USER MOD reduce.3.24.130724 H: found=0, std=0, add=1403, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1403 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 Set 1.1: B 61 LYS NZ :NH3+ 140:sc= 1.07 (180deg=-0.507) USER MOD Set 1.2: B 67 GLN : amide:sc= 0.629 K(o=1.7,f=-10!) USER MOD Set 2.1: B 60 MET CE :methyl 163:sc= -0.379 (180deg=-1.34) USER MOD Set 2.2: B 69 SER OG : rot 180:sc= 0 USER MOD Set 3.1: B 36 ASN : amide:sc= 1.78 K(o=3,f=-11!) USER MOD Set 3.2: B 39 LYS NZ :NH3+ 142:sc= 1.21 (180deg=-0.925) USER MOD Set 4.1: A 45 GLN : amide:sc= 0.91 K(o=2.6,f=-0.89) USER MOD Set 4.2: B 7 THR OG1 : rot -157:sc= 1.65 USER MOD Set 5.1: A 74 ASN : amide:sc= 1.48 K(o=3.8,f=-9.2!) USER MOD Set 5.2: B 85 LYS NZ :NH3+ 177:sc= 2.36 (180deg=1.07) USER MOD Set 6.1: A 60 MET CE :methyl 180:sc= -0.0899 (180deg=-0.0899) USER MOD Set 6.2: A 69 SER OG : rot 180:sc= 0 USER MOD Set 7.1: A 39 LYS NZ :NH3+ -160:sc= 1.16 (180deg=-0.182) USER MOD Set 7.2: A 43 THR OG1 : rot 76:sc= 1.62 USER MOD Set 8.1: A 7 THR OG1 : rot 123:sc= 1.59 USER MOD Set 8.2: B 45 GLN : amide:sc= 2.12 K(o=3.7,f=-2.2) USER MOD Single : A 12 SER OG : rot -75:sc= 1.12 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 80:sc= 1.19 USER MOD Single : A 22 THR OG1 : rot 180:sc= 1.01 USER MOD Single : A 26 GLN : amide:sc= 0.771 K(o=0.77,f=-4.6!) USER MOD Single : A 30 LYS NZ :NH3+ 169:sc=-0.00452 (180deg=-0.104) USER MOD Single : A 32 SER OG : rot 161:sc= 1.16 USER MOD Single : A 34 SER OG : rot -142:sc= 1.11 USER MOD Single : A 36 ASN : amide:sc= 2.07 K(o=2.1,f=-0.28) USER MOD Single : A 44 GLN : amide:sc= -0.0241 X(o=-0.024,f=0) USER MOD Single : A 48 HIS : no HE2:sc= 0.307 K(o=0.31,f=-2.8!) USER MOD Single : A 51 LYS NZ :NH3+ -164:sc= 1.13 (180deg=-0.0392) USER MOD Single : A 55 SER OG : rot -57:sc= 0.537 USER MOD Single : A 59 LYS NZ :NH3+ -155:sc= 1.55 (180deg=0.253) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.0274 X(o=-0.027,f=-0.43) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0.85 (180deg=0.85) USER MOD Single : A 76 TYR OH : rot 30:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -179:sc= 0.3 (180deg=0.227) USER MOD Single : A 89 LYS NZ :NH3+ 154:sc= 2.4 (180deg=1.94) USER MOD Single : B 12 SER OG : rot -90:sc= 0 USER MOD Single : B 15 THR OG1 : rot 180:sc= 0 USER MOD Single : B 18 THR OG1 : rot 180:sc= 0 USER MOD Single : B 19 THR OG1 : rot 72:sc= 1.22 USER MOD Single : B 22 THR OG1 : rot 180:sc= 0.252 USER MOD Single : B 26 GLN : amide:sc= 1.98 K(o=2,f=-13!) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot -147:sc= 1.25 USER MOD Single : B 34 SER OG : rot 180:sc= 0.362 USER MOD Single : B 43 THR OG1 : rot 80:sc= 1.03 USER MOD Single : B 44 GLN : amide:sc= -0.125 X(o=-0.13,f=0) USER MOD Single : B 48 HIS : no HD1:sc= -0.0113 X(o=-0.011,f=0) USER MOD Single : B 51 LYS NZ :NH3+ -154:sc= 1.25 (180deg=0.864) USER MOD Single : B 55 SER OG : rot 113:sc= 1.19 USER MOD Single : B 59 LYS NZ :NH3+ -173:sc= 2.05 (180deg=1.57) USER MOD Single : B 62 SER OG : rot 180:sc= 0 USER MOD Single : B 66 ASN : amide:sc= 0.7 K(o=0.7,f=-1.4) USER MOD Single : B 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 74 ASN : amide:sc= -0.508 K(o=-0.51,f=-4.5!) USER MOD Single : B 76 TYR OH : rot 180:sc= 0 USER MOD Single : B 89 LYS NZ :NH3+ -178:sc= 0.715 (180deg=0.703) USER MOD ----------------------------------------------------------------- ATOM 40 N GLU A 4 6.855 -17.832 -15.343 1.00 2.37 N ATOM 41 CA GLU A 4 7.663 -17.862 -14.139 1.00 2.28 C ATOM 42 C GLU A 4 6.850 -17.256 -12.983 1.00 2.13 C ATOM 43 O GLU A 4 6.511 -16.075 -13.042 1.00 2.01 O ATOM 44 CB GLU A 4 9.020 -17.158 -14.372 1.00 2.45 C ATOM 45 CG GLU A 4 9.117 -16.200 -15.578 1.00 2.60 C ATOM 46 CD GLU A 4 9.202 -16.926 -16.921 1.00 3.49 C ATOM 47 OE1 GLU A 4 10.302 -17.413 -17.250 1.00 4.17 O ATOM 48 OE2 GLU A 4 8.134 -17.020 -17.569 1.00 4.35 O ATOM 0 HA GLU A 4 7.909 -18.889 -13.869 1.00 2.28 H new ATOM 0 HB2 GLU A 4 9.268 -16.595 -13.472 1.00 2.45 H new ATOM 0 HB3 GLU A 4 9.784 -17.926 -14.488 1.00 2.45 H new ATOM 0 HG2 GLU A 4 8.247 -15.543 -15.582 1.00 2.60 H new ATOM 0 HG3 GLU A 4 9.995 -15.565 -15.460 1.00 2.60 H new ATOM 55 N PRO A 5 6.494 -18.039 -11.949 1.00 2.35 N ATOM 56 CA PRO A 5 5.612 -17.579 -10.893 1.00 2.36 C ATOM 57 C PRO A 5 6.370 -16.645 -9.948 1.00 2.02 C ATOM 58 O PRO A 5 7.169 -17.102 -9.133 1.00 2.39 O ATOM 59 CB PRO A 5 5.133 -18.852 -10.188 1.00 2.87 C ATOM 60 CG PRO A 5 6.297 -19.825 -10.379 1.00 3.03 C ATOM 61 CD PRO A 5 6.847 -19.438 -11.752 1.00 2.78 C ATOM 0 HA PRO A 5 4.765 -17.004 -11.268 1.00 2.36 H new ATOM 0 HB2 PRO A 5 4.928 -18.673 -9.132 1.00 2.87 H new ATOM 0 HB3 PRO A 5 4.213 -19.234 -10.631 1.00 2.87 H new ATOM 0 HG2 PRO A 5 7.048 -19.714 -9.597 1.00 3.03 H new ATOM 0 HG3 PRO A 5 5.964 -20.863 -10.356 1.00 3.03 H new ATOM 0 HD2 PRO A 5 7.927 -19.577 -11.792 1.00 2.78 H new ATOM 0 HD3 PRO A 5 6.416 -20.063 -12.535 1.00 2.78 H new ATOM 69 N LEU A 6 6.106 -15.340 -10.042 1.00 1.46 N ATOM 70 CA LEU A 6 6.560 -14.371 -9.056 1.00 1.36 C ATOM 71 C LEU A 6 5.609 -14.434 -7.846 1.00 1.25 C ATOM 72 O LEU A 6 4.522 -15.001 -7.950 1.00 1.25 O ATOM 73 CB LEU A 6 6.735 -12.979 -9.701 1.00 1.31 C ATOM 74 CG LEU A 6 6.091 -12.716 -11.077 1.00 1.42 C ATOM 75 CD1 LEU A 6 4.568 -12.609 -10.955 1.00 2.82 C ATOM 76 CD2 LEU A 6 6.621 -11.382 -11.624 1.00 1.93 C ATOM 0 H LEU A 6 5.570 -14.930 -10.807 1.00 1.46 H new ATOM 0 HA LEU A 6 7.555 -14.608 -8.678 1.00 1.36 H new ATOM 0 HB2 LEU A 6 6.340 -12.240 -9.004 1.00 1.31 H new ATOM 0 HB3 LEU A 6 7.804 -12.790 -9.795 1.00 1.31 H new ATOM 0 HG LEU A 6 6.341 -13.544 -11.741 1.00 1.42 H new ATOM 0 HD11 LEU A 6 4.136 -12.423 -11.939 1.00 2.82 H new ATOM 0 HD12 LEU A 6 4.169 -13.540 -10.553 1.00 2.82 H new ATOM 0 HD13 LEU A 6 4.313 -11.787 -10.286 1.00 2.82 H new ATOM 0 HD21 LEU A 6 6.173 -11.184 -12.598 1.00 1.93 H new ATOM 0 HD22 LEU A 6 6.362 -10.578 -10.935 1.00 1.93 H new ATOM 0 HD23 LEU A 6 7.705 -11.436 -11.728 1.00 1.93 H new ATOM 88 N THR A 7 6.021 -13.941 -6.672 1.00 1.35 N ATOM 89 CA THR A 7 5.202 -14.076 -5.462 1.00 1.47 C ATOM 90 C THR A 7 3.889 -13.308 -5.619 1.00 1.27 C ATOM 91 O THR A 7 3.837 -12.304 -6.321 1.00 1.23 O ATOM 92 CB THR A 7 5.946 -13.654 -4.170 1.00 1.80 C ATOM 93 OG1 THR A 7 5.032 -13.254 -3.160 1.00 2.87 O ATOM 94 CG2 THR A 7 6.915 -12.493 -4.369 1.00 0.92 C ATOM 0 H THR A 7 6.905 -13.451 -6.535 1.00 1.35 H new ATOM 0 HA THR A 7 4.982 -15.137 -5.348 1.00 1.47 H new ATOM 0 HB THR A 7 6.509 -14.541 -3.879 1.00 1.80 H new ATOM 0 HG1 THR A 7 5.175 -13.796 -2.356 1.00 2.87 H new ATOM 0 HG21 THR A 7 7.397 -12.255 -3.421 1.00 0.92 H new ATOM 0 HG22 THR A 7 7.672 -12.773 -5.101 1.00 0.92 H new ATOM 0 HG23 THR A 7 6.369 -11.620 -4.727 1.00 0.92 H new ATOM 102 N GLU A 8 2.859 -13.729 -4.880 1.00 1.43 N ATOM 103 CA GLU A 8 1.674 -12.944 -4.564 1.00 1.38 C ATOM 104 C GLU A 8 1.986 -11.462 -4.415 1.00 1.06 C ATOM 105 O GLU A 8 1.272 -10.608 -4.941 1.00 1.13 O ATOM 106 CB GLU A 8 1.142 -13.431 -3.217 1.00 1.59 C ATOM 107 CG GLU A 8 0.431 -14.763 -3.409 1.00 1.39 C ATOM 108 CD GLU A 8 0.182 -15.450 -2.071 1.00 1.58 C ATOM 109 OE1 GLU A 8 1.166 -15.549 -1.301 1.00 1.93 O ATOM 110 OE2 GLU A 8 -0.973 -15.868 -1.846 1.00 2.11 O ATOM 0 H GLU A 8 2.832 -14.663 -4.472 1.00 1.43 H new ATOM 0 HA GLU A 8 0.959 -13.068 -5.377 1.00 1.38 H new ATOM 0 HB2 GLU A 8 1.962 -13.542 -2.508 1.00 1.59 H new ATOM 0 HB3 GLU A 8 0.455 -12.696 -2.797 1.00 1.59 H new ATOM 0 HG2 GLU A 8 -0.518 -14.602 -3.921 1.00 1.39 H new ATOM 0 HG3 GLU A 8 1.032 -15.411 -4.048 1.00 1.39 H new ATOM 117 N LEU A 9 3.025 -11.152 -3.642 1.00 0.81 N ATOM 118 CA LEU A 9 3.333 -9.768 -3.355 1.00 0.64 C ATOM 119 C LEU A 9 3.792 -9.052 -4.630 1.00 0.58 C ATOM 120 O LEU A 9 3.276 -7.977 -4.909 1.00 0.56 O ATOM 121 CB LEU A 9 4.266 -9.672 -2.142 1.00 0.57 C ATOM 122 CG LEU A 9 3.411 -9.747 -0.858 1.00 0.67 C ATOM 123 CD1 LEU A 9 4.145 -10.445 0.284 1.00 1.07 C ATOM 124 CD2 LEU A 9 2.987 -8.348 -0.394 1.00 1.27 C ATOM 0 H LEU A 9 3.653 -11.832 -3.214 1.00 0.81 H new ATOM 0 HA LEU A 9 2.442 -9.221 -3.048 1.00 0.64 H new ATOM 0 HB2 LEU A 9 4.995 -10.483 -2.160 1.00 0.57 H new ATOM 0 HB3 LEU A 9 4.827 -8.738 -2.169 1.00 0.57 H new ATOM 0 HG LEU A 9 2.528 -10.333 -1.113 1.00 0.67 H new ATOM 0 HD11 LEU A 9 3.504 -10.473 1.165 1.00 1.07 H new ATOM 0 HD12 LEU A 9 4.398 -11.463 -0.014 1.00 1.07 H new ATOM 0 HD13 LEU A 9 5.058 -9.898 0.518 1.00 1.07 H new ATOM 0 HD21 LEU A 9 2.386 -8.432 0.512 1.00 1.27 H new ATOM 0 HD22 LEU A 9 3.874 -7.749 -0.187 1.00 1.27 H new ATOM 0 HD23 LEU A 9 2.399 -7.868 -1.176 1.00 1.27 H new ATOM 136 N GLU A 10 4.673 -9.658 -5.433 1.00 0.64 N ATOM 137 CA GLU A 10 5.088 -9.182 -6.750 1.00 0.64 C ATOM 138 C GLU A 10 3.880 -9.038 -7.690 1.00 0.66 C ATOM 139 O GLU A 10 3.669 -7.968 -8.262 1.00 0.64 O ATOM 140 CB GLU A 10 6.137 -10.134 -7.341 1.00 0.77 C ATOM 141 CG GLU A 10 7.526 -9.956 -6.706 1.00 1.12 C ATOM 142 CD GLU A 10 8.509 -11.071 -7.067 1.00 1.38 C ATOM 143 OE1 GLU A 10 8.059 -12.235 -7.143 1.00 2.46 O ATOM 144 OE2 GLU A 10 9.702 -10.743 -7.242 1.00 1.67 O ATOM 0 H GLU A 10 5.133 -10.529 -5.169 1.00 0.64 H new ATOM 0 HA GLU A 10 5.536 -8.194 -6.640 1.00 0.64 H new ATOM 0 HB2 GLU A 10 5.807 -11.163 -7.201 1.00 0.77 H new ATOM 0 HB3 GLU A 10 6.209 -9.966 -8.416 1.00 0.77 H new ATOM 0 HG2 GLU A 10 7.942 -8.999 -7.023 1.00 1.12 H new ATOM 0 HG3 GLU A 10 7.419 -9.914 -5.622 1.00 1.12 H new ATOM 151 N GLU A 11 3.084 -10.104 -7.836 1.00 0.71 N ATOM 152 CA GLU A 11 1.858 -10.114 -8.626 1.00 0.75 C ATOM 153 C GLU A 11 1.025 -8.875 -8.272 1.00 0.66 C ATOM 154 O GLU A 11 0.741 -8.021 -9.115 1.00 0.63 O ATOM 155 CB GLU A 11 1.042 -11.385 -8.320 1.00 0.98 C ATOM 156 CG GLU A 11 1.643 -12.675 -8.899 1.00 1.35 C ATOM 157 CD GLU A 11 1.323 -12.884 -10.377 1.00 2.03 C ATOM 158 OE1 GLU A 11 0.858 -11.914 -11.014 1.00 2.06 O ATOM 159 OE2 GLU A 11 1.529 -14.026 -10.842 1.00 3.36 O ATOM 0 H GLU A 11 3.284 -11.002 -7.396 1.00 0.71 H new ATOM 0 HA GLU A 11 2.111 -10.103 -9.686 1.00 0.75 H new ATOM 0 HB2 GLU A 11 0.951 -11.493 -7.239 1.00 0.98 H new ATOM 0 HB3 GLU A 11 0.033 -11.259 -8.714 1.00 0.98 H new ATOM 0 HG2 GLU A 11 2.725 -12.653 -8.769 1.00 1.35 H new ATOM 0 HG3 GLU A 11 1.271 -13.527 -8.330 1.00 1.35 H new ATOM 166 N SER A 12 0.642 -8.770 -6.995 1.00 0.71 N ATOM 167 CA SER A 12 -0.200 -7.673 -6.538 1.00 0.73 C ATOM 168 C SER A 12 0.451 -6.297 -6.749 1.00 0.60 C ATOM 169 O SER A 12 -0.196 -5.397 -7.287 1.00 0.69 O ATOM 170 CB SER A 12 -0.661 -7.891 -5.093 1.00 0.89 C ATOM 171 OG SER A 12 0.444 -8.067 -4.235 1.00 1.40 O ATOM 0 H SER A 12 0.904 -9.433 -6.265 1.00 0.71 H new ATOM 0 HA SER A 12 -1.092 -7.673 -7.164 1.00 0.73 H new ATOM 0 HB2 SER A 12 -1.251 -7.036 -4.762 1.00 0.89 H new ATOM 0 HB3 SER A 12 -1.310 -8.765 -5.042 1.00 0.89 H new ATOM 0 HG SER A 12 0.819 -8.963 -4.364 1.00 1.40 H new ATOM 177 N ILE A 13 1.711 -6.090 -6.345 1.00 0.50 N ATOM 178 CA ILE A 13 2.313 -4.773 -6.483 1.00 0.50 C ATOM 179 C ILE A 13 2.388 -4.385 -7.959 1.00 0.52 C ATOM 180 O ILE A 13 2.069 -3.246 -8.299 1.00 0.59 O ATOM 181 CB ILE A 13 3.611 -4.612 -5.668 1.00 0.52 C ATOM 182 CG1 ILE A 13 4.665 -5.681 -5.959 1.00 0.56 C ATOM 183 CG2 ILE A 13 3.216 -4.629 -4.181 1.00 0.55 C ATOM 184 CD1 ILE A 13 5.703 -5.221 -6.960 1.00 0.58 C ATOM 0 H ILE A 13 2.314 -6.801 -5.932 1.00 0.50 H new ATOM 0 HA ILE A 13 1.665 -4.030 -6.018 1.00 0.50 H new ATOM 0 HB ILE A 13 4.084 -3.672 -5.953 1.00 0.52 H new ATOM 0 HG12 ILE A 13 5.161 -5.959 -5.029 1.00 0.56 H new ATOM 0 HG13 ILE A 13 4.173 -6.577 -6.338 1.00 0.56 H new ATOM 0 HG21 ILE A 13 4.109 -4.517 -3.566 1.00 0.55 H new ATOM 0 HG22 ILE A 13 2.530 -3.807 -3.977 1.00 0.55 H new ATOM 0 HG23 ILE A 13 2.729 -5.575 -3.945 1.00 0.55 H new ATOM 0 HD11 ILE A 13 6.425 -6.020 -7.128 1.00 0.58 H new ATOM 0 HD12 ILE A 13 5.214 -4.970 -7.901 1.00 0.58 H new ATOM 0 HD13 ILE A 13 6.218 -4.342 -6.572 1.00 0.58 H new ATOM 196 N GLU A 14 2.698 -5.325 -8.858 1.00 0.50 N ATOM 197 CA GLU A 14 2.631 -5.016 -10.276 1.00 0.53 C ATOM 198 C GLU A 14 1.195 -4.656 -10.686 1.00 0.56 C ATOM 199 O GLU A 14 0.989 -3.623 -11.323 1.00 0.57 O ATOM 200 CB GLU A 14 3.247 -6.122 -11.141 1.00 0.57 C ATOM 201 CG GLU A 14 3.630 -5.517 -12.502 1.00 0.60 C ATOM 202 CD GLU A 14 4.290 -6.529 -13.426 1.00 1.85 C ATOM 203 OE1 GLU A 14 5.409 -6.960 -13.078 1.00 3.36 O ATOM 204 OE2 GLU A 14 3.678 -6.819 -14.476 1.00 2.39 O ATOM 0 H GLU A 14 2.989 -6.276 -8.632 1.00 0.50 H new ATOM 0 HA GLU A 14 3.245 -4.134 -10.459 1.00 0.53 H new ATOM 0 HB2 GLU A 14 4.126 -6.541 -10.651 1.00 0.57 H new ATOM 0 HB3 GLU A 14 2.537 -6.938 -11.275 1.00 0.57 H new ATOM 0 HG2 GLU A 14 2.736 -5.119 -12.983 1.00 0.60 H new ATOM 0 HG3 GLU A 14 4.308 -4.678 -12.345 1.00 0.60 H new ATOM 211 N THR A 15 0.196 -5.466 -10.304 1.00 0.61 N ATOM 212 CA THR A 15 -1.194 -5.231 -10.708 1.00 0.68 C ATOM 213 C THR A 15 -1.674 -3.822 -10.303 1.00 0.71 C ATOM 214 O THR A 15 -2.329 -3.113 -11.072 1.00 0.83 O ATOM 215 CB THR A 15 -2.129 -6.387 -10.284 1.00 0.78 C ATOM 216 OG1 THR A 15 -3.031 -6.652 -11.339 1.00 1.22 O ATOM 217 CG2 THR A 15 -2.970 -6.143 -9.026 1.00 0.95 C ATOM 0 H THR A 15 0.327 -6.289 -9.716 1.00 0.61 H new ATOM 0 HA THR A 15 -1.237 -5.238 -11.797 1.00 0.68 H new ATOM 0 HB THR A 15 -1.459 -7.215 -10.054 1.00 0.78 H new ATOM 0 HG1 THR A 15 -3.628 -7.385 -11.082 1.00 1.22 H new ATOM 0 HG21 THR A 15 -3.586 -7.019 -8.825 1.00 0.95 H new ATOM 0 HG22 THR A 15 -2.311 -5.960 -8.177 1.00 0.95 H new ATOM 0 HG23 THR A 15 -3.612 -5.276 -9.180 1.00 0.95 H new ATOM 225 N VAL A 16 -1.306 -3.364 -9.105 1.00 0.65 N ATOM 226 CA VAL A 16 -1.655 -2.010 -8.681 1.00 0.69 C ATOM 227 C VAL A 16 -0.777 -0.969 -9.383 1.00 0.69 C ATOM 228 O VAL A 16 -1.286 0.089 -9.742 1.00 0.78 O ATOM 229 CB VAL A 16 -1.728 -1.830 -7.155 1.00 0.68 C ATOM 230 CG1 VAL A 16 -2.674 -2.862 -6.528 1.00 0.68 C ATOM 231 CG2 VAL A 16 -0.363 -1.896 -6.476 1.00 0.64 C ATOM 0 H VAL A 16 -0.774 -3.903 -8.421 1.00 0.65 H new ATOM 0 HA VAL A 16 -2.680 -1.835 -9.008 1.00 0.69 H new ATOM 0 HB VAL A 16 -2.120 -0.827 -6.988 1.00 0.68 H new ATOM 0 HG11 VAL A 16 -2.709 -2.715 -5.449 1.00 0.68 H new ATOM 0 HG12 VAL A 16 -3.674 -2.739 -6.944 1.00 0.68 H new ATOM 0 HG13 VAL A 16 -2.312 -3.867 -6.746 1.00 0.68 H new ATOM 0 HG21 VAL A 16 -0.484 -1.762 -5.401 1.00 0.64 H new ATOM 0 HG22 VAL A 16 0.094 -2.866 -6.671 1.00 0.64 H new ATOM 0 HG23 VAL A 16 0.278 -1.107 -6.870 1.00 0.64 H new ATOM 241 N VAL A 17 0.513 -1.243 -9.620 1.00 0.60 N ATOM 242 CA VAL A 17 1.368 -0.343 -10.394 1.00 0.57 C ATOM 243 C VAL A 17 0.767 -0.086 -11.781 1.00 0.58 C ATOM 244 O VAL A 17 0.698 1.063 -12.214 1.00 0.61 O ATOM 245 CB VAL A 17 2.814 -0.872 -10.467 1.00 0.52 C ATOM 246 CG1 VAL A 17 3.651 -0.185 -11.556 1.00 0.51 C ATOM 247 CG2 VAL A 17 3.519 -0.637 -9.125 1.00 0.61 C ATOM 0 H VAL A 17 0.985 -2.083 -9.285 1.00 0.60 H new ATOM 0 HA VAL A 17 1.415 0.617 -9.880 1.00 0.57 H new ATOM 0 HB VAL A 17 2.739 -1.933 -10.706 1.00 0.52 H new ATOM 0 HG11 VAL A 17 4.659 -0.601 -11.557 1.00 0.51 H new ATOM 0 HG12 VAL A 17 3.189 -0.351 -12.529 1.00 0.51 H new ATOM 0 HG13 VAL A 17 3.700 0.885 -11.356 1.00 0.51 H new ATOM 0 HG21 VAL A 17 4.541 -1.012 -9.180 1.00 0.61 H new ATOM 0 HG22 VAL A 17 3.536 0.430 -8.905 