6.800 13.621 1.00 2.53 C ATOM 0 H VAL B 35 10.986 -6.612 15.957 1.00 1.19 H new ATOM 0 HA VAL B 35 11.813 -7.770 13.383 1.00 1.14 H new ATOM 0 HB VAL B 35 12.611 -5.676 14.374 1.00 1.58 H new ATOM 0 HG11 VAL B 35 14.423 -5.676 16.058 1.00 1.92 H new ATOM 0 HG12 VAL B 35 12.828 -6.133 16.701 1.00 1.92 H new ATOM 0 HG13 VAL B 35 14.057 -7.384 16.399 1.00 1.92 H new ATOM 0 HG21 VAL B 35 15.023 -6.028 13.786 1.00 2.53 H new ATOM 0 HG22 VAL B 35 14.721 -7.782 13.767 1.00 2.53 H new ATOM 0 HG23 VAL B 35 13.891 -6.724 12.602 1.00 2.53 H new ATOM 2188 N ASN B 36 11.435 -9.987 14.830 1.00 1.19 N ATOM 2189 CA ASN B 36 11.671 -11.402 14.601 1.00 1.45 C ATOM 2190 C ASN B 36 10.372 -11.953 14.014 1.00 1.30 C ATOM 2191 O ASN B 36 9.833 -12.972 14.427 1.00 1.58 O ATOM 2192 CB ASN B 36 12.044 -12.036 15.943 1.00 1.99 C ATOM 2193 CG ASN B 36 12.489 -13.486 15.780 1.00 2.46 C ATOM 2194 OD1 ASN B 36 13.541 -13.751 15.205 1.00 2.60 O ATOM 2195 ND2 ASN B 36 11.720 -14.437 16.295 1.00 3.07 N ATOM 0 H ASN B 36 10.446 -9.755 14.922 1.00 1.19 H new ATOM 0 HA ASN B 36 12.487 -11.614 13.910 1.00 1.45 H new ATOM 0 HB2 ASN B 36 12.845 -11.460 16.407 1.00 1.99 H new ATOM 0 HB3 ASN B 36 11.188 -11.992 16.616 1.00 1.99 H new ATOM 0 HD21 ASN B 36 11.998 -15.415 16.218 1.00 3.07 H new ATOM 0 HD22 ASN B 36 10.851 -14.190 16.768 1.00 3.07 H new ATOM 2202 N GLU B 37 9.911 -11.258 12.975 1.00 1.20 N ATOM 2203 CA GLU B 37 8.585 -11.386 12.402 1.00 1.19 C ATOM 2204 C GLU B 37 8.658 -10.615 11.090 1.00 1.06 C ATOM 2205 O GLU B 37 8.571 -11.197 10.014 1.00 1.15 O ATOM 2206 CB GLU B 37 7.520 -10.802 13.363 1.00 1.34 C ATOM 2207 CG GLU B 37 6.267 -11.683 13.443 1.00 0.87 C ATOM 2208 CD GLU B 37 5.188 -11.096 14.351 1.00 0.93 C ATOM 2209 OE1 GLU B 37 5.123 -9.871 14.583 1.00 2.08 O ATOM 2210 OE2 GLU B 37 4.223 -11.771 14.767 1.00 1.94 O ATOM 0 H GLU B 37 10.481 -10.562 12.494 1.00 1.20 H new ATOM 0 HA GLU B 37 8.292 -12.423 12.237 1.00 1.19 H new ATOM 0 HB2 GLU B 37 7.951 -10.695 14.358 1.00 1.34 H new ATOM 0 HB3 GLU B 37 7.239 -9.803 13.028 1.00 1.34 H new ATOM 0 HG2 GLU B 37 5.859 -11.818 12.441 1.00 0.87 H new ATOM 0 HG3 GLU B 37 6.546 -12.671 13.809 1.00 0.87 H new ATOM 2217 N PHE B 38 8.915 -9.304 11.181 1.00 0.92 N ATOM 2218 CA PHE B 38 9.054 -8.425 10.026 1.00 0.82 C ATOM 2219 C PHE B 38 10.002 -9.031 8.984 1.00 0.70 C ATOM 2220 O PHE B 38 9.666 -9.138 7.803 1.00 0.76 O ATOM 2221 CB PHE B 38 9.540 -7.044 10.493 1.00 0.85 C ATOM 2222 CG PHE B 38 9.562 -5.990 9.404 1.00 0.87 C ATOM 2223 CD1 PHE B 38 8.363 -5.603 8.776 1.00 1.56 C ATOM 2224 CD2 PHE B 38 10.777 -5.394 9.016 1.00 2.38 C ATOM 2225 CE1 PHE B 38 8.383 -4.654 7.738 1.00 1.60 C ATOM 2226 CE2 PHE B 38 10.793 -4.428 7.995 1.00 2.71 C ATOM 2227 CZ PHE B 38 9.600 -4.073 7.345 1.00 1.62 C ATOM 0 H PHE B 38 9.033 -8.823 12.073 1.00 0.92 H new ATOM 0 HA PHE B 38 8.083 -8.310 9.544 1.00 0.82 H new ATOM 0 HB2 PHE B 38 8.896 -6.700 11.303 1.00 0.85 H new ATOM 0 HB3 PHE B 38 10.544 -7.145 10.905 1.00 0.85 H new ATOM 0 HD1 PHE B 38 7.425 -6.036 9.092 1.00 1.56 H new ATOM 0 HD2 PHE B 38 11.698 -5.679 9.503 1.00 2.38 H new ATOM 0 HE1 PHE B 38 7.465 -4.373 7.244 1.00 1.60 H new ATOM 0 HE2 PHE B 38 11.723 -3.959 7.710 1.00 2.71 H new ATOM 0 HZ PHE B 38 9.618 -3.352 6.541 1.00 1.62 H new ATOM 2237 N LYS B 39 11.178 -9.477 9.444 1.00 0.65 N ATOM 2238 CA LYS B 39 12.206 -10.040 8.582 1.00 0.66 C ATOM 2239 C LYS B 39 11.680 -11.241 7.787 1.00 0.67 C ATOM 2240 O LYS B 39 12.119 -11.502 6.665 1.00 0.65 O ATOM 2241 CB LYS B 39 13.457 -10.388 9.401 1.00 0.68 C ATOM 2242 CG LYS B 39 14.616 -10.784 8.471 1.00 0.69 C ATOM 2243 CD LYS B 39 15.988 -10.644 9.152 1.00 0.96 C ATOM 2244 CE LYS B 39 17.042 -10.268 8.099 1.00 1.74 C ATOM 2245 NZ LYS B 39 18.417 -10.220 8.630 1.00 2.65 N ATOM 0 H LYS B 39 11.437 -9.454 10.430 1.00 0.65 H new ATOM 0 HA LYS B 39 12.490 -9.287 7.847 1.00 0.66 H new ATOM 0 HB2 LYS B 39 13.749 -9.533 10.012 1.00 0.68 H new ATOM 0 HB3 LYS B 39 13.235 -11.207 10.085 1.00 0.68 H new ATOM 0 HG2 LYS B 39 14.479 -11.815 8.143 1.00 0.69 H new ATOM 0 HG3 LYS B 39 14.591 -10.160 7.578 1.00 0.69 H new ATOM 0 HD2 LYS B 39 15.945 -9.881 9.929 1.00 0.96 H new ATOM 0 HD3 LYS B 39 16.262 -11.580 9.639 1.00 0.96 H new ATOM 0 HE2 LYS B 39 17.002 -10.990 7.283 1.00 1.74 H new ATOM 0 HE3 LYS B 39 16.790 -9.295 7.677 1.00 1.74 H new ATOM 0 HZ1 LYS B 39 19.077 -9.977 7.864 1.00 2.65 H new ATOM 0 HZ2 LYS B 39 18.475 -9.500 9.378 1.00 2.65 H new ATOM 0 HZ3 LYS B 39 18.670 -11.149 9.023 1.00 2.65 H new ATOM 2259 N GLU B 40 10.712 -11.964 8.340 1.00 0.73 N ATOM 2260 CA GLU B 40 10.228 -13.176 7.726 1.00 0.70 C ATOM 2261 C GLU B 40 9.442 -12.857 6.451 1.00 0.66 C ATOM 2262 O GLU B 40 9.433 -13.669 5.530 1.00 0.68 O ATOM 2263 CB GLU B 40 9.484 -14.017 8.774 1.00 0.75 C ATOM 2264 CG GLU B 40 10.317 -14.146 10.066 1.00 1.11 C ATOM 2265 CD GLU B 40 11.764 -14.540 9.786 1.00 2.94 C ATOM 2266 OE1 GLU B 40 11.952 -15.662 9.273 1.00 3.53 O ATOM 2267 OE2 GLU B 40 12.643 -13.686 10.036 1.00 4.59 O ATOM 0 H GLU B 40 10.251 -11.722 9.217 1.00 0.73 H new ATOM 0 HA GLU B 40 11.053 -13.800 7.383 1.00 0.70 H new ATOM 0 HB2 GLU B 40 8.523 -13.556 9.001 1.00 0.75 H new ATOM 0 HB3 GLU B 40 9.275 -15.008 8.370 1.00 0.75 H new ATOM 0 HG2 GLU B 40 10.299 -13.198 10.603 1.00 1.11 H new ATOM 0 HG3 GLU B 40 9.860 -14.891 10.717 1.00 1.11 H new ATOM 2274 N LEU B 41 8.857 -11.657 6.331 1.00 0.68 N ATOM 2275 CA LEU B 41 8.134 -11.291 5.118 1.00 0.69 C ATOM 2276 C LEU B 41 9.122 -11.095 3.968 1.00 0.66 C ATOM 2277 O LEU B 41 8.883 -11.550 2.850 1.00 0.75 O ATOM 2278 CB LEU B 41 7.295 -10.023 5.351 1.00 0.76 C ATOM 2279 CG LEU B 41 6.166 -9.800 4.324 1.00 0.73 C ATOM 2280 CD1 LEU B 41 5.044 -10.841 4.412 1.00 1.88 C ATOM 2281 CD2 LEU B 41 5.560 -8.405 4.522 1.00 1.95 C ATOM 0 H LEU B 41 8.873 -10.936 7.052 1.00 0.68 H new ATOM 0 HA LEU B 41 7.449 -12.097 4.853 1.00 0.69 H new ATOM 0 HB2 LEU B 41 6.857 -10.072 6.348 1.00 0.76 H new ATOM 0 HB3 LEU B 41 7.957 -9.158 5.336 1.00 0.76 H new ATOM 0 HG LEU B 41 6.622 -9.899 3.339 1.00 0.73 H new ATOM 0 HD11 LEU B 41 4.285 -10.622 3.661 1.00 1.88 H new ATOM 0 HD12 LEU B 41 5.455 -11.835 4.234 1.00 1.88 H new ATOM 0 HD13 LEU B 41 4.593 -10.807 5.404 1.00 1.88 H new ATOM 0 HD21 LEU B 41 4.762 -8.248 3.796 1.00 1.95 H new ATOM 0 HD22 LEU B 41 5.154 -8.325 5.530 1.00 1.95 H new ATOM 0 HD23 LEU B 41 6.333 -7.649 4.381 1.00 1.95 H new ATOM 2293 N VAL B 42 10.243 -10.418 4.249 1.00 0.59 N ATOM 2294 CA VAL B 42 11.248 -10.137 3.232 1.00 0.56 C ATOM 2295 C VAL B 42 11.942 -11.436 2.845 1.00 0.57 C ATOM 2296 O VAL B 42 12.196 -11.688 1.672 1.00 0.60 O ATOM 2297 CB VAL B 42 12.242 -9.039 3.661 1.00 0.58 C ATOM 2298 CG1 VAL B 42 11.589 -7.656 3.603 1.00 0.64 C ATOM 2299 CG2 VAL B 42 12.870 -9.206 5.039 1.00 0.58 C ATOM 0 H VAL B 42 10.471 -10.057 5.175 1.00 0.59 H new ATOM 0 HA VAL B 42 10.748 -9.731 2.353 1.00 0.56 H new ATOM 0 HB VAL B 42 13.052 -9.140 2.938 1.00 0.58 H new ATOM 0 HG11 VAL B 42 12.311 -6.900 3.910 1.00 0.64 H new ATOM 0 HG12 VAL B 42 11.260 -7.451 2.584 1.00 0.64 H new ATOM 0 HG13 VAL B 42 10.730 -7.631 4.273 1.00 0.64 H new ATOM 0 HG21 VAL B 42 13.550 -8.376 5.232 1.00 0.58 H new ATOM 0 HG22 VAL B 42 12.087 -9.217 5.797 1.00 0.58 H new ATOM 0 HG23 VAL B 42 13.423 -10.145 5.075 1.00 0.58 H new ATOM 2309 N THR B 43 12.232 -12.264 3.846 1.00 0.60 N ATOM 2310 CA THR B 43 12.913 -13.526 3.652 1.00 0.66 C ATOM 2311 C THR B 43 12.032 -14.515 2.875 1.00 0.70 C ATOM 2312 O THR B 43 12.432 -14.996 1.817 1.00 0.81 O ATOM 2313 CB THR B 43 13.318 -14.044 5.037 1.00 0.66 C ATOM 2314 OG1 THR B 43 14.140 -13.078 5.663 1.00 0.70 O ATOM 2315 CG2 THR B 43 14.080 -15.369 4.977 1.00 0.76 C ATOM 0 H THR B 43 11.996 -12.069 4.819 1.00 0.60 H new ATOM 0 HA THR B 43 13.808 -13.400 3.042 1.00 0.66 H new ATOM 0 HB THR B 43 12.401 -14.218 5.600 1.00 0.66 H new ATOM 0 HG1 THR B 43 13.578 -12.400 6.094 1.00 0.70 H new ATOM 0 HG21 THR B 43 14.340 -15.685 5.987 1.00 0.76 H new ATOM 0 HG22 THR B 43 13.453 -16.128 4.509 1.00 0.76 H new ATOM 0 HG23 THR B 43 14.991 -15.239 4.392 1.00 0.76 H new ATOM 2323 N GLN B 44 10.864 -14.866 3.422 1.00 0.68 N ATOM 2324 CA GLN B 44 10.030 -15.936 2.887 1.00 0.76 C ATOM 2325 C GLN B 44 9.157 -15.453 1.725 1.00 0.96 C ATOM 2326 O GLN B 44 9.268 -15.963 0.613 1.00 1.03 O ATOM 2327 CB GLN B 44 9.203 -16.530 4.036 1.00 0.81 C ATOM 2328 CG GLN B 44 8.222 -17.626 3.599 1.00 0.93 C ATOM 2329 CD GLN B 44 7.388 -18.111 4.781 1.00 1.14 C ATOM 2330 OE1 GLN B 44 7.387 -19.292 5.111 1.00 2.11 O ATOM 2331 NE2 GLN B 44 6.671 -17.201 5.435 1.00 1.31 N ATOM 0 H GLN B 44 10.474 -14.413 4.249 1.00 0.68 H new ATOM 0 HA GLN B 44 10.663 -16.717 2.466 1.00 0.76 H new ATOM 0 HB2 GLN B 44 9.882 -16.941 4.783 1.00 0.81 H new ATOM 0 HB3 GLN B 44 8.644 -15.729 4.520 1.00 0.81 H new ATOM 0 HG2 GLN B 44 7.565 -17.242 2.818 1.00 0.93 H new ATOM 0 HG3 GLN B 44 8.773 -18.463 3.169 1.00 0.93 H new ATOM 0 HE21 GLN B 44 6.691 -16.226 5.138 1.00 1.31 H new ATOM 0 HE22 GLN B 44 6.101 -17.479 6.234 1.00 1.31 H new ATOM 2340 N GLN B 45 8.251 -14.506 1.986 1.00 1.14 N ATOM 2341 CA GLN B 45 7.225 -14.133 1.018 1.00 1.34 C ATOM 2342 C GLN B 45 7.816 -13.381 -0.173 1.00 1.38 C ATOM 2343 O GLN B 45 7.447 -13.649 -1.316 1.00 1.54 O ATOM 2344 CB GLN B 45 6.134 -13.271 1.675 1.00 1.45 C ATOM 2345 CG GLN B 45 4.979 -14.064 2.305 1.00 1.96 C ATOM 2346 CD GLN B 45 5.296 -14.703 3.653 1.00 3.01 C ATOM 2347 OE1 GLN B 45 6.421 -14.671 4.141 1.00 3.89 O ATOM 2348 NE2 GLN B 45 4.288 -15.298 4.283 1.00 3.82 N ATOM 0 H GLN B 45 8.210 -13.985 2.862 1.00 1.14 H new ATOM 0 HA GLN B 45 6.782 -15.061 0.656 1.00 1.34 H new ATOM 0 HB2 GLN B 45 6.594 -12.652 2.446 1.00 1.45 H new ATOM 0 HB3 GLN B 45 5.725 -12.594 0.925 1.00 1.45 H new ATOM 0 HG2 GLN B 45 4.125 -13.398 2.428 1.00 1.96 H new ATOM 0 HG3 GLN B 45 4.675 -14.848 1.611 1.00 1.96 H new ATOM 0 HE21 GLN B 45 3.360 -15.313 3.860 1.00 3.82 H new ATOM 0 HE22 GLN B 45 4.442 -15.739 5.190 1.00 3.82 H new ATOM 2357 N LEU B 46 8.652 -12.376 0.094 1.00 1.27 N ATOM 2358 CA LEU B 46 8.968 -11.350 -0.895 1.00 1.25 C ATOM 2359 C LEU B 46 9.857 -11.828 -2.053 1.00 1.34 C ATOM 2360 O LEU B 46 9.886 -11.180 -3.094 1.00 1.43 O ATOM 2361 CB LEU B 46 9.577 -10.133 -0.190 1.00 1.28 C ATOM 2362 CG LEU B 46 9.234 -8.822 -0.908 1.00 1.07 C ATOM 2363 CD1 LEU B 46 7.823 -8.362 -0.518 1.00 1.75 C ATOM 2364 CD2 LEU B 46 10.248 -7.737 -0.535 1.00 1.86 C ATOM 0 H LEU B 46 9.123 -12.253 0.991 1.00 1.27 H new ATOM 0 HA LEU B 46 8.026 -11.077 -1.371 1.00 1.25 H new ATOM 0 HB2 LEU B 46 9.214 -10.090 0.837 1.00 1.28 H new ATOM 0 HB3 LEU B 46 10.660 -10.247 -0.141 1.00 1.28 H new ATOM 0 HG LEU B 46 9.271 -8.993 -1.984 1.00 1.07 H new ATOM 0 HD11 LEU B 46 7.589 -7.430 -1.033 1.00 1.75 H new ATOM 0 HD12 LEU B 46 7.100 -9.126 -0.803 1.00 1.75 H new ATOM 0 HD13 LEU B 46 7.777 -8.203 0.559 1.00 1.75 H new ATOM 0 HD21 LEU B 46 9.995 -6.810 -1.050 1.00 1.86 H new ATOM 0 HD22 LEU B 46 10.224 -7.572 0.542 1.00 1.86 H new ATOM 0 HD23 LEU B 46 11.247 -8.056 -0.831 1.00 1.86 H new ATOM 2376 N PRO B 47 10.586 -12.938 -1.892 1.00 1.57 N ATOM 2377 CA PRO B 47 12.039 -12.897 -1.792 1.00 1.46 C ATOM 2378 C PRO B 47 12.714 -11.810 -2.645 1.00 1.41 C ATOM 2379 O PRO B 47 13.368 -10.931 -2.091 1.00 1.74 O ATOM 2380 CB PRO B 47 12.529 -14.303 -2.157 1.00 1.63 C ATOM 2381 CG PRO B 47 11.433 -14.844 -3.072 1.00 1.87 C ATOM 2382 CD PRO B 47 10.177 -14.200 -2.493 1.00 2.01 C ATOM 0 HA PRO B 47 12.320 -12.616 -0.777 1.00 1.46 H new ATOM 0 HB2 PRO B 47 13.494 -14.272 -2.663 1.00 1.63 H new ATOM 0 HB3 PRO B 47 12.654 -14.926 -1.271 1.00 1.63 H new ATOM 0 HG2 PRO B 47 11.594 -14.559 -4.112 1.00 1.87 H new ATOM 0 HG3 PRO B 47 11.381 -15.932 -3.045 1.00 1.87 H new ATOM 0 HD2 PRO B 47 9.434 -14.033 -3.273 1.00 2.01 H new ATOM 0 HD3 PRO B 47 9.717 -14.851 -1.749 1.00 2.01 H new ATOM 2390 N HIS B 48 12.644 -11.901 -3.979 1.00 1.27 N ATOM 2391 CA HIS B 48 13.601 -11.219 -4.841 1.00 1.22 C ATOM 2392 C HIS B 48 13.382 -9.706 -4.913 1.00 1.08 C ATOM 2393 O HIS B 48 14.312 -8.964 -4.599 1.00 1.79 O ATOM 2394 CB HIS B 48 13.659 -11.847 -6.238 1.00 1.18 C ATOM 2395 CG HIS B 48 14.773 -11.233 -7.048 1.00 1.38 C ATOM 2396 ND1 HIS B 48 14.643 -10.165 -7.907 1.00 2.03 N ATOM 2397 CD2 HIS B 48 16.112 -11.409 -6.814 1.00 2.35 C ATOM 2398 CE1 HIS B 48 15.881 -9.724 -8.193 1.00 2.18 C ATOM 2399 NE2 HIS B 48 16.813 -10.440 -7.538 1.00 2.38 N ATOM 0 H HIS B 48 11.935 -12.439 -4.478 1.00 1.27 H new ATOM 0 HA HIS B 48 14.575 -11.361 -4.372 1.00 1.22 H new ATOM 0 HB2 HIS B 48 13.813 -12.923 -6.153 1.00 1.18 H new ATOM 0 HB3 HIS B 48 12.707 -11.701 -6.749 1.00 1.18 H new ATOM 0 HD2 HIS B 48 16.550 -12.166 -6.180 1.00 2.35 H new ATOM 0 HE1 HIS B 48 16.098 -8.903 -8.860 1.00 2.18 H new ATOM 0 HE2 HIS B 48 17.824 -10.304 -7.564 1.00 2.38 H new ATOM 2407 N LEU B 49 12.199 -9.270 -5.366 1.00 1.01 N ATOM 2408 CA LEU B 49 11.723 -7.887 -5.457 1.00 0.90 C ATOM 2409 C LEU B 49 12.713 -6.811 -4.983 1.00 1.04 C ATOM 2410 O LEU B 49 13.442 -6.253 -5.801 1.00 1.43 O ATOM 2411 CB LEU B 49 10.380 -7.843 -4.725 1.00 0.67 C ATOM 2412 CG LEU B 49 9.605 -6.538 -4.908 1.00 0.66 C ATOM 2413 CD1 LEU B 49 9.247 -6.231 -6.363 1.00 0.80 C ATOM 2414 CD2 LEU B 49 8.293 -6.669 -4.148 1.00 0.76 C ATOM 0 H LEU B 49 11.497 -9.928 -5.704 1.00 1.01 H new ATOM 0 HA LEU B 49 11.610 -7.621 -6.508 1.00 0.90 H new ATOM 0 HB2 LEU B 49 9.762 -8.671 -5.074 1.00 0.67 H new ATOM 0 HB3 LEU B 49 10.554 -8.002 -3.661 1.00 0.67 H new ATOM 0 HG LEU B 49 10.246 -5.734 -4.547 1.00 0.66 H new ATOM 0 HD11 LEU B 49 8.699 -5.290 -6.412 1.00 0.80 H new ATOM 0 HD12 LEU B 49 10.160 -6.150 -6.953 1.00 0.80 H new ATOM 0 HD13 LEU B 49 8.627 -7.034 -6.762 1.00 0.80 H new ATOM 0 HD21 LEU B 49 7.715 -5.752 -4.259 1.00 0.76 H new ATOM 0 HD22 LEU B 49 7.723 -7.508 -4.548 1.00 0.76 H new ATOM 0 HD23 LEU B 49 8.500 -6.842 -3.092 1.00 0.76 H new ATOM 2426 N LEU B 50 12.750 -6.522 -3.679 1.00 0.99 N ATOM 2427 CA LEU B 50 13.812 -5.740 -3.056 1.00 1.24 C ATOM 2428 C LEU B 50 14.380 -6.552 -1.901 1.00 1.08 C ATOM 2429 O LEU B 50 14.282 -6.161 -0.740 1.00 2.23 O ATOM 2430 CB LEU B 50 13.351 -4.338 -2.620 1.00 2.37 C ATOM 2431 CG LEU B 50 12.073 -4.337 -1.759 1.00 1.14 C ATOM 2432 CD1 LEU B 50 12.232 -3.438 -0.528 1.00 1.94 C ATOM 2433 CD2 LEU B 50 10.848 -3.925 -2.577 1.00 2.65 C ATOM 0 H LEU B 50 12.033 -6.830 -3.022 1.00 0.99 H new ATOM 0 HA LEU B 50 14.594 -5.550 -3.791 1.00 1.24 H new ATOM 0 HB2 LEU B 50 14.155 -3.861 -2.059 1.00 2.37 H new ATOM 0 HB3 LEU B 50 13.178 -3.731 -3.509 1.00 2.37 H new ATOM 0 HG LEU B 50 11.915 -5.358 -1.412 1.00 1.14 H new ATOM 0 HD11 LEU B 50 11.314 -3.459 0.059 1.00 1.94 H new ATOM 0 HD12 LEU B 50 13.060 -3.799 0.082 1.00 1.94 H new ATOM 0 HD13 LEU B 50 12.435 -2.416 -0.848 1.00 1.94 H new ATOM 0 HD21 LEU B 50 9.964 -3.935 -1.939 1.00 2.65 H new ATOM 0 HD22 LEU B 50 10.997 -2.921 -2.975 1.00 2.65 H new ATOM 0 HD23 LEU B 50 10.709 -4.625 -3.401 1.00 2.65 H new ATOM 2445 N LYS B 51 14.989 -7.693 -2.232 1.00 1.67 N ATOM 2446 CA LYS B 51 15.813 -8.436 -1.300 1.00 2.25 C ATOM 2447 C LYS B 51 16.802 -7.472 -0.650 1.00 1.66 C ATOM 2448 O LYS B 51 17.550 -6.767 -1.329 1.00 2.03 O ATOM 2449 CB LYS B 51 16.521 -9.598 -2.000 1.00 3.50 C ATOM 2450 CG LYS B 51 17.454 -9.134 -3.122 1.00 3.87 C ATOM 2451 CD LYS B 51 18.929 -9.131 -2.693 1.00 4.64 C ATOM 2452 CE LYS B 51 19.796 -8.332 -3.676 1.00 4.99 C ATOM 2453 NZ LYS B 51 19.652 -8.799 -5.072 1.00 6.33 N ATOM 0 H LYS B 51 14.919 -8.120 -3.155 1.00 1.67 H new ATOM 0 HA LYS B 51 15.189 -8.879 -0.523 1.00 2.25 H new ATOM 0 HB2 LYS B 51 17.096 -10.163 -1.266 1.00 3.50 H new ATOM 0 HB3 LYS B 51 15.775 -10.277 -2.412 1.00 3.50 H new ATOM 0 HG2 LYS B 51 17.331 -9.787 -3.986 1.00 3.87 H new ATOM 0 HG3 LYS B 51 17.168 -8.131 -3.437 1.00 3.87 H new ATOM 0 HD2 LYS B 51 19.018 -8.702 -1.695 1.00 4.64 H new ATOM 0 HD3 LYS B 51 19.294 -10.156 -2.633 1.00 4.64 H new ATOM 0 HE2 LYS B 51 19.525 -7.278 -3.620 1.00 4.99 H new ATOM 0 HE3 LYS B 51 20.842 -8.408 -3.377 1.00 4.99 H new ATOM 0 HZ1 LYS B 51 20.365 -8.334 -5.669 1.00 6.33 H new ATOM 0 HZ2 LYS B 51 19.788 -9.829 -5.109 1.00 6.33 H new ATOM 0 HZ3 LYS B 51 18.701 -8.562 -5.421 1.00 6.33 H new ATOM 2467 N ASP B 52 16.756 -7.430 0.673 1.00 2.36 N ATOM 2468 CA ASP B 52 17.426 -6.442 1.503 1.00 2.25 C ATOM 2469 C ASP B 52 17.385 -6.992 2.929 1.00 1.61 C ATOM 2470 O ASP B 52 16.891 -6.381 3.874 1.00 2.02 O ATOM 2471 CB ASP B 52 16.715 -5.095 1.326 1.00 3.42 C ATOM 2472 CG ASP B 52 17.447 -3.927 1.965 1.00 3.61 C ATOM 2473 OD1 ASP B 52 18.446 -4.165 2.674 1.00 3.17 O ATOM 2474 OD2 ASP B 52 17.027 -2.785 1.655 1.00 5.13 O ATOM 0 H ASP B 52 16.229 -8.111 1.219 1.00 2.36 H new ATOM 0 HA ASP B 52 18.467 -6.266 1.233 1.00 2.25 H new ATOM 0 HB2 ASP B 52 16.593 -4.896 0.261 1.00 3.42 H new ATOM 0 HB3 ASP B 52 15.715 -5.163 1.754 1.00 3.42 H new ATOM 2479 N VAL B 53 17.834 -8.246 3.034 1.00 1.21 N ATOM 2480 CA VAL B 53 17.781 -9.047 4.247 1.00 1.56 C ATOM 2481 C VAL B 53 19.030 -8.830 5.106 1.00 1.88 C ATOM 2482 O VAL B 53 19.057 -9.231 6.270 1.00 2.37 O ATOM 2483 CB VAL B 53 17.542 -10.527 3.897 1.00 1.82 C ATOM 2484 CG1 VAL B 53 16.201 -10.697 3.168 1.00 1.92 C ATOM 2485 CG2 VAL B 53 18.671 -11.134 3.050 1.00 2.09 C ATOM 0 H VAL B 53 18.257 -8.742 2.249 1.00 1.21 H new ATOM 0 HA VAL B 53 16.936 -8.721 4.854 1.00 1.56 H new ATOM 0 HB VAL B 53 17.522 -11.067 4.844 1.00 1.82 H new ATOM 0 HG11 VAL B 53 16.048 -11.749 2.928 1.00 1.92 H new ATOM 0 HG12 VAL B 53 15.391 -10.350 3.810 1.00 1.92 H new ATOM 0 HG13 VAL B 53 16.210 -10.113 2.248 1.00 1.92 H new ATOM 0 HG21 VAL B 53 18.444 -12.179 2.836 1.00 2.09 H new ATOM 0 HG22 VAL B 53 18.760 -10.583 2.114 1.00 2.09 H new ATOM 0 HG23 VAL B 53 19.611 -11.072 3.598 1.00 2.09 H new ATOM 2495 N GLY B 54 20.062 -8.184 4.551 1.00 2.01 N ATOM 2496 CA GLY B 54 21.158 -7.658 5.344 1.00 2.68 C ATOM 2497 C GLY B 54 20.627 -6.458 6.116 1.00 2.31 C ATOM 2498 O GLY B 54 20.281 -6.571 7.292 1.00 2.58 O ATOM 0 H GLY B 54 20.153 -8.017 3.549 1.00 2.01 H new ATOM 0 HA2 GLY B 54 21.536 -8.418 6.028 1.00 2.68 H new ATOM 0 HA3 GLY B 54 21.989 -7.365 4.703 1.00 2.68 H new ATOM 2502 N SER B 55 20.482 -5.324 5.428 1.00 1.87 N ATOM 2503 CA SER B 55 20.037 -4.049 5.970 1.00 1.79 C ATOM 2504 C SER B 55 18.519 -4.000 6.196 1.00 1.36 C ATOM 2505 O SER B 55 17.847 -2.990 5.978 1.00 1.37 O ATOM 2506 CB SER B 55 20.567 -2.950 5.030 1.00 2.04 C ATOM 2507 OG SER B 55 20.760 -3.479 3.725 1.00 3.22 O ATOM 0 H SER B 55 20.683 -5.273 4.429 1.00 1.87 H new ATOM 0 HA SER B 55 20.442 -3.893 6.970 1.00 1.79 H new ATOM 0 HB2 SER B 55 19.862 -2.119 4.994 1.00 2.04 H new ATOM 0 HB3 SER B 55 21.507 -2.554 5.414 1.00 2.04 H new ATOM 0 HG SER B 55 19.899 -3.524 3.260 1.00 3.22 H new ATOM 2513 N LEU B 56 17.985 -5.085 6.754 1.00 1.15 N ATOM 2514 CA LEU B 56 16.637 -5.133 7.243 1.00 0.87 C ATOM 2515 C LEU B 56 16.529 -4.217 8.462 1.00 0.82 C ATOM 2516 O LEU B 56 15.467 -3.656 8.692 1.00 0.78 O ATOM 2517 CB LEU B 56 16.315 -6.605 7.517 1.00 0.99 C ATOM 2518 CG LEU B 56 14.859 -6.935 7.864 1.00 0.96 C ATOM 2519 CD1 LEU B 56 14.607 -6.805 9.367 1.00 1.17 C ATOM 2520 CD2 LEU B 56 13.863 -6.122 7.037 1.00 0.77 C ATOM 0 H LEU B 56 18.496 -5.960 6.874 1.00 1.15 H new ATOM 0 HA LEU B 56 15.899 -4.765 6.531 1.00 0.87 H new ATOM 0 HB2 LEU B 56 16.596 -7.185 6.638 1.00 0.99 H new ATOM 0 HB3 LEU B 56 16.947 -6.945 8.338 1.00 0.99 H new ATOM 0 HG LEU B 56 14.692 -7.978 7.594 1.00 0.96 H new ATOM 0 HD11 LEU B 56 13.566 -7.045 9.583 1.00 1.17 H new ATOM 0 HD12 LEU B 56 15.258 -7.494 9.906 1.00 1.17 H new ATOM 0 HD13 LEU B 56 14.817 -5.784 9.684 1.00 1.17 H new ATOM 0 HD21 LEU B 56 12.846 -6.394 7.322 1.00 0.77 H new ATOM 0 HD22 LEU B 56 14.019 -5.059 7.221 1.00 0.77 H new ATOM 0 HD23 LEU B 56 14.012 -6.333 5.978 1.00 0.77 H new ATOM 2532 N ASP B 57 17.616 -4.010 9.221 1.00 1.10 N ATOM 2533 CA ASP B 57 17.613 -3.041 10.312 1.00 1.14 C ATOM 2534 C ASP B 57 17.280 -1.643 9.773 1.00 1.01 C ATOM 2535 O ASP B 57 16.340 -1.024 10.263 1.00 0.96 O ATOM 2536 CB ASP B 57 18.920 -3.088 11.123 1.00 1.49 C ATOM 2537 CG ASP B 57 19.971 -2.131 10.588 1.00 3.13 C ATOM 2538 OD1 ASP B 57 20.333 -2.315 9.406 1.00 3.85 O ATOM 2539 OD2 ASP B 57 20.297 -1.174 11.330 1.00 4.48 O ATOM 0 H ASP B 57 18.501 -4.501 9.095 1.00 1.10 H new ATOM 0 HA ASP B 57 16.828 -3.309 11.019 1.00 1.14 H new ATOM 0 HB2 ASP B 57 18.707 -2.844 12.164 1.00 1.49 H new ATOM 0 HB3 ASP B 57 19.317 -4.103 11.108 1.00 1.49 H new ATOM 2544 N GLU B 58 18.006 -1.162 8.752 1.00 1.07 N ATOM 2545 CA GLU B 58 17.704 0.083 8.050 1.00 1.06 C ATOM 2546 C GLU B 58 16.225 0.125 7.705 1.00 0.85 C ATOM 2547 O GLU B 58 15.535 1.074 8.080 1.00 0.86 O ATOM 2548 CB GLU B 58 18.587 0.249 6.802 1.00 1.23 C ATOM 2549 CG GLU B 58 18.044 1.296 5.813 1.00 1.72 C ATOM 2550 CD GLU B 58 18.986 1.606 4.658 1.00 1.82 C ATOM 2551 OE1 GLU B 58 20.117 1.078 4.674 1.00 2.20 O ATOM 2552 OE2 GLU B 58 18.562 2.392 3.781 1.00 2.48 O ATOM 0 H GLU B 58 18.831 -1.639 8.390 1.00 1.07 H new ATOM 0 HA GLU B 58 17.930 0.924 8.705 1.00 1.06 H new ATOM 0 HB2 GLU B 58 19.592 0.537 7.111 1.00 1.23 H new ATOM 0 HB3 GLU B 58 18.672 -0.712 6.294 1.00 1.23 H new ATOM 0 HG2 GLU B 58 17.096 0.941 5.409 1.00 1.72 H new ATOM 0 HG3 GLU B 58 17.835 2.218 6.355 1.00 1.72 H new ATOM 2559 N LYS B 59 15.739 -0.892 6.990 1.00 0.75 N ATOM 2560 CA LYS B 59 14.353 -0.903 6.560 1.00 0.70 C ATOM 2561 C LYS B 59 13.423 -0.773 7.770 1.00 0.63 C ATOM 2562 O LYS B 59 12.703 0.215 7.888 1.00 0.66 O ATOM 2563 CB LYS B 59 14.075 -2.176 5.749 1.00 0.76 C ATOM 2564 CG LYS B 59 14.814 -2.185 4.400 1.00 1.36 C ATOM 2565 CD LYS B 59 13.912 -1.756 3.233 1.00 1.48 C ATOM 2566 CE LYS B 59 13.337 -0.337 3.396 1.00 2.92 C ATOM 2567 NZ LYS B 59 12.452 0.033 2.270 1.00 4.65 N ATOM 0 H LYS B 59 16.283 -1.706 6.703 1.00 0.75 H new ATOM 0 HA LYS B 59 14.160 -0.048 5.913 1.00 0.70 H new ATOM 0 HB2 LYS B 59 14.376 -3.047 6.331 1.00 0.76 H new ATOM 0 HB3 LYS B 59 13.003 -2.265 5.573 1.00 0.76 H new ATOM 0 HG2 LYS B 59 15.673 -1.517 4.456 1.00 1.36 H new ATOM 0 HG3 LYS B 59 15.200 -3.186 4.208 1.00 1.36 H new ATOM 0 HD2 LYS B 59 14.482 -1.805 2.305 1.00 1.48 H new ATOM 0 HD3 LYS B 59 13.089 -2.465 3.139 1.00 1.48 H new ATOM 0 HE2 LYS B 59 12.780 -0.276 4.331 1.00 2.92 H new ATOM 0 HE3 LYS B 59 14.155 0.380 3.466 1.00 2.92 H new ATOM 0 HZ1 LYS B 59 11.929 0.900 2.510 1.00 4.65 H new ATOM 0 HZ2 LYS B 59 13.025 0.199 1.418 1.00 4.65 H new ATOM 0 HZ3 LYS B 59 11.779 -0.739 2.090 1.00 4.65 H new ATOM 2581 N MET B 60 13.485 -1.738 8.687 1.00 0.65 N ATOM 2582 CA MET B 60 12.689 -1.792 9.905 1.00 0.71 C ATOM 2583 C MET B 60 12.671 -0.428 10.585 1.00 0.72 C ATOM 2584 O MET B 60 11.612 0.139 10.811 1.00 0.73 O ATOM 2585 CB MET B 60 13.246 -2.891 10.822 1.00 0.86 C ATOM 2586 CG MET B 60 12.561 -2.922 12.194 1.00 0.89 C ATOM 2587 SD MET B 60 13.325 -1.889 13.475 1.00 1.61 S ATOM 2588 CE MET B 60 12.165 -2.126 14.841 1.00 1.56 C ATOM 0 H MET B 60 14.117 -2.533 8.595 1.00 0.65 H new ATOM 0 HA MET