1.00 0.61 H new ATOM 0 HG23 VAL A 17 2.982 -1.162 -8.335 1.00 0.61 H new ATOM 257 N THR A 18 0.322 -1.127 -12.488 1.00 0.60 N ATOM 258 CA THR A 18 -0.290 -0.936 -13.799 1.00 0.66 C ATOM 259 C THR A 18 -1.602 -0.142 -13.681 1.00 0.69 C ATOM 260 O THR A 18 -1.819 0.792 -14.457 1.00 0.72 O ATOM 261 CB THR A 18 -0.405 -2.262 -14.571 1.00 0.70 C ATOM 262 OG1 THR A 18 -0.912 -2.036 -15.870 1.00 0.79 O ATOM 263 CG2 THR A 18 -1.278 -3.299 -13.872 1.00 0.69 C ATOM 0 H THR A 18 0.374 -2.097 -12.178 1.00 0.60 H new ATOM 0 HA THR A 18 0.368 -0.319 -14.412 1.00 0.66 H new ATOM 0 HB THR A 18 0.606 -2.666 -14.619 1.00 0.70 H new ATOM 0 HG1 THR A 18 -0.978 -2.889 -16.348 1.00 0.79 H new ATOM 0 HG21 THR A 18 -1.314 -4.208 -14.472 1.00 0.69 H new ATOM 0 HG22 THR A 18 -0.858 -3.527 -12.892 1.00 0.69 H new ATOM 0 HG23 THR A 18 -2.287 -2.904 -13.751 1.00 0.69 H new ATOM 271 N THR A 19 -2.450 -0.451 -12.688 1.00 0.72 N ATOM 272 CA THR A 19 -3.679 0.300 -12.472 1.00 0.79 C ATOM 273 C THR A 19 -3.357 1.786 -12.252 1.00 0.80 C ATOM 274 O THR A 19 -3.882 2.653 -12.952 1.00 0.83 O ATOM 275 CB THR A 19 -4.482 -0.330 -11.324 1.00 0.83 C ATOM 276 OG1 THR A 19 -4.664 -1.709 -11.577 1.00 0.84 O ATOM 277 CG2 THR A 19 -5.879 0.284 -11.228 1.00 0.93 C ATOM 0 H THR A 19 -2.301 -1.214 -12.028 1.00 0.72 H new ATOM 0 HA THR A 19 -4.312 0.251 -13.358 1.00 0.79 H new ATOM 0 HB THR A 19 -3.927 -0.155 -10.402 1.00 0.83 H new ATOM 0 HG1 THR A 19 -3.849 -2.196 -11.334 1.00 0.84 H new ATOM 0 HG21 THR A 19 -6.425 -0.181 -10.407 1.00 0.93 H new ATOM 0 HG22 THR A 19 -5.794 1.355 -11.047 1.00 0.93 H new ATOM 0 HG23 THR A 19 -6.415 0.116 -12.162 1.00 0.93 H new ATOM 285 N PHE A 20 -2.445 2.077 -11.319 1.00 0.79 N ATOM 286 CA PHE A 20 -1.877 3.404 -11.119 1.00 0.79 C ATOM 287 C PHE A 20 -1.484 4.009 -12.465 1.00 0.73 C ATOM 288 O PHE A 20 -1.965 5.081 -12.815 1.00 0.77 O ATOM 289 CB PHE A 20 -0.675 3.321 -10.161 1.00 0.79 C ATOM 290 CG PHE A 20 0.300 4.485 -10.229 1.00 1.29 C ATOM 291 CD1 PHE A 20 -0.027 5.713 -9.632 1.00 2.50 C ATOM 292 CD2 PHE A 20 1.526 4.351 -10.913 1.00 2.46 C ATOM 293 CE1 PHE A 20 0.910 6.760 -9.608 1.00 3.15 C ATOM 294 CE2 PHE A 20 2.412 5.441 -10.992 1.00 3.19 C ATOM 295 CZ PHE A 20 2.110 6.643 -10.326 1.00 3.09 C ATOM 0 H PHE A 20 -2.077 1.380 -10.672 1.00 0.79 H new ATOM 0 HA PHE A 20 -2.622 4.057 -10.664 1.00 0.79 H new ATOM 0 HB2 PHE A 20 -1.051 3.244 -9.141 1.00 0.79 H new ATOM 0 HB3 PHE A 20 -0.130 2.401 -10.370 1.00 0.79 H new ATOM 0 HD1 PHE A 20 -1.002 5.853 -9.190 1.00 2.50 H new ATOM 0 HD2 PHE A 20 1.785 3.411 -11.377 1.00 2.46 H new ATOM 0 HE1 PHE A 20 0.707 7.654 -9.037 1.00 3.15 H new ATOM 0 HE2 PHE A 20 3.324 5.355 -11.564 1.00 3.19 H new ATOM 0 HZ PHE A 20 2.800 7.473 -10.367 1.00 3.09 H new ATOM 305 N PHE A 21 -0.634 3.314 -13.224 1.00 0.67 N ATOM 306 CA PHE A 21 -0.090 3.810 -14.479 1.00 0.67 C ATOM 307 C PHE A 21 -1.198 4.267 -15.430 1.00 0.84 C ATOM 308 O PHE A 21 -1.148 5.392 -15.933 1.00 0.92 O ATOM 309 CB PHE A 21 0.812 2.751 -15.125 1.00 0.74 C ATOM 310 CG PHE A 21 1.663 3.294 -16.256 1.00 1.21 C ATOM 311 CD1 PHE A 21 2.907 3.889 -15.972 1.00 1.88 C ATOM 312 CD2 PHE A 21 1.195 3.251 -17.582 1.00 2.75 C ATOM 313 CE1 PHE A 21 3.695 4.408 -17.014 1.00 2.43 C ATOM 314 CE2 PHE A 21 1.983 3.771 -18.623 1.00 3.51 C ATOM 315 CZ PHE A 21 3.237 4.341 -18.342 1.00 2.93 C ATOM 0 H PHE A 21 -0.304 2.381 -12.977 1.00 0.67 H new ATOM 0 HA PHE A 21 0.520 4.687 -14.263 1.00 0.67 H new ATOM 0 HB2 PHE A 21 1.464 2.325 -14.362 1.00 0.74 H new ATOM 0 HB3 PHE A 21 0.192 1.939 -15.504 1.00 0.74 H new ATOM 0 HD1 PHE A 21 3.256 3.947 -14.952 1.00 1.88 H new ATOM 0 HD2 PHE A 21 0.230 2.818 -17.800 1.00 2.75 H new ATOM 0 HE1 PHE A 21 4.652 4.858 -16.795 1.00 2.43 H new ATOM 0 HE2 PHE A 21 1.624 3.733 -19.641 1.00 3.51 H new ATOM 0 HZ PHE A 21 3.848 4.727 -19.145 1.00 2.93 H new ATOM 325 N THR A 22 -2.206 3.421 -15.680 1.00 0.97 N ATOM 326 CA THR A 22 -3.269 3.802 -16.604 1.00 1.20 C ATOM 327 C THR A 22 -4.007 5.058 -16.127 1.00 1.26 C ATOM 328 O THR A 22 -4.339 5.900 -16.958 1.00 1.44 O ATOM 329 CB THR A 22 -4.200 2.639 -16.992 1.00 1.36 C ATOM 330 OG1 THR A 22 -5.107 3.050 -18.005 1.00 2.34 O ATOM 331 CG2 THR A 22 -4.995 2.066 -15.821 1.00 2.40 C ATOM 0 H THR A 22 -2.303 2.494 -15.266 1.00 0.97 H new ATOM 0 HA THR A 22 -2.784 4.069 -17.543 1.00 1.20 H new ATOM 0 HB THR A 22 -3.544 1.847 -17.354 1.00 1.36 H new ATOM 0 HG1 THR A 22 -5.692 2.301 -18.244 1.00 2.34 H new ATOM 0 HG21 THR A 22 -5.627 1.251 -16.174 1.00 2.40 H new ATOM 0 HG22 THR A 22 -4.307 1.690 -15.064 1.00 2.40 H new ATOM 0 HG23 THR A 22 -5.619 2.848 -15.388 1.00 2.40 H new ATOM 339 N PHE A 23 -4.224 5.248 -14.822 1.00 1.23 N ATOM 340 CA PHE A 23 -4.753 6.531 -14.358 1.00 1.33 C ATOM 341 C PHE A 23 -3.712 7.641 -14.505 1.00 1.20 C ATOM 342 O PHE A 23 -4.031 8.756 -14.890 1.00 1.40 O ATOM 343 CB PHE A 23 -5.272 6.432 -12.917 1.00 1.44 C ATOM 344 CG PHE A 23 -6.583 5.676 -12.796 1.00 1.31 C ATOM 345 CD1 PHE A 23 -7.787 6.297 -13.178 1.00 2.29 C ATOM 346 CD2 PHE A 23 -6.595 4.336 -12.374 1.00 2.11 C ATOM 347 CE1 PHE A 23 -8.989 5.567 -13.168 1.00 2.41 C ATOM 348 CE2 PHE A 23 -7.784 3.589 -12.427 1.00 2.50 C ATOM 349 CZ PHE A 23 -8.985 4.210 -12.806 1.00 2.04 C ATOM 0 H PHE A 23 -4.049 4.557 -14.092 1.00 1.23 H new ATOM 0 HA PHE A 23 -5.601 6.790 -14.991 1.00 1.33 H new ATOM 0 HB2 PHE A 23 -4.519 5.939 -12.301 1.00 1.44 H new ATOM 0 HB3 PHE A 23 -5.403 7.437 -12.517 1.00 1.44 H new ATOM 0 HD1 PHE A 23 -7.788 7.334 -13.479 1.00 2.29 H new ATOM 0 HD2 PHE A 23 -5.688 3.879 -12.008 1.00 2.11 H new ATOM 0 HE1 PHE A 23 -9.916 6.050 -13.439 1.00 2.41 H new ATOM 0 HE2 PHE A 23 -7.774 2.538 -12.177 1.00 2.50 H new ATOM 0 HZ PHE A 23 -9.905 3.645 -12.819 1.00 2.04 H new ATOM 359 N ALA A 24 -2.451 7.353 -14.211 1.00 0.96 N ATOM 360 CA ALA A 24 -1.400 8.344 -14.071 1.00 0.98 C ATOM 361 C ALA A 24 -1.189 9.119 -15.361 1.00 1.06 C ATOM 362 O ALA A 24 -0.798 10.287 -15.313 1.00 1.14 O ATOM 363 CB ALA A 24 -0.096 7.678 -13.622 1.00 0.85 C ATOM 0 H ALA A 24 -2.126 6.398 -14.060 1.00 0.96 H new ATOM 0 HA ALA A 24 -1.712 9.056 -13.307 1.00 0.98 H new ATOM 0 HB1 ALA A 24 0.683 8.434 -13.521 1.00 0.85 H new ATOM 0 HB2 ALA A 24 -0.251 7.186 -12.662 1.00 0.85 H new ATOM 0 HB3 ALA A 24 0.209 6.939 -14.363 1.00 0.85 H new ATOM 369 N ARG A 25 -1.415 8.466 -16.502 1.00 1.07 N ATOM 370 CA ARG A 25 -1.229 9.061 -17.819 1.00 1.22 C ATOM 371 C ARG A 25 -2.392 9.953 -18.256 1.00 1.20 C ATOM 372 O ARG A 25 -2.200 10.712 -19.203 1.00 1.27 O ATOM 373 CB ARG A 25 -0.835 8.009 -18.875 1.00 1.39 C ATOM 374 CG ARG A 25 -1.794 6.825 -19.045 1.00 1.65 C ATOM 375 CD ARG A 25 -3.031 7.097 -19.915 1.00 2.09 C ATOM 376 NE ARG A 25 -4.073 6.121 -19.575 1.00 2.66 N ATOM 377 CZ ARG A 25 -5.239 5.908 -20.192 1.00 3.11 C ATOM 378 NH1 ARG A 25 -5.570 6.627 -21.268 1.00 3.26 N ATOM 379 NH2 ARG A 25 -6.055 4.962 -19.714 1.00 4.12 N ATOM 0 H ARG A 25 -1.736 7.498 -16.534 1.00 1.07 H new ATOM 0 HA ARG A 25 -0.382 9.741 -17.730 1.00 1.22 H new ATOM 0 HB2 ARG A 25 -0.737 8.511 -19.838 1.00 1.39 H new ATOM 0 HB3 ARG A 25 0.149 7.618 -18.618 1.00 1.39 H new ATOM 0 HG2 ARG A 25 -1.242 5.992 -19.479 1.00 1.65 H new ATOM 0 HG3 ARG A 25 -2.128 6.506 -18.058 1.00 1.65 H new ATOM 0 HD2 ARG A 25 -3.395 8.111 -19.747 1.00 2.09 H new ATOM 0 HD3 ARG A 25 -2.773 7.021 -20.971 1.00 2.09 H new ATOM 0 HE ARG A 25 -3.883 5.531 -18.765 1.00 2.66 H new ATOM 0 HH11 ARG A 25 -4.932 7.341 -21.621 1.00 3.26 H new ATOM 0 HH12 ARG A 25 -6.461 6.462 -21.737 1.00 3.26 H new ATOM 0 HH21 ARG A 25 -5.782 4.420 -18.894 1.00 4.12 H new ATOM 0 HH22 ARG A 25 -6.950 4.783 -20.169 1.00 4.12 H new ATOM 393 N GLN A 26 -3.585 9.842 -17.648 1.00 1.13 N ATOM 394 CA GLN A 26 -4.783 10.517 -18.144 1.00 1.11 C ATOM 395 C GLN A 26 -4.551 11.984 -18.533 1.00 1.16 C ATOM 396 O GLN A 26 -4.755 12.385 -19.678 1.00 1.24 O ATOM 397 CB GLN A 26 -5.872 10.443 -17.065 1.00 1.01 C ATOM 398 CG GLN A 26 -7.223 10.060 -17.621 1.00 1.06 C ATOM 399 CD GLN A 26 -7.328 8.562 -17.910 1.00 1.15 C ATOM 400 OE1 GLN A 26 -6.643 8.038 -18.784 1.00 1.65 O ATOM 401 NE2 GLN A 26 -8.176 7.845 -17.183 1.00 1.69 N ATOM 0 H GLN A 26 -3.740 9.286 -16.807 1.00 1.13 H new ATOM 0 HA GLN A 26 -5.085 10.002 -19.056 1.00 1.11 H new ATOM 0 HB2 GLN A 26 -5.577 9.717 -16.307 1.00 1.01 H new ATOM 0 HB3 GLN A 26 -5.950 11.410 -16.567 1.00 1.01 H new ATOM 0 HG2 GLN A 26 -8.000 10.346 -16.912 1.00 1.06 H new ATOM 0 HG3 GLN A 26 -7.407 10.619 -18.539 1.00 1.06 H new ATOM 0 HE21 GLN A 26 -8.737 8.297 -16.461 1.00 1.69 H new ATOM 0 HE22 GLN A 26 -8.266 6.842 -17.346 1.00 1.69 H new ATOM 410 N GLU A 27 -4.142 12.773 -17.544 1.00 1.15 N ATOM 411 CA GLU A 27 -3.887 14.195 -17.603 1.00 1.24 C ATOM 412 C GLU A 27 -2.387 14.361 -17.443 1.00 1.19 C ATOM 413 O GLU A 27 -1.877 14.391 -16.309 1.00 1.95 O ATOM 414 CB GLU A 27 -4.602 14.907 -16.458 1.00 1.37 C ATOM 415 CG GLU A 27 -6.124 14.779 -16.504 1.00 1.43 C ATOM 416 CD GLU A 27 -6.671 15.377 -15.221 1.00 1.89 C ATOM 417 OE1 GLU A 27 -6.325 16.537 -14.907 1.00 2.93 O ATOM 418 OE2 GLU A 27 -7.347 14.620 -14.503 1.00 2.61 O ATOM 0 H GLU A 27 -3.969 12.398 -16.611 1.00 1.15 H new ATOM 0 HA GLU A 27 -4.246 14.621 -18.540 1.00 1.24 H new ATOM 0 HB2 GLU A 27 -4.242 14.504 -15.511 1.00 1.37 H new ATOM 0 HB3 GLU A 27 -4.335 15.964 -16.477 1.00 1.37 H new ATOM 0 HG2 GLU A 27 -6.527 15.301 -17.372 1.00 1.43 H new ATOM 0 HG3 GLU A 27 -6.418 13.733 -16.596 1.00 1.43 H new ATOM 425 N GLY A 28 -1.693 14.393 -18.584 1.00 1.09 N ATOM 426 CA GLY A 28 -0.253 14.544 -18.696 1.00 1.42 C ATOM 427 C GLY A 28 0.511 13.640 -17.731 1.00 1.22 C ATOM 428 O GLY A 28 -0.081 12.759 -17.094 1.00 1.59 O ATOM 0 H GLY A 28 -2.148 14.310 -19.493 1.00 1.09 H new ATOM 0 HA2 GLY A 28 0.053 14.319 -19.718 1.00 1.42 H new ATOM 0 HA3 GLY A 28 0.015 15.583 -18.504 1.00 1.42 H new ATOM 432 N ARG A 29 1.818 13.899 -17.604 1.00 1.18 N ATOM 433 CA ARG A 29 2.707 13.387 -16.565 1.00 1.28 C ATOM 434 C ARG A 29 2.245 12.032 -16.011 1.00 1.23 C ATOM 435 O ARG A 29 1.393 11.961 -15.113 1.00 1.15 O ATOM 436 CB ARG A 29 2.981 14.465 -15.502 1.00 1.46 C ATOM 437 CG ARG A 29 4.272 15.235 -15.843 1.00 1.86 C ATOM 438 CD ARG A 29 4.903 15.926 -14.627 1.00 2.52 C ATOM 439 NE ARG A 29 4.027 16.927 -14.004 1.00 3.71 N ATOM 440 CZ ARG A 29 3.783 18.170 -14.439 1.00 4.34 C ATOM 441 NH1 ARG A 29 4.299 18.596 -15.596 1.00 3.85 N ATOM 442 NH2 ARG A 29 3.023 18.970 -13.691 1.00 6.16 N ATOM 0 H ARG A 29 2.307 14.506 -18.262 1.00 1.18 H new ATOM 0 HA ARG A 29 3.674 13.164 -17.015 1.00 1.28 H new ATOM 0 HB2 ARG A 29 2.140 15.156 -15.450 1.00 1.46 H new ATOM 0 HB3 ARG A 29 3.074 14.002 -14.520 1.00 1.46 H new ATOM 0 HG2 ARG A 29 4.996 14.544 -16.276 1.00 1.86 H new ATOM 0 HG3 ARG A 29 4.051 15.984 -16.604 1.00 1.86 H new ATOM 0 HD2 ARG A 29 5.165 15.171 -13.885 1.00 2.52 H new ATOM 0 HD3 ARG A 29 5.832 16.407 -14.934 1.00 2.52 H new ATOM 0 HE ARG A 29 3.553 16.645 -13.146 1.00 3.71 H new ATOM 0 HH11 ARG A 29 4.883 17.973 -16.154 1.00 3.85 H new ATOM 0 HH12 ARG A 29 4.109 19.544 -15.921 1.00 3.85 H new ATOM 0 HH21 ARG A 29 2.641 18.631 -12.808 1.00 6.16 H new ATOM 0 HH22 ARG A 29 2.823 19.921 -14.002 1.00 6.16 H new ATOM 456 N LYS A 30 2.766 10.972 -16.631 1.00 1.35 N ATOM 457 CA LYS A 30 2.432 9.564 -16.456 1.00 1.28 C ATOM 458 C LYS A 30 3.132 9.048 -15.200 1.00 1.27 C ATOM 459 O LYS A 30 3.894 8.081 -15.237 1.00 1.50 O ATOM 460 CB LYS A 30 2.836 8.795 -17.728 1.00 1.50 C ATOM 461 CG LYS A 30 4.235 9.201 -18.218 1.00 1.79 C ATOM 462 CD LYS A 30 4.800 8.204 -19.234 1.00 2.13 C ATOM 463 CE LYS A 30 6.072 8.759 -19.895 1.00 2.86 C ATOM 464 NZ LYS A 30 7.092 9.173 -18.906 1.00 4.48 N ATOM 0 H LYS A 30 3.498 11.092 -17.331 1.00 1.35 H new ATOM 0 HA LYS A 30 1.361 9.419 -16.316 1.00 1.28 H new ATOM 0 HB2 LYS A 30 2.818 7.724 -17.527 1.00 1.50 H new ATOM 0 HB3 LYS A 30 2.106 8.984 -18.515 1.00 1.50 H new ATOM 0 HG2 LYS A 30 4.187 10.191 -18.670 1.00 1.79 H new ATOM 0 HG3 LYS A 30 4.911 9.272 -17.366 1.00 1.79 H new ATOM 0 HD2 LYS A 30 5.025 7.260 -18.737 1.00 2.13 H new ATOM 0 HD3 LYS A 30 4.051 7.992 -19.997 1.00 2.13 H new ATOM 0 HE2 LYS A 30 6.496 8.000 -20.553 1.00 2.86 H new ATOM 0 HE3 LYS A 30 5.810 9.613 -20.520 1.00 2.86 H new ATOM 0 HZ1 LYS A 30 7.991 9.362 -19.393 1.00 4.48 H new ATOM 0 HZ2 LYS A 30 6.774 10.035 -18.419 1.00 4.48 H new ATOM 0 HZ3 LYS A 30 7.229 8.413 -18.210 1.00 4.48 H new ATOM 478 N ASP A 31 2.902 9.764 -14.103 1.00 1.27 N ATOM 479 CA ASP A 31 3.778 9.803 -12.948 1.00 1.45 C ATOM 480 C ASP A 31 3.078 10.653 -11.886 1.00 1.46 C ATOM 481 O ASP A 31 2.731 10.131 -10.827 1.00 1.64 O ATOM 482 CB ASP A 31 5.178 10.316 -13.349 1.00 1.62 C ATOM 483 CG ASP A 31 5.144 11.494 -14.312 1.00 2.88 C ATOM 484 OD1 ASP A 31 4.825 12.591 -13.811 1.00 4.00 O ATOM 485 OD2 ASP A 31 5.372 11.278 -15.526 1.00 4.02 O ATOM 0 H ASP A 31 2.074 10.349 -13.995 1.00 1.27 H new ATOM 0 HA ASP A 31 3.956 8.812 -12.531 1.00 1.45 H new ATOM 0 HB2 ASP A 31 5.720 10.609 -12.449 1.00 1.62 H new ATOM 0 HB3 ASP A 31 5.737 9.500 -13.806 1.00 1.62 H new ATOM 490 N SER A 32 2.800 11.930 -12.177 1.00 1.45 N ATOM 491 CA SER A 32 1.964 12.757 -11.315 1.00 1.42 C ATOM 492 C SER A 32 0.467 12.567 -11.605 1.00 1.30 C ATOM 493 O SER A 32 0.010 12.554 -12.761 1.00 1.28 O ATOM 494 CB SER A 32 2.376 14.232 -11.357 1.00 1.56 C ATOM 495 OG SER A 32 1.945 14.900 -12.523 1.00 2.15 O ATOM 0 H SER A 32 3.146 12.409 -13.008 1.00 1.45 H new ATOM 0 HA SER A 32 2.131 12.413 -10.294 1.00 1.42 H new ATOM 0 HB2 SER A 32 1.968 14.741 -10.484 1.00 1.56 H new ATOM 0 HB3 SER A 32 3.462 14.301 -11.288 1.00 1.56 H new ATOM 0 HG SER A 32 1.956 15.868 -12.369 1.00 2.15 H new ATOM 501 N LEU A 33 -0.302 12.414 -10.526 1.00 1.27 N ATOM 502 CA LEU A 33 -1.748 12.286 -10.549 1.00 1.15 C ATOM 503 C LEU A 33 -2.362 13.667 -10.305 1.00 1.06 C ATOM 504 O LEU A 33 -2.054 14.313 -9.302 1.00 1.20 O ATOM 505 CB LEU A 33 -2.181 11.267 -9.484 1.00 1.32 C ATOM 506 CG LEU A 33 -2.116 9.801 -9.922 1.00 1.40 C ATOM 507 CD1 LEU A 33 -3.367 9.410 -10.704 1.00 1.64 C ATOM 508 CD2 LEU A 33 -0.828 9.458 -10.667 1.00 2.47 C ATOM 0 H LEU A 33 0.084 12.375 -9.583 1.00 1.27 H new ATOM 0 HA LEU A 33 -2.096 11.922 -11.516 1.00 1.15 H new ATOM 0 HB2 LEU A 33 -1.551 11.395 -8.604 1.00 1.32 H new ATOM 0 HB3 LEU A 33 -3.203 11.494 -9.180 1.00 1.32 H new ATOM 0 HG LEU A 33 -2.092 9.196 -9.015 1.00 1.40 H new ATOM 0 HD11 LEU A 33 -3.297 8.364 -11.004 1.00 1.64 H new ATOM 0 HD12 LEU A 33 -4.247 9.549 -10.076 1.00 1.64 H new ATOM 0 HD13 LEU A 33 -3.452 10.037 -11.592 1.00 1.64 H new ATOM 0 HD21 LEU A 33 -0.841 8.406 -10.951 1.00 2.47 H new ATOM 0 HD22 LEU A 33 -0.750 10.075 -11.562 1.00 2.47 H new ATOM 0 HD23 LEU A 33 0.028 9.648 -10.020 1.00 2.47 H new ATOM 520 N SER A 34 -3.221 14.106 -11.226 1.00 1.04 N ATOM 521 CA SER A 34 -4.020 15.320 -11.123 1.00 1.03 C ATOM 522 C SER A 34 -5.273 15.025 -10.294 1.00 1.00 C ATOM 523 O SER A 34 -5.542 13.881 -9.922 1.00 1.07 O ATOM 524 CB SER A 34 -4.402 15.784 -12.539 1.00 1.16 C ATOM 525 OG SER A 34 -5.241 16.924 -12.522 1.00 2.33 O ATOM 0 H SER A 34 -3.383 13.602 -12.098 1.00 1.04 H new ATOM 0 HA SER A 34 -3.454 16.111 -10.632 1.00 1.03 H new ATOM 0 HB2 SER A 34 -3.496 16.010 -13.102 1.00 1.16 H new ATOM 0 HB3 