B 60 11.655 -2.041 9.667 1.00 0.71 H new ATOM 0 HB2 MET B 60 13.123 -3.860 10.337 1.00 0.86 H new ATOM 0 HB3 MET B 60 14.316 -2.736 10.958 1.00 0.86 H new ATOM 0 HG2 MET B 60 11.525 -2.608 12.070 1.00 0.89 H new ATOM 0 HG3 MET B 60 12.542 -3.953 12.547 1.00 0.89 H new ATOM 0 HE1 MET B 60 12.553 -1.640 15.736 1.00 1.56 H new ATOM 0 HE2 MET B 60 11.201 -1.689 14.580 1.00 1.56 H new ATOM 0 HE3 MET B 60 12.041 -3.192 15.032 1.00 1.56 H new ATOM 2598 N LYS B 61 13.850 0.112 10.868 1.00 0.77 N ATOM 2599 CA LYS B 61 14.048 1.372 11.564 1.00 0.87 C ATOM 2600 C LYS B 61 13.416 2.526 10.777 1.00 0.82 C ATOM 2601 O LYS B 61 12.770 3.396 11.359 1.00 0.88 O ATOM 2602 CB LYS B 61 15.563 1.495 11.763 1.00 1.10 C ATOM 2603 CG LYS B 61 16.078 2.535 12.764 1.00 1.62 C ATOM 2604 CD LYS B 61 17.367 2.004 13.427 1.00 1.67 C ATOM 2605 CE LYS B 61 18.460 1.595 12.411 1.00 2.65 C ATOM 2606 NZ LYS B 61 19.417 0.612 12.961 1.00 3.50 N ATOM 0 H LYS B 61 14.728 -0.336 10.607 1.00 0.77 H new ATOM 0 HA LYS B 61 13.553 1.411 12.534 1.00 0.87 H new ATOM 0 HB2 LYS B 61 15.939 0.520 12.073 1.00 1.10 H new ATOM 0 HB3 LYS B 61 16.010 1.716 10.794 1.00 1.10 H new ATOM 0 HG2 LYS B 61 16.278 3.479 12.256 1.00 1.62 H new ATOM 0 HG3 LYS B 61 15.320 2.735 13.522 1.00 1.62 H new ATOM 0 HD2 LYS B 61 17.767 2.771 14.090 1.00 1.67 H new ATOM 0 HD3 LYS B 61 17.119 1.143 14.048 1.00 1.67 H new ATOM 0 HE2 LYS B 61 17.986 1.176 11.524 1.00 2.65 H new ATOM 0 HE3 LYS B 61 19.003 2.484 12.092 1.00 2.65 H new ATOM 0 HZ1 LYS B 61 19.440 -0.229 12.350 1.00 3.50 H new ATOM 0 HZ2 LYS B 61 20.366 1.036 13.002 1.00 3.50 H new ATOM 0 HZ3 LYS B 61 19.119 0.336 13.919 1.00 3.50 H new ATOM 2620 N SER B 62 13.565 2.520 9.448 1.00 0.79 N ATOM 2621 CA SER B 62 12.935 3.501 8.574 1.00 0.85 C ATOM 2622 C SER B 62 11.407 3.388 8.599 1.00 0.80 C ATOM 2623 O SER B 62 10.722 4.398 8.422 1.00 0.96 O ATOM 2624 CB SER B 62 13.460 3.371 7.141 1.00 0.91 C ATOM 2625 OG SER B 62 14.862 3.543 7.111 1.00 1.85 O ATOM 0 H SER B 62 14.129 1.830 8.952 1.00 0.79 H new ATOM 0 HA SER B 62 13.199 4.488 8.953 1.00 0.85 H new ATOM 0 HB2 SER B 62 13.199 2.392 6.739 1.00 0.91 H new ATOM 0 HB3 SER B 62 12.983 4.115 6.503 1.00 0.91 H new ATOM 0 HG SER B 62 15.299 2.729 7.438 1.00 1.85 H new ATOM 2631 N LEU B 63 10.852 2.185 8.794 1.00 0.66 N ATOM 2632 CA LEU B 63 9.415 2.019 8.972 1.00 0.68 C ATOM 2633 C LEU B 63 8.973 2.486 10.363 1.00 0.74 C ATOM 2634 O LEU B 63 8.061 3.304 10.463 1.00 0.85 O ATOM 2635 CB LEU B 63 8.959 0.575 8.739 1.00 0.68 C ATOM 2636 CG LEU B 63 8.823 0.180 7.263 1.00 0.99 C ATOM 2637 CD1 LEU B 63 10.140 -0.273 6.647 1.00 1.54 C ATOM 2638 CD2 LEU B 63 7.835 -0.980 7.167 1.00 1.47 C ATOM 0 H LEU B 63 11.383 1.315 8.832 1.00 0.66 H new ATOM 0 HA LEU B 63 8.938 2.644 8.217 1.00 0.68 H new ATOM 0 HB2 LEU B 63 9.670 -0.099 9.218 1.00 0.68 H new ATOM 0 HB3 LEU B 63 7.998 0.427 9.231 1.00 0.68 H new ATOM 0 HG LEU B 63 8.485 1.061 6.718 1.00 0.99 H new ATOM 0 HD11 LEU B 63 9.980 -0.539 5.602 1.00 1.54 H new ATOM 0 HD12 LEU B 63 10.868 0.536 6.708 1.00 1.54 H new ATOM 0 HD13 LEU B 63 10.516 -1.141 7.189 1.00 1.54 H new ATOM 0 HD21 LEU B 63 7.723 -1.277 6.124 1.00 1.47 H new ATOM 0 HD22 LEU B 63 8.208 -1.824 7.747 1.00 1.47 H new ATOM 0 HD23 LEU B 63 6.868 -0.668 7.561 1.00 1.47 H new ATOM 2650 N ASP B 64 9.622 1.968 11.406 1.00 0.74 N ATOM 2651 CA ASP B 64 9.244 1.972 12.819 1.00 0.86 C ATOM 2652 C ASP B 64 9.015 3.335 13.492 1.00 0.99 C ATOM 2653 O ASP B 64 8.683 3.371 14.679 1.00 1.16 O ATOM 2654 CB ASP B 64 10.130 1.040 13.663 1.00 0.92 C ATOM 2655 CG ASP B 64 9.459 0.704 14.992 1.00 1.11 C ATOM 2656 OD1 ASP B 64 8.216 0.563 14.991 1.00 1.12 O ATOM 2657 OD2 ASP B 64 10.158 0.653 16.023 1.00 1.66 O ATOM 0 H ASP B 64 10.512 1.489 11.269 1.00 0.74 H new ATOM 0 HA ASP B 64 8.234 1.563 12.789 1.00 0.86 H new ATOM 0 HB2 ASP B 64 10.329 0.122 13.110 1.00 0.92 H new ATOM 0 HB3 ASP B 64 11.093 1.516 13.848 1.00 0.92 H new ATOM 2662 N VAL B 65 9.345 4.433 12.799 1.00 0.97 N ATOM 2663 CA VAL B 65 9.988 5.697 13.180 1.00 1.06 C ATOM 2664 C VAL B 65 9.731 6.281 14.577 1.00 1.23 C ATOM 2665 O VAL B 65 10.529 7.097 15.030 1.00 1.36 O ATOM 2666 CB VAL B 65 9.617 6.760 12.123 1.00 1.03 C ATOM 2667 CG1 VAL B 65 10.370 6.498 10.819 1.00 1.35 C ATOM 2668 CG2 VAL B 65 8.103 6.808 11.840 1.00 1.40 C ATOM 0 H VAL B 65 9.132 4.455 11.802 1.00 0.97 H new ATOM 0 HA VAL B 65 11.046 5.437 13.223 1.00 1.06 H new ATOM 0 HB VAL B 65 9.908 7.727 12.534 1.00 1.03 H new ATOM 0 HG11 VAL B 65 10.098 7.255 10.084 1.00 1.35 H new ATOM 0 HG12 VAL B 65 11.443 6.540 11.004 1.00 1.35 H new ATOM 0 HG13 VAL B 65 10.106 5.511 10.438 1.00 1.35 H new ATOM 0 HG21 VAL B 65 7.897 7.572 11.090 1.00 1.40 H new ATOM 0 HG22 VAL B 65 7.771 5.838 11.470 1.00 1.40 H new ATOM 0 HG23 VAL B 65 7.569 7.048 12.759 1.00 1.40 H new ATOM 2678 N ASN B 66 8.679 5.877 15.288 1.00 1.32 N ATOM 2679 CA ASN B 66 8.655 6.027 16.744 1.00 1.57 C ATOM 2680 C ASN B 66 9.924 5.404 17.348 1.00 1.76 C ATOM 2681 O ASN B 66 10.461 5.913 18.326 1.00 2.12 O ATOM 2682 CB ASN B 66 7.432 5.341 17.379 1.00 1.83 C ATOM 2683 CG ASN B 66 6.235 5.176 16.452 1.00 1.65 C ATOM 2684 OD1 ASN B 66 6.051 4.110 15.865 1.00 1.56 O ATOM 2685 ND2 ASN B 66 5.429 6.220 16.280 1.00 2.72 N ATOM 0 H ASN B 66 7.844 5.450 14.888 1.00 1.32 H new ATOM 0 HA ASN B 66 8.602 7.095 16.956 1.00 1.57 H new ATOM 0 HB2 ASN B 66 7.732 4.357 17.739 1.00 1.83 H new ATOM 0 HB3 ASN B 66 7.122 5.918 18.250 1.00 1.83 H new ATOM 0 HD21 ASN B 66 4.632 6.150 15.647 1.00 2.72 H new ATOM 0 HD22 ASN B 66 5.608 7.090 16.781 1.00 2.72 H new ATOM 2692 N GLN B 67 10.357 4.277 16.766 1.00 1.57 N ATOM 2693 CA GLN B 67 11.424 3.407 17.239 1.00 1.66 C ATOM 2694 C GLN B 67 10.979 2.738 18.544 1.00 1.62 C ATOM 2695 O GLN B 67 11.497 3.031 19.620 1.00 1.65 O ATOM 2696 CB GLN B 67 12.777 4.133 17.291 1.00 2.08 C ATOM 2697 CG GLN B 67 13.927 3.120 17.420 1.00 2.58 C ATOM 2698 CD GLN B 67 15.277 3.732 17.063 1.00 2.56 C ATOM 2699 OE1 GLN B 67 15.963 3.261 16.159 1.00 2.70 O ATOM 2700 NE2 GLN B 67 15.678 4.790 17.760 1.00 3.30 N ATOM 0 H GLN B 67 9.941 3.934 15.900 1.00 1.57 H new ATOM 0 HA GLN B 67 11.605 2.602 16.527 1.00 1.66 H new ATOM 0 HB2 GLN B 67 12.911 4.731 16.389 1.00 2.08 H new ATOM 0 HB3 GLN B 67 12.795 4.822 18.136 1.00 2.08 H new ATOM 0 HG2 GLN B 67 13.961 2.740 18.441 1.00 2.58 H new ATOM 0 HG3 GLN B 67 13.733 2.268 16.769 1.00 2.58 H new ATOM 0 HE21 GLN B 67 15.090 5.162 18.506 1.00 3.30 H new ATOM 0 HE22 GLN B 67 16.574 5.230 17.549 1.00 3.30 H new ATOM 2709 N ASP B 68 9.984 1.856 18.412 1.00 1.69 N ATOM 2710 CA ASP B 68 9.266 1.188 19.499 1.00 1.55 C ATOM 2711 C ASP B 68 9.214 -0.345 19.350 1.00 1.31 C ATOM 2712 O ASP B 68 8.787 -1.016 20.287 1.00 1.79 O ATOM 2713 CB ASP B 68 7.848 1.779 19.628 1.00 1.69 C ATOM 2714 CG ASP B 68 7.005 1.558 18.387 1.00 1.57 C ATOM 2715 OD1 ASP B 68 7.207 0.581 17.649 1.00 1.50 O ATOM 2716 OD2 ASP B 68 6.224 2.429 17.960 1.00 1.89 O ATOM 0 H ASP B 68 9.640 1.574 17.494 1.00 1.69 H new ATOM 0 HA ASP B 68 9.827 1.376 20.414 1.00 1.55 H new ATOM 0 HB2 ASP B 68 7.348 1.329 20.486 1.00 1.69 H new ATOM 0 HB3 ASP B 68 7.921 2.848 19.826 1.00 1.69 H new ATOM 2721 N SER B 69 9.607 -0.910 18.201 1.00 1.20 N ATOM 2722 CA SER B 69 9.583 -2.340 17.913 1.00 1.01 C ATOM 2723 C SER B 69 8.177 -2.926 17.697 1.00 0.91 C ATOM 2724 O SER B 69 8.071 -4.129 17.454 1.00 1.03 O ATOM 2725 CB SER B 69 10.396 -3.139 18.941 1.00 1.13 C ATOM 2726 OG SER B 69 11.703 -2.601 19.041 1.00 1.86 O ATOM 0 H SER B 69 9.963 -0.358 17.421 1.00 1.20 H new ATOM 0 HA SER B 69 10.073 -2.445 16.945 1.00 1.01 H new ATOM 0 HB2 SER B 69 9.904 -3.106 19.913 1.00 1.13 H new ATOM 