SER A 34 -4.907 14.972 -13.061 1.00 1.16 H new ATOM 0 HG SER A 34 -5.915 16.845 -13.229 1.00 2.33 H new ATOM 531 N VAL A 35 -6.051 16.066 -9.997 1.00 1.02 N ATOM 532 CA VAL A 35 -7.225 15.948 -9.143 1.00 1.06 C ATOM 533 C VAL A 35 -8.335 15.172 -9.850 1.00 1.03 C ATOM 534 O VAL A 35 -8.962 14.308 -9.237 1.00 1.00 O ATOM 535 CB VAL A 35 -7.683 17.316 -8.610 1.00 1.26 C ATOM 536 CG1 VAL A 35 -6.561 17.965 -7.791 1.00 2.93 C ATOM 537 CG2 VAL A 35 -8.155 18.279 -9.707 1.00 2.13 C ATOM 0 H VAL A 35 -5.883 17.011 -10.342 1.00 1.02 H new ATOM 0 HA VAL A 35 -6.951 15.368 -8.262 1.00 1.06 H new ATOM 0 HB VAL A 35 -8.549 17.122 -7.977 1.00 1.26 H new ATOM 0 HG11 VAL A 35 -6.896 18.933 -7.418 1.00 2.93 H new ATOM 0 HG12 VAL A 35 -6.305 17.321 -6.950 1.00 2.93 H new ATOM 0 HG13 VAL A 35 -5.683 18.103 -8.422 1.00 2.93 H new ATOM 0 HG21 VAL A 35 -8.462 19.222 -9.256 1.00 2.13 H new ATOM 0 HG22 VAL A 35 -7.340 18.460 -10.407 1.00 2.13 H new ATOM 0 HG23 VAL A 35 -8.999 17.839 -10.239 1.00 2.13 H new ATOM 547 N ASN A 36 -8.575 15.445 -11.138 1.00 1.07 N ATOM 548 CA ASN A 36 -9.564 14.683 -11.890 1.00 1.07 C ATOM 549 C ASN A 36 -9.078 13.241 -12.066 1.00 1.02 C ATOM 550 O ASN A 36 -9.820 12.333 -11.718 1.00 0.98 O ATOM 551 CB ASN A 36 -9.993 15.385 -13.185 1.00 1.21 C ATOM 552 CG ASN A 36 -10.647 14.382 -14.133 1.00 1.20 C ATOM 553 OD1 ASN A 36 -11.859 14.198 -14.101 1.00 1.63 O ATOM 554 ND2 ASN A 36 -9.834 13.710 -14.938 1.00 1.82 N ATOM 0 H ASN A 36 -8.104 16.177 -11.670 1.00 1.07 H new ATOM 0 HA ASN A 36 -10.490 14.633 -11.317 1.00 1.07 H new ATOM 0 HB2 ASN A 36 -10.691 16.191 -12.957 1.00 1.21 H new ATOM 0 HB3 ASN A 36 -9.127 15.840 -13.665 1.00 1.21 H new ATOM 0 HD21 ASN A 36 -10.211 13.002 -15.569 1.00 1.82 H new ATOM 0 HD22 ASN A 36 -8.832 13.901 -14.926 1.00 1.82 H new ATOM 561 N GLU A 37 -7.833 13.024 -12.507 1.00 1.04 N ATOM 562 CA GLU A 37 -7.150 11.728 -12.499 1.00 1.08 C ATOM 563 C GLU A 37 -7.466 10.971 -11.213 1.00 1.02 C ATOM 564 O GLU A 37 -7.865 9.807 -11.239 1.00 1.06 O ATOM 565 CB GLU A 37 -5.627 11.938 -12.617 1.00 1.14 C ATOM 566 CG GLU A 37 -5.157 11.772 -14.061 1.00 1.05 C ATOM 567 CD GLU A 37 -3.681 12.099 -14.316 1.00 1.05 C ATOM 568 OE1 GLU A 37 -2.987 12.805 -13.555 1.00 2.22 O ATOM 569 OE2 GLU A 37 -3.107 11.695 -15.345 1.00 1.45 O ATOM 0 H GLU A 37 -7.256 13.772 -12.892 1.00 1.04 H new ATOM 0 HA GLU A 37 -7.501 11.142 -13.349 1.00 1.08 H new ATOM 0 HB2 GLU A 37 -5.366 12.934 -12.259 1.00 1.14 H new ATOM 0 HB3 GLU A 37 -5.108 11.223 -11.978 1.00 1.14 H new ATOM 0 HG2 GLU A 37 -5.342 10.743 -14.369 1.00 1.05 H new ATOM 0 HG3 GLU A 37 -5.768 12.410 -14.699 1.00 1.05 H new ATOM 576 N PHE A 38 -7.288 11.650 -10.080 1.00 0.98 N ATOM 577 CA PHE A 38 -7.645 11.092 -8.795 1.00 0.96 C ATOM 578 C PHE A 38 -9.122 10.708 -8.758 1.00 0.90 C ATOM 579 O PHE A 38 -9.468 9.552 -8.514 1.00 0.88 O ATOM 580 CB PHE A 38 -7.306 12.072 -7.667 1.00 1.00 C ATOM 581 CG PHE A 38 -6.859 11.317 -6.448 1.00 0.93 C ATOM 582 CD1 PHE A 38 -5.491 11.040 -6.322 1.00 2.12 C ATOM 583 CD2 PHE A 38 -7.797 10.558 -5.727 1.00 1.67 C ATOM 584 CE1 PHE A 38 -5.054 10.064 -5.420 1.00 2.67 C ATOM 585 CE2 PHE A 38 -7.365 9.492 -4.926 1.00 1.97 C ATOM 586 CZ PHE A 38 -5.991 9.230 -4.796 1.00 2.15 C ATOM 0 H PHE A 38 -6.896 12.591 -10.036 1.00 0.98 H new ATOM 0 HA PHE A 38 -7.060 10.185 -8.644 1.00 0.96 H new ATOM 0 HB2 PHE A 38 -6.520 12.754 -7.991 1.00 1.00 H new ATOM 0 HB3 PHE A 38 -8.178 12.681 -7.428 1.00 1.00 H new ATOM 0 HD1 PHE A 38 -4.774 11.580 -6.922 1.00 2.12 H new ATOM 0 HD2 PHE A 38 -8.849 10.796 -5.790 1.00 1.67 H new ATOM 0 HE1 PHE A 38 -4.001 9.954 -5.206 1.00 2.67 H new ATOM 0 HE2 PHE A 38 -8.086 8.874 -4.411 1.00 1.97 H new ATOM 0 HZ PHE A 38 -5.656 8.384 -4.214 1.00 2.15 H new ATOM 596 N LYS A 39 -10.000 11.691 -8.980 1.00 0.92 N ATOM 597 CA LYS A 39 -11.432 11.487 -8.893 1.00 0.94 C ATOM 598 C LYS A 39 -11.874 10.295 -9.747 1.00 0.93 C ATOM 599 O LYS A 39 -12.703 9.503 -9.300 1.00 0.94 O ATOM 600 CB LYS A 39 -12.222 12.765 -9.203 1.00 0.99 C ATOM 601 CG LYS A 39 -13.695 12.475 -8.880 1.00 1.04 C ATOM 602 CD LYS A 39 -14.610 13.697 -8.985 1.00 1.28 C ATOM 603 CE LYS A 39 -16.028 13.336 -8.508 1.00 1.96 C ATOM 604 NZ LYS A 39 -16.614 12.190 -9.242 1.00 3.49 N ATOM 0 H LYS A 39 -9.730 12.644 -9.224 1.00 0.92 H new ATOM 0 HA LYS A 39 -11.665 11.240 -7.857 1.00 0.94 H new ATOM 0 HB2 LYS A 39 -11.854 13.600 -8.606 1.00 0.99 H new ATOM 0 HB3 LYS A 39 -12.105 13.046 -10.250 1.00 0.99 H new ATOM 0 HG2 LYS A 39 -14.059 11.703 -9.557 1.00 1.04 H new ATOM 0 HG3 LYS A 39 -13.762 12.070 -7.870 1.00 1.04 H new ATOM 0 HD2 LYS A 39 -14.211 14.513 -8.382 1.00 1.28 H new ATOM 0 HD3 LYS A 39 -14.643 14.049 -10.016 1.00 1.28 H new ATOM 0 HE2 LYS A 39 -15.998 13.101 -7.444 1.00 1.96 H new ATOM 0 HE3 LYS A 39 -16.676 14.204 -8.625 1.00 1.96 H new ATOM 0 HZ1 LYS A 39 -17.648 12.202 -9.135 1.00 3.49 H new ATOM 0 HZ2 LYS A 39 -16.369 12.262 -10.250 1.00 3.49 H new ATOM 0 HZ3 LYS A 39 -16.236 11.301 -8.857 1.00 3.49 H new ATOM 618 N GLU A 40 -11.337 10.154 -10.958 1.00 0.94 N ATOM 619 CA GLU A 40 -11.643 9.046 -11.838 1.00 0.96 C ATOM 620 C GLU A 40 -11.461 7.704 -11.131 1.00 0.91 C ATOM 621 O GLU A 40 -12.314 6.836 -11.271 1.00 0.95 O ATOM 622 CB GLU A 40 -10.805 9.120 -13.120 1.00 1.00 C ATOM 623 CG GLU A 40 -11.298 10.231 -14.057 1.00 1.03 C ATOM 624 CD GLU A 40 -10.493 10.258 -15.348 1.00 1.75 C ATOM 625 OE1 GLU A 40 -9.905 9.202 -15.670 1.00 2.77 O ATOM 626 OE2 GLU A 40 -10.475 11.328 -15.994 1.00 3.17 O ATOM 0 H GLU A 40 -10.671 10.818 -11.353 1.00 0.94 H new ATOM 0 HA GLU A 40 -12.693 9.124 -12.119 1.00 0.96 H new ATOM 0 HB2 GLU A 40 -9.761 9.298 -12.862 1.00 1.00 H new ATOM 0 HB3 GLU A 40 -10.847 8.162 -13.638 1.00 1.00 H new ATOM 0 HG2 GLU A 40 -12.352 10.076 -14.286 1.00 1.03 H new ATOM 0 HG3 GLU A 40 -11.219 11.195 -13.555 1.00 1.03 H new ATOM 633 N LEU A 41 -10.399 7.519 -10.344 1.00 0.86 N ATOM 634 CA LEU A 41 -10.145 6.235 -9.700 1.00 0.85 C ATOM 635 C LEU A 41 -11.292 5.932 -8.737 1.00 0.86 C ATOM 636 O LEU A 41 -11.898 4.859 -8.778 1.00 0.89 O ATOM 637 CB LEU A 41 -8.757 6.275 -9.030 1.00 0.85 C ATOM 638 CG LEU A 41 -8.353 5.062 -8.171 1.00 1.13 C ATOM 639 CD1 LEU A 41 -8.881 5.153 -6.739 1.00 2.95 C ATOM 640 CD2 LEU A 41 -8.687 3.716 -8.811 1.00 1.61 C ATOM 0 H LEU A 41 -9.706 8.239 -10.140 1.00 0.86 H new ATOM 0 HA LEU A 41 -10.117 5.417 -10.420 1.00 0.85 H new ATOM 0 HB2 LEU A 41 -8.008 6.399 -9.812 1.00 0.85 H new ATOM 0 HB3 LEU A 41 -8.711 7.164 -8.401 1.00 0.85 H new ATOM 0 HG LEU A 41 -7.265 5.107 -8.118 1.00 1.13 H new ATOM 0 HD11 LEU A 41 -8.567 4.272 -6.179 1.00 2.95 H new ATOM 0 HD12 LEU A 41 -8.484 6.048 -6.261 1.00 2.95 H new ATOM 0 HD13 LEU A 41 -9.970 5.203 -6.755 1.00 2.95 H new ATOM 0 HD21 LEU A 41 -8.373 2.910 -8.148 1.00 1.61 H new ATOM 0 HD22 LEU A 41 -9.762 3.650 -8.979 1.00 1.61 H new ATOM 0 HD23 LEU A 41 -8.165 3.626 -9.763 1.00 1.61 H new ATOM 652 N VAL A 42 -11.611 6.910 -7.888 1.00 0.88 N ATOM 653 CA VAL A 42 -12.568 6.735 -6.804 1.00 0.95 C ATOM 654 C VAL A 42 -13.990 6.652 -7.360 1.00 1.08 C ATOM 655 O VAL A 42 -14.842 5.961 -6.813 1.00 1.34 O ATOM 656 CB VAL A 42 -12.401 7.838 -5.743 1.00 0.97 C ATOM 657 CG1 VAL A 42 -11.133 7.614 -4.908 1.00 0.93 C ATOM 658 CG2 VAL A 42 -12.371 9.256 -6.297 1.00 1.05 C ATOM 0 H VAL A 42 -11.210 7.847 -7.936 1.00 0.88 H new ATOM 0 HA VAL A 42 -12.369 5.790 -6.298 1.00 0.95 H new ATOM 0 HB VAL A 42 -13.295 7.754 -5.126 1.00 0.97 H new ATOM 0 HG11 VAL A 42 -11.041 8.408 -4.167 1.00 0.93 H new ATOM 0 HG12 VAL A 42 -11.196 6.651 -4.402 1.00 0.93 H new ATOM 0 HG13 VAL A 42 -10.261 7.624 -5.561 1.00 0.93 H new ATOM 0 HG21 VAL A 42 -12.250 9.964 -5.477 1.00 1.05 H new ATOM 0 HG22 VAL A 42 -11.536 9.358 -6.991 1.00 1.05 H new ATOM 0 HG23 VAL A 42 -13.305 9.462 -6.820 1.00 1.05 H new ATOM 668 N THR A 43 -14.241 7.358 -8.458 1.00 1.01 N ATOM 669 CA THR A 43 -15.518 7.369 -9.145 1.00 1.14 C ATOM 670 C THR A 43 -15.718 6.073 -9.940 1.00 1.15 C ATOM 671 O THR A 43 -16.836 5.572 -10.021 1.00 1.32 O ATOM 672 CB THR A 43 -15.545 8.615 -10.040 1.00 1.23 C ATOM 673 OG1 THR A 43 -15.393 9.765 -9.227 1.00 1.27 O ATOM 674 CG2 THR A 43 -16.840 8.754 -10.844 1.00 1.41 C ATOM 0 H THR A 43 -13.541 7.952 -8.902 1.00 1.01 H new ATOM 0 HA THR A 43 -16.345 7.415 -8.436 1.00 1.14 H new ATOM 0 HB THR A 43 -14.729 8.512 -10.755 1.00 1.23 H new ATOM 0 HG1 THR A 43 -14.456 9.849 -8.951 1.00 1.27 H new ATOM 0 HG21 THR A 43 -16.794 9.655 -11.455 1.00 1.41 H new ATOM 0 HG22 THR A 43 -16.963 7.884 -11.489 1.00 1.41 H new ATOM 0 HG23 THR A 43 -17.687 8.822 -10.161 1.00 1.41 H new ATOM 682 N GLN A 44 -14.656 5.556 -10.566 1.00 1.04 N ATOM 683 CA GLN A 44 -14.737 4.418 -11.468 1.00 1.08 C ATOM 684 C GLN A 44 -14.802 3.115 -10.671 1.00 1.07 C ATOM 685 O GLN A 44 -15.703 2.311 -10.888 1.00 1.16 O ATOM 686 CB GLN A 44 -13.534 4.443 -12.423 1.00 1.11 C ATOM 687 CG GLN A 44 -13.604 3.350 -13.496 1.00 1.30 C ATOM 688 CD GLN A 44 -12.292 3.273 -14.266 1.00 1.50 C ATOM 689 OE1 GLN A 44 -11.679 2.216 -14.362 1.00 2.18 O ATOM 690 NE2 GLN A 44 -11.819 4.400 -14.784 1.00 1.83 N ATOM 0 H GLN A 44 -13.711 5.924 -10.456 1.00 1.04 H new ATOM 0 HA GLN A 44 -15.648 4.479 -12.063 1.00 1.08 H new ATOM 0 HB2 GLN A 44 -13.481 5.418 -12.907 1.00 1.11 H new ATOM 0 HB3 GLN A 44 -12.616 4.322 -11.847 1.00 1.11 H new ATOM 0 HG2 GLN A 44 -13.816 2.388 -13.030 1.00 1.30 H new ATOM 0 HG3 GLN A 44 -14.424 3.559 -14.183 1.00 1.30 H new ATOM 0 HE21 GLN A 44 -12.349 5.266 -14.690 1.00 1.83 H new ATOM 0 HE22 GLN A 44 -10.925 4.400 -15.276 1.00 1.83 H new ATOM 699 N GLN A 45 -13.816 2.889 -9.796 1.00 1.07 N ATOM 700 CA GLN A 45 -13.766 1.693 -8.965 1.00 1.30 C ATOM 701 C GLN A 45 -14.458 2.002 -7.624 1.00 1.69 C ATOM 702 O GLN A 45 -15.600 2.451 -7.619 1.00 3.41 O ATOM 703 CB GLN A 45 -12.309 1.203 -8.880 1.00 1.69 C ATOM 704 CG GLN A 45 -12.180 -0.248 -8.383 1.00 2.99 C ATOM 705 CD GLN A 45 -12.636 -1.282 -9.413 1.00 3.21 C ATOM 706 OE1 GLN A 45 -13.774 -1.738 -9.377 1.00 4.33 O ATOM 707 NE2 GLN A 45 -11.743 -1.687 -10.310 1.00 3.13 N ATOM 0 H GLN A 45 -13.036 3.530 -9.648 1.00 1.07 H new ATOM 0 HA GLN A 45 -14.318 0.854 -9.389 1.00 1.30 H new ATOM 0 HB2 GLN A 45 -11.848 1.284 -9.864 1.00 1.69 H new ATOM 0 HB3 GLN A 45 -11.751 1.859 -8.212 1.00 1.69 H new ATOM 0 HG2 GLN A 45 -11.141 -0.443 -8.118 1.00 2.99 H new ATOM 0 HG3 GLN A 45 -12.769 -0.367 -7.473 1.00 2.99 H new ATOM 0 HE21 GLN A 45 -10.805 -1.287 -10.312 1.00 3.13 H new ATOM 0 HE22 GLN A 45 -11.996 -2.398 -10.996 1.00 3.13 H new ATOM 716 N LEU A 46 -13.775 1.752 -6.500 1.00 1.01 N ATOM 717 CA LEU A 46 -14.212 1.978 -5.120 1.00 1.06 C ATOM 718 C LEU A 46 -15.737 1.872 -4.906 1.00 1.07 C ATOM 719 O LEU A 46 -16.372 2.847 -4.508 1.00 1.47 O ATOM 720 CB LEU A 46 -13.659 3.332 -4.639 1.00 1.25 C ATOM 721 CG LEU A 46 -12.158 3.370 -4.297 1.00 1.37 C ATOM 722 CD1 LEU A 46 -11.869 2.589 -3.016 1.00 2.50 C ATOM 723 CD2 LEU A 46 -11.211 2.898 -5.409 1.00 1.79 C ATOM 0 H LEU A 46 -12.835 1.358 -6.536 1.00 1.01 H new ATOM 0 HA LEU A 46 -13.804 1.168 -4.515 1.00 1.06 H new ATOM 0 HB2 LEU A 46 -13.853 4.076 -5.412 1.00 1.25 H new ATOM 0 HB3 LEU A 46 -14.220 3.637 -3.755 1.00 1.25 H new ATOM 0 HG LEU A 46 -11.946 4.430 -4.161 1.00 1.37 H new ATOM 0 HD11 LEU A 46 -10.802 2.631 -2.797 1.00 2.50 H new ATOM 0 HD12 LEU A 46 -12.427 3.027 -2.189 1.00 2.50 H new ATOM 0 HD13 LEU A 46 -12.171 1.550 -3.147 1.00 2.50 H new ATOM 0 HD21 LEU A 46 -10.180 2.966 -5.062 1.00 1.79 H new ATOM 0 HD22 LEU A 46 -11.440 1.864 -5.667 1.00 1.79 H new ATOM 0 HD23 LEU A 46 -11.340 3.528 -6.289 1.00 1.79 H new ATOM 735 N PRO A 47 -16.342 0.694 -5.127 1.00 0.93 N ATOM 736 CA PRO A 47 -17.773 0.507 -4.966 1.00 1.17 C ATOM 737 C PRO A 47 -18.199 0.523 -3.496 1.00 1.27 C ATOM 738 O PRO A 47 -19.221 1.130 -3.179 1.00 1.74 O ATOM 739 CB PRO A 47 -18.095 -0.831 -5.637 1.00 1.30 C ATOM 740 CG PRO A 47 -16.788 -1.609 -5.519 1.00 1.20 C ATOM 741 CD PRO A 47 -15.725 -0.516 -5.638 1.00 0.97 C ATOM 0 HA PRO A 47 -18.327 1.326 -5.425 1.00 1.17 H new ATOM 0 HB2 PRO A 47 -18.915 -1.345 -5.136 1.00 1.30 H new ATOM 0 HB3 PRO A 47 -18.391 -0.698 -6.678 1.00 1.30 H new ATOM 0 HG2 PRO A 47 -16.718 -2.138 -4.569 1.00 1.20 H new ATOM 0 HG3 PRO A 47 -16.690 -2.355 -6.308 1.00 1.20 H new ATOM 0 HD2 PRO A 47 -14.834 -0.773 -5.064 1.00 0.97 H new ATOM 0 HD3 PRO A 47 -15.411 -0.387 -6.674 1.00 0.97 H new ATOM 749 N HIS A 48 -17.473 -0.166 -2.603 1.00 1.13 N ATOM 750 CA HIS A 48 -17.908 -0.319 -1.218 1.00 1.26 C ATOM 751 C HIS A 48 -16.693 -0.345 -0.289 1.00 1.34 C ATOM 752 O HIS A 48 -16.457 -1.315 0.432 1.00 2.45 O ATOM 753 CB HIS A 48 -18.807 -1.563 -1.106 1.00 1.42 C ATOM 754 CG HIS A 48 -19.502 -1.710 0.228 1.00 1.90 C ATOM 755 ND1 HIS A 48 -18.878 -1.894 1.438 1.00 3.04 N ATOM 756 CD2 HIS A 48 -20.852 -1.708 0.457 1.00 2.44 C ATOM 757 CE1 HIS A 48 -19.830 -1.996 2.379 1.00 3.37 C ATOM 758 NE2 HIS A 48 -21.053 -1.892 1.831 1.00 2.81 N ATOM 0 H HIS A 48 -16.587 -0.622 -2.820 1.00 1.13 H new ATOM 0 HA HIS A 48 -18.509 0.533 -0.900 1.00 1.26 H new ATOM 0 HB2 HIS A 48 -19.560 -1.524 -1.893 1.00 1.42 H new ATOM 0 HB3 HIS A 48 -18.202 -2.451 -1.287 1.00 1.42 H new ATOM 0 HD1 HIS A 48 -17.871 -1.944 1.594 1.00 3.04 H new ATOM 0 HD2 HIS A 48 -21.624 -1.586 -0.289 1.00 2.44 H new ATOM 0 HE1 HIS A 48 -19.639 -2.142 3.432 1.00 3.37 H new ATOM 766 N LEU A 49 -15.937 0.754 -0.292 1.00 1.18 N ATOM 767 CA LEU A 49 -14.707 0.885 0.466 1.00 1.07 C ATOM 768 C LEU A 49 -14.613 2.336 0.957 1.00 1.02 C ATOM 769 O LEU A 49 -15.480 2.776 1.713 1.00 1.36 O ATOM 770 CB LEU A 49 -13.581 0.432 -0.468 1.00 1.04 C ATOM 771 CG LEU A 49 -12.376 -0.124 0.288 1.00 0.95 C ATOM 772 CD1 LEU A 49 -12.639 -1.601 0.589 1.00 0.97 C ATOM 773 CD2 LEU A 49 -11.152 0.000 -0.596 1.00 1.05 C ATOM 0 H LEU A 49 -16.172 1.587 -0.832 1.00 1.18 H new ATOM 0 HA LEU A 49 -14.650 0.268 1.363 1.00 1.07 H new ATOM 0 HB2 LEU A 49 -13.962 -0.331 -1.147 1.00 1.04 H new ATOM 0 HB3 LEU A 49 -13.263 1.275 -1.082 1.00 1.04 H new ATOM 0 HG LEU A 49 -12.215 0.423 1.217 1.00 0.95 H new ATOM 0 HD11 LEU A 49 -11.790 -2.019 1.129 1.00 0.97 H new ATOM 0 HD12 LEU A 49 -13.538 -1.694 1.198 1.00 0.97 H new ATOM 0 HD13 LEU A 49 -12.777 -2.144 -0.346 1.00 0.97 H new ATOM 0 HD21 LEU A 49 -10.282 -0.393 -0.070 1.00 1.05 H new ATOM 0 HD22 LEU A 49 -11.307 -0.566 -1.514 1.00 1.05 H new ATOM 0 HD23 LEU A 49 -10.985 1.049 -0.841 1.00 1.05 H new ATOM 785 N LEU A 50 -13.638 3.118 0.475 1.00 1.17 N ATOM 786 CA LEU A 50 -13.698 4.569 0.578 1.00 1.10 C ATOM 787 C LEU A 50 -14.958 5.072 -0.131 1.00 1.22 C ATOM 788 O LEU A 50 -15.569 4.360 -0.928 1.00 2.22 O ATOM 789 CB LEU A 50 -12.449 5.213 -0.039 1.00 1.14 C ATOM 790 CG LEU A 50 -11.150 4.871 0.708 1.00 1.15 C ATOM 791 CD1 LEU A 50 -9.960 5.296 -0.154 1.00 1.30 C ATOM 792 CD2 LEU A 50 -11.066 5.627 2.039 1.00 1.21 C ATOM 0 H LEU A 50 -12.802 2.763 0.011 1.00 1.17 H new ATOM 0 HA LEU A 50 -13.734 4.848 1.631 1.00 1.10 H new ATOM 0 HB2 LEU A 50 -12.358 4.890 -1.076 1.00 1.14 H new ATOM 0 HB3 LEU A 50 -12.577 6.295 -0.052 1.00 1.14 H new ATOM 0 HG LEU A 50 -11.137 3.799 0.904 1.00 1.15 H new ATOM 0 HD11 LEU A 50 -9.031 5.059 0.365 1.00 1.30 H new ATOM 0 HD12 LEU A 50 -9.991 4.763 -1.105 1.00 1.30 H new ATOM 