0 HB3 SER B 69 10.446 -4.187 18.644 1.00 1.13 H new ATOM 0 HG SER B 69 12.218 -3.113 19.699 1.00 1.86 H new ATOM 2732 N GLU B 70 7.119 -2.105 17.703 1.00 0.98 N ATOM 2733 CA GLU B 70 5.866 -2.428 17.038 1.00 1.03 C ATOM 2734 C GLU B 70 5.888 -1.693 15.702 1.00 1.03 C ATOM 2735 O GLU B 70 5.602 -0.495 15.643 1.00 1.08 O ATOM 2736 CB GLU B 70 4.625 -1.970 17.831 1.00 1.34 C ATOM 2737 CG GLU B 70 3.980 -3.051 18.720 1.00 1.61 C ATOM 2738 CD GLU B 70 2.449 -3.058 18.641 1.00 2.46 C ATOM 2739 OE1 GLU B 70 1.868 -2.001 18.298 1.00 3.79 O ATOM 2740 OE2 GLU B 70 1.871 -4.143 18.868 1.00 2.93 O ATOM 0 H GLU B 70 7.115 -1.199 18.172 1.00 0.98 H new ATOM 0 HA GLU B 70 5.789 -3.510 16.935 1.00 1.03 H new ATOM 0 HB2 GLU B 70 4.907 -1.125 18.460 1.00 1.34 H new ATOM 0 HB3 GLU B 70 3.877 -1.607 17.126 1.00 1.34 H new ATOM 0 HG2 GLU B 70 4.358 -4.030 18.424 1.00 1.61 H new ATOM 0 HG3 GLU B 70 4.284 -2.891 19.755 1.00 1.61 H new ATOM 2747 N LEU B 71 6.147 -2.412 14.619 1.00 1.09 N ATOM 2748 CA LEU B 71 5.774 -1.975 13.290 1.00 1.03 C ATOM 2749 C LEU B 71 4.247 -2.112 13.260 1.00 1.05 C ATOM 2750 O LEU B 71 3.733 -3.206 13.023 1.00 1.06 O ATOM 2751 CB LEU B 71 6.432 -2.878 12.231 1.00 0.96 C ATOM 2752 CG LEU B 71 7.964 -2.836 12.080 1.00 1.00 C ATOM 2753 CD1 LEU B 71 8.411 -1.578 11.333 1.00 1.17 C ATOM 2754 CD2 LEU B 71 8.723 -2.993 13.402 1.00 1.07 C ATOM 0 H LEU B 71 6.622 -3.314 14.642 1.00 1.09 H new ATOM 0 HA LEU B 71 6.097 -0.957 13.071 1.00 1.03 H new ATOM 0 HB2 LEU B 71 6.148 -3.907 12.450 1.00 0.96 H new ATOM 0 HB3 LEU B 71 5.996 -2.627 11.264 1.00 0.96 H new ATOM 0 HG LEU B 71 8.226 -3.710 11.484 1.00 1.00 H new ATOM 0 HD11 LEU B 71 9.497 -1.576 11.242 1.00 1.17 H new ATOM 0 HD12 LEU B 71 7.963 -1.566 10.339 1.00 1.17 H new ATOM 0 HD13 LEU B 71 8.092 -0.694 11.885 1.00 1.17 H new ATOM 0 HD21 LEU B 71 9.796 -2.953 13.213 1.00 1.07 H new ATOM 0 HD22 LEU B 71 8.444 -2.186 14.080 1.00 1.07 H new ATOM 0 HD23 LEU B 71 8.470 -3.952 13.855 1.00 1.07 H new ATOM 2766 N LYS B 72 3.519 -1.029 13.556 1.00 1.10 N ATOM 2767 CA LYS B 72 2.074 -1.050 13.769 1.00 1.17 C ATOM 2768 C LYS B 72 1.334 -1.021 12.425 1.00 1.09 C ATOM 2769 O LYS B 72 1.957 -0.824 11.385 1.00 0.98 O ATOM 2770 CB LYS B 72 1.765 0.185 14.631 1.00 1.34 C ATOM 2771 CG LYS B 72 0.288 0.473 14.902 1.00 1.42 C ATOM 2772 CD LYS B 72 0.103 1.584 15.953 1.00 2.11 C ATOM 2773 CE LYS B 72 0.865 1.426 17.285 1.00 2.69 C ATOM 2774 NZ LYS B 72 0.603 0.153 17.994 1.00 3.27 N ATOM 0 H LYS B 72 3.928 -0.100 13.655 1.00 1.10 H new ATOM 0 HA LYS B 72 1.741 -1.959 14.270 1.00 1.17 H new ATOM 0 HB2 LYS B 72 2.272 0.068 15.589 1.00 1.34 H new ATOM 0 HB3 LYS B 72 2.200 1.058 14.145 1.00 1.34 H new ATOM 0 HG2 LYS B 72 -0.201 0.767 13.973 1.00 1.42 H new ATOM 0 HG3 LYS B 72 -0.202 -0.438 15.246 1.00 1.42 H new ATOM 0 HD2 LYS B 72 0.403 2.530 15.502 1.00 2.11 H new ATOM 0 HD3 LYS B 72 -0.960 1.662 16.179 1.00 2.11 H new ATOM 0 HE2 LYS B 72 1.934 1.505 17.089 1.00 2.69 H new ATOM 0 HE3 LYS B 72 0.599 2.254 17.942 1.00 2.69 H new ATOM 0 HZ1 LYS B 72 0.513 0.336 19.014 1.00 3.27 H new ATOM 0 HZ2 LYS B 72 -0.279 -0.267 17.638 1.00 3.27 H new ATOM 0 HZ3 LYS B 72 1.391 -0.505 17.829 1.00 3.27 H new ATOM 2788 N PHE B 73 0.005 -1.188 12.412 1.00 1.20 N ATOM 2789 CA PHE B 73 -0.799 -1.117 11.189 1.00 1.21 C ATOM 2790 C PHE B 73 -1.240 0.331 10.893 1.00 1.25 C ATOM 2791 O PHE B 73 -2.415 0.605 10.673 1.00 1.41 O ATOM 2792 CB PHE B 73 -2.003 -2.070 11.337 1.00 1.45 C ATOM 2793 CG PHE B 73 -2.612 -2.662 10.073 1.00 1.64 C ATOM 2794 CD1 PHE B 73 -2.597 -1.982 8.837 1.00 2.97 C ATOM 2795 CD2 PHE B 73 -3.233 -3.924 10.155 1.00 2.66 C ATOM 2796 CE1 PHE B 73 -3.231 -2.540 7.712 1.00 4.36 C ATOM 2797 CE2 PHE B 73 -3.834 -4.496 9.022 1.00 3.93 C ATOM 2798 CZ PHE B 73 -3.852 -3.797 7.804 1.00 4.61 C ATOM 0 H PHE B 73 -0.542 -1.376 13.252 1.00 1.20 H new ATOM 0 HA PHE B 73 -0.200 -1.432 10.335 1.00 1.21 H new ATOM 0 HB2 PHE B 73 -1.696 -2.897 11.978 1.00 1.45 H new ATOM 0 HB3 PHE B 73 -2.790 -1.532 11.866 1.00 1.45 H new ATOM 0 HD1 PHE B 73 -2.096 -1.029 8.754 1.00 2.97 H new ATOM 0 HD2 PHE B 73 -3.247 -4.455 11.095 1.00 2.66 H new ATOM 0 HE1 PHE B 73 -3.240 -2.001 6.776 1.00 4.36 H new ATOM 0 HE2 PHE B 73 -4.283 -5.476 9.087 1.00 3.93 H new ATOM 0 HZ PHE B 73 -4.341 -4.224 6.941 1.00 4.61 H new ATOM 2808 N ASN B 74 -0.282 1.253 10.790 1.00 1.29 N ATOM 2809 CA ASN B 74 0.215 1.734 9.501 1.00 0.99 C ATOM 2810 C ASN B 74 1.577 2.394 9.754 1.00 0.92 C ATOM 2811 O ASN B 74 1.817 3.535 9.376 1.00 1.19 O ATOM 2812 CB ASN B 74 -0.766 2.713 8.808 1.00 1.04 C ATOM 2813 CG ASN B 74 -0.275 3.286 7.468 1.00 1.63 C ATOM 2814 OD1 ASN B 74 -0.975 4.112 6.888 1.00 2.06 O ATOM 2815 ND2 ASN B 74 0.877 2.879 6.944 1.00 2.57 N ATOM 0 H ASN B 74 0.170 1.686 11.595 1.00 1.29 H new ATOM 0 HA ASN B 74 0.313 0.893 8.814 1.00 0.99 H new ATOM 0 HB2 ASN B 74 -1.712 2.198 8.641 1.00 1.04 H new ATOM 0 HB3 ASN B 74 -0.970 3.541 9.487 1.00 1.04 H new ATOM 0 HD21 ASN B 74 1.190 3.253 6.048 1.00 2.57 H new ATOM 0 HD22 ASN B 74 1.447 2.192 7.438 1.00 2.57 H new ATOM 2822 N GLU B 75 2.503 1.659 10.352 1.00 0.85 N ATOM 2823 CA GLU B 75 3.902 1.649 9.996 1.00 0.78 C ATOM 2824 C GLU B 75 4.137 0.558 8.954 1.00 0.74 C ATOM 2825 O GLU B 75 4.562 0.833 7.838 1.00 0.73 O ATOM 2826 CB GLU B 75 4.730 1.456 11.259 1.00 0.85 C ATOM 2827 CG GLU B 75 4.326 2.507 12.298 1.00 0.93 C ATOM 2828 CD GLU B 75 5.064 2.241 13.575 1.00 1.02 C ATOM 2829 OE1 GLU B 75 6.277 2.488 13.643 1.00 2.09 O ATOM 2830 OE2 GLU B 75 4.503 1.691 14.541 1.00 1.36 O ATOM 0 H GLU B 75 2.286 1.032 11.127 1.00 0.85 H new ATOM 0 HA GLU B 75 4.210 2.595 9.550 1.00 0.78 H new ATOM 0 HB2 GLU B 75 4.574 0.454 11.659 1.00 0.85 H new ATOM 0 HB3 GLU B 75 5.792 1.546 11.028 1.00 0.85 H new ATOM 0 HG2 GLU B 75 4.557 3.507 11.931 1.00 0.93 H new ATOM 0 HG3 GLU B 75 3.250 2.471 12.471 1.00 0.93 H new ATOM 2837 N TYR B 76 3.848 -0.692 9.346 1.00 0.82 N ATOM 2838 CA TYR B 76 4.338 -1.893 8.677 1.00 0.94 C ATOM 2839 C TYR B 76 3.957 -1.926 7.204 1.00 0.98 C ATOM 2840 O TYR B 76 4.755 -2.374 6.381 1.00 1.07 O ATOM 2841 CB TYR B 76 3.925 -3.173 9.422 1.00 1.27 C ATOM 2842 CG TYR B 76 2.563 -3.762 9.103 1.00 1.70 C ATOM 2843 CD1 TYR B 76 2.380 -4.473 7.900 1.00 1.88 C ATOM 2844 CD2 TYR B 76 1.571 -3.831 10.100 1.00 3.64 C ATOM 2845 CE1 TYR B 76 1.164 -5.120 7.639 1.00 3.12 C ATOM 2846 CE2 TYR B 76 0.374 -4.524 9.859 1.00 4.84 C ATOM 2847 CZ TYR B 76 0.155 -5.135 8.615 1.00 4.39 C ATOM 2848 OH TYR B 76 -1.004 -5.807 8.383 1.00 5.77 O ATOM 0 H TYR B 76 3.256 -0.893 10.152 1.00 0.82 H new ATOM 0 HA TYR B 76 5.427 -1.853 8.709 1.00 0.94 H new ATOM 0 HB2 TYR B 76 4.677 -3.936 9.221 1.00 1.27 H new ATOM 0 HB3 TYR B 76 3.959 -2.965 10.492 1.00 1.27 H new ATOM 0 HD1 TYR B 76 3.180 -4.520 7.176 1.00 1.88 H new ATOM 0 HD2 TYR B 76 1.731 -3.349 11.053 1.00 3.64 H new ATOM 0 HE1 TYR B 76 1.004 -5.606 6.688 1.00 3.12 H new ATOM 0 HE2 TYR B 76 -0.378 -4.587 10.631 1.00 4.84 H new ATOM 0 HH TYR B 76 -1.761 -5.272 8.700 1.00 5.77 H new ATOM 2858 N TRP B 77 2.748 -1.441 6.878 1.00 0.97 N ATOM 2859 CA TRP B 77 2.304 -1.333 5.497 1.00 1.06 C ATOM 2860 C TRP B 77 3.421 -0.730 4.632 1.00 1.04 C ATOM 2861 O TRP B 77 3.532 -1.051 3.461 1.00 1.03 O ATOM 2862 CB TRP B 77 0.998 -0.516 5.343 1.00 1.06 C ATOM 2863 CG TRP B 77 0.850 0.018 3.946 1.00 1.21 C ATOM 2864 CD1 TRP B 77 1.613 1.019 3.477 1.00 1.73 C ATOM 2865 CD2 TRP B 77 0.246 -0.563 2.753 1.00 2.59 C ATOM 2866 NE1 TRP B 77 1.687 0.955 2.114 1.00 2.00 N ATOM 2867 CE2 TRP B 77 0.842 0.020 1.598 1.00 2.54 C ATOM 2868 CE3 TRP B 77 -0.750 -1.512 2.520 1.00 4.36 C ATOM 2869 CZ2 TRP B 77 0.533 -0.366 0.289 1.00 3.84 C ATOM 