0 HD13 LEU A 50 -10.009 6.369 -0.338 1.00 1.30 H new ATOM 0 HD21 LEU A 50 -10.137 5.367 2.547 1.00 1.21 H new ATOM 0 HD22 LEU A 50 -11.088 6.700 1.850 1.00 1.21 H new ATOM 0 HD23 LEU A 50 -11.913 5.352 2.668 1.00 1.21 H new ATOM 804 N LYS A 51 -15.353 6.306 0.180 1.00 2.05 N ATOM 805 CA LYS A 51 -16.657 6.845 -0.152 1.00 2.04 C ATOM 806 C LYS A 51 -16.612 8.374 -0.049 1.00 2.09 C ATOM 807 O LYS A 51 -15.536 8.975 -0.129 1.00 3.00 O ATOM 808 CB LYS A 51 -17.745 6.166 0.716 1.00 2.11 C ATOM 809 CG LYS A 51 -17.798 6.535 2.211 1.00 2.70 C ATOM 810 CD LYS A 51 -16.521 6.204 3.003 1.00 3.86 C ATOM 811 CE LYS A 51 -16.606 6.628 4.474 1.00 5.36 C ATOM 812 NZ LYS A 51 -16.647 8.099 4.624 1.00 6.42 N ATOM 0 H LYS A 51 -14.758 6.967 0.680 1.00 2.05 H new ATOM 0 HA LYS A 51 -16.929 6.620 -1.183 1.00 2.04 H new ATOM 0 HB2 LYS A 51 -18.716 6.397 0.278 1.00 2.11 H new ATOM 0 HB3 LYS A 51 -17.610 5.087 0.641 1.00 2.11 H new ATOM 0 HG2 LYS A 51 -17.998 7.603 2.300 1.00 2.70 H new ATOM 0 HG3 LYS A 51 -18.638 6.014 2.670 1.00 2.70 H new ATOM 0 HD2 LYS A 51 -16.334 5.132 2.949 1.00 3.86 H new ATOM 0 HD3 LYS A 51 -15.670 6.700 2.535 1.00 3.86 H new ATOM 0 HE2 LYS A 51 -17.497 6.192 4.926 1.00 5.36 H new ATOM 0 HE3 LYS A 51 -15.747 6.232 5.016 1.00 5.36 H new ATOM 0 HZ1 LYS A 51 -16.433 8.354 5.609 1.00 6.42 H new ATOM 0 HZ2 LYS A 51 -15.943 8.532 3.993 1.00 6.42 H new ATOM 0 HZ3 LYS A 51 -17.595 8.447 4.375 1.00 6.42 H new ATOM 826 N ASP A 52 -17.783 9.005 0.104 1.00 1.89 N ATOM 827 CA ASP A 52 -17.953 10.455 0.120 1.00 2.00 C ATOM 828 C ASP A 52 -17.349 11.040 -1.165 1.00 1.95 C ATOM 829 O ASP A 52 -16.749 12.112 -1.170 1.00 2.28 O ATOM 830 CB ASP A 52 -17.453 11.116 1.427 1.00 2.35 C ATOM 831 CG ASP A 52 -17.119 10.163 2.571 1.00 2.74 C ATOM 832 OD1 ASP A 52 -18.050 9.789 3.318 1.00 3.70 O ATOM 833 OD2 ASP A 52 -15.944 9.730 2.695 1.00 3.77 O ATOM 0 H ASP A 52 -18.662 8.501 0.223 1.00 1.89 H new ATOM 0 HA ASP A 52 -19.017 10.691 0.124 1.00 2.00 H new ATOM 0 HB2 ASP A 52 -16.564 11.703 1.197 1.00 2.35 H new ATOM 0 HB3 ASP A 52 -18.215 11.814 1.773 1.00 2.35 H new ATOM 838 N VAL A 53 -17.521 10.299 -2.266 1.00 1.67 N ATOM 839 CA VAL A 53 -16.848 10.488 -3.539 1.00 1.44 C ATOM 840 C VAL A 53 -17.092 11.879 -4.130 1.00 1.46 C ATOM 841 O VAL A 53 -16.291 12.365 -4.924 1.00 1.56 O ATOM 842 CB VAL A 53 -17.267 9.324 -4.469 1.00 1.40 C ATOM 843 CG1 VAL A 53 -18.142 9.738 -5.655 1.00 3.12 C ATOM 844 CG2 VAL A 53 -16.032 8.558 -4.929 1.00 2.24 C ATOM 0 H VAL A 53 -18.170 9.512 -2.285 1.00 1.67 H new ATOM 0 HA VAL A 53 -15.767 10.456 -3.405 1.00 1.44 H new ATOM 0 HB VAL A 53 -17.906 8.672 -3.873 1.00 1.40 H new ATOM 0 HG11 VAL A 53 -18.387 8.859 -6.251 1.00 3.12 H new ATOM 0 HG12 VAL A 53 -19.061 10.194 -5.287 1.00 3.12 H new ATOM 0 HG13 VAL A 53 -17.602 10.456 -6.272 1.00 3.12 H new ATOM 0 HG21 VAL A 53 -16.334 7.740 -5.583 1.00 2.24 H new ATOM 0 HG22 VAL A 53 -15.368 9.231 -5.472 1.00 2.24 H new ATOM 0 HG23 VAL A 53 -15.510 8.155 -4.061 1.00 2.24 H new ATOM 854 N GLY A 54 -18.201 12.516 -3.745 1.00 1.61 N ATOM 855 CA GLY A 54 -18.458 13.904 -4.087 1.00 1.77 C ATOM 856 C GLY A 54 -17.384 14.807 -3.481 1.00 1.68 C ATOM 857 O GLY A 54 -16.735 15.568 -4.194 1.00 1.75 O ATOM 0 H GLY A 54 -18.938 12.081 -3.191 1.00 1.61 H new ATOM 0 HA2 GLY A 54 -18.473 14.022 -5.170 1.00 1.77 H new ATOM 0 HA3 GLY A 54 -19.441 14.200 -3.720 1.00 1.77 H new ATOM 861 N SER A 55 -17.170 14.701 -2.167 1.00 1.65 N ATOM 862 CA SER A 55 -16.265 15.571 -1.425 1.00 1.67 C ATOM 863 C SER A 55 -14.831 15.049 -1.529 1.00 1.55 C ATOM 864 O SER A 55 -14.122 14.974 -0.525 1.00 1.68 O ATOM 865 CB SER A 55 -16.734 15.654 0.036 1.00 1.80 C ATOM 866 OG SER A 55 -15.921 16.550 0.765 1.00 2.29 O ATOM 0 H SER A 55 -17.628 13.999 -1.585 1.00 1.65 H new ATOM 0 HA SER A 55 -16.278 16.575 -1.850 1.00 1.67 H new ATOM 0 HB2 SER A 55 -17.772 15.983 0.073 1.00 1.80 H new ATOM 0 HB3 SER A 55 -16.697 14.665 0.493 1.00 1.80 H new ATOM 0 HG SER A 55 -14.985 16.268 0.701 1.00 2.29 H new ATOM 872 N LEU A 56 -14.392 14.697 -2.740 1.00 1.44 N ATOM 873 CA LEU A 56 -13.089 14.118 -2.994 1.00 1.29 C ATOM 874 C LEU A 56 -11.991 15.010 -2.402 1.00 1.18 C ATOM 875 O LEU A 56 -10.999 14.505 -1.881 1.00 1.12 O ATOM 876 CB LEU A 56 -13.000 13.866 -4.509 1.00 1.37 C ATOM 877 CG LEU A 56 -11.754 13.133 -5.026 1.00 1.24 C ATOM 878 CD1 LEU A 56 -10.662 14.147 -5.355 1.00 1.22 C ATOM 879 CD2 LEU A 56 -11.268 12.045 -4.065 1.00 1.24 C ATOM 0 H LEU A 56 -14.952 14.813 -3.584 1.00 1.44 H new ATOM 0 HA LEU A 56 -12.941 13.159 -2.497 1.00 1.29 H new ATOM 0 HB2 LEU A 56 -13.878 13.293 -4.808 1.00 1.37 H new ATOM 0 HB3 LEU A 56 -13.060 14.829 -5.016 1.00 1.37 H new ATOM 0 HG LEU A 56 -12.025 12.606 -5.941 1.00 1.24 H new ATOM 0 HD11 LEU A 56 -9.779 13.624 -5.722 1.00 1.22 H new ATOM 0 HD12 LEU A 56 -11.022 14.833 -6.121 1.00 1.22 H new ATOM 0 HD13 LEU A 56 -10.405 14.709 -4.457 1.00 1.22 H new ATOM 0 HD21 LEU A 56 -10.385 11.560 -4.481 1.00 1.24 H new ATOM 0 HD22 LEU A 56 -11.016 12.494 -3.104 1.00 1.24 H new ATOM 0 HD23 LEU A 56 -12.056 11.305 -3.924 1.00 1.24 H new ATOM 891 N ASP A 57 -12.216 16.327 -2.389 1.00 1.33 N ATOM 892 CA ASP A 57 -11.377 17.359 -1.801 1.00 1.53 C ATOM 893 C ASP A 57 -10.735 16.932 -0.480 1.00 1.40 C ATOM 894 O ASP A 57 -9.543 17.156 -0.278 1.00 1.49 O ATOM 895 CB ASP A 57 -12.241 18.605 -1.546 1.00 1.96 C ATOM 896 CG ASP A 57 -12.940 19.106 -2.801 1.00 2.51 C ATOM 897 OD1 ASP A 57 -13.695 18.291 -3.378 1.00 3.09 O ATOM 898 OD2 ASP A 57 -12.702 20.283 -3.144 1.00 3.71 O ATOM 0 H ASP A 57 -13.051 16.722 -2.822 1.00 1.33 H new ATOM 0 HA ASP A 57 -10.568 17.560 -2.504 1.00 1.53 H new ATOM 0 HB2 ASP A 57 -12.989 18.374 -0.787 1.00 1.96 H new ATOM 0 HB3 ASP A 57 -11.614 19.400 -1.143 1.00 1.96 H new ATOM 903 N GLU A 58 -11.512 16.361 0.445 1.00 1.33 N ATOM 904 CA GLU A 58 -10.987 16.010 1.761 1.00 1.41 C ATOM 905 C GLU A 58 -9.902 14.931 1.623 1.00 1.25 C ATOM 906 O GLU A 58 -8.812 15.052 2.186 1.00 1.34 O ATOM 907 CB GLU A 58 -12.139 15.621 2.705 1.00 1.56 C ATOM 908 CG GLU A 58 -12.716 14.242 2.377 1.00 2.13 C ATOM 909 CD GLU A 58 -14.085 13.976 2.980 1.00 2.67 C ATOM 910 OE1 GLU A 58 -14.401 14.611 4.006 1.00 2.74 O ATOM 911 OE2 GLU A 58 -14.771 13.105 2.397 1.00 4.02 O ATOM 0 H GLU A 58 -12.497 16.135 0.306 1.00 1.33 H new ATOM 0 HA GLU A 58 -10.502 16.873 2.218 1.00 1.41 H new ATOM 0 HB2 GLU A 58 -11.781 15.627 3.734 1.00 1.56 H new ATOM 0 HB3 GLU A 58 -12.929 16.369 2.638 1.00 1.56 H new ATOM 0 HG2 GLU A 58 -12.783 14.137 1.294 1.00 2.13 H new ATOM 0 HG3 GLU A 58 -12.023 13.478 2.729 1.00 2.13 H new ATOM 918 N LYS A 59 -10.190 13.897 0.823 1.00 1.04 N ATOM 919 CA LYS A 59 -9.241 12.845 0.509 1.00 0.93 C ATOM 920 C LYS A 59 -8.044 13.483 -0.203 1.00 0.90 C ATOM 921 O LYS A 59 -6.921 13.309 0.255 1.00 0.91 O ATOM 922 CB LYS A 59 -9.914 11.704 -0.292 1.00 0.94 C ATOM 923 CG LYS A 59 -10.373 10.506 0.574 1.00 1.23 C ATOM 924 CD LYS A 59 -11.862 10.121 0.448 1.00 1.77 C ATOM 925 CE LYS A 59 -12.740 11.193 1.105 1.00 2.53 C ATOM 926 NZ LYS A 59 -14.183 10.874 1.187 1.00 3.47 N ATOM 0 H LYS A 59 -11.099 13.775 0.376 1.00 1.04 H new ATOM 0 HA LYS A 59 -8.876 12.365 1.417 1.00 0.93 H new ATOM 0 HB2 LYS A 59 -10.777 12.107 -0.821 1.00 0.94 H new ATOM 0 HB3 LYS A 59 -9.216 11.345 -1.048 1.00 0.94 H new ATOM 0 HG2 LYS A 59 -9.769 9.638 0.310 1.00 1.23 H new ATOM 0 HG3 LYS A 59 -10.163 10.735 1.619 1.00 1.23 H new ATOM 0 HD2 LYS A 59 -12.130 10.014 -0.603 1.00 1.77 H new ATOM 0 HD3 LYS A 59 -12.037 9.155 0.922 1.00 1.77 H new ATOM 0 HE2 LYS A 59 -12.368 11.374 2.113 1.00 2.53 H new ATOM 0 HE3 LYS A 59 -12.623 12.124 0.550 1.00 2.53 H new ATOM 0 HZ1 LYS A 59 -14.731 11.756 1.235 1.00 3.47 H new ATOM 0 HZ2 LYS A 59 -14.468 10.335 0.345 1.00 3.47 H new ATOM 0 HZ3 LYS A 59 -14.365 10.307 2.039 1.00 3.47 H new ATOM 940 N MET A 60 -8.271 14.257 -1.270 1.00 0.94 N ATOM 941 CA MET A 60 -7.213 14.954 -1.998 1.00 1.01 C ATOM 942 C MET A 60 -6.262 15.665 -1.037 1.00 1.04 C ATOM 943 O MET A 60 -5.065 15.405 -1.067 1.00 1.01 O ATOM 944 CB MET A 60 -7.809 15.912 -3.042 1.00 1.20 C ATOM 945 CG MET A 60 -6.741 16.680 -3.837 1.00 1.30 C ATOM 946 SD MET A 60 -6.031 18.143 -3.028 1.00 1.83 S ATOM 947 CE MET A 60 -4.728 18.575 -4.199 1.00 1.65 C ATOM 0 H MET A 60 -9.203 14.416 -1.653 1.00 0.94 H new ATOM 0 HA MET A 60 -6.622 14.215 -2.539 1.00 1.01 H new ATOM 0 HB2 MET A 60 -8.430 15.344 -3.735 1.00 1.20 H new ATOM 0 HB3 MET A 60 -8.462 16.626 -2.540 1.00 1.20 H new ATOM 0 HG2 MET A 60 -5.929 15.992 -4.072 1.00 1.30 H new ATOM 0 HG3 MET A 60 -7.179 16.992 -4.785 1.00 1.30 H new ATOM 0 HE1 MET A 60 -4.197 19.458 -3.843 1.00 1.65 H new ATOM 0 HE2 MET A 60 -4.029 17.743 -4.289 1.00 1.65 H new ATOM 0 HE3 MET A 60 -5.169 18.785 -5.173 1.00 1.65 H new ATOM 957 N LYS A 61 -6.777 16.549 -0.184 1.00 1.14 N ATOM 958 CA LYS A 61 -5.938 17.336 0.709 1.00 1.21 C ATOM 959 C LYS A 61 -5.242 16.449 1.745 1.00 1.20 C ATOM 960 O LYS A 61 -4.083 16.687 2.076 1.00 1.27 O ATOM 961 CB LYS A 61 -6.767 18.457 1.347 1.00 1.30 C ATOM 962 CG LYS A 61 -7.121 19.497 0.272 1.00 1.39 C ATOM 963 CD LYS A 61 -7.983 20.650 0.802 1.00 1.69 C ATOM 964 CE LYS A 61 -9.407 20.170 1.113 1.00 2.28 C ATOM 965 NZ LYS A 61 -10.352 21.287 1.309 1.00 3.35 N ATOM 0 H LYS A 61 -7.776 16.736 -0.095 1.00 1.14 H new ATOM 0 HA LYS A 61 -5.141 17.804 0.132 1.00 1.21 H new ATOM 0 HB2 LYS A 61 -7.676 18.048 1.788 1.00 1.30 H new ATOM 0 HB3 LYS A 61 -6.205 18.927 2.154 1.00 1.30 H new ATOM 0 HG2 LYS A 61 -6.201 19.904 -0.147 1.00 1.39 H new ATOM 0 HG3 LYS A 61 -7.650 19.002 -0.542 1.00 1.39 H new ATOM 0 HD2 LYS A 61 -7.530 21.064 1.703 1.00 1.69 H new ATOM 0 HD3 LYS A 61 -8.018 21.452 0.065 1.00 1.69 H new ATOM 0 HE2 LYS A 61 -9.760 19.539 0.297 1.00 2.28 H new ATOM 0 HE3 LYS A 61 -9.390 19.551 2.010 1.00 2.28 H new ATOM 0 HZ1 LYS A 61 -11.298 20.909 1.516 1.00 3.35 H new ATOM 0 HZ2 LYS A 61 -10.033 21.876 2.104 1.00 3.35 H new ATOM 0 HZ3 LYS A 61 -10.391 21.864 0.445 1.00 3.35 H new ATOM 979 N SER A 62 -5.925 15.416 2.250 1.00 1.16 N ATOM 980 CA SER A 62 -5.298 14.443 3.137 1.00 1.18 C ATOM 981 C SER A 62 -4.102 13.770 2.443 1.00 1.11 C ATOM 982 O SER A 62 -3.035 13.609 3.034 1.00 1.19 O ATOM 983 CB SER A 62 -6.347 13.417 3.592 1.00 1.19 C ATOM 984 OG SER A 62 -5.826 12.567 4.596 1.00 1.97 O ATOM 0 H SER A 62 -6.910 15.236 2.057 1.00 1.16 H new ATOM 0 HA SER A 62 -4.910 14.950 4.020 1.00 1.18 H new ATOM 0 HB2 SER A 62 -7.227 13.936 3.971 1.00 1.19 H new ATOM 0 HB3 SER A 62 -6.671 12.821 2.739 1.00 1.19 H new ATOM 0 HG SER A 62 -6.513 11.924 4.870 1.00 1.97 H new ATOM 990 N LEU A 63 -4.286 13.365 1.185 1.00 1.03 N ATOM 991 CA LEU A 63 -3.284 12.648 0.413 1.00 1.02 C ATOM 992 C LEU A 63 -2.118 13.576 0.058 1.00 1.02 C ATOM 993 O LEU A 63 -0.956 13.310 0.385 1.00 1.07 O ATOM 994 CB LEU A 63 -3.929 12.097 -0.866 1.00 1.06 C ATOM 995 CG LEU A 63 -5.022 11.045 -0.620 1.00 1.26 C ATOM 996 CD1 LEU A 63 -5.946 10.999 -1.838 1.00 1.38 C ATOM 997 CD2 LEU A 63 -4.414 9.665 -0.404 1.00 1.58 C ATOM 0 H LEU A 63 -5.151 13.531 0.671 1.00 1.03 H new ATOM 0 HA LEU A 63 -2.895 11.822 1.009 1.00 1.02 H new ATOM 0 HB2 LEU A 63 -4.359 12.926 -1.428 1.00 1.06 H new ATOM 0 HB3 LEU A 63 -3.152 11.657 -1.491 1.00 1.06 H new ATOM 0 HG LEU A 63 -5.578 11.321 0.276 1.00 1.26 H new ATOM 0 HD11 LEU A 63 -6.726 10.255 -1.675 1.00 1.38 H new ATOM 0 HD12 LEU A 63 -6.403 11.978 -1.985 1.00 1.38 H new ATOM 0 HD13 LEU A 63 -5.369 10.731 -2.723 1.00 1.38 H new ATOM 0 HD21 LEU A 63 -5.209 8.940 -0.232 1.00 1.58 H new ATOM 0 HD22 LEU A 63 -3.844 9.376 -1.287 1.00 1.58 H new ATOM 0 HD23 LEU A 63 -3.753 9.690 0.462 1.00 1.58 H new ATOM 1009 N ASP A 64 -2.428 14.662 -0.648 1.00 1.01 N ATOM 1010 CA ASP A 64 -1.468 15.660 -1.062 1.00 1.12 C ATOM 1011 C ASP A 64 -1.156 16.569 0.118 1.00 1.36 C ATOM 1012 O ASP A 64 -1.593 17.716 0.170 1.00 1.45 O ATOM 1013 CB ASP A 64 -2.003 16.460 -2.254 1.00 1.05 C ATOM 1014 CG ASP A 64 -0.991 17.491 -2.720 1.00 1.40 C ATOM 1015 OD1 ASP A 64 0.218 17.295 -2.451 1.00 1.64 O ATOM 1016 OD2 ASP A 64 -1.407 18.464 -3.375 1.00 1.88 O ATOM 0 H ASP A 64 -3.380 14.869 -0.951 1.00 1.01 H new ATOM 0 HA ASP A 64 -0.548 15.172 -1.385 1.00 1.12 H new ATOM 0 HB2 ASP A 64 -2.240 15.782 -3.074 1.00 1.05 H new ATOM 0 HB3 ASP A 64 -2.931 16.958 -1.974 1.00 1.05 H new ATOM 1021 N VAL A 65 -0.357 16.059 1.054 1.00 1.54 N ATOM 1022 CA VAL A 65 0.103 16.812 2.214 1.00 1.75 C ATOM 1023 C VAL A 65 0.721 18.163 1.821 1.00 1.67 C ATOM 1024 O VAL A 65 0.697 19.105 2.609 1.00 1.74 O ATOM 1025 CB VAL A 65 1.083 15.969 3.050 1.00 2.00 C ATOM 1026 CG1 VAL A 65 0.394 14.709 3.591 1.00 2.31 C ATOM 1027 CG2 VAL A 65 2.349 15.594 2.265 1.00 1.95 C ATOM 0 H VAL A 65 -0.009 15.101 1.026 1.00 1.54 H new ATOM 0 HA VAL A 65 -0.770 17.035 2.828 1.00 1.75 H new ATOM 0 HB VAL A 65 1.396 16.589 3.890 1.00 2.00 H new ATOM 0 HG11 VAL A 65 1.106 14.129 4.178 1.00 2.31 H new ATOM 0 HG12 VAL A 65 -0.448 14.997 4.221 1.00 2.31 H new ATOM 0 HG13 VAL A 65 0.034 14.105 2.758 1.00 2.31 H new ATOM 0 HG21 VAL A 65 3.007 15.000 2.899 1.00 1.95 H new ATOM 0 HG22 VAL A 65 2.073 15.014 1.384 1.00 1.95 H new ATOM 0 HG23 VAL A 65 2.866 16.502 1.954 1.00 1.95 H new ATOM 1037 N ASN A 66 1.290 18.263 0.613 1.00 1.56 N ATOM 1038 CA ASN A 66 1.868 19.509 0.122 1.00 1.55 C ATOM 1039 C ASN A 66 0.776 20.537 -0.176 1.00 1.82 C ATOM 1040 O ASN A 66 1.019 21.734 -0.069 1.00 2.15 O ATOM 1041 CB ASN A 66 2.655 19.287 -1.176 1.00 1.62 C ATOM 1042 CG ASN A 66 3.577 18.077 -1.156 1.00 1.83 C ATOM 1043 OD1 ASN A 66 3.323 17.099 -1.861 1.00 1.74 O ATOM 1044 ND2 ASN A 66 4.638 18.113 -0.356 1.00 3.11 N ATOM 0 H ASN A 66 1.360 17.485 -0.043 1.00 1.56 H new ATOM 0 HA ASN A 66 2.533 19.872 0.906 1.00 1.55 H new ATOM 0 HB2 ASN A 66 1.949 19.177 -1.999 1.00 1.62 H new ATOM 0 HB3 ASN A 66 3.249 20.177 -1.383 1.00 1.62 H new ATOM 0 HD21 ASN A 66 5.271 17.315 -0.313 1.00 3.11 H new ATOM 0 HD22 ASN A 66 4.819 18.939 0.215 1.00 3.11 H new ATOM 1051 N GLN A 67 -0.390 20.064 -0.629 1.00 1.69 N ATOM 1052 CA GLN A 67 -1.391 20.856 -1.326 1.00 1.68 C ATOM 1053 C GLN A 67 -0.734 21.573 -2.512 1.00 1.66 C ATOM 1054 O GLN A 67 -0.826 22.790 -2.655 1.00 1.78 O ATOM 1055 CB GLN A 67 -2.164 21.751 -0.347 1.00 1.83 C ATOM 1056 CG GLN A 67 -2.892 20.863 0.676 1.00 2.63 C ATOM 1057 CD GLN A 67 -3.797 21.670 1.595 1.00 2.96 C ATOM 1058 OE1 GLN A 67 -5.003 21.749 1.383 1.00 3.01 O ATOM 1059 NE2 GLN A 67 -3.234 22.270 2.638 1.00 4.04 N ATOM 0 H GLN A 67 -0.665 19.089 -0.514 1.00 1.69 H new ATOM 0 HA GLN A 67 -2.163 20.219 -1.759 1.00 1.68 H new ATOM 0 HB2 GLN A 67 -1.480 22.430 0.163 1.00 1.83 H new ATOM 0 HB3 GLN A 67 -2.881 22.368 -0.888 1.00 1.83 H new ATOM 0 HG2 GLN A 67 -3.485 20.116 0.149 1.00 2.63 H new ATOM 0 HG3 GLN A 67 -2.158 20.323 1.274 1.00 2.63 H new ATOM 0 HE21 GLN A 67 -2.229 22.189 2.792 1.00 4.04 H new ATOM 0 HE22 GLN A 67 -3.807 22.812 3.285 1.00 4.04 H new ATOM 1068 N ASP A 68 -0.064 20.775 -3.353 1.00 1.62 N ATOM 1069 CA ASP A 68 0.585 21.177 -4.599 1.00 1.63 C ATOM 1070 C ASP A 68 -0.257 20.787 -5.825 1.00 1.51 C ATOM 1071 O ASP A 68 0.030 21.249 -6.928 1.00 1.86 O ATOM 1072 CB ASP A 68 2.017 20.604 -4.683 1.00 1.81 C ATOM 1073 CG ASP A 68 2.093 19.086 -4.689 1.00 1.71 C ATOM 1074 OD1 ASP A 68 1.100 18.393 -4.967 1.00 1.53 O ATOM 1075 OD2 ASP A 68 3.099 18.480 -4.269 1.00 1.84 O ATOM 0 H ASP A 68 0.043 19.778 -3.169 1.00 1.62 H new ATOM 0 HA ASP A 68 0.663 22.264 -4.600 1.00 1.63 H new ATOM 0 HB2 ASP A 68 2.493 20.982 -5.588 1.00 1.81 H new ATOM 0 HB3 ASP A 68 2.595 20.980 -3.839 1.00 1.81 H new ATOM 1080 N SER A 69 -1.275 19.935 -5.655 1.00 1.38 N ATOM 1081 CA SER A 69 -2.125 19.421 -6.723 1.00 1.26 C ATOM 1082 C SER A 69 -1.369 18.519 -7.702 1.00 1.27 C ATOM 1083 O SER A 69 -1.888 18.220 -8.776 1.00 1.33 O ATOM 1084 CB SER A 69 -2.895 20.546 -7.424 1.00 1.38 C ATOM 1085 OG SER A 69 -3.638 21.282 -6.468 1.00 1.96 O ATOM 0 H SER A 69 -1.534 19.575 -4.736 1.00 1.38 H new ATOM 0 HA SER A 69 -2.868 18.778 -6.251 1.00 1.26 H new ATOM 0 HB2 SER A 69 -2.201 21.205 -7.946 1.00 1.38 H new ATOM 0 HB3 SER A 69 -3.564 20.128 -8.176 1.00 1.38 H new ATOM 0 HG SER A 69 -4.128 22.002 -6.918 1.00 1.96 H new ATOM 1091 N GLU A 70 -0.195 18.021 -7.305 1.00 1.33 N ATOM 1092 CA GLU A 70 0.420 16.841 -7.875 1.00 1.35 C ATOM 1093 C GLU A 70 0.384 15.766 -6.801 1.00 1.23 C ATOM 1094 O GLU A 70 1.117 15.843 -5.811 1.00 1.30 O ATOM 1095 CB GLU A 70 1.878 17.098 -8.271 1.00 1.59 C ATOM 1096 CG GLU A 70 2.017 17.921 -9.559 1.00 1.88 C ATOM 1097 CD GLU A 70 3.043 17.317 -10.503 1.00 2.14 C ATOM 1098 OE1 GLU A 70 4.082 16.827 -10.006 1.00 3.12 O ATOM 1099 OE2 GLU A 70 2.750 17.284 -11.720 1.00 2.57 O ATOM 0 H GLU A 70 0.359 18.444 -6.561 1.00 1.33 H new ATOM 0 HA GLU A 70 -0.118 16.546 -8.776 1.00 1.35 H new ATOM 0 HB2 GLU A 70 2.382 17.620 -7.458 1.00 1.59 H new ATOM 0 HB3 GLU A 70 2.387 16.143 -8.401 1.00 1.59 H new ATOM 0 HG2 GLU A 70 1.051 17.979 -10.060 1.00 1.88 H new ATOM 0 HG3 GLU A 70 2.308 18.941 -9.309 1.00 1.88 H new ATOM 1106 N LEU A 71 -0.404 14.720 -7.011 1.00 1.11 N ATOM 1107 CA LEU A 71 -0.284 13.525 -6.204 1.00 1.00 C ATOM 1108 C LEU A 71 0.858 12.747 -6.852 1.00 1.01 C ATOM 1109 O LEU A 71 0.665 12.045 -7.844 1.00 1.01 O ATOM 1110 CB LEU A 71 -1.603 12.746 -6.219 1.00 0.95 C ATOM 1111 CG LEU A 71 -2.737 13.303 -5.361 1.00 1.02 C ATOM 1112 CD1 LEU A 71 -2.492 13.053 -3.872 1.00 1.00 C ATOM 1113 CD2 LEU A 71 -3.063 14.774 -5.644 1.00 1.17 C ATOM 0 H LEU A 71 -1.127 14.679 -7.730 1.00 1.11 H new ATOM 0 HA LEU A 71 -0.077 13.729 -5.153 1.00 1.00 H new ATOM 0 HB2 LEU A 71 -1.953 12.688 -7.250 1.00 0.95 H new ATOM 0 HB3 LEU A 71 -1.400 11.726 -5.894 1.00 0.95 H new ATOM 0 HG LEU A 71 -3.627 12.746 -5.654 1.00 1.02 H new ATOM 0 HD11 LEU A 71 -3.320 13.463 -3.293 1.00 1.00 H new ATOM 0 HD12 LEU A 71 -2.418 11.981 -3.690 1.00 1.00 H new ATOM 0 HD13 LEU A 71 -1.563 13.537 -3.570 1.00 1.00 H new ATOM 0 HD21 LEU A 71 -3.878 15.097 -4.996 1.00 1.17 H new ATOM 0 HD22 LEU A 71 -2.182 15.386 -5.451 1.00 1.17 H new ATOM 0 HD23 LEU A 71 -3.362 14.887 -6.686 1.00 1.17 H new ATOM 1125 N LYS A 72 2.079 12.938 -6.351 1.00 1.08 N ATOM 1126 CA LYS A 72 3.230 12.196 -6.834 1.00 1.11 C ATOM 1127 C LYS A 72 3.065 10.722 -6.420 1.00 0.96 C ATOM 1128 O LYS A 72 2.262 10.419 -5.539 1.00 0.86 O ATOM 1129 CB LYS A 72 4.487 12.892 -6.284 1.00 1.36 C ATOM 1130 CG LYS A 72 5.764 12.623 -7.089 1.00 1.04 C ATOM 1131 CD LYS A 72 6.742 13.814 -7.059 1.00 1.74 C ATOM 1132 CE LYS A 72 6.518 14.845 -8.184 1.00 2.56 C ATOM 1133 NZ LYS A 72 5.247 15.589 -8.066 1.00 3.18 N ATOM 0 H LYS A 72 2.290 13.604 -5.608 1.00 1.08 H new ATOM 0 HA LYS A 72 3.324 12.189 -7.920 1.00 1.11 H new ATOM 0 HB2 LYS A 72 4.309 13.967 -6.256 1.00 1.36 H new ATOM 0 HB3 LYS A 72 4.646 12.569 -5.255 1.00 1.36 H new ATOM 0 HG2 LYS A 72 6.261 11.739 -6.691 1.00 1.04 H new ATOM 0 HG3 LYS A 72 5.498 12.401 -8.123 1.00 1.04 H new ATOM 0 HD2 LYS A 72 6.653 14.318 -6.097 1.00 1.74 H new ATOM 0 HD3 LYS A 72 7.761 13.434 -7.127 1.00 1.74 H new ATOM 0 HE2 LYS A 72 7.345 15.555 -8.184 1.00 2.56 H new ATOM 0 HE3 LYS A 72 6.540 14.331 -9.145 1.00 2.56 H new ATOM 0 HZ1 LYS A 72 5.164 16.262 -8.854 1.00 3.18 H new ATOM 0 HZ2 LYS A 72 4.450 14.922 -8.096 1.00 3.18 H new ATOM 0 HZ3 LYS A 72 5.231 16.108 -7.165 1.00 3.18 H new ATOM 1147 N PHE A 73 3.800 9.802 -7.058 1.00 0.99 N ATOM 1148 CA PHE A 73 3.599 8.351 -6.947 1.00 0.87 C ATOM 1149 C PHE A 73 3.261 7.901 -5.519 1.00 0.77 C ATOM 1150 O PHE A 73 2.198 7.342 -5.257 1.00 0.76 O ATOM 1151 CB PHE A 73 4.826 7.561 -7.465 1.00 0.97 C ATOM 1152 CG PHE A 73 5.787 8.295 -8.388 1.00 2.11 C ATOM 1153 CD1 PHE A 73 6.648 9.283 -7.870 1.00 3.85 C ATOM 1154 CD2 PHE A 73 5.834 7.986 -9.760 1.00 2.87 C ATOM 1155 CE1 PHE A 73 7.428 10.067 -8.739 1.00 5.41 C ATOM 1156 CE2 PHE A 73 6.677 8.714 -10.616 1.00 4.53 C ATOM 1157 CZ PHE A 73 7.436 9.785 -10.117 1.00 5.59 C ATOM 0 H PHE A 73 4.569 10.051 -7.680 1.00 0.99 H new ATOM 0 HA PHE A 73 2.739 8.127 -7.578 1.00 0.87 H new ATOM 0 HB2 PHE A 73 5.390 7.209 -6.601 1.00 0.97 H new ATOM 0 HB3 PHE A 73 4.462 6.678 -7.990 1.00 0.97 H new ATOM 0 HD1 PHE A 73 6.709 9.439 -6.803 1.00 3.85 H new ATOM 0 HD2 PHE A 73 5.222 7.189 -10.155 1.00 2.87 H new ATOM 0 HE1 PHE A 73 8.019 10.883 -8.350 1.00 5.41 H new ATOM 0 HE2 PHE A 73 6.742 8.449 -11.661 1.00 4.53 H new ATOM 0 HZ PHE A 73 8.025 10.391 -10.790 1.00 5.59 H new ATOM 1167 N ASN A 74 4.187 8.166 -4.590 1.00 0.80 N ATOM 1168 CA ASN A 74 4.089 7.727 -3.202 1.00 0.82 C ATOM 1169 C ASN A 74 2.968 8.464 -2.451 1.00 0.87 C ATOM 1170 O ASN A 74 2.470 7.946 -1.452 1.00 0.97 O ATOM 1171 CB ASN A 74 5.473 7.834 -2.539 1.00 0.93 C ATOM 1172 CG ASN A 74 5.500 7.466 -1.055 1.00 1.24 C ATOM 1173 OD1 ASN A 74 5.910 6.362 -0.678 1.00 1.92 O ATOM 1174 ND2 ASN A 74 5.146 8.409 -0.188 1.00 1.61 N ATOM 0 H ASN A 74 5.034 8.698 -4.788 1.00 0.80 H new ATOM 0 HA ASN A 74 3.796 6.678 -3.163 1.00 0.82 H new ATOM 0 HB2 ASN A 74 6.168 7.186 -3.073 1.00 0.93 H new ATOM 0 HB3 ASN A 74 5.838 8.855 -2.653 1.00 0.93 H new ATOM 0 HD21 ASN A 74 5.209 8.230 0.814 1.00 1.61 H new ATOM 0 HD22 ASN A 74 4.811 9.312 -0.525 1.00 1.61 H new ATOM 1181 N GLU A 75 2.555 9.650 -2.923 1.00 0.84 N ATOM 1182 CA GLU A 75 1.406 10.364 -2.382 1.00 0.86 C ATOM 1183 C GLU A 75 0.119 9.658 -2.804 1.00 0.80 C ATOM 1184 O GLU A 75 -0.671 9.272 -1.949 1.00 0.89 O ATOM 1185 CB GLU A 75 1.360 11.823 -2.857 1.00 0.92 C ATOM 1186 CG GLU A 75 2.667 12.595 -2.668 1.00 0.98 C ATOM 1187 CD GLU A 75 2.442 14.041 -3.062 1.00 1.13 C ATOM 1188 OE1 GLU A 75 1.776 14.787 -2.324 1.00 2.40 O ATOM 1189 OE2 GLU A 75 2.837 14.489 -4.159 1.00 1.39 O ATOM 0 H GLU A 75 3.015 10.136 -3.693 1.00 0.84 H new ATOM 0 HA GLU A 75 1.501 10.366 -1.296 1.00 0.86 H new ATOM 0 HB2 GLU A 75 1.093 11.839 -3.914 1.00 0.92 H new ATOM 0 HB3 GLU A 75 0.566 12.342 -2.320 1.00 0.92 H new ATOM 0 HG2 GLU A 75 2.995 12.533 -1.630 1.00 0.98 H new ATOM 0 HG3 GLU A 75 3.456 12.156 -3.278 1.00 0.98 H new ATOM 1196 N TYR A 76 -0.096 9.481 -4.114 1.00 0.74 N ATOM 1197 CA TYR A 76 -1.285 8.777 -4.600 1.00 0.75 C ATOM 1198 C TYR A 76 -1.388 7.431 -3.909 1.00 0.75 C ATOM 1199 O TYR A 76 -2.439 7.065 -3.381 1.00 0.76 O ATOM 1200 CB TYR A 76 -1.235 8.587 -6.131 1.00 0.76 C ATOM 1201 CG TYR A 76 -2.161 7.507 -6.689 1.00 0.84 C ATOM 1202 CD1 TYR A 76 -1.750 6.159 -6.694 1.00 2.23 C ATOM 1203 CD2 TYR A 76 -3.407 7.843 -7.254 1.00 1.90 C ATOM 1204 CE1 TYR A 76 -2.588 5.162 -7.222 1.00 2.70 C ATOM 1205 CE2 TYR A 76 -4.222 6.852 -7.830 1.00 2.04 C ATOM 1206 CZ TYR A 76 -3.810 5.510 -7.816 1.00 1.90 C ATOM 1207 OH TYR A 76 -4.539 4.556 -8.461 1.00 2.60 O ATOM 0 H TYR A 76 0.531 9.812 -4.847 1.00 0.74 H new ATOM 0 HA TYR A 76 -2.165 9.378 -4.368 1.00 0.75 H new ATOM 0 HB2 TYR A 76 -1.484 9.536 -6.606 1.00 0.76 H new ATOM 0 HB3 TYR A 76 -0.211 8.347 -6.417 1.00 0.76 H new ATOM 0 HD1 TYR A 76 -0.785 5.891 -6.290 1.00 2.23 H new ATOM 0 HD2 TYR A 76 -3.739 8.871 -7.245 1.00 1.90 H new ATOM 0 HE1 TYR A 76 -2.290 4.125 -7.170 1.00 2.70 H new ATOM 0 HE2 TYR A 76 -5.164 7.123 -8.283 1.00 2.04 H new ATOM 0 HH TYR A 76 -4.374 3.683 -8.047 1.00 2.60 H new ATOM 1217 N TRP A 77 -0.262 6.716 -3.911 1.00 0.75 N ATOM 1218 CA TRP A 77 -0.147 5.403 -3.328 1.00 0.74 C ATOM 1219 C TRP A 77 -0.775 5.359 -1.925 1.00 0.67 C ATOM 1220 O TRP A 77 -1.388 4.344 -1.603 1.00 0.65 O ATOM 1221 CB TRP A 77 1.322 4.969 -3.388 1.00 0.80 C ATOM 1222 CG TRP A 77 1.669 3.734 -2.634 1.00 0.87 C ATOM 1223 CD1 TRP A 77 2.474 3.732 -1.553 1.00 1.35 C ATOM 1224 CD2 TRP A 77 1.226 2.351 -2.804 1.00 2.30 C ATOM 1225 NE1 TRP A 77 2.505 2.474 -1.005 1.00 1.55 N ATOM 1226 CE2 TRP A 77 1.868 1.563 -1.812 1.00 2.10 C ATOM 1227 CE3 TRP A 77 0.343 1.637 -3.643 1.00 4.14 C ATOM 1228 CZ2 TRP A 77 1.763 0.167 -1.797 1.00 3.39 C ATOM 1229 CZ3 TRP A 77 0.027 0.302 -3.300 1.00 5.18 C ATOM 1230 CH2 TRP A 77 1.072 -0.468 -2.824 1.00 4.93 C ATOM 0 H TRP A 77 0.606 7.051 -4.329 1.00 0.75 H new ATOM 0 HA TRP A 77 -0.720 4.673 -3.899 1.00 0.74 H new ATOM 0 HB2 TRP A 77 1.594 4.821 -4.433 1.00 0.80 H new ATOM 0 HB3 TRP A 77 1.937 5.786 -3.011 1.00 0.80 H new ATOM 0 HD1 TRP A 77 3.012 4.589 -1.176 1.00 1.35 H new ATOM 0 HE1 TRP A 77 2.944 2.245 -0.113 1.00 1.55 H new ATOM 0 HE3 TRP A 77 -0.080 2.098 -4.523 1.00 4.14 H new ATOM 0 HZ2 TRP A 77 2.212 -0.408 -1.000 1.00 3.39 H new ATOM 0 HZ3 TRP A 77 -0.973 -0.093 -3.404 1.00 5.18 H new ATOM 0 HH2 TRP A 77 1.322 -1.447 -3.205 1.00 4.93 H new ATOM 1241 N ARG A 78 -0.682 6.428 -1.106 1.00 0.69 N ATOM 1242 CA ARG A 78 -1.321 6.498 0.220 1.00 0.70 C ATOM 1243 C ARG A 78 -2.728 5.915 0.195 1.00 0.68 C ATOM 1244 O ARG A 78 -3.103 5.154 1.087 1.00 0.71 O ATOM 1245 CB ARG A 78 -1.498 7.931 0.712 1.00 0.80 C ATOM 1246 CG ARG A 78 -0.219 8.727 0.992 1.00 1.30 C ATOM 1247 CD ARG A 78 -0.687 10.168 1.235 1.00 1.77 C ATOM 1248 NE ARG A 78 0.383 11.172 1.224 1.00 2.62 N ATOM 1249 CZ ARG A 78 1.324 11.344 2.157 1.00 3.15 C ATOM 1250 NH1 ARG A 78 1.340 10.559 3.238 1.00 3.17 N ATOM 1251 NH2 ARG A 78 2.238 12.306 1.999 1.00 4.62 N ATOM 0 H ARG A 78 -0.159 7.269 -1.349 1.00 0.69 H new ATOM 0 HA ARG A 78 -0.653 5.937 0.874 1.00 0.70 H new ATOM 0 HB2 ARG A 78 -2.082 8.476 -0.030 1.00 0.80 H new ATOM 0 HB3 ARG A 78 -2.090 7.906 1.627 1.00 0.80 H new ATOM 0 HG2 ARG A 78 0.308 8.332 1.861 1.00 1.30 H new ATOM 0 HG3 ARG A 78 0.470 8.674 0.149 1.00 1.30 H new ATOM 0 HD2 ARG A 78 -1.420 10.431 0.472 1.00 1.77 H new ATOM 0 HD3 ARG A 78 -1.198 10.212 2.197 1.00 1.77 H new ATOM 0 HE ARG A 78 0.411 11.803 0.423 1.00 2.62 H new ATOM 0 HH11 ARG A 78 0.635 9.830 3.350 1.00 3.17 H new ATOM 0 HH12 ARG A 78 2.057 10.688 3.952 1.00 3.17 H new ATOM 0 HH21 ARG A 78 2.214 12.902 1.171 1.00 4.62 H new ATOM 0 HH22 ARG A 78 2.960 12.445 2.706 1.00 4.62 H new ATOM 1265 N LEU A 79 -3.507 6.294 -0.820 1.00 0.68 N ATOM 1266 CA LEU A 79 -4.881 5.867 -0.953 1.00 0.72 C ATOM 1267 C LEU A 79 -4.984 4.362 -0.801 1.00 0.74 C ATOM 1268 O LEU A 79 -5.897 3.888 -0.147 1.00 0.78 O ATOM 1269 CB LEU A 79 -5.421 6.282 -2.319 1.00 0.78 C ATOM 1270 CG LEU A 79 -6.948 6.114 -2.391 1.00 0.87 C ATOM 1271 CD1 LEU A 79 -7.632 7.367 -1.845 1.00 0.83 C ATOM 1272 CD2 LEU A 79 -7.392 5.822 -3.825 1.00 0.93 C ATOM 0 H LEU A 79 -3.191 6.908 -1.570 1.00 0.68 H new ATOM 0 HA LEU A 79 -5.471 6.341 -0.169 1.00 0.72 H new ATOM 0 HB2 LEU A 79 -5.158 7.321 -2.516 1.00 0.78 H new ATOM 0 HB3 LEU A 79 -4.950 5.681 -3.097 1.00 0.78 H new ATOM 0 HG LEU A 79 -7.242 5.263 -1.776 1.00 0.87 H new ATOM 0 HD11 LEU A 79 -8.714 7.243 -1.898 1.00 0.83 H new ATOM 0 HD12 LEU A 79 -7.335 7.521 -0.808 1.00 0.83 H new ATOM 0 HD13 LEU A 79 -7.336 8.231 -2.439 1.00 0.83 H new ATOM 0 HD21 LEU A 79 -8.475 5.707 -3.854 1.00 0.93 H new ATOM 0 HD22 LEU A 79 -7.098 6.648 -4.472 1.00 0.93 H new ATOM 0 HD23 LEU A 79 -6.920 4.903 -4.172 1.00 0.93 H new ATOM 1284 N ILE A 80 -4.048 3.607 -1.374 1.00 0.76 N ATOM 1285 CA ILE A 80 -4.115 2.155 -1.379 1.00 0.84 C ATOM 1286 C ILE A 80 -3.757 1.631 0.019 1.00 0.84 C ATOM 1287 O ILE A 80 -4.260 0.595 0.458 1.00 0.86 O ATOM 1288 CB ILE A 80 -3.267 1.615 -2.542 1.00 0.94 C ATOM 1289 CG1 ILE A 80 -3.864 2.105 -3.880 1.00 1.18 C ATOM 1290 CG2 ILE A 80 -3.252 0.082 -2.548 1.00 1.05 C ATOM 1291 CD1 ILE A 80 -2.812 2.222 -4.979 1.00 1.32 C ATOM 0 H ILE A 80 -3.227 3.987 -1.845 1.00 0.76 H new ATOM 0 HA ILE A 80 -5.122 1.784 -1.570 1.00 0.84 H new ATOM 0 HB ILE A 80 -2.247 1.979 -2.417 1.00 0.94 H new ATOM 0 HG12 ILE A 80 -4.645 1.415 -4.200 1.00 1.18 H new ATOM 0 HG13 ILE A 80 -4.338 3.075 -3.730 1.00 1.18 H new ATOM 0 HG21 ILE A 80 -2.645 -0.273 -3.381 1.00 1.05 H new ATOM 0 HG22 ILE A 80 -2.830 -0.281 -1.611 1.00 1.05 H new ATOM 0 HG23 ILE A 80 -4.270 -0.291 -2.656 1.00 1.05 H new ATOM 0 HD11 ILE A 80 -3.283 2.570 -5.898 1.00 1.32 H new ATOM 0 HD12 ILE A 80 -2.044 2.933 -4.673 1.00 1.32 H new ATOM 0 HD13 ILE A 80 -2.356 1.247 -5.152 1.00 1.32 H new ATOM 1303 N GLY A 81 -2.972 2.413 0.763 1.00 0.93 N ATOM 1304 CA GLY A 81 -2.788 2.261 2.193 1.00 1.06 C ATOM 1305 C GLY A 81 -4.118 2.322 2.887 1.00 1.06 C ATOM 1306 O GLY A 81 -4.398 1.528 3.777 1.00 1.17 O ATOM 0 H GLY A 81 -2.436 3.187 0.370 1.00 0.93 H new ATOM 0 HA2 GLY A 81 -2.299 1.310 2.407 1.00 1.06 H new ATOM 0 HA3 GLY A 81 -2.134 3.047 2.570 1.00 1.06 H new ATOM 1310 N GLU A 82 -4.935 3.271 2.465 1.00 1.02 N ATOM 1311 CA GLU A 82 -6.228 3.481 3.056 1.00 1.12 C ATOM 1312 C GLU A 82 -7.238 2.484 2.501 1.00 1.15 C ATOM 1313 O GLU A 82 -8.083 2.062 3.255 1.00 1.43 O ATOM 1314 CB GLU A 82 -6.598 4.952 2.953 1.00 1.06 C ATOM 1315 CG GLU A 82 -5.494 5.783 3.649 1.00 1.25 C ATOM 1316 CD GLU A 82 -5.746 5.991 5.142 1.00 1.82 C ATOM 1317 OE1 GLU A 82 -6.706 5.416 5.729 1.00 3.11 O ATOM 1318 OE2 GLU A 82 -4.842 6.556 5.794 1.00 2.05 O ATOM 0 H GLU A 82 -4.713 3.912 1.704 1.00 1.02 H new ATOM 0 HA GLU A 82 -6.220 3.269 4.125 1.00 1.12 H new ATOM 0 HB2 GLU A 82 -6.693 5.247 1.908 1.00 1.06 H new ATOM 0 HB3 GLU A 82 -7.564 5.134 3.424 1.00 1.06 H new ATOM 0 HG2 GLU A 82 -4.534 5.284 3.516 1.00 1.25 H new ATOM 0 HG3 GLU A 82 -5.418 6.755 3.161 1.00 1.25 H new ATOM 1325 N LEU A 83 -7.151 2.000 1.261 1.00 1.00 N ATOM 1326 CA LEU A 83 -7.961 0.859 0.838 1.00 1.01 C ATOM 1327 C LEU A 83 -7.719 -0.298 1.820 1.00 0.94 C ATOM 1328 O LEU A 83 -8.640 -0.789 2.476 1.00 0.94 O ATOM 1329 CB LEU A 83 -7.561 0.384 -0.569 1.00 1.18 C ATOM 1330 CG LEU A 83 -8.195 1.005 -1.825 1.00 1.14 C ATOM 1331 CD1 LEU A 83 -8.127 2.526 -1.864 1.00 1.88 C ATOM 1332 CD2 LEU A 83 -7.543 0.398 -3.069 1.00 2.42 C ATOM 0 H LEU A 83 -6.535 2.376 0.540 1.00 1.00 H new ATOM 0 HA LEU A 83 -9.008 1.162 0.823 1.00 1.01 H new ATOM 0 HB2 LEU A 83 -6.483 0.518 -0.656 1.00 1.18 H new ATOM 0 HB3 LEU A 83 -7.754 -0.688 -0.611 1.00 1.18 H new ATOM 0 HG LEU A 83 -9.258 0.766 -1.799 1.00 1.14 H new ATOM 0 HD11 LEU A 83 -8.595 2.888 -2.780 1.00 1.88 H new ATOM 0 HD12 LEU A 83 -8.653 2.936 -1.002 1.00 1.88 H new ATOM 0 HD13 LEU A 83 -7.085 2.844 -1.838 1.00 1.88 H new ATOM 0 HD21 LEU A 83 -7.988 0.834 -3.963 1.00 2.42 H new ATOM 0 HD22 LEU A 83 -6.473 0.607 -3.058 1.00 2.42 H new ATOM 0 HD23 LEU A 83 -7.702 -0.680 -3.074 1.00 2.42 H new ATOM 1344 N ALA A 84 -6.454 -0.727 1.910 1.00 0.94 N ATOM 1345 CA ALA A 84 -6.035 -1.827 2.764 1.00 0.96 C ATOM 1346 C ALA A 84 -6.470 -1.582 4.209 1.00 1.00 C ATOM 1347 O ALA A 84 -7.122 -2.414 4.845 1.00 1.35 O ATOM 1348 CB ALA A 84 -4.511 -1.969 2.660 1.00 0.95 C ATOM 0 H ALA A 84 -5.688 -0.309 1.381 1.00 0.94 H new ATOM 0 HA ALA A 84 -6.508 -2.753 2.438 