2870 CZ3 TRP B 77 -1.220 -1.719 1.201 1.00 5.50 C ATOM 2871 CH2 TRP B 77 -0.464 -1.314 0.099 1.00 5.35 C ATOM 0 H TRP B 77 2.064 -1.118 7.563 1.00 0.97 H new ATOM 0 HA TRP B 77 2.079 -2.343 5.155 1.00 1.06 H new ATOM 0 HB2 TRP B 77 0.142 -1.145 5.587 1.00 1.06 H new ATOM 0 HB3 TRP B 77 0.998 0.311 6.053 1.00 1.06 H new ATOM 0 HD1 TRP B 77 2.098 1.766 4.088 1.00 1.73 H new ATOM 0 HE1 TRP B 77 2.303 1.539 1.549 1.00 2.00 H new ATOM 0 HE3 TRP B 77 -1.159 -2.084 3.340 1.00 4.36 H new ATOM 0 HZ2 TRP B 77 1.057 0.063 -0.553 1.00 3.84 H new ATOM 0 HZ3 TRP B 77 -2.176 -2.197 1.045 1.00 5.50 H new ATOM 0 HH2 TRP B 77 -0.651 -1.729 -0.880 1.00 5.35 H new ATOM 2882 N ARG B 78 4.147 0.263 5.142 1.00 0.91 N ATOM 2883 CA ARG B 78 5.081 1.079 4.356 1.00 0.75 C ATOM 2884 C ARG B 78 5.860 0.242 3.341 1.00 0.61 C ATOM 2885 O ARG B 78 5.885 0.598 2.166 1.00 0.69 O ATOM 2886 CB ARG B 78 6.057 1.832 5.260 1.00 0.68 C ATOM 2887 CG ARG B 78 5.460 3.103 5.879 1.00 0.92 C ATOM 2888 CD ARG B 78 6.405 3.613 6.977 1.00 1.79 C ATOM 2889 NE ARG B 78 6.403 5.082 7.087 1.00 2.18 N ATOM 2890 CZ ARG B 78 7.432 5.752 7.632 1.00 3.09 C ATOM 2891 NH1 ARG B 78 8.194 5.158 8.550 1.00 4.28 N ATOM 2892 NH2 ARG B 78 7.721 6.995 7.237 1.00 3.75 N ATOM 0 H ARG B 78 4.105 0.530 6.126 1.00 0.91 H new ATOM 0 HA ARG B 78 4.475 1.801 3.809 1.00 0.75 H new ATOM 0 HB2 ARG B 78 6.386 1.168 6.059 1.00 0.68 H new ATOM 0 HB3 ARG B 78 6.942 2.099 4.683 1.00 0.68 H new ATOM 0 HG2 ARG B 78 5.324 3.867 5.114 1.00 0.92 H new ATOM 0 HG3 ARG B 78 4.476 2.892 6.297 1.00 0.92 H new ATOM 0 HD2 ARG B 78 6.112 3.180 7.934 1.00 1.79 H new ATOM 0 HD3 ARG B 78 7.418 3.269 6.768 1.00 1.79 H new ATOM 0 HE ARG B 78 5.599 5.605 6.740 1.00 2.18 H new ATOM 0 HH11 ARG B 78 7.995 4.199 8.836 1.00 4.28 H new ATOM 0 HH12 ARG B 78 8.977 5.662 8.967 1.00 4.28 H new ATOM 0 HH21 ARG B 78 7.158 7.445 6.515 1.00 3.75 H new ATOM 0 HH22 ARG B 78 8.505 7.495 7.658 1.00 3.75 H new ATOM 2906 N LEU B 79 6.433 -0.887 3.776 1.00 0.59 N ATOM 2907 CA LEU B 79 7.159 -1.807 2.906 1.00 0.55 C ATOM 2908 C LEU B 79 6.344 -2.148 1.656 1.00 0.57 C ATOM 2909 O LEU B 79 6.853 -2.104 0.541 1.00 0.57 O ATOM 2910 CB LEU B 79 7.482 -3.100 3.674 1.00 0.72 C ATOM 2911 CG LEU B 79 8.580 -3.933 2.995 1.00 0.75 C ATOM 2912 CD1 LEU B 79 9.956 -3.293 3.219 1.00 0.81 C ATOM 2913 CD2 LEU B 79 8.573 -5.351 3.575 1.00 1.02 C ATOM 0 H LEU B 79 6.403 -1.186 4.751 1.00 0.59 H new ATOM 0 HA LEU B 79 8.082 -1.319 2.592 1.00 0.55 H new ATOM 0 HB2 LEU B 79 7.797 -2.848 4.687 1.00 0.72 H new ATOM 0 HB3 LEU B 79 6.577 -3.701 3.762 1.00 0.72 H new ATOM 0 HG LEU B 79 8.383 -3.970 1.924 1.00 0.75 H new ATOM 0 HD11 LEU B 79 10.722 -3.896 2.731 1.00 0.81 H new ATOM 0 HD12 LEU B 79 9.963 -2.288 2.797 1.00 0.81 H new ATOM 0 HD13 LEU B 79 10.163 -3.239 4.288 1.00 0.81 H new ATOM 0 HD21 LEU B 79 9.351 -5.944 3.095 1.00 1.02 H new ATOM 0 HD22 LEU B 79 8.761 -5.306 4.648 1.00 1.02 H new ATOM 0 HD23 LEU B 79 7.602 -5.813 3.396 1.00 1.02 H new ATOM 2925 N ILE B 80 5.068 -2.469 1.877 1.00 0.78 N ATOM 2926 CA ILE B 80 4.069 -2.859 0.885 1.00 0.98 C ATOM 2927 C ILE B 80 3.940 -1.730 -0.128 1.00 1.11 C ATOM 2928 O ILE B 80 3.850 -1.951 -1.332 1.00 1.28 O ATOM 2929 CB ILE B 80 2.692 -3.127 1.523 1.00 1.15 C ATOM 2930 CG1 ILE B 80 2.741 -3.888 2.854 1.00 1.61 C ATOM 2931 CG2 ILE B 80 1.773 -3.842 0.520 1.00 1.58 C ATOM 2932 CD1 ILE B 80 3.536 -5.172 2.781 1.00 2.80 C ATOM 0 H ILE B 80 4.680 -2.462 2.820 1.00 0.78 H new ATOM 0 HA ILE B 80 4.395 -3.785 0.411 1.00 0.98 H new ATOM 0 HB ILE B 80 2.284 -2.147 1.771 1.00 1.15 H new ATOM 0 HG12 ILE B 80 3.176 -3.243 3.617 1.00 1.61 H new ATOM 0 HG13 ILE B 80 1.724 -4.117 3.171 1.00 1.61 H new ATOM 0 HG21 ILE B 80 0.803 -4.026 0.982 1.00 1.58 H new ATOM 0 HG22 ILE B 80 1.641 -3.216 -0.363 1.00 1.58 H new ATOM 0 HG23 ILE B 80 2.222 -4.792 0.228 1.00 1.58 H new ATOM 0 HD11 ILE B 80 3.530 -5.660 3.756 1.00 2.80 H new ATOM 0 HD12 ILE B 80 3.089 -5.835 2.041 1.00 2.80 H new ATOM 0 HD13 ILE B 80 4.563 -4.948 2.494 1.00 2.80 H new ATOM 2944 N GLY B 81 3.928 -0.501 0.388 1.00 1.15 N ATOM 2945 CA GLY B 81 3.851 0.679 -0.435 1.00 1.40 C ATOM 2946 C GLY B 81 5.093 0.791 -1.297 1.00 1.30 C ATOM 2947 O GLY B 81 5.013 0.950 -2.515 1.00 1.58 O ATOM 0 H GLY B 81 3.972 -0.308 1.389 1.00 1.15 H new ATOM 0 HA2 GLY B 81 2.963 0.635 -1.066 1.00 1.40 H new ATOM 0 HA3 GLY B 81 3.753 1.565 0.193 1.00 1.40 H new ATOM 2951 N GLU B 82 6.246 0.692 -0.637 1.00 1.00 N ATOM 2952 CA GLU B 82 7.538 0.735 -1.286 1.00 1.01 C ATOM 2953 C GLU B 82 7.591 -0.252 -2.449 1.00 1.00 C ATOM 2954 O GLU B 82 7.993 0.149 -3.528 1.00 0.98 O ATOM 2955 CB GLU B 82 8.674 0.522 -0.282 1.00 0.87 C ATOM 2956 CG GLU B 82 8.622 1.556 0.848 1.00 0.84 C ATOM 2957 CD GLU B 82 9.957 2.263 1.005 1.00 1.16 C ATOM 2958 OE1 GLU B 82 10.220 3.145 0.158 1.00 1.89 O ATOM 2959 OE2 GLU B 82 10.722 1.865 1.912 1.00 2.17 O ATOM 0 H GLU B 82 6.301 0.579 0.375 1.00 1.00 H new ATOM 0 HA GLU B 82 7.680 1.731 -1.704 1.00 1.01 H new ATOM 0 HB2 GLU B 82 8.607 -0.482 0.138 1.00 0.87 H new ATOM 0 HB3 GLU B 82 9.633 0.590 -0.796 1.00 0.87 H new ATOM 0 HG2 GLU B 82 7.842 2.288 0.639 1.00 0.84 H new ATOM 0 HG3 GLU B 82 8.356 1.064 1.783 1.00 0.84 H new ATOM 2966 N LEU B 83 7.161 -1.503 -2.272 1.00 1.04 N ATOM 2967 CA LEU B 83 7.208 -2.530 -3.320 1.00 1.09 C ATOM 2968 C LEU B 83 6.859 -1.987 -4.718 1.00 0.95 C ATOM 2969 O LEU B 83 7.628 -2.139 -5.671 1.00 0.87 O ATOM 2970 CB LEU B 83 6.201 -3.641 -2.998 1.00 1.66 C ATOM 2971 CG LEU B 83 6.308 -4.311 -1.623 1.00 0.86 C ATOM 2972 CD1 LEU B 83 5.438 -5.572 -1.556 1.00 1.94 C ATOM 2973 CD2 LEU B 83 7.722 -4.620 -1.140 1.00 1.65 C ATOM 0 H LEU B 83 6.767 -1.836 -1.392 1.00 1.04 H new ATOM 0 HA LEU B 83 8.234 -2.897 -3.338 1.00 1.09 H new ATOM 0 HB2 LEU B 83 5.198 -3.225 -3.093 1.00 1.66 H new ATOM 0 HB3 LEU B 83 6.298 -4.415 -3.759 1.00 1.66 H new ATOM 0 HG LEU B 83 5.935 -3.554 -0.932 1.00 0.86 H new ATOM 0 HD11 LEU B 83 5.533 -6.027 -0.570 1.00 1.94 H new ATOM 0 HD12 LEU B 83 4.396 -5.305 -1.734 1.00 1.94 H new ATOM 0 HD13 LEU B 83 5.766 -6.281 -2.316 1.00 1.94 H new ATOM 0 HD21 LEU B 83 7.676 -5.092 -0.158 1.00 1.65 H new ATOM 0 HD22 LEU B 83 8.208 -5.295 -1.845 1.00 1.65 H new ATOM 0 HD23 LEU B 83 8.293 -3.694 -1.071 1.00 1.65 H new ATOM 2985 N ALA B 84 5.688 -1.346 -4.822 1.00 1.05 N ATOM 2986 CA ALA B 84 5.132 -0.818 -6.064 1.00 1.10 C ATOM 2987 C ALA B 84 6.015 0.275 -6.673 1.00 1.00 C ATOM 2988 O ALA B 84 5.989 0.504 -7.879 1.00 1.32 O ATOM 2989 CB ALA B 84 3.726 -0.280 -5.784 1.00 1.22 C ATOM 0 H ALA B 84 5.086 -1.178 -4.016 1.00 1.05 H new ATOM 0 HA ALA B 84 5.087 -1.626 -6.795 1.00 1.10 H new ATOM 0 HB1 ALA B 84 3.299 0.118 -6.704 1.00 1.22 H new ATOM 0 HB2 ALA B 84 3.095 -1.087 -5.410 1.00 1.22 H new ATOM 0 HB3 ALA B 84 3.782 0.512 -5.038 1.00 1.22 H new ATOM 2995 N LYS B 85 6.790 0.966 -5.838 1.00 0.71 N ATOM 2996 CA LYS B 85 7.806 1.908 -6.263 1.00 0.67 C ATOM 2997 C LYS B 85 9.076 1.147 -6.661 1.00 0.60 C ATOM 2998 O LYS B 85 9.587 1.345 -7.763 1.00 0.66 O ATOM 2999 CB LYS B 85 8.011 2.917 -5.127 1.00 0.93 C ATOM 3000 CG LYS B 85 9.190 3.869 -5.319 1.00 0.90 C ATOM 3001 CD LYS B 85 9.086 5.055 -4.364 1.00 1.34 C ATOM 3002 CE LYS B 85 8.850 4.629 -2.909 1.00 1.07 C ATOM 3003 NZ LYS B 85 9.943 3.791 -2.358 1.00 1.96 N ATOM 0 H LYS B 85 6.721 0.879 -4.824 1.00 0.71 H new ATOM 0 HA LYS B 85 7.507 2.467 -7.150 1.00 0.67 H new ATOM 0 HB2 LYS B 85 7.101 3.506 -5.015 1.00 0.93 H new ATOM 0 HB3 LYS B 85 8.153 2.370 -4.195 1.00 0.93 H new ATOM 0 HG2 LYS B 85 10.125 3.337 -5.146 1.00 0.90 H new ATOM 0 HG3 LYS B 85 9.212 4.226 -6.349 1.00 0.90 H new ATOM 0 HD2 LYS B 85 10.002 5.643 -4.421 