1.00 0.96 H new ATOM 0 HB1 ALA A 84 -4.178 -2.790 3.295 1.00 0.95 H new ATOM 0 HB2 ALA A 84 -4.234 -2.174 1.626 1.00 0.95 H new ATOM 0 HB3 ALA A 84 -4.036 -1.043 2.986 1.00 0.95 H new ATOM 1354 N LYS A 85 -6.095 -0.419 4.738 1.00 0.84 N ATOM 1355 CA LYS A 85 -6.402 -0.067 6.103 1.00 0.87 C ATOM 1356 C LYS A 85 -7.906 0.031 6.309 1.00 0.86 C ATOM 1357 O LYS A 85 -8.346 -0.438 7.335 1.00 0.99 O ATOM 1358 CB LYS A 85 -5.630 1.175 6.564 1.00 1.06 C ATOM 1359 CG LYS A 85 -6.027 1.600 7.987 1.00 0.93 C ATOM 1360 CD LYS A 85 -5.059 2.539 8.712 1.00 1.68 C ATOM 1361 CE LYS A 85 -4.247 3.469 7.808 1.00 1.18 C ATOM 1362 NZ LYS A 85 -4.935 4.753 7.579 1.00 1.56 N ATOM 0 H LYS A 85 -5.574 0.294 4.228 1.00 0.84 H new ATOM 0 HA LYS A 85 -6.055 -0.870 6.753 1.00 0.87 H new ATOM 0 HB2 LYS A 85 -4.560 0.970 6.531 1.00 1.06 H new ATOM 0 HB3 LYS A 85 -5.819 1.997 5.873 1.00 1.06 H new ATOM 0 HG2 LYS A 85 -7.002 2.085 7.939 1.00 0.93 H new ATOM 0 HG3 LYS A 85 -6.148 0.701 8.591 1.00 0.93 H new ATOM 0 HD2 LYS A 85 -5.628 3.148 9.414 1.00 1.68 H new ATOM 0 HD3 LYS A 85 -4.367 1.936 9.300 1.00 1.68 H new ATOM 0 HE2 LYS A 85 -3.273 3.655 8.260 1.00 1.18 H new ATOM 0 HE3 LYS A 85 -4.066 2.979 6.852 1.00 1.18 H new ATOM 0 HZ1 LYS A 85 -4.360 5.347 6.948 1.00 1.56 H new ATOM 0 HZ2 LYS A 85 -5.861 4.577 7.140 1.00 1.56 H new ATOM 0 HZ3 LYS A 85 -5.070 5.241 8.487 1.00 1.56 H new ATOM 1376 N GLU A 86 -8.713 0.588 5.405 1.00 0.84 N ATOM 1377 CA GLU A 86 -10.165 0.655 5.567 1.00 0.94 C ATOM 1378 C GLU A 86 -10.689 -0.741 5.902 1.00 1.13 C ATOM 1379 O GLU A 86 -11.304 -0.921 6.951 1.00 1.56 O ATOM 1380 CB GLU A 86 -10.850 1.291 4.346 1.00 1.06 C ATOM 1381 CG GLU A 86 -10.543 2.800 4.258 1.00 1.14 C ATOM 1382 CD GLU A 86 -11.587 3.698 4.903 1.00 1.64 C ATOM 1383 OE1 GLU A 86 -12.766 3.600 4.510 1.00 3.23 O ATOM 1384 OE2 GLU A 86 -11.166 4.509 5.760 1.00 1.97 O ATOM 0 H GLU A 86 -8.377 1.006 4.538 1.00 0.84 H new ATOM 0 HA GLU A 86 -10.413 1.316 6.398 1.00 0.94 H new ATOM 0 HB2 GLU A 86 -10.512 0.795 3.436 1.00 1.06 H new ATOM 0 HB3 GLU A 86 -11.928 1.139 4.410 1.00 1.06 H new ATOM 0 HG2 GLU A 86 -9.579 2.989 4.730 1.00 1.14 H new ATOM 0 HG3 GLU A 86 -10.444 3.076 3.208 1.00 1.14 H new ATOM 1391 N ILE A 87 -10.314 -1.748 5.103 1.00 1.03 N ATOM 1392 CA ILE A 87 -10.607 -3.138 5.437 1.00 1.26 C ATOM 1393 C ILE A 87 -10.123 -3.490 6.861 1.00 1.55 C ATOM 1394 O ILE A 87 -10.881 -4.055 7.654 1.00 2.01 O ATOM 1395 CB ILE A 87 -10.131 -4.088 4.306 1.00 1.06 C ATOM 1396 CG1 ILE A 87 -11.285 -4.214 3.292 1.00 1.31 C ATOM 1397 CG2 ILE A 87 -9.731 -5.473 4.842 1.00 1.91 C ATOM 1398 CD1 ILE A 87 -11.057 -5.260 2.200 1.00 1.02 C ATOM 0 H ILE A 87 -9.809 -1.622 4.226 1.00 1.03 H new ATOM 0 HA ILE A 87 -11.686 -3.286 5.484 1.00 1.26 H new ATOM 0 HB ILE A 87 -9.239 -3.673 3.836 1.00 1.06 H new ATOM 0 HG12 ILE A 87 -12.200 -4.462 3.830 1.00 1.31 H new ATOM 0 HG13 ILE A 87 -11.446 -3.244 2.821 1.00 1.31 H new ATOM 0 HG21 ILE A 87 -9.405 -6.103 4.015 1.00 1.91 H new ATOM 0 HG22 ILE A 87 -8.917 -5.365 5.558 1.00 1.91 H new ATOM 0 HG23 ILE A 87 -10.588 -5.934 5.334 1.00 1.91 H new ATOM 0 HD11 ILE A 87 -11.918 -5.281 1.531 1.00 1.02 H new ATOM 0 HD12 ILE A 87 -10.163 -5.004 1.632 1.00 1.02 H new ATOM 0 HD13 ILE A 87 -10.928 -6.241 2.657 1.00 1.02 H new ATOM 1410 N ARG A 88 -8.886 -3.128 7.214 1.00 1.64 N ATOM 1411 CA ARG A 88 -8.390 -3.021 8.595 1.00 2.15 C ATOM 1412 C ARG A 88 -9.393 -2.436 9.619 1.00 1.88 C ATOM 1413 O ARG A 88 -9.732 -3.057 10.627 1.00 2.53 O ATOM 1414 CB ARG A 88 -7.552 -4.233 9.027 1.00 2.11 C ATOM 1415 CG ARG A 88 -8.250 -5.595 9.071 1.00 2.24 C ATOM 1416 CD ARG A 88 -7.186 -6.677 8.814 1.00 3.68 C ATOM 1417 NE ARG A 88 -7.679 -8.060 8.967 1.00 5.09 N ATOM 1418 CZ ARG A 88 -8.653 -8.645 8.247 1.00 6.27 C ATOM 1419 NH1 ARG A 88 -9.258 -7.979 7.259 1.00 6.76 N ATOM 1420 NH2 ARG A 88 -9.028 -9.894 8.530 1.00 7.60 N ATOM 0 H ARG A 88 -8.174 -2.892 6.523 1.00 1.64 H new ATOM 0 HA ARG A 88 -7.658 -2.214 8.588 1.00 2.15 H new ATOM 0 HB2 ARG A 88 -6.702 -4.313 8.350 1.00 2.11 H new ATOM 0 HB3 ARG A 88 -7.151 -4.028 10.020 1.00 2.11 H new ATOM 0 HG2 ARG A 88 -8.726 -5.749 10.039 1.00 2.24 H new ATOM 0 HG3 ARG A 88 -9.036 -5.646 8.318 1.00 2.24 H new ATOM 0 HD2 ARG A 88 -6.794 -6.553 7.804 1.00 3.68 H new ATOM 0 HD3 ARG A 88 -6.354 -6.522 9.500 1.00 3.68 H new ATOM 0 HE ARG A 88 -7.237 -8.628 9.690 1.00 5.09 H new ATOM 0 HH11 ARG A 88 -8.982 -7.020 7.046 1.00 6.76 H new ATOM 0 HH12 ARG A 88 -9.996 -8.429 6.717 1.00 6.76 H new ATOM 0 HH21 ARG A 88 -8.576 -10.402 9.290 1.00 7.60 H new ATOM 0 HH22 ARG A 88 -9.766 -10.340 7.986 1.00 7.60 H new ATOM 1434 N LYS A 89 -9.852 -1.211 9.349 1.00 1.22 N ATOM 1435 CA LYS A 89 -9.849 -0.043 10.237 1.00 1.55 C ATOM 1436 C LYS A 89 -10.997 -0.033 11.243 1.00 2.73 C ATOM 1437 O LYS A 89 -11.995 -0.742 11.104 1.00 3.35 O ATOM 1438 CB LYS A 89 -9.808 1.199 9.316 1.00 0.99 C ATOM 1439 CG LYS A 89 -9.778 2.680 9.723 1.00 1.14 C ATOM 1440 CD LYS A 89 -9.703 3.433 8.367 1.00 1.92 C ATOM 1441 CE LYS A 89 -9.258 4.907 8.386 1.00 2.49 C ATOM 1442 NZ LYS A 89 -9.054 5.445 7.012 1.00 4.23 N ATOM 0 H LYS A 89 -10.264 -0.993 8.442 1.00 1.22 H new ATOM 0 HA LYS A 89 -8.975 -0.059 10.888 1.00 1.55 H new ATOM 0 HB2 LYS A 89 -8.927 1.059 8.690 1.00 0.99 H new ATOM 0 HB3 LYS A 89 -10.679 1.100 8.668 1.00 0.99 H new ATOM 0 HG2 LYS A 89 -10.668 2.958 10.287 1.00 1.14 H new ATOM 0 HG3 LYS A 89 -8.918 2.905 10.354 1.00 1.14 H new ATOM 0 HD2 LYS A 89 -9.020 2.886 7.718 1.00 1.92 H new ATOM 0 HD3 LYS A 89 -10.689 3.387 7.904 1.00 1.92 H new ATOM 0 HE2 LYS A 89 -10.008 5.506 8.902 1.00 2.49 H new ATOM 0 HE3 LYS A 89 -8.332 4.999 8.953 1.00 2.49 H new ATOM 0 HZ1 LYS A 89 -9.192 6.476 7.019 1.00 4.23 H new ATOM 0 HZ2 LYS A 89 -8.088 5.227 6.694 1.00 4.23 H new ATOM 0 HZ3 LYS A 89 -9.739 5.008 6.363 1.00 4.23 H new ATOM 1710 N LEU B 6 -15.779 -8.798 -3.143 1.00 1.63 N ATOM 1711 CA LEU B 6 -15.273 -7.443 -3.310 1.00 1.35 C ATOM 1712 C LEU B 6 -14.796 -7.251 -4.759 1.00 1.24 C ATOM 1713 O LEU B 6 -14.695 -8.243 -5.483 1.00 1.75 O ATOM 1714 CB LEU B 6 -14.170 -7.219 -2.260 1.00 1.59 C ATOM 1715 CG LEU B 6 -12.850 -8.011 -2.408 1.00 2.71 C ATOM 1716 CD1 LEU B 6 -12.028 -7.847 -1.124 1.00 2.51 C ATOM 1717 CD2 LEU B 6 -12.925 -9.500 -2.774 1.00 5.04 C ATOM 0 HA LEU B 6 -16.046 -6.692 -3.144 1.00 1.35 H new ATOM 0 HB2 LEU B 6 -13.923 -6.157 -2.258 1.00 1.59 H new ATOM 0 HB3 LEU B 6 -14.590 -7.451 -1.281 1.00 1.59 H new ATOM 0 HG LEU B 6 -12.386 -7.566 -3.288 1.00 2.71 H new ATOM 0 HD11 LEU B 6 -11.094 -8.402 -1.217 1.00 2.51 H new ATOM 0 HD12 LEU B 6 -11.809 -6.791 -0.965 1.00 2.51 H new ATOM 0 HD13 LEU B 6 -12.596 -8.232 -0.277 1.00 2.51 H new ATOM 0 HD21 LEU B 6 -11.917 -9.910 -2.839 1.00 5.04 H new ATOM 0 HD22 LEU B 6 -13.485 -10.035 -2.007 1.00 5.04 H new ATOM 0 HD23 LEU B 6 -13.426 -9.614 -3.735 1.00 5.04 H new ATOM 1729 N THR B 7 -14.550 -6.011 -5.211 1.00 1.00 N ATOM 1730 CA THR B 7 -14.103 -5.754 -6.586 1.00 0.99 C ATOM 1731 C THR B 7 -12.590 -5.957 -6.719 1.00 0.98 C ATOM 1732 O THR B 7 -11.955 -6.528 -5.841 1.00 1.72 O ATOM 1733 CB THR B 7 -14.568 -4.379 -7.107 1.00 1.09 C ATOM 1734 OG1 THR B 7 -14.326 -4.278 -8.501 1.00 1.25 O ATOM 1735 CG2 THR B 7 -13.879 -3.201 -6.416 1.00 1.09 C ATOM 0 H THR B 7 -14.654 -5.171 -4.642 1.00 1.00 H new ATOM 0 HA THR B 7 -14.584 -6.490 -7.231 1.00 0.99 H new ATOM 0 HB THR B 7 -15.633 -4.321 -6.884 1.00 1.09 H new ATOM 0 HG1 THR B 7 -14.266 -3.333 -8.755 1.00 1.25 H new ATOM 0 HG21 THR B 7 -14.254 -2.266 -6.832 1.00 1.09 H new ATOM 0 HG22 THR B 7 -14.089 -3.233 -5.347 1.00 1.09 H new ATOM 0 HG23 THR B 7 -12.803 -3.264 -6.577 1.00 1.09 H new ATOM 1743 N GLU B 8 -12.000 -5.479 -7.816 1.00 0.88 N ATOM 1744 CA GLU B 8 -10.647 -5.814 -8.210 1.00 0.81 C ATOM 1745 C GLU B 8 -9.617 -5.134 -7.305 1.00 0.70 C ATOM 1746 O GLU B 8 -8.842 -5.796 -6.622 1.00 0.73 O ATOM 1747 CB GLU B 8 -10.459 -5.460 -9.685 1.00 0.98 C ATOM 1748 CG GLU B 8 -9.205 -6.141 -10.231 1.00 1.12 C ATOM 1749 CD GLU B 8 -9.012 -5.795 -11.703 1.00 1.43 C ATOM 1750 OE1 GLU B 8 -9.168 -4.594 -12.019 1.00 1.66 O ATOM 1751 OE2 GLU B 8 -8.747 -6.732 -12.484 1.00 2.13 O ATOM 0 H GLU B 8 -12.464 -4.838 -8.460 1.00 0.88 H new ATOM 0 HA GLU B 8 -10.484 -6.885 -8.090 1.00 0.81 H new ATOM 0 HB2 GLU B 8 -11.332 -5.775 -10.257 1.00 0.98 H new ATOM 0 HB3 GLU B 8 -10.375 -4.379 -9.800 1.00 0.98 H new ATOM 0 HG2 GLU B 8 -8.333 -5.824 -9.659 1.00 1.12 H new ATOM 0 HG3 GLU B 8 -9.289 -7.221 -10.113 1.00 1.12 H new ATOM 1758 N LEU B 9 -9.594 -3.798 -7.255 1.00 0.68 N ATOM 1759 CA LEU B 9 -8.659 -3.143 -6.345 1.00 0.68 C ATOM 1760 C LEU B 9 -8.880 -3.623 -4.907 1.00 0.66 C ATOM 1761 O LEU B 9 -7.909 -3.844 -4.185 1.00 0.69 O ATOM 1762 CB LEU B 9 -8.728 -1.618 -6.485 1.00 0.72 C ATOM 1763 CG LEU B 9 -7.788 -1.156 -7.613 1.00 0.77 C ATOM 1764 CD1 LEU B 9 -8.174 0.225 -8.141 1.00 0.96 C ATOM 1765 CD2 LEU B 9 -6.347 -1.040 -7.094 1.00 1.05 C ATOM 0 H LEU B 9 -10.184 -3.176 -7.808 1.00 0.68 H new ATOM 0 HA LEU B 9 -7.643 -3.428 -6.619 1.00 0.68 H new ATOM 0 HB2 LEU B 9 -9.751 -1.309 -6.702 1.00 0.72 H new ATOM 0 HB3 LEU B 9 -8.444 -1.144 -5.545 1.00 0.72 H new ATOM 0 HG LEU B 9 -7.870 -1.899 -8.406 1.00 0.77 H new ATOM 0 HD11 LEU B 9 -7.487 0.516 -8.936 1.00 0.96 H new ATOM 0 HD12 LEU B 9 -9.190 0.193 -8.533 1.00 0.96 H new ATOM 0 HD13 LEU B 9 -8.120 0.952 -7.331 1.00 0.96 H new ATOM 0 HD21 LEU B 9 -5.694 -0.712 -7.903 1.00 1.05 H new ATOM 0 HD22 LEU B 9 -6.310 -0.314 -6.282 1.00 1.05 H new ATOM 0 HD23 LEU B 9 -6.013 -2.011 -6.729 1.00 1.05 H new ATOM 1777 N GLU B 10 -10.143 -3.838 -4.524 1.00 0.69 N ATOM 1778 CA GLU B 10 -10.511 -4.405 -3.239 1.00 0.74 C ATOM 1779 C GLU B 10 -9.908 -5.813 -3.038 1.00 0.87 C ATOM 1780 O GLU B 10 -9.389 -6.109 -1.963 1.00 1.28 O ATOM 1781 CB GLU B 10 -12.035 -4.388 -3.070 1.00 0.85 C ATOM 1782 CG GLU B 10 -12.663 -2.985 -3.171 1.00 1.48 C ATOM 1783 CD GLU B 10 -14.188 -3.005 -3.018 1.00 2.14 C ATOM 1784 OE1 GLU B 10 -14.762 -4.091 -3.261 1.00 2.94 O ATOM 1785 OE2 GLU B 10 -14.769 -1.918 -2.802 1.00 2.94 O ATOM 0 H GLU B 10 -10.945 -3.617 -5.114 1.00 0.69 H new ATOM 0 HA GLU B 10 -10.084 -3.783 -2.452 1.00 0.74 H new ATOM 0 HB2 GLU B 10 -12.481 -5.030 -3.830 1.00 0.85 H new ATOM 0 HB3 GLU B 10 -12.287 -4.818 -2.101 1.00 0.85 H new ATOM 0 HG2 GLU B 10 -12.234 -2.343 -2.402 1.00 1.48 H new ATOM 0 HG3 GLU B 10 -12.405 -2.545 -4.134 1.00 1.48 H new ATOM 1792 N GLU B 11 -9.942 -6.692 -4.048 1.00 0.75 N ATOM 1793 CA GLU B 11 -9.341 -8.018 -3.934 1.00 0.74 C ATOM 1794 C GLU B 11 -7.834 -7.864 -3.751 1.00 0.70 C ATOM 1795 O GLU B 11 -7.243 -8.446 -2.844 1.00 0.78 O ATOM 1796 CB GLU B 11 -9.786 -8.975 -5.067 1.00 0.83 C ATOM 1797 CG GLU B 11 -9.005 -9.044 -6.387 1.00 2.05 C ATOM 1798 CD GLU B 11 -7.572 -9.553 -6.251 1.00 3.65 C ATOM 1799 OE1 GLU B 11 -7.396 -10.548 -5.518 1.00 3.98 O ATOM 1800 OE2 GLU B 11 -6.679 -8.921 -6.857 1.00 5.11 O ATOM 0 H GLU B 11 -10.380 -6.505 -4.950 1.00 0.75 H new ATOM 0 HA GLU B 11 -9.714 -8.523 -3.043 1.00 0.74 H new ATOM 0 HB2 GLU B 11 -9.800 -9.982 -4.649 1.00 0.83 H new ATOM 0 HB3 GLU B 11 -10.816 -8.719 -5.317 1.00 0.83 H new ATOM 0 HG2 GLU B 11 -9.543 -9.692 -7.079 1.00 2.05 H new ATOM 0 HG3 GLU B 11 -8.983 -8.050 -6.833 1.00 2.05 H new ATOM 1807 N SER B 12 -7.235 -7.001 -4.575 1.00 0.64 N ATOM 1808 CA SER B 12 -5.802 -6.778 -4.587 1.00 0.65 C ATOM 1809 C SER B 12 -5.314 -6.300 -3.216 1.00 0.63 C ATOM 1810 O SER B 12 -4.329 -6.820 -2.691 1.00 0.71 O ATOM 1811 CB SER B 12 -5.451 -5.808 -5.720 1.00 0.76 C ATOM 1812 OG SER B 12 -4.059 -5.827 -5.968 1.00 1.72 O ATOM 0 H SER B 12 -7.743 -6.436 -5.256 1.00 0.64 H new ATOM 0 HA SER B 12 -5.280 -7.715 -4.781 1.00 0.65 H new ATOM 0 HB2 SER B 12 -5.992 -6.084 -6.625 1.00 0.76 H new ATOM 0 HB3 SER B 12 -5.766 -4.799 -5.455 1.00 0.76 H new ATOM 0 HG SER B 12 -3.618 -5.153 -5.410 1.00 1.72 H new ATOM 1818 N ILE B 13 -6.004 -5.331 -2.603 1.00 0.61 N ATOM 1819 CA ILE B 13 -5.667 -4.902 -1.251 1.00 0.66 C ATOM 1820 C ILE B 13 -5.950 -6.011 -0.238 1.00 0.71 C ATOM 1821 O ILE B 13 -5.136 -6.224 0.659 1.00 0.79 O ATOM 1822 CB ILE B 13 -6.283 -3.532 -0.897 1.00 0.72 C ATOM 1823 CG1 ILE B 13 -7.790 -3.439 -1.154 1.00 0.73 C ATOM 1824 CG2 ILE B 13 -5.543 -2.487 -1.737 1.00 0.77 C ATOM 1825 CD1 ILE B 13 -8.613 -3.655 0.108 1.00 0.79 C ATOM 0 H ILE B 13 -6.792 -4.836 -3.022 1.00 0.61 H new ATOM 0 HA ILE B 13 -4.592 -4.728 -1.205 1.00 0.66 H new ATOM 0 HB ILE B 13 -6.168 -3.368 0.174 1.00 0.72 H new ATOM 0 HG12 ILE B 13 -8.024 -2.460 -1.573 1.00 0.73 H new ATOM 0 HG13 ILE B 13 -8.074 -4.181 -1.900 1.00 0.73 H new ATOM 0 HG21 ILE B 13 -5.944 -1.497 -1.522 1.00 0.77 H new ATOM 0 HG22 ILE B 13 -4.481 -2.509 -1.493 1.00 0.77 H new ATOM 0 HG23 ILE B 13 -5.676 -2.710 -2.796 1.00 0.77 H new ATOM 0 HD11 ILE B 13 -9.674 -3.578 -0.132 1.00 0.79 H new ATOM 0 HD12 ILE B 13 -8.403 -4.645 0.514 1.00 0.79 H new ATOM 0 HD13 ILE B 13 -8.352 -2.897 0.847 1.00 0.79 H new ATOM 1837 N GLU B 14 -7.058 -6.747 -0.370 1.00 0.70 N ATOM 1838 CA GLU B 14 -7.337 -7.808 0.586 1.00 0.75 C ATOM 1839 C GLU B 14 -6.220 -8.856 0.567 1.00 0.74 C ATOM 1840 O GLU B 14 -5.617 -9.104 1.605 1.00 0.77 O ATOM 1841 CB GLU B 14 -8.720 -8.428 0.378 1.00 0.85 C ATOM 1842 CG GLU B 14 -9.333 -8.897 1.707 1.00 1.04 C ATOM 1843 CD GLU B 14 -8.411 -9.782 2.545 1.00 1.70 C ATOM 1844 OE1 GLU B 14 -8.102 -10.894 2.067 1.00 2.28 O ATOM 1845 OE2 GLU B 14 -8.043 -9.336 3.655 1.00 3.20 O ATOM 0 H GLU B 14 -7.753 -6.630 -1.107 1.00 0.70 H new ATOM 0 HA GLU B 14 -7.358 -7.363 1.581 1.00 0.75 H new ATOM 0 HB2 GLU B 14 -9.380 -7.698 -0.091 1.00 0.85 H new ATOM 0 HB3 GLU B 14 -8.642 -9.273 -0.306 1.00 0.85 H new ATOM 0 HG2 GLU B 14 -9.611 -8.022 2.295 1.00 1.04 H new ATOM 0 HG3 GLU B 14 -10.252 -9.445 1.497 1.00 1.04 H new ATOM 1852 N THR B 15 -5.896 -9.440 -0.591 1.00 0.74 N ATOM 1853 CA THR B 15 -4.946 -10.548 -0.659 1.00 0.77 C ATOM 1854 C THR B 15 -3.617 -10.199 0.038 1.00 0.74 C ATOM 1855 O THR B 15 -3.016 -11.034 0.718 1.00 0.78 O ATOM 1856 CB THR B 15 -4.793 -11.083 -2.096 1.00 0.85 C ATOM 1857 OG1 THR B 15 -4.183 -12.359 -2.078 1.00 1.15 O ATOM 1858 CG2 THR B 15 -4.009 -10.168 -3.034 1.00 0.79 C ATOM 0 H THR B 15 -6.280 -9.161 -1.494 1.00 0.74 H new ATOM 0 HA THR B 15 -5.354 -11.384 -0.091 1.00 0.77 H new ATOM 0 HB THR B 15 -5.807 -11.136 -2.493 1.00 0.85 H new ATOM 0 HG1 THR B 15 -4.092 -12.691 -2.996 1.00 1.15 H new ATOM 0 HG21 THR B 15 -3.951 -10.624 -4.022 1.00 0.79 H new ATOM 0 HG22 THR B 15 -4.513 -9.204 -3.108 1.00 0.79 H new ATOM 0 HG23 THR B 15 -3.002 -10.022 -2.642 1.00 0.79 H new ATOM 1866 N VAL B 16 -3.171 -8.944 -0.072 1.00 0.69 N ATOM 1867 CA VAL B 16 -1.982 -8.490 0.638 1.00 0.67 C ATOM 1868 C VAL B 16 -2.276 -8.207 2.114 1.00 0.67 C ATOM 1869 O VAL B 16 -1.440 -8.520 2.959 1.00 0.68 O ATOM 1870 CB VAL B 16 -1.283 -7.321 -0.069 1.00 0.67 C ATOM 1871 CG1 VAL B 16 -0.895 -7.715 -1.498 1.00 0.78 C ATOM 1872 CG2 VAL B 16 -2.109 -6.034 -0.103 1.00 0.70 C ATOM 0 H VAL B 16 -3.618 -8.229 -0.646 1.00 0.69 H new ATOM 0 HA VAL B 16 -1.267 -9.312 0.617 1.00 0.67 H new ATOM 0 HB VAL B 16 -0.393 -7.108 0.523 1.00 0.67 H new ATOM 0 HG11 VAL B 16 -0.400 -6.875 -1.985 1.00 0.78 H new ATOM 0 HG12 VAL B 16 -0.217 -8.568 -1.469 1.00 0.78 H new ATOM 0 HG13 VAL B 16 -1.791 -7.983 -2.058 1.00 0.78 H new ATOM 0 HG21 VAL B 16 -1.548 -5.255 -0.619 1.00 0.70 H new ATOM 0 HG22 VAL B 16 -3.045 -6.216 -0.631 1.00 0.70 H new ATOM 0 HG23 VAL B 16 -2.324 -5.712 0.916 1.00 0.70 H new ATOM 1882 N VAL B 17 -3.439 -7.641 2.455 1.00 0.70 N ATOM 1883 CA VAL B 17 -3.850 -7.471 3.845 1.00 0.73 C ATOM 1884 C VAL B 17 -3.856 -8.819 4.570 1.00 0.75 C ATOM 1885 O VAL B 17 -3.266 -8.929 5.640 1.00 0.80 O ATOM 1886 CB VAL B 17 -5.204 -6.749 3.948 1.00 0.78 C ATOM 1887 CG1 VAL B 17 -5.837 -6.889 5.337 1.00 0.82 C ATOM 1888 CG2 VAL B 17 -5.022 -5.253 3.676 1.00 0.80 C ATOM 0 H VAL B 17 -4.115 -7.291 1.776 1.00 0.70 H new ATOM 0 HA VAL B 17 -3.121 -6.832 4.343 1.00 0.73 H new ATOM 0 HB VAL B 17 -5.858 -7.213 3.210 1.00 0.78 H new ATOM 0 HG11 VAL B 17 -6.791 -6.362 5.357 1.00 0.82 H new ATOM 0 HG12 VAL B 17 -6.001 -7.944 5.558 1.00 0.82 H new ATOM 0 HG13 VAL B 17 -5.170 -6.461 6.086 1.00 0.82 H new ATOM 0 HG21 VAL B 17 -5.986 -4.750 3.751 1.00 0.80 H new ATOM 0 HG22 VAL B 17 -4.334 -4.831 4.409 1.00 0.80 H new ATOM 0 HG23 VAL B 17 -4.616 -5.112 2.674 1.00 0.80 H new ATOM 1898 N THR B 18 -4.500 -9.850 4.028 1.00 0.78 N ATOM 1899 CA THR B 18 -4.518 -11.159 4.663 1.00 0.86 C ATOM 1900 C THR B 18 -3.095 -11.727 4.786 1.00 0.81 C ATOM 1901 O THR B 18 -2.742 -12.257 5.841 1.00 0.84 O ATOM 1902 CB THR B 18 -5.537 -12.089 3.984 1.00 0.96 C ATOM 1903 OG1 THR B 18 -5.670 -13.291 4.716 1.00 1.07 O ATOM 1904 CG2 THR B 18 -5.172 -12.418 2.539 1.00 1.07 C ATOM 0 H THR B 18 -5.016 -9.801 3.149 1.00 0.78 H new ATOM 0 HA THR B 18 -4.872 -11.063 5.689 1.00 0.86 H new ATOM 0 HB THR B 18 -6.484 -11.549 3.969 1.00 0.96 H new ATOM 0 HG1 THR B 18 -6.323 -13.873 4.274 1.00 1.07 H new ATOM 0 HG21 THR B 18 -5.929 -13.078 2.114 1.00 1.07 H new ATOM 0 HG22 THR B 18 -5.125 -11.498 1.957 1.00 1.07 H new ATOM 0 HG23 THR B 18 -4.202 -12.914 2.513 1.00 1.07 H new ATOM 1912 N THR B 19 -2.237 -11.556 3.767 1.00 0.78 N ATOM 1913 CA THR B 19 -0.834 -11.946 3.875 1.00 0.78 C ATOM 1914 C THR B 19 -0.172 -11.229 5.061 1.00 0.78 C ATOM 1915 O THR B 19 0.376 -11.868 5.960 1.00 0.87 O ATOM 1916 CB THR B 19 -0.095 -11.697 2.551 1.00 0.77 C ATOM 1917 OG1 THR B 19 -0.749 -12.395 1.512 1.00 0.81 O ATOM 1918 CG2 THR B 19 1.344 -12.222 2.612 1.00 0.79 C ATOM 0 H THR B 19 -2.495 -11.152 2.867 1.00 0.78 H new ATOM 0 HA THR B 19 -0.776 -13.017 4.070 1.00 0.78 H new ATOM 0 HB THR B 19 -0.089 -10.622 2.373 1.00 0.77 H new ATOM 0 HG1 THR B 19 -1.600 -11.954 1.307 1.00 0.81 H new ATOM 0 HG21 THR B 19 1.841 -12.032 1.661 1.00 0.79 H new ATOM 0 HG22 THR B 19 1.883 -11.714 3.412 1.00 0.79 H new ATOM 0 HG23 THR B 19 1.332 -13.294 2.807 1.00 0.79 H new ATOM 1926 N PHE B 20 -0.259 -9.896 5.086 1.00 0.74 N ATOM 1927 CA PHE B 20 0.176 -9.076 6.209 1.00 0.81 C ATOM 1928 C PHE B 20 -0.328 -9.687 7.518 1.00 0.83 C ATOM 1929 O PHE B 20 0.466 -9.955 8.408 1.00 0.89 O ATOM 1930 CB PHE B 20 -0.289 -7.620 6.017 1.00 0.89 C ATOM 1931 CG PHE B 20 -0.544 -6.846 7.298 1.00 1.63 C ATOM 1932 CD1 PHE B 20 0.532 -6.310 8.025 1.00 2.44 C ATOM 1933 CD2 PHE B 20 -1.846 -6.777 7.830 1.00 2.99 C ATOM 1934 CE1 PHE B 20 0.311 -5.713 9.279 1.00 3.37 C ATOM 1935 CE2 PHE B 20 -2.057 -6.250 9.114 1.00 4.01 C ATOM 1936 CZ PHE B 20 -0.977 -5.716 9.835 1.00 3.91 C ATOM 0 H PHE B 20 -0.640 -9.352 4.312 1.00 0.74 H new ATOM 0 HA PHE B 20 1.265 -9.056 6.256 1.00 0.81 H new ATOM 0 HB2 PHE B 20 0.464 -7.089 5.435 1.00 0.89 H new ATOM 0 HB3 PHE B 20 -1.205 -7.623 5.426 1.00 0.89 H new ATOM 0 HD1 PHE B 20 1.532 -6.357 7.620 1.00 2.44 H new ATOM 0 HD2 PHE B 20 -2.685 -7.131 7.249 1.00 2.99 H new ATOM 0 HE1 PHE B 20 1.130 -5.254 9.812 1.00 3.37 H new ATOM 0 HE2 PHE B 20 -3.047 -6.255 9.546 1.00 4.01 H new ATOM 0 HZ PHE B 20 -1.138 -5.306 10.821 1.00 3.91 H new ATOM 1946 N PHE B 21 -1.630 -9.944 7.619 1.00 0.82 N ATOM 1947 CA PHE B 21 -2.301 -10.415 8.821 1.00 0.89 C ATOM 1948 C PHE B 21 -1.699 -11.746 9.293 1.00 0.95 C ATOM 1949 O PHE B 21 -1.291 -11.875 10.450 1.00 1.02 O ATOM 1950 CB PHE B 21 -3.811 -10.499 8.528 1.00 0.98 C ATOM 1951 CG PHE B 21 -4.753 -10.524 9.718 1.00 1.10 C ATOM 1952 CD1 PHE B 21 -4.770 -9.449 10.628 1.00 2.21 C ATOM 1953 CD2 PHE B 21 -5.749 -11.517 9.801 1.00 1.98 C ATOM 1954 CE1 PHE B 21 -5.755 -9.382 11.628 1.00 2.55 C ATOM 1955 CE2 PHE B 21 -6.734 -11.451 10.802 1.00 2.28 C ATOM 1956 CZ PHE B 21 -6.743 -10.378 11.712 1.00 2.03 C ATOM 0 H PHE B 21 -2.269 -9.824 6.833 1.00 0.82 H new ATOM 0 HA PHE B 21 -2.153 -9.719 9.647 1.00 0.89 H new ATOM 0 HB2 PHE B 21 -4.081 -9.648 7.903 1.00 0.98 H new ATOM 0 HB3 PHE B 21 -3.990 -11.398 7.938 1.00 0.98 H new ATOM 0 HD1 PHE B 21 -4.023 -8.673 10.557 1.00 2.21 H new ATOM 0 HD2 PHE B 21 -5.756 -12.332 9.093 1.00 1.98 H new ATOM 0 HE1 PHE B 21 -5.753 -8.564 12.333 1.00 2.55 H new ATOM 0 HE2 PHE B 21 -7.484 -12.225 10.872 1.00 2.28 H new ATOM 0 HZ PHE B 21 -7.507 -10.320 12.473 1.00 2.03 H new ATOM 1966 N THR B 22 -1.611 -12.737 8.397 1.00 0.98 N ATOM 1967 CA THR B 22 -1.105 -14.055 8.760 1.00 1.08 C ATOM 1968 C THR B 22 0.381 -14.008 9.134 1.00 1.01 C ATOM 1969 O THR B 22 0.819 -14.829 9.930 1.00 1.09 O ATOM 1970 CB THR B 22 -1.460 -15.129 7.711 1.00 1.22 C ATOM 1971 OG1 THR B 22 -1.347 -16.435 8.257 1.00 2.63 O ATOM 1972 CG2 THR B 22 -0.597 -15.058 6.453 1.00 2.10 C ATOM 0 H THR B 22 -1.885 -12.646 7.419 1.00 0.98 H new ATOM 0 HA THR B 22 -1.623 -14.370 9.666 1.00 1.08 H new ATOM 0 HB THR B 22 -2.491 -14.920 7.427 1.00 1.22 H new ATOM 0 HG1 THR B 22 -1.579 -17.097 7.572 1.00 2.63 H new ATOM 0 HG21 THR B 22 -0.901 -15.841 5.759 1.00 2.10 H new ATOM 0 HG22 THR B 22 -0.723 -14.084 5.979 1.00 2.10 H new ATOM 0 HG23 THR B 22 0.450 -15.197 6.722 1.00 2.10 H new ATOM 1980 N PHE B 23 1.169 -13.055 8.626 1.00 1.00 N ATOM 1981 CA PHE B 23 2.516 -12.845 9.163 1.00 1.02 C ATOM 1982 C PHE B 23 2.481 -12.025 10.458 1.00 1.02 C ATOM 1983 O PHE B 23 3.239 -12.275 11.386 1.00 1.20 O ATOM 1984 CB PHE B 23 3.438 -12.219 8.113 1.00 1.05 C ATOM 1985 CG PHE B 23 4.017 -13.227 7.136 1.00 1.01 C ATOM 1986 CD1 PHE B 23 3.247 -13.688 6.053 1.00 2.19 C ATOM 1987 CD2 PHE B 23 5.304 -13.760 7.351 1.00 2.21 C ATOM 1988 CE1 PHE B 23 3.769 -14.645 5.167 1.00 2.76 C ATOM 1989 CE2 PHE B 23 5.826 -14.719 6.466 1.00 2.61 C ATOM 1990 CZ PHE B 23 5.065 -15.149 5.365 1.00 2.41 C ATOM 0 H PHE B 23 0.906 -12.431 7.863 1.00 1.00 H new ATOM 0 HA PHE B 23 2.931 -13.821 9.416 1.00 1.02 H new ATOM 0 HB2 PHE B 23 2.882 -11.464 7.557 1.00 1.05 H new ATOM 0 HB3 PHE B 23 4.255 -11.705 8.619 1.00 1.05 H new ATOM 0 HD1 PHE B 23 2.249 -13.304 5.902 1.00 2.19 H new ATOM 0 HD2 PHE B 23 5.890 -13.431 8.197 1.00 2.21 H new ATOM 0 HE1 PHE B 23 3.175 -14.993 4.335 1.00 2.76 H new ATOM 0 HE2 PHE B 23 6.813 -15.126 6.632 1.00 2.61 H new ATOM 0 HZ PHE B 23 5.477 -15.867 4.671 1.00 2.41 H new ATOM 2000 N ALA B 24 1.591 -11.046 10.552 1.00 0.91 N ATOM 2001 CA ALA B 24 1.519 -10.107 11.654 1.00 0.99 C ATOM 2002 C ALA B 24 1.221 -10.846 12.944 1.00 1.10 C ATOM 2003 O ALA B 24 1.656 -10.414 14.008 1.00 1.18 O ATOM 2004 CB ALA B 24 0.460 -9.031 11.389 1.00 1.00 C ATOM 0 H ALA B 24 0.879 -10.882 9.840 1.00 0.91 H new ATOM 0 HA ALA B 24 2.484 -9.608 11.749 1.00 0.99 H new ATOM 0 HB1 ALA B 24 0.426 -8.339 12.231 1.00 1.00 H new ATOM 0 HB2 ALA B 24 0.715 -8.485 10.481 1.00 1.00 H new ATOM 0 HB3 ALA B 24 -0.515 -9.502 11.267 1.00 1.00 H new ATOM 2010 N ARG B 25 0.465 -11.941 12.871 1.00 1.15 N ATOM 2011 CA ARG B 25 0.134 -12.742 14.043 1.00 1.34 C ATOM 2012 C ARG B 25 1.349 -13.391 14.697 1.00 1.29 C ATOM 2013 O ARG B 25 1.212 -13.828 15.836 1.00 1.41 O ATOM 2014 CB ARG B 25 -0.946 -13.775 13.695 1.00 1.44 C ATOM 2015 CG ARG B 25 -0.430 -14.820 12.706 1.00 1.69 C ATOM 2016 CD ARG B 25 -0.071 -16.167 13.350 1.00 1.85 C ATOM 2017 NE ARG B 25 0.843 -16.924 12.477 1.00 2.31 N ATOM 2018 CZ ARG B 25 0.584 -17.294 11.214 1.00 3.36 C ATOM 2019 NH1 ARG B 25 -0.668 -17.268 10.745 1.00 4.07 N ATOM 2020 NH2 ARG B 25 1.601 -17.645 10.427 1.00 4.32 N ATOM 0 H ARG B 25 0.068 -12.294 12.001 1.00 1.15 H new ATOM 0 HA ARG B 25 -0.264 -12.058 14.792 1.00 1.34 H new ATOM 0 HB2 ARG B 25 -1.283 -14.271 14.606 1.00 1.44 H new ATOM 0 HB3 ARG B 25 -1.812 -13.267 13.270 1.00 1.44 H new ATOM 0 HG2 ARG B 25 -1.188 -14.986 11.940 1.00 1.69 H new ATOM 0 HG3 ARG B 25 0.451 -14.424 12.202 1.00 1.69 H new ATOM 0 HD2 ARG B 25 0.397 -16.001 14.320 1.00 1.85 H new ATOM 0 HD3 ARG B 25 -0.977 -16.746 13.528 1.00 1.85 H new ATOM 0 HE ARG B 25 1.748 -17.189 12.865 1.00 2.31 H new ATOM 0 HH11 ARG B 25 -1.433 -16.966 11.349 1.00 4.07 H new ATOM 0 HH12 ARG B 25 -0.858 -17.551 9.784 1.00 4.07 H new ATOM 0 HH21 ARG B 25 2.555 -17.629 10.788 1.00 4.32 H new ATOM 0 HH22 ARG B 25 1.426 -17.930 9.463 1.00 4.32 H new ATOM 2034 N GLN B 26 2.480 -13.529 13.992 1.00 1.17 N ATOM 2035 CA GLN B 26 3.474 -14.511 14.383 1.00 1.16 C ATOM 2036 C GLN B 26 3.900 -14.458 15.859 1.00 1.28 C ATOM 2037 O GLN B 26 3.731 -15.456 16.558 1.00 1.36 O ATOM 2038 CB GLN B 26 4.704 -14.317 13.490 1.00 1.05 C ATOM 2039 CG GLN B 26 5.411 -15.575 13.042 1.00 1.11 C ATOM 2040 CD GLN B 26 4.688 -16.355 11.942 1.00 1.24 C ATOM 2041 OE1 GLN B 26 3.512 -16.701 12.059 1.00 1.66 O ATOM 2042 NE2 GLN B 26 5.375 -16.660 10.850 1.00 1.69 N ATOM 0 H GLN B 26 2.718 -12.980 13.166 1.00 1.17 H new ATOM 0 HA GLN B 26 3.013 -15.490 14.257 1.00 1.16 H new ATOM 0 HB2 GLN B 26 4.399 -13.762 12.603 1.00 1.05 H new ATOM 0 HB3 GLN B 26 5.421 -13.694 14.025 1.00 1.05 H new ATOM 0 HG2 GLN B 26 6.407 -15.309 12.686 1.00 1.11 H new ATOM 0 HG3 GLN B 26 5.544 -16.228 13.905 1.00 1.11 H new ATOM 0 HE21 GLN B 26 6.349 -16.369 10.762 1.00 1.69 H new ATOM 0 HE22 GLN B 26 4.930 -17.186 10.098 1.00 1.69 H new ATOM 2051 N GLU B 27 4.537 -13.364 16.298 1.00 1.32 N ATOM 2052 CA GLU B 27 5.150 -13.365 17.624 1.00 1.37 C ATOM 2053 C GLU B 27 4.199 -12.857 18.712 1.00 1.45 C ATOM 2054 O GLU B 27 3.579 -13.629 19.439 1.00 1.34 O ATOM 2055 CB GLU B 27 6.429 -12.504 17.564 1.00 1.50 C ATOM 2056 CG GLU B 27 7.582 -13.138 16.771 1.00 1.66 C ATOM 2057 CD GLU B 27 8.774 -12.180 16.699 1.00 2.19 C ATOM 2058 OE1 GLU B 27 8.542 -11.002 16.344 1.00 2.83 O ATOM 2059 OE2 GLU B 27 9.891 -12.619 17.046 1.00 2.62 O ATOM 0 H GLU B 27 4.638 -12.496 15.772 1.00 1.32 H new ATOM 0 HA GLU B 27 5.394 -14.392 17.896 1.00 1.37 H new ATOM 0 HB2 GLU B 27 6.183 -11.540 17.118 1.00 1.50 H new ATOM 0 HB3 GLU B 27 6.768 -12.307 18.581 1.00 1.50 H new ATOM 0 HG2 GLU B 27 7.886 -14.072 17.244 1.00 1.66 H new ATOM 0 HG3 GLU B 27 7.246 -13.386 15.764 1.00 1.66 H new ATOM 2066 N GLY B 28 4.032 -11.531 18.770 1.00 1.89 N ATOM 2067 CA GLY B 28 2.924 -10.800 19.354 1.00 2.04 C ATOM 2068 C GLY B 28 1.873 -10.500 18.298 1.00 1.54 C ATOM 2069 O GLY B 28 2.255 -10.279 17.150 1.00 1.55 O ATOM 0 H GLY B 28 4.729 -10.900 18.376 1.00 1.89 H new ATOM 0 HA2 GLY B 28 2.481 -11.382 20.162 1.00 2.04 H new ATOM 0 HA3 GLY B 28 3.284 -9.869 19.792 1.00 2.04 H new ATOM 2073 N ARG B 29 0.623 -10.272 18.708 1.00 1.52 N ATOM 2074 CA ARG B 29 -0.265 -9.276 18.104 1.00 1.44 C ATOM 2075 C ARG B 29 -0.354 -9.303 16.571 1.00 1.28 C ATOM 2076 O ARG B 29 0.528 -8.772 15.872 1.00 1.21 O ATOM 2077 CB ARG B 29 0.124 -7.880 18.593 1.00 1.57 C ATOM 2078 CG ARG B 29 -0.085 -7.733 20.100 1.00 1.79 C ATOM 2079 CD ARG B 29 0.155 -6.273 20.479 1.00 2.07 C ATOM 2080 NE ARG B 29 -0.301 -5.999 21.843 1.00 2.66 N ATOM 2081 CZ ARG B 29 -0.437 -4.760 22.327 1.00 3.08 C ATOM 2082 NH1 ARG B 29 0.087 -3.717 21.660 1.00 3.69 N ATOM 2083 NH2 ARG B 29 -1.116 -4.588 23.473 1.00 3.71 N ATOM 0 H ARG B 29 0.193 -10.781 19.480 1.00 1.52 H new ATOM 0 HA ARG B 29 -1.268 -9.545 18.436 1.00 1.44 H new ATOM 0 HB2 ARG B 29 1.169 -7.687 18.349 1.00 1.57 H new ATOM 0 HB3 ARG B 29 -0.470 -7.131 18.068 1.00 1.57 H new ATOM 0 HG2 ARG B 29 -1.096 -8.035 20.374 1.00 1.79 H new ATOM 0 HG3 ARG B 29 0.600 -8.384 20.643 1.00 1.79 H new ATOM 0 HD2 ARG B 29 1.217 -6.042 20.394 1.00 2.07 H new ATOM 0 HD3 ARG B 29 -0.369 -5.622 19.780 1.00 2.07 H new ATOM 0 HE ARG B 29 -0.525 -6.787 22.450 1.00 2.66 H new ATOM 0 HH11 ARG B 29 0.588 -3.871 20.785 1.00 3.69 H new ATOM 0 HH12 ARG B 29 -0.017 -2.772 22.029 1.00 3.69 H new ATOM 0 HH21 ARG B 29 -1.515 -5.393 23.955 1.00 3.71 H new ATOM 0 HH22 ARG B 29 -1.233 -3.652 23.861 1.00 3.71 H new ATOM 2097 N LYS B 30 -1.445 -9.898 16.074 1.00 1.32 N ATOM 2098 CA LYS B 30 -1.884 -9.959 14.681 1.00 1.27 C ATOM 2099 C LYS B 30 -2.308 -8.586 14.149 1.00 1.28 C ATOM 2100 O LYS B 30 -3.420 -8.387 13.663 1.00 1.77 O ATOM 2101 CB LYS B 30 -3.017 -10.994 14.585 1.00 1.43 C ATOM 2102 CG LYS B 30 -4.268 -10.581 15.386 1.00 1.69 C ATOM 2103 CD LYS B 30 -4.808 -11.756 16.212 1.00 2.11 C ATOM 2104 CE LYS B 30 -6.005 -11.303 17.059 1.00 2.82 C ATOM 2105 NZ LYS B 30 -6.510 -12.383 17.934 1.00 3.55 N ATOM 0 H LYS B 30 -2.094 -10.388 16.689 1.00 1.32 H new ATOM 0 HA LYS B 30 -1.052 -10.268 14.048 1.00 1.27 H new ATOM 0 HB2 LYS B 30 -3.290 -11.133 13.539 1.00 1.43 H new ATOM 0 HB3 LYS B 30 -2.657 -11.956 14.951 1.00 1.43 H new ATOM 0 HG2 LYS B 30 -4.022 -9.750 16.047 1.00 1.69 H new ATOM 0 HG3 LYS B 30 -5.040 -10.227 14.703 1.00 1.69 H new ATOM 0 HD2 LYS B 30 -5.108 -12.568 15.550 1.00 2.11 H new ATOM 0 HD3 LYS B 30 -4.022 -12.147 16.859 1.00 2.11 H new ATOM 0 HE2 LYS B 30 -5.713 -10.449 17.670 1.00 2.82 H new ATOM 0 HE3 LYS B 30 -6.806 -10.966 16.402 1.00 2.82 H new ATOM 0 HZ1 LYS B 30 -7.318 -12.032 18.487 1.00 3.55 H new ATOM 0 HZ2 LYS B 30 -6.813 -13.189 17.351 1.00 3.55 H new ATOM 0 HZ3 LYS B 30 -5.754 -12.688 18.580 1.00 3.55 H new ATOM 2119 N ASP B 31 -1.379 -7.648 14.268 1.00 1.34 N ATOM 2120 CA ASP B 31 -1.599 -6.213 14.286 1.00 1.37 C ATOM 2121 C ASP B 31 -0.300 -5.553 13.835 1.00 1.27 C ATOM 2122 O ASP B 31 -0.291 -4.682 12.971 1.00 1.51 O ATOM 2123 CB ASP B 31 -1.933 -5.748 15.716 1.00 1.72 C ATOM 2124 CG ASP B 31 -3.142 -6.447 16.323 1.00 2.27 C ATOM 2125 OD1 ASP B 31 -4.256 -5.914 16.134 1.00 2.92 O ATOM 2126 OD2 ASP B 31 -2.926 -7.499 16.968 1.00 3.51 O ATOM 0 H ASP B 31 -0.391 -7.886 14.360 1.00 1.34 H new ATOM 0 HA ASP B 31 -2.429 -5.945 13.632 1.00 1.37 H new ATOM 0 HB2 ASP B 31 -1.067 -5.919 16.355 1.00 1.72 H new ATOM 0 HB3 ASP B 31 -2.114 -4.673 15.706 1.00 1.72 H new ATOM 2131 N SER B 32 0.801 -5.989 14.452 1.00 1.20 N ATOM 2132 CA SER B 32 2.144 -5.521 14.202 1.00 1.24 C ATOM 2133 C SER B 32 2.899 -6.477 13.293 1.00 1.35 C ATOM 2134 O SER B 32 2.741 -7.690 13.463 1.00 1.45 O ATOM 2135 CB SER B 32 2.837 -5.523 15.558 1.00 1.52 C ATOM 2136 OG SER B 32 2.762 -6.794 16.208 1.00 2.22 O ATOM 0 H SER B 32 0.766 -6.712 15.171 1.00 1.20 H new ATOM 0 HA SER B 32 2.122 -4.542 13.724 1.00 1.24 H new ATOM 0 HB2 SER B 32 3.883 -5.246 15.428 1.00 1.52 H new ATOM 0 HB3 SER B 32 2.383 -4.765 16.196 1.00 1.52 H new ATOM 0 HG SER B 32 2.706 -6.663 17.178 1.00 2.22 H new ATOM 2142 N LEU B 33 3.827 -5.962 12.486 1.00 1.40 N ATOM 2143 CA LEU B 33 5.093 -6.657 12.290 1.00 1.29 C ATOM 2144 C LEU B 33 6.084 -6.086 13.307 1.00 1.22 C ATOM 2145 O LEU B 33 6.391 -4.899 13.291 1.00 1.67 O ATOM 2146 CB LEU B 33 5.636 -6.550 10.857 1.00 1.35 C ATOM 2147 CG LEU B 33 4.957 -7.456 9.819 1.00 1.54 C ATOM 2148 CD1 LEU B 33 5.131 -8.949 10.108 1.00 2.26 C ATOM 2149 CD2 LEU B 33 3.478 -7.114 9.663 1.00 1.61 C ATOM 0 H LEU B 33 3.728 -5.088 11.970 