1.00 1.34 H new ATOM 0 HD3 LYS B 85 8.270 5.703 -4.685 1.00 1.34 H new ATOM 0 HE2 LYS B 85 8.738 5.520 -2.291 1.00 1.07 H new ATOM 0 HE3 LYS B 85 7.912 4.077 -2.847 1.00 1.07 H new ATOM 0 HZ1 LYS B 85 9.638 3.371 -1.457 1.00 1.96 H new ATOM 0 HZ2 LYS B 85 10.174 3.034 -3.033 1.00 1.96 H new ATOM 0 HZ3 LYS B 85 10.785 4.380 -2.197 1.00 1.96 H new ATOM 3017 N GLU B 86 9.593 0.289 -5.777 1.00 0.60 N ATOM 3018 CA GLU B 86 10.883 -0.360 -5.934 1.00 0.69 C ATOM 3019 C GLU B 86 10.958 -1.163 -7.233 1.00 0.74 C ATOM 3020 O GLU B 86 11.984 -1.124 -7.909 1.00 0.88 O ATOM 3021 CB GLU B 86 11.188 -1.270 -4.739 1.00 0.76 C ATOM 3022 CG GLU B 86 11.259 -0.556 -3.371 1.00 0.88 C ATOM 3023 CD GLU B 86 11.930 0.816 -3.346 1.00 1.53 C ATOM 3024 OE1 GLU B 86 13.156 0.857 -3.103 1.00 1.91 O ATOM 3025 OE2 GLU B 86 11.187 1.818 -3.483 1.00 2.55 O ATOM 0 H GLU B 86 9.111 0.026 -4.917 1.00 0.60 H new ATOM 0 HA GLU B 86 11.634 0.429 -5.979 1.00 0.69 H new ATOM 0 HB2 GLU B 86 10.423 -2.044 -4.688 1.00 0.76 H new ATOM 0 HB3 GLU B 86 12.138 -1.773 -4.918 1.00 0.76 H new ATOM 0 HG2 GLU B 86 10.243 -0.445 -2.992 1.00 0.88 H new ATOM 0 HG3 GLU B 86 11.789 -1.206 -2.675 1.00 0.88 H new ATOM 3032 N ILE B 87 9.886 -1.871 -7.611 1.00 0.72 N ATOM 3033 CA ILE B 87 9.852 -2.564 -8.889 1.00 0.82 C ATOM 3034 C ILE B 87 10.262 -1.644 -10.051 1.00 0.87 C ATOM 3035 O ILE B 87 10.932 -2.079 -10.984 1.00 1.03 O ATOM 3036 CB ILE B 87 8.463 -3.192 -9.086 1.00 0.87 C ATOM 3037 CG1 ILE B 87 8.507 -4.171 -10.267 1.00 0.87 C ATOM 3038 CG2 ILE B 87 7.365 -2.140 -9.284 1.00 0.99 C ATOM 3039 CD1 ILE B 87 7.411 -5.212 -10.095 1.00 0.76 C ATOM 0 H ILE B 87 9.041 -1.974 -7.050 1.00 0.72 H new ATOM 0 HA ILE B 87 10.590 -3.366 -8.883 1.00 0.82 H new ATOM 0 HB ILE B 87 8.207 -3.732 -8.175 1.00 0.87 H new ATOM 0 HG12 ILE B 87 8.371 -3.634 -11.206 1.00 0.87 H new ATOM 0 HG13 ILE B 87 9.482 -4.656 -10.316 1.00 0.87 H new ATOM 0 HG21 ILE B 87 6.405 -2.637 -9.419 1.00 0.99 H new ATOM 0 HG22 ILE B 87 7.319 -1.493 -8.408 1.00 0.99 H new ATOM 0 HG23 ILE B 87 7.590 -1.541 -10.166 1.00 0.99 H new ATOM 0 HD11 ILE B 87 7.438 -5.910 -10.932 1.00 0.76 H new ATOM 0 HD12 ILE B 87 7.568 -5.756 -9.163 1.00 0.76 H new ATOM 0 HD13 ILE B 87 6.440 -4.717 -10.067 1.00 0.76 H new ATOM 3051 N ARG B 88 9.875 -0.365 -9.990 1.00 0.85 N ATOM 3052 CA ARG B 88 10.280 0.644 -10.957 1.00 1.06 C ATOM 3053 C ARG B 88 11.685 1.158 -10.612 1.00 1.18 C ATOM 3054 O ARG B 88 12.527 1.311 -11.503 1.00 1.55 O ATOM 3055 CB ARG B 88 9.221 1.769 -10.990 1.00 1.12 C ATOM 3056 CG ARG B 88 8.815 2.250 -12.398 1.00 1.85 C ATOM 3057 CD ARG B 88 9.719 3.331 -13.010 1.00 2.25 C ATOM 3058 NE ARG B 88 11.101 2.863 -13.148 1.00 3.29 N ATOM 3059 CZ ARG B 88 12.157 3.570 -13.567 1.00 3.92 C ATOM 3060 NH1 ARG B 88 11.988 4.750 -14.172 1.00 4.07 N ATOM 3061 NH2 ARG B 88 13.375 3.070 -13.344 1.00 5.36 N ATOM 0 H ARG B 88 9.265 -0.004 -9.257 1.00 0.85 H new ATOM 0 HA ARG B 88 10.336 0.218 -11.959 1.00 1.06 H new ATOM 0 HB2 ARG B 88 8.328 1.420 -10.471 1.00 1.12 H new ATOM 0 HB3 ARG B 88 9.603 2.622 -10.429 1.00 1.12 H new ATOM 0 HG2 ARG B 88 8.801 1.390 -13.067 1.00 1.85 H new ATOM 0 HG3 ARG B 88 7.796 2.635 -12.352 1.00 1.85 H new ATOM 0 HD2 ARG B 88 9.332 3.619 -13.988 1.00 2.25 H new ATOM 0 HD3 ARG B 88 9.697 4.222 -12.383 1.00 2.25 H new ATOM 0 HE ARG B 88 11.277 1.890 -12.897 1.00 3.29 H new ATOM 0 HH11 ARG B 88 11.048 5.118 -14.318 1.00 4.07 H new ATOM 0 HH12 ARG B 88 12.799 5.282 -14.488 1.00 4.07 H new ATOM 0 HH21 ARG B 88 13.479 2.174 -12.867 1.00 5.36 H new ATOM 0 HH22 ARG B 88 14.201 3.584 -13.651 1.00 5.36 H new ATOM 3075 N LYS B 89 11.902 1.521 -9.346 1.00 1.00 N ATOM 3076 CA LYS B 89 13.039 2.287 -8.862 1.00 1.22 C ATOM 3077 C LYS B 89 14.035 1.415 -8.082 1.00 1.32 C ATOM 3078 O LYS B 89 13.759 1.002 -6.965 1.00 1.54 O ATOM 3079 CB LYS B 89 12.507 3.427 -7.979 1.00 1.29 C ATOM 3080 CG LYS B 89 12.082 4.652 -8.804 1.00 2.48 C ATOM 3081 CD LYS B 89 11.475 5.698 -7.859 1.00 2.79 C ATOM 3082 CE LYS B 89 11.471 7.134 -8.411 1.00 4.28 C ATOM 3083 NZ LYS B 89 12.771 7.817 -8.246 1.00 5.14 N ATOM 0 H LYS B 89 11.254 1.274 -8.598 1.00 1.00 H new ATOM 0 HA LYS B 89 13.586 2.689 -9.715 1.00 1.22 H new ATOM 0 HB2 LYS B 89 11.656 3.068 -7.400 1.00 1.29 H new ATOM 0 HB3 LYS B 89 13.277 3.721 -7.266 1.00 1.29 H new ATOM 0 HG2 LYS B 89 12.941 5.070 -9.328 1.00 2.48 H new ATOM 0 HG3 LYS B 89 11.355 4.362 -9.563 1.00 2.48 H new ATOM 0 HD2 LYS B 89 10.450 5.409 -7.628 1.00 2.79 H new ATOM 0 HD3 LYS B 89 12.029 5.685 -6.920 1.00 2.79 H new ATOM 0 HE2 LYS B 89 11.210 7.110 -9.469 1.00 4.28 H new ATOM 0 HE3 LYS B 89 10.697 7.710 -7.905 1.00 4.28 H new ATOM 0 HZ1 LYS B 89 12.677 8.814 -8.525 1.00 5.14 H new ATOM 0 HZ2 LYS B 89 13.068 7.763 -7.251 1.00 5.14 H new ATOM 0 HZ3 LYS B 89 13.484 7.355 -8.846 1.00 5.14 H new ATOM 3097 N LYS B 90 15.258 1.292 -8.608 1.00 1.61 N ATOM 3098 CA LYS B 90 16.463 0.640 -8.072 1.00 1.83 C ATOM 3099 C LYS B 90 16.775 0.757 -6.558 1.00 2.05 C ATOM 3100 O LYS B 90 17.736 0.130 -6.121 1.00 2.16 O ATOM 3101 CB LYS B 90 17.677 1.098 -8.907 1.00 2.09 C ATOM 3102 CG LYS B 90 17.824 2.627 -8.920 1.00 2.88 C ATOM 3103 CD LYS B 90 19.105 3.084 -9.634 1.00 3.42 C ATOM 3104 CE LYS B 90 19.083 4.597 -9.916 1.00 5.00 C ATOM 3105 NZ LYS B 90 19.086 5.418 -8.687 1.00 6.36 N ATOM 0 H LYS B 90 15.452 1.693 -9.526 1.00 1.61 H new ATOM 0 HA LYS B 90 16.243 -0.423 -8.165 1.00 1.83 H new ATOM 0 HB2 LYS B 90 18.585 0.650 -8.502 1.00 2.09 H new ATOM 0 HB3 LYS B 90 17.571 0.735 -9.929 1.00 2.09 H new ATOM 0 HG2 LYS B 90 16.958 3.069 -9.414 1.00 2.88 H new ATOM 0 HG3 LYS B 90 17.830 2.998 -7.895 1.00 2.88 H new ATOM 0 HD2 LYS B 90 19.972 2.840 -9.020 1.00 3.42 H new ATOM 0 HD3 LYS B 90 19.214 2.539 -10.572 1.00 3.42 H new ATOM 0 HE2 LYS B 90 19.950 4.860 -10.523 1.00 5.00 H new ATOM 0 HE3 LYS B 90 18.197 4.838 -10.504 1.00 5.00 H new ATOM 0 HZ1 LYS B 90 18.284 6.080 -8.710 1.00 6.36 H new ATOM 0 HZ2 LYS B 90 19.000 4.799 -7.856 1.00 6.36 H new ATOM 0 HZ3 LYS B 90 19.976 5.954 -8.630 1.00 6.36 H new ATOM 3119 N LYS B 91 16.107 1.658 -5.826 1.00 2.52 N ATOM 3120 CA LYS B 91 16.414 2.308 -4.541 1.00 2.74 C ATOM 3121 C LYS B 91 16.618 3.809 -4.818 1.00 2.24 C ATOM 3122 O LYS B 91 17.316 4.524 -4.100 1.00 2.32 O ATOM 3123 CB LYS B 91 17.577 1.651 -3.766 1.00 3.84 C ATOM 3124 CG LYS B 91 17.635 2.045 -2.278 1.00 4.90 C ATOM 3125 CD LYS B 91 16.752 1.152 -1.388 1.00 6.46 C ATOM 3126 CE LYS B 91 17.466 -0.156 -0.993 1.00 7.51 C ATOM 3127 NZ LYS B 91 16.652 -0.965 -0.061 1.00 9.28 N ATOM 0 H LYS B 91 15.209 1.997 -6.171 1.00 2.52 H new ATOM 0 HA LYS B 91 15.575 2.174 -3.858 1.00 2.74 H new ATOM 0 HB2 LYS B 91 17.485 0.568 -3.842 1.00 3.84 H new ATOM 0 HB3 LYS B 91 18.519 1.925 -4.242 1.00 3.84 H new ATOM 0 HG2 LYS B 91 18.667 1.987 -1.932 1.00 4.90 H new ATOM 0 HG3 LYS B 91 17.320 3.083 -2.169 1.00 4.90 H new ATOM 0 HD2 LYS B 91 16.474 1.700 -0.487 1.00 6.46 H new ATOM 0 HD3 LYS B 91 15.828 0.916 -1.915 1.00 6.46 H new ATOM 0 HE2 LYS B 91 17.679 -0.739 -1.889 1.00 7.51 H new ATOM 0 HE3 LYS B 91 18.424 0.078 -0.529 1.00 7.51 H new ATOM 0 HZ1 LYS B 91 17.278 -1.542 0.536 1.00 9.28 H new ATOM 0 HZ2 LYS B 91 16.084 -0.335 0.541 1.00 9.28 H new ATOM 0 HZ3 LYS B 91 16.020 -1.588 -0.603 1.00 9.28 H new ATOM 3141 N ASP B 92 15.976 4.306 -5.881 1.00 2.06 N ATOM 3142 CA ASP B 92 16.076 5.669 -6.368 1.00 2.19 C ATOM 3143 C ASP B 92 15.144 6.576 -5.554 1.00 2.10 C ATOM 3144 O ASP B 92 14.160 7.102 -6.081 1.00 2.67 O ATOM 3145 CB ASP B 92 15.715 5.628 -7.859 1.00 2.70 C ATOM 3146 CG ASP B 92 16.066 6.900 -8.599 1.00 3.11 C ATOM 3147 OD1 ASP B 92 17.277 7.201 -8.632 1.00 3.95 O ATOM 3148 OD2 ASP B 92 15.124 7.489 -9.172 1.00 3.70 O ATOM 0 H ASP B 92 15.346 3.735 -6.445 1.00 2.06 H new ATOM 0 HA ASP B 92 17.078 6.081 -6.252 1.00 2.19 H new ATOM 0 HB2 ASP B 92 16.232 4.790 -8.327 1.00 2.70 H new ATOM 0 HB3 ASP B 92 14.646 5.441 -7.961 1.00 2.70 H new ATOM 3153 N LEU B 93 15.429 6.708 -4.255 1.00 2.05 N ATOM 3154 CA LEU B 93 14.653 7.528 -3.329 1.00 2.31 C ATOM 3155 C LEU B 93 15.575 8.323 -2.396 1.00 2.22 C ATOM 3156 O LEU B 93 16.333 9.165 -2.868 1.00 3.02 O ATOM 3157 CB LEU B 93 13.585 6.685 -2.601 1.00 2.97 C ATOM 3158 CG LEU B 93 14.135 5.454 -1.851 1.00 3.77 C ATOM 3159 CD1 LEU B 93 13.434 5.281 -0.496 1.00 4.85 C ATOM 3160 CD2 LEU B 93 13.899 4.181 -2.666 1.00 4.63 C ATOM 0 H LEU B 93 16.220 6.239 -3.813 1.00 2.05 H new ATOM 0 HA LEU B 93 14.095 8.275 -3.894 1.00 2.31 H new ATOM 0 HB2 LEU B 93 13.062 7.323 -1.889 1.00 2.97 H new ATOM 0 HB3 LEU B 93 12.848 6.349 -3.330 1.00 2.97 H new ATOM 0 HG LEU B 93 15.202 5.616 -1.701 1.00 3.77 H new ATOM 0 HD11 LEU B 93 13.839 4.407 0.014 1.00 4.85 H new ATOM 0 HD12 LEU B 93 13.601 6.168 0.116 1.00 4.85 H new ATOM 0 HD13 LEU B 93 12.364 5.146 -0.655 1.00 4.85 H new ATOM 0 HD21 LEU B 93 14.293 3.323 -2.122 1.00 4.63 H new ATOM 0 HD22 LEU B 93 12.830 4.047 -2.830 1.00 4.63 H new ATOM 0 HD23 LEU B 93 14.406 4.265 -3.627 1.00 4.63 H new ATOM 3172 N LYS B 94 15.509 8.063 -1.084 1.00 2.22 N ATOM 3173 CA LYS B 94 16.125 8.873 -0.040 1.00 2.37 C ATOM 3174 C LYS B 94 15.572 10.314 -0.085 1.00 2.31 C ATOM 3175 O LYS B 94 14.520 10.538 -0.679 1.00 3.20 O ATOM 3176 CB LYS B 94 17.662 8.754 -0.103 1.00 3.07 C ATOM 3177 CG LYS B 94 18.189 7.309 -0.025 1.00 3.99 C ATOM 3178 CD LYS B 94 17.908 6.654 1.338 1.00 5.05 C ATOM 3179 CE LYS B 94 18.625 5.300 1.488 1.00 6.61 C ATOM 3180 NZ LYS B 94 18.480 4.737 2.848 1.00 7.72 N ATOM 0 H LYS B 94 15.008 7.255 -0.714 1.00 2.22 H new ATOM 0 HA LYS B 94 15.855 8.496 0.946 1.00 2.37 H new ATOM 0 HB2 LYS B 94 18.012 9.207 -1.031 1.00 3.07 H new ATOM 0 HB3 LYS B 94 18.093 9.330 0.715 1.00 3.07 H new ATOM 0 HG2 LYS B 94 17.727 6.714 -0.813 1.00 3.99 H new ATOM 0 HG3 LYS B 94 19.263 7.306 -0.212 1.00 3.99 H new ATOM 0 HD2 LYS B 94 18.229 7.324 2.135 1.00 5.05 H new ATOM 0 HD3 LYS B 94 16.834 6.510 1.456 1.00 5.05 H new ATOM 0 HE2 LYS B 94 18.222 4.595 0.760 1.00 6.61 H new ATOM 0 HE3 LYS B 94 19.683 5.424 1.259 1.00 6.61 H new ATOM 0 HZ1 LYS B 94 18.667 3.714 2.822 1.00 7.72 H new ATOM 0 HZ2 LYS B 94 19.158 5.197 3.488 1.00 7.72 H new ATOM 0 HZ3 LYS B 94 17.513 4.903 3.191 1.00 7.72 H new ATOM 3194 N ILE B 95 16.244 11.256 0.590 1.00 2.68 N ATOM 3195 CA ILE B 95 15.922 12.683 0.701 1.00 3.79 C ATOM 3196 C ILE B 95 14.416 13.008 0.786 1.00 4.43 C ATOM 3197 O ILE B 95 13.758 13.280 -0.215 1.00 6.04 O ATOM 3198 CB ILE B 95 16.717 13.500 -0.346 1.00 5.38 C ATOM 3199 CG1 ILE B 95 16.974 14.960 0.080 1.00 6.91 C ATOM 3200 CG2 ILE B 95 16.190 13.425 -1.788 1.00 6.27 C ATOM 3201 CD1 ILE B 95 15.732 15.796 0.412 1.00 8.00 C ATOM 0 H ILE B 95 17.089 11.022 1.111 1.00 2.68 H new ATOM 0 HA ILE B 95 16.264 13.013 1.682 1.00 3.79 H new ATOM 0 HB ILE B 95 17.677 12.985 -0.366 1.00 5.38 H new ATOM 0 HG12 ILE B 95 17.626 14.952 0.954 1.00 6.91 H new ATOM 0 HG13 ILE B 95 17.520 15.460 -0.720 1.00 6.91 H new ATOM 0 HG21 ILE B 95 16.820 14.033 -2.438 1.00 6.27 H new ATOM 0 HG22 ILE B 95 16.209 12.390 -2.129 1.00 6.27 H new ATOM 0 HG23 ILE B 95 15.167 13.799 -1.821 1.00 6.27 H new ATOM 0 HD11 ILE B 95 16.037 16.803 0.698 1.00 8.00 H new ATOM 0 HD12 ILE B 95 15.084 15.848 -0.463 1.00 8.00 H new ATOM 0 HD13 ILE B 95 15.191 15.333 1.237 1.00 8.00 H new ATOM 3213 N ARG B 96 13.869 13.068 2.007 1.00 4.01 N ATOM 3214 CA ARG B 96 12.548 13.644 2.236 1.00 5.22 C ATOM 3215 C ARG B 96 12.494 14.255 3.638 1.00 4.46 C ATOM 3216 O ARG B 96 12.429 13.535 4.633 1.00 4.58 O ATOM 3217 CB ARG B 96 11.452 12.591 1.989 1.00 6.97 C ATOM 3218 CG ARG B 96 10.091 13.209 1.615 1.00 9.05 C ATOM 3219 CD ARG B 96 9.055 13.198 2.748 1.00 10.36 C ATOM 3220 NE ARG B 96 9.458 13.980 3.926 1.00 10.40 N ATOM 3221 CZ ARG B 96 9.243 15.293 4.111 1.00 10.98 C ATOM 3222 NH1 ARG B 96 8.926 16.099 3.096 1.00 11.41 N ATOM 3223 NH2 ARG B 96 9.352 15.828 5.326 1.00 11.43 N ATOM 0 H ARG B 96 14.327 12.722 2.850 1.00 4.01 H new ATOM 0 HA ARG B 96 12.360 14.449 1.526 1.00 5.22 H new ATOM 0 HB2 ARG B 96 11.772 11.923 1.190 1.00 6.97 H new ATOM 0 HB3 ARG B 96 11.333 11.982 2.885 1.00 6.97 H new ATOM 0 HG2 ARG B 96 10.249 14.239 1.294 1.00 9.05 H new ATOM 0 HG3 ARG B 96 9.683 12.668 0.761 1.00 9.05 H new ATOM 0 HD2 ARG B 96 8.111 13.589 2.369 1.00 10.36 H new ATOM 0 HD3 ARG B 96 8.873 12.167 3.052 1.00 10.36 H new ATOM 0 HE ARG B 96 9.945 13.480 4.670 1.00 10.40 H new ATOM 0 HH11 ARG B 96 8.842 15.722 2.152 1.00 11.41 H new ATOM 0 HH12 ARG B 96 8.768 17.093 3.264 1.00 11.41 H new ATOM 0 HH21 ARG B 96 9.600 15.240 6.122 1.00 11.43 H new ATOM 0 HH22 ARG B 96 9.188 16.826 5.461 1.00 11.43 H new ATOM 3237 N LYS B 97 12.484 15.587 3.716 1.00 4.61 N ATOM 3238 CA LYS B 97 12.652 16.386 4.922 1.00 4.07 C ATOM 3239 C LYS B 97 12.448 17.830 4.465 1.00 5.09 C ATOM 3240 O LYS B 97 12.873 18.159 3.360 1.00 6.26 O ATOM 3241 CB LYS B 97 14.050 16.184 5.535 1.00 3.89 C ATOM 3242 CG LYS B 97 14.153 16.827 6.927 1.00 4.49 C ATOM 3243 CD LYS B 97 15.558 16.609 7.506 1.00 5.30 C ATOM 3244 CE LYS B 97 15.734 17.226 8.904 1.00 6.29 C ATOM 3245 NZ LYS B 97 14.955 16.523 9.947 1.00 6.40 N ATOM 0 H LYS B 97 12.350 16.167 2.888 1.00 4.61 H new ATOM 0 HA LYS B 97 11.946 16.102 5.703 1.00 4.07 H new ATOM 0 HB2 LYS B 97 14.266 15.118 5.609 1.00 3.89 H new ATOM 0 HB3 LYS B 97 14.803 16.617 4.877 1.00 3.89 H new ATOM 0 HG2 LYS B 97 13.940 17.894 6.860 1.00 4.49 H new ATOM 0 HG3 LYS B 97 13.406 16.394 7.592 1.00 4.49 H new ATOM 0 HD2 LYS B 97 15.761 15.539 7.559 1.00 5.30 H new ATOM 0 HD3 LYS B 97 16.295 17.041 6.829 1.00 5.30 H new ATOM 0 HE2 LYS B 97 16.790 17.208 9.173 1.00 6.29 H new ATOM 0 HE3 LYS B 97 15.430 18.272 8.874 1.00 6.29 H new ATOM 0 HZ1 LYS B 97 15.113 16.982 10.867 1.00 6.40 H new ATOM 0 HZ2 LYS B 97 13.943 16.561 9.710 1.00 6.40 H new ATOM 0 HZ3 LYS B 97 15.261 15.530 9.999 1.00 6.40 H new ATOM 3259 N LYS B 98 11.710 18.619 5.255 1.00 5.27 N ATOM 3260 CA LYS B 98 10.982 19.798 4.795 1.00 6.60 C ATOM 3261 C LYS B 98 9.768 19.269 4.021 1.00 7.36 C ATOM 3262 O LYS B 98 9.177 18.285 4.522 1.00 6.99 O ATOM 3263 CB LYS B 98 11.899 20.774 4.023 1.00 7.57 C ATOM 3264 CG LYS B 98 11.538 22.268 4.118 1.00 8.75 C ATOM 3265 CD LYS B 98 10.348 22.696 3.240 1.00 10.10 C ATOM 3266 CE LYS B 98 8.987 22.666 3.951 1.00 10.23 C ATOM 3267 NZ LYS B 98 8.821 23.778 4.908 1.00 10.06 N ATOM 3268 OXT LYS B 98 9.440 19.809 2.949 1.00 8.85 O ATOM 0 H LYS B 98 11.603 18.448 6.255 1.00 5.27 H new ATOM 0 HA LYS B 98 10.624 20.419 5.616 1.00 6.60 H new ATOM 0 HB2 LYS B 98 12.919 20.645 4.386 1.00 7.57 H new ATOM 0 HB3 LYS B 98 11.896 20.487 2.971 1.00 7.57 H new ATOM 0 HG2 LYS B 98 11.311 22.508 5.157 1.00 8.75 H new ATOM 0 HG3 LYS B 98 12.411 22.858 3.837 1.00 8.75 H new ATOM 0 HD2 LYS B 98 10.529 23.706 2.872 1.00 10.10 H new ATOM 0 HD3 LYS B 98 10.303 22.043 2.369 1.00 10.10 H new ATOM 0 HE2 LYS B 98 8.192 22.710 3.207 1.00 10.23 H new ATOM 0 HE3 LYS B 98 8.878 21.718 4.478 1.00 10.23 H new ATOM 0 HZ1 LYS B 98 7.887 23.711 5.360 1.00 10.06 H new ATOM 0 HZ2 LYS B 98 9.562 23.723 5.636 1.00 10.06 H new ATOM 0 HZ3 LYS B 98 8.897 24.684 4.404 1.00 10.06 H new TER 3282 LYS B 98 HETATM 3283 CA CA A 197 -2.170 11.865 -15.138 1.00 1.03 CA HETATM 3284 CA CA A 198 2.599 16.046 -4.646 1.00 1.21 CA HETATM 3285 CA CA B 199 2.940 -9.913 15.205 1.00 0.84 CA HETATM 3286 CA CA B 200 6.467 1.691 15.770 1.00 1.13 CA