1.00 1.40 H new ATOM 0 HA LEU B 33 4.939 -7.725 12.445 1.00 1.29 H new ATOM 0 HB2 LEU B 33 5.540 -5.515 10.528 1.00 1.35 H new ATOM 0 HB3 LEU B 33 6.701 -6.782 10.873 1.00 1.35 H new ATOM 0 HG LEU B 33 5.468 -7.257 8.877 1.00 1.54 H new ATOM 0 HD11 LEU B 33 4.627 -9.530 9.336 1.00 2.26 H new ATOM 0 HD12 LEU B 33 6.192 -9.197 10.114 1.00 2.26 H new ATOM 0 HD13 LEU B 33 4.698 -9.184 11.080 1.00 2.26 H new ATOM 0 HD21 LEU B 33 3.028 -7.774 8.921 1.00 1.61 H new ATOM 0 HD22 LEU B 33 2.972 -7.245 10.619 1.00 1.61 H new ATOM 0 HD23 LEU B 33 3.376 -6.079 9.337 1.00 1.61 H new ATOM 2161 N SER B 34 6.560 -6.941 14.202 1.00 1.09 N ATOM 2162 CA SER B 34 7.753 -6.757 15.010 1.00 1.10 C ATOM 2163 C SER B 34 8.964 -7.171 14.190 1.00 1.02 C ATOM 2164 O SER B 34 8.855 -7.441 12.997 1.00 1.26 O ATOM 2165 CB SER B 34 7.656 -7.458 16.367 1.00 1.42 C ATOM 2166 OG SER B 34 8.599 -6.848 17.234 1.00 2.52 O ATOM 0 H SER B 34 6.097 -7.830 14.392 1.00 1.09 H new ATOM 0 HA SER B 34 7.861 -5.703 15.267 1.00 1.10 H new ATOM 0 HB2 SER B 34 6.648 -7.368 16.773 1.00 1.42 H new ATOM 0 HB3 SER B 34 7.864 -8.523 16.263 1.00 1.42 H new ATOM 0 HG SER B 34 8.559 -7.276 18.115 1.00 2.52 H new ATOM 2172 N VAL B 35 10.108 -7.241 14.861 1.00 0.93 N ATOM 2173 CA VAL B 35 11.476 -7.346 14.378 1.00 1.11 C ATOM 2174 C VAL B 35 11.480 -8.706 13.695 1.00 1.36 C ATOM 2175 O VAL B 35 11.179 -8.746 12.497 1.00 2.68 O ATOM 2176 CB VAL B 35 12.537 -7.175 15.484 1.00 1.35 C ATOM 2177 CG1 VAL B 35 12.920 -5.699 15.627 1.00 2.28 C ATOM 2178 CG2 VAL B 35 12.102 -7.707 16.855 1.00 3.16 C ATOM 0 H VAL B 35 10.094 -7.223 15.881 1.00 0.93 H new ATOM 0 HA VAL B 35 11.759 -6.542 13.699 1.00 1.11 H new ATOM 0 HB VAL B 35 13.390 -7.773 15.165 1.00 1.35 H new ATOM 0 HG11 VAL B 35 13.670 -5.592 16.411 1.00 2.28 H new ATOM 0 HG12 VAL B 35 13.327 -5.336 14.683 1.00 2.28 H new ATOM 0 HG13 VAL B 35 12.036 -5.117 15.888 1.00 2.28 H new ATOM 0 HG21 VAL B 35 12.903 -7.549 17.577 1.00 3.16 H new ATOM 0 HG22 VAL B 35 11.208 -7.178 17.184 1.00 3.16 H new ATOM 0 HG23 VAL B 35 11.886 -8.773 16.780 1.00 3.16 H new ATOM 2188 N ASN B 36 12.037 -9.776 14.254 1.00 1.49 N ATOM 2189 CA ASN B 36 12.039 -11.047 13.521 1.00 1.46 C ATOM 2190 C ASN B 36 10.640 -11.716 13.542 1.00 1.35 C ATOM 2191 O ASN B 36 10.480 -12.905 13.804 1.00 1.74 O ATOM 2192 CB ASN B 36 13.077 -11.961 14.171 1.00 1.91 C ATOM 2193 CG ASN B 36 13.568 -13.040 13.211 1.00 2.21 C ATOM 2194 OD1 ASN B 36 14.677 -12.922 12.690 1.00 2.76 O ATOM 2195 ND2 ASN B 36 12.764 -14.058 12.937 1.00 2.20 N ATOM 0 H ASN B 36 12.477 -9.797 15.174 1.00 1.49 H new ATOM 0 HA ASN B 36 12.289 -10.865 12.476 1.00 1.46 H new ATOM 0 HB2 ASN B 36 13.924 -11.364 14.510 1.00 1.91 H new ATOM 0 HB3 ASN B 36 12.644 -12.431 15.054 1.00 1.91 H new ATOM 0 HD21 ASN B 36 13.058 -14.776 12.275 1.00 2.20 H new ATOM 0 HD22 ASN B 36 11.852 -14.123 13.388 1.00 2.20 H new ATOM 2202 N GLU B 37 9.675 -10.929 13.068 1.00 1.21 N ATOM 2203 CA GLU B 37 8.362 -11.205 12.524 1.00 1.18 C ATOM 2204 C GLU B 37 8.459 -10.718 11.078 1.00 0.94 C ATOM 2205 O GLU B 37 8.294 -11.479 10.126 1.00 1.09 O ATOM 2206 CB GLU B 37 7.318 -10.363 13.287 1.00 1.32 C ATOM 2207 CG GLU B 37 6.078 -11.182 13.622 1.00 1.07 C ATOM 2208 CD GLU B 37 5.074 -10.393 14.455 1.00 1.19 C ATOM 2209 OE1 GLU B 37 5.047 -9.143 14.461 1.00 2.00 O ATOM 2210 OE2 GLU B 37 4.176 -10.964 15.103 1.00 1.36 O ATOM 0 H GLU B 37 9.834 -9.922 13.061 1.00 1.21 H new ATOM 0 HA GLU B 37 8.070 -12.253 12.599 1.00 1.18 H new ATOM 0 HB2 GLU B 37 7.760 -9.978 14.206 1.00 1.32 H new ATOM 0 HB3 GLU B 37 7.034 -9.500 12.684 1.00 1.32 H new ATOM 0 HG2 GLU B 37 5.602 -11.511 12.698 1.00 1.07 H new ATOM 0 HG3 GLU B 37 6.373 -12.079 14.166 1.00 1.07 H new ATOM 2217 N PHE B 38 8.810 -9.433 10.924 1.00 0.75 N ATOM 2218 CA PHE B 38 9.082 -8.820 9.637 1.00 0.69 C ATOM 2219 C PHE B 38 10.111 -9.658 8.890 1.00 0.70 C ATOM 2220 O PHE B 38 9.899 -9.987 7.722 1.00 0.79 O ATOM 2221 CB PHE B 38 9.584 -7.381 9.820 1.00 0.81 C ATOM 2222 CG PHE B 38 9.092 -6.405 8.776 1.00 0.75 C ATOM 2223 CD1 PHE B 38 9.234 -6.686 7.406 1.00 2.33 C ATOM 2224 CD2 PHE B 38 8.406 -5.249 9.186 1.00 1.75 C ATOM 2225 CE1 PHE B 38 8.625 -5.854 6.456 1.00 2.45 C ATOM 2226 CE2 PHE B 38 7.805 -4.411 8.235 1.00 1.99 C ATOM 2227 CZ PHE B 38 7.880 -4.738 6.874 1.00 1.44 C ATOM 0 H PHE B 38 8.912 -8.789 11.709 1.00 0.75 H new ATOM 0 HA PHE B 38 8.161 -8.780 9.055 1.00 0.69 H new ATOM 0 HB2 PHE B 38 9.277 -7.026 10.804 1.00 0.81 H new ATOM 0 HB3 PHE B 38 10.674 -7.386 9.808 1.00 0.81 H new ATOM 0 HD1 PHE B 38 9.811 -7.541 7.086 1.00 2.33 H new ATOM 0 HD2 PHE B 38 8.341 -5.005 10.236 1.00 1.75 H new ATOM 0 HE1 PHE B 38 8.728 -6.071 5.403 1.00 2.45 H new ATOM 0 HE2 PHE B 38 7.287 -3.518 8.550 1.00 1.99 H new ATOM 0 HZ PHE B 38 7.364 -4.131 6.145 1.00 1.44 H new ATOM 2237 N LYS B 39 11.213 -10.019 9.564 1.00 0.67 N ATOM 2238 CA LYS B 39 12.264 -10.789 8.911 1.00 0.79 C ATOM 2239 C LYS B 39 11.691 -12.023 8.215 1.00 0.78 C ATOM 2240 O LYS B 39 12.056 -12.300 7.074 1.00 0.83 O ATOM 2241 CB LYS B 39 13.453 -11.116 9.828 1.00 0.88 C ATOM 2242 CG LYS B 39 14.680 -11.417 8.940 1.00 0.93 C ATOM 2243 CD LYS B 39 15.885 -12.062 9.641 1.00 1.61 C ATOM 2244 CE LYS B 39 16.713 -11.112 10.518 1.00 2.25 C ATOM 2245 NZ LYS B 39 16.035 -10.787 11.786 1.00 3.72 N ATOM 0 H LYS B 39 11.392 -9.792 10.542 1.00 0.67 H new ATOM 0 HA LYS B 39 12.686 -10.145 8.139 1.00 0.79 H new ATOM 0 HB2 LYS B 39 13.662 -10.278 10.493 1.00 0.88 H new ATOM 0 HB3 LYS B 39 13.221 -11.974 10.459 1.00 0.88 H new ATOM 0 HG2 LYS B 39 14.363 -12.074 8.130 1.00 0.93 H new ATOM 0 HG3 LYS B 39 15.009 -10.484 8.483 1.00 0.93 H new ATOM 0 HD2 LYS B 39 15.528 -12.885 10.260 1.00 1.61 H new ATOM 0 HD3 LYS B 39 16.538 -12.494 8.883 1.00 1.61 H new ATOM 0 HE2 LYS B 39 17.679 -11.568 10.732 1.00 2.25 H new ATOM 0 HE3 LYS B 39 16.910 -10.192 9.968 1.00 2.25 H new ATOM 0 HZ1 LYS B 39 16.737 -10.738 12.552 1.00 3.72 H new ATOM 0 HZ2 LYS B 39 15.554 -9.869 11.697 1.00 3.72 H new ATOM 0 HZ3 LYS B 39 15.335 -11.525 12.004 1.00 3.72 H new ATOM 2259 N GLU B 40 10.763 -12.733 8.858 1.00 0.76 N ATOM 2260 CA GLU B 40 10.133 -13.884 8.242 1.00 0.79 C ATOM 2261 C GLU B 40 9.415 -13.511 6.944 1.00 0.78 C ATOM 2262 O GLU B 40 9.472 -14.272 5.983 1.00 0.80 O ATOM 2263 CB GLU B 40 9.207 -14.590 9.236 1.00 0.88 C ATOM 2264 CG GLU B 40 10.029 -15.149 10.406 1.00 1.02 C ATOM 2265 CD GLU B 40 9.222 -16.118 11.257 1.00 1.89 C ATOM 2266 OE1 GLU B 40 8.002 -16.221 11.001 1.00 2.81 O ATOM 2267 OE2 GLU B 40 9.847 -16.754 12.129 1.00 2.91 O ATOM 0 H GLU B 40 10.437 -12.526 9.802 1.00 0.76 H new ATOM 0 HA GLU B 40 10.916 -14.590 7.966 1.00 0.79 H new ATOM 0 HB2 GLU B 40 8.457 -13.892 9.607 1.00 0.88 H new ATOM 0 HB3 GLU B 40 8.671 -15.398 8.737 1.00 0.88 H new ATOM 0 HG2 GLU B 40 10.913 -15.656 10.019 1.00 1.02 H new ATOM 0 HG3 GLU B 40 10.381 -14.326 11.028 1.00 1.02 H new ATOM 2274 N LEU B 41 8.771 -12.346 6.875 1.00 0.80 N ATOM 2275 CA LEU B 41 8.061 -11.931 5.675 1.00 0.80 C ATOM 2276 C LEU B 41 9.064 -11.639 4.560 1.00 0.74 C ATOM 2277 O LEU B 41 8.913 -12.149 3.448 1.00 0.74 O ATOM 2278 CB LEU B 41 7.140 -10.743 5.998 1.00 0.93 C ATOM 2279 CG LEU B 41 6.306 -10.273 4.789 1.00 0.85 C ATOM 2280 CD1 LEU B 41 4.860 -9.997 5.212 1.00 1.98 C ATOM 2281 CD2 LEU B 41 6.907 -9.000 4.184 1.00 1.60 C ATOM 0 H LEU B 41 8.729 -11.674 7.641 1.00 0.80 H new ATOM 0 HA LEU B 41 7.417 -12.733 5.314 1.00 0.80 H new ATOM 0 HB2 LEU B 41 6.467 -11.024 6.808 1.00 0.93 H new ATOM 0 HB3 LEU B 41 7.744 -9.911 6.359 1.00 0.93 H new ATOM 0 HG LEU B 41 6.318 -11.066 4.042 1.00 0.85 H new ATOM 0 HD11 LEU B 41 4.285 -9.666 4.347 1.00 1.98 H new ATOM 0 HD12 LEU B 41 4.418 -10.909 5.614 1.00 1.98 H new ATOM 0 HD13 LEU B 41 4.846 -9.219 5.976 1.00 1.98 H new ATOM 0 HD21 LEU B 41 6.305 -8.683 3.332 1.00 1.60 H new ATOM 0 HD22 LEU B 41 6.917 -8.210 4.935 1.00 1.60 H new ATOM 0 HD23 LEU B 41 7.926 -9.200 3.854 1.00 1.60 H new ATOM 2293 N VAL B 42 10.104 -10.849 4.860 1.00 0.72 N ATOM 2294 CA VAL B 42 11.071 -10.434 3.844 1.00 0.70 C ATOM 2295 C VAL B 42 11.860 -11.642 3.349 1.00 0.66 C ATOM 2296 O VAL B 42 12.109 -11.786 2.155 1.00 0.67 O ATOM 2297 CB VAL B 42 11.968 -9.266 4.308 1.00 0.68 C ATOM 2298 CG1 VAL B 42 11.219 -7.936 4.168 1.00 0.65 C ATOM 2299 CG2 VAL B 42 12.543 -9.384 5.710 1.00 0.69 C ATOM 0 H VAL B 42 10.294 -10.488 5.795 1.00 0.72 H new ATOM 0 HA VAL B 42 10.518 -10.030 2.996 1.00 0.70 H new ATOM 0 HB VAL B 42 12.832 -9.308 3.645 1.00 0.68 H new ATOM 0 HG11 VAL B 42 11.862 -7.120 4.498 1.00 0.65 H new ATOM 0 HG12 VAL B 42 10.944 -7.782 3.125 1.00 0.65 H new ATOM 0 HG13 VAL B 42 10.318 -7.959 4.781 1.00 0.65 H new ATOM 0 HG21 VAL B 42 13.155 -8.509 5.927 1.00 0.69 H new ATOM 0 HG22 VAL B 42 11.730 -9.446 6.433 1.00 0.69 H new ATOM 0 HG23 VAL B 42 13.157 -10.282 5.777 1.00 0.69 H new ATOM 2309 N THR B 43 12.210 -12.536 4.268 1.00 0.68 N ATOM 2310 CA THR B 43 12.866 -13.790 3.954 1.00 0.72 C ATOM 2311 C THR B 43 11.958 -14.677 3.096 1.00 0.76 C ATOM 2312 O THR B 43 12.365 -15.141 2.034 1.00 0.84 O ATOM 2313 CB THR B 43 13.226 -14.466 5.282 1.00 0.77 C ATOM 2314 OG1 THR B 43 14.121 -13.635 5.989 1.00 0.80 O ATOM 2315 CG2 THR B 43 13.885 -15.835 5.098 1.00 0.89 C ATOM 0 H THR B 43 12.041 -12.403 5.265 1.00 0.68 H new ATOM 0 HA THR B 43 13.770 -13.617 3.371 1.00 0.72 H new ATOM 0 HB THR B 43 12.294 -14.618 5.827 1.00 0.77 H new ATOM 0 HG1 THR B 43 13.621 -12.918 6.432 1.00 0.80 H new ATOM 0 HG21 THR B 43 14.116 -16.262 6.074 1.00 0.89 H new ATOM 0 HG22 THR B 43 13.204 -16.498 4.564 1.00 0.89 H new ATOM 0 HG23 THR B 43 14.805 -15.722 4.525 1.00 0.89 H new ATOM 2323 N GLN B 44 10.752 -14.971 3.589 1.00 0.77 N ATOM 2324 CA GLN B 44 9.923 -16.040 3.055 1.00 0.85 C ATOM 2325 C GLN B 44 9.183 -15.601 1.790 1.00 0.97 C ATOM 2326 O GLN B 44 9.267 -16.262 0.760 1.00 1.06 O ATOM 2327 CB GLN B 44 8.950 -16.503 4.150 1.00 0.88 C ATOM 2328 CG GLN B 44 8.241 -17.814 3.790 1.00 1.01 C ATOM 2329 CD GLN B 44 7.106 -18.117 4.763 1.00 1.16 C ATOM 2330 OE1 GLN B 44 6.005 -18.466 4.353 1.00 1.78 O ATOM 2331 NE2 GLN B 44 7.341 -17.946 6.060 1.00 1.53 N ATOM 0 H GLN B 44 10.328 -14.471 4.370 1.00 0.77 H new ATOM 0 HA GLN B 44 10.558 -16.876 2.761 1.00 0.85 H new ATOM 0 HB2 GLN B 44 9.495 -16.634 5.085 1.00 0.88 H new ATOM 0 HB3 GLN B 44 8.205 -15.726 4.322 1.00 0.88 H new ATOM 0 HG2 GLN B 44 7.846 -17.749 2.776 1.00 1.01 H new ATOM 0 HG3 GLN B 44 8.960 -18.633 3.800 1.00 1.01 H new ATOM 0 HE21 GLN B 44 8.266 -17.655 6.377 1.00 1.53 H new ATOM 0 HE22 GLN B 44 6.596 -18.106 6.739 1.00 1.53 H new ATOM 2340 N GLN B 45 8.392 -14.531 1.894 1.00 1.01 N ATOM 2341 CA GLN B 45 7.386 -14.208 0.889 1.00 1.18 C ATOM 2342 C GLN B 45 8.003 -13.529 -0.336 1.00 1.20 C ATOM 2343 O GLN B 45 7.662 -13.861 -1.469 1.00 1.36 O ATOM 2344 CB GLN B 45 6.284 -13.334 1.518 1.00 1.28 C ATOM 2345 CG GLN B 45 4.967 -14.096 1.741 1.00 1.65 C ATOM 2346 CD GLN B 45 4.207 -14.402 0.448 1.00 1.93 C ATOM 2347 OE1 GLN B 45 4.723 -14.197 -0.646 1.00 3.10 O ATOM 2348 NE2 GLN B 45 2.973 -14.882 0.576 1.00 2.41 N ATOM 0 H GLN B 45 8.432 -13.872 2.671 1.00 1.01 H new ATOM 0 HA GLN B 45 6.940 -15.139 0.539 1.00 1.18 H new ATOM 0 HB2 GLN B 45 6.638 -12.944 2.472 1.00 1.28 H new ATOM 0 HB3 GLN B 45 6.096 -12.476 0.873 1.00 1.28 H new ATOM 0 HG2 GLN B 45 5.182 -15.032 2.256 1.00 1.65 H new ATOM 0 HG3 GLN B 45 4.325 -13.510 2.399 1.00 1.65 H new ATOM 0 HE21 GLN B 45 2.580 -15.038 1.504 1.00 2.41 H new ATOM 0 HE22 GLN B 45 2.419 -15.094 -0.254 1.00 2.41 H new ATOM 2357 N LEU B 46 8.865 -12.534 -0.111 1.00 1.07 N ATOM 2358 CA LEU B 46 9.290 -11.619 -1.168 1.00 1.02 C ATOM 2359 C LEU B 46 9.971 -12.322 -2.348 1.00 1.39 C ATOM 2360 O LEU B 46 9.766 -11.929 -3.492 1.00 1.78 O ATOM 2361 CB LEU B 46 10.121 -10.472 -0.583 1.00 0.98 C ATOM 2362 CG LEU B 46 9.248 -9.313 -0.071 1.00 1.13 C ATOM 2363 CD1 LEU B 46 8.523 -8.622 -1.225 1.00 1.43 C ATOM 2364 CD2 LEU B 46 8.209 -9.714 0.977 1.00 2.21 C ATOM 0 H LEU B 46 9.283 -12.343 0.800 1.00 1.07 H new ATOM 0 HA LEU B 46 8.390 -11.184 -1.602 1.00 1.02 H new ATOM 0 HB2 LEU B 46 10.732 -10.851 0.236 1.00 0.98 H new ATOM 0 HB3 LEU B 46 10.805 -10.098 -1.345 1.00 0.98 H new ATOM 0 HG LEU B 46 9.953 -8.636 0.413 1.00 1.13 H new ATOM 0 HD11 LEU B 46 7.913 -7.807 -0.836 1.00 1.43 H new ATOM 0 HD12 LEU B 46 9.255 -8.224 -1.928 1.00 1.43 H new ATOM 0 HD13 LEU B 46 7.883 -9.342 -1.736 1.00 1.43 H new ATOM 0 HD21 LEU B 46 7.640 -8.835 1.280 1.00 2.21 H new ATOM 0 HD22 LEU B 46 7.532 -10.456 0.553 1.00 2.21 H new ATOM 0 HD23 LEU B 46 8.713 -10.137 1.846 1.00 2.21 H new ATOM 2376 N PRO B 47 10.776 -13.361 -2.107 1.00 1.54 N ATOM 2377 CA PRO B 47 11.994 -13.218 -1.333 1.00 1.73 C ATOM 2378 C PRO B 47 12.941 -12.211 -2.017 1.00 1.66 C ATOM 2379 O PRO B 47 13.685 -11.502 -1.346 1.00 1.99 O ATOM 2380 CB PRO B 47 12.594 -14.624 -1.325 1.00 1.93 C ATOM 2381 CG PRO B 47 12.204 -15.189 -2.693 1.00 1.73 C ATOM 2382 CD PRO B 47 10.849 -14.532 -2.969 1.00 1.79 C ATOM 0 HA PRO B 47 11.821 -12.839 -0.326 1.00 1.73 H new ATOM 0 HB2 PRO B 47 13.676 -14.598 -1.196 1.00 1.93 H new ATOM 0 HB3 PRO B 47 12.191 -15.228 -0.512 1.00 1.93 H new ATOM 0 HG2 PRO B 47 12.938 -14.935 -3.458 1.00 1.73 H new ATOM 0 HG3 PRO B 47 12.128 -16.276 -2.673 1.00 1.73 H new ATOM 0 HD2 PRO B 47 10.762 -14.248 -4.018 1.00 1.79 H new ATOM 0 HD3 PRO B 47 10.032 -15.222 -2.756 1.00 1.79 H new ATOM 2390 N HIS B 48 12.938 -12.166 -3.357 1.00 1.49 N ATOM 2391 CA HIS B 48 13.974 -11.526 -4.159 1.00 1.60 C ATOM 2392 C HIS B 48 13.747 -10.023 -4.334 1.00 1.45 C ATOM 2393 O HIS B 48 14.692 -9.248 -4.208 1.00 2.11 O ATOM 2394 CB HIS B 48 14.061 -12.225 -5.521 1.00 1.65 C ATOM 2395 CG HIS B 48 15.224 -11.746 -6.353 1.00 1.99 C ATOM 2396 ND1 HIS B 48 16.513 -12.226 -6.289 1.00 3.52 N ATOM 2397 CD2 HIS B 48 15.209 -10.717 -7.258 1.00 1.81 C ATOM 2398 CE1 HIS B 48 17.255 -11.503 -7.146 1.00 3.40 C ATOM 2399 NE2 HIS B 48 16.507 -10.572 -7.760 1.00 2.17 N ATOM 0 H HIS B 48 12.197 -12.584 -3.919 1.00 1.49 H new ATOM 0 HA HIS B 48 14.919 -11.629 -3.626 1.00 1.60 H new ATOM 0 HB2 HIS B 48 14.150 -13.300 -5.367 1.00 1.65 H new ATOM 0 HB3 HIS B 48 13.134 -12.057 -6.070 1.00 1.65 H new ATOM 0 HD2 HIS B 48 14.349 -10.124 -7.534 1.00 1.81 H new ATOM 0 HE1 HIS B 48 18.311 -11.651 -7.318 1.00 3.40 H new ATOM 0 HE2 HIS B 48 16.822 -9.894 -8.454 1.00 2.17 H new ATOM 2407 N LEU B 49 12.514 -9.620 -4.668 1.00 1.07 N ATOM 2408 CA LEU B 49 12.126 -8.235 -4.938 1.00 0.94 C ATOM 2409 C LEU B 49 12.762 -7.269 -3.932 1.00 1.07 C ATOM 2410 O LEU B 49 13.529 -6.390 -4.327 1.00 1.23 O ATOM 2411 CB LEU B 49 10.598 -8.167 -4.930 1.00 0.81 C ATOM 2412 CG LEU B 49 10.030 -6.754 -5.144 1.00 0.68 C ATOM 2413 CD1 LEU B 49 9.662 -6.473 -6.598 1.00 0.65 C ATOM 2414 CD2 LEU B 49 8.754 -6.663 -4.327 1.00 0.68 C ATOM 0 H LEU B 49 11.736 -10.273 -4.760 1.00 1.07 H new ATOM 0 HA LEU B 49 12.494 -7.921 -5.915 1.00 0.94 H new ATOM 0 HB2 LEU B 49 10.212 -8.824 -5.710 1.00 0.81 H new ATOM 0 HB3 LEU B 49 10.233 -8.553 -3.978 1.00 0.81 H new ATOM 0 HG LEU B 49 10.792 -6.032 -4.849 1.00 0.68 H new ATOM 0 HD11 LEU B 49 9.267 -5.461 -6.684 1.00 0.65 H new ATOM 0 HD12 LEU B 49 10.549 -6.571 -7.223 1.00 0.65 H new ATOM 0 HD13 LEU B 49 8.906 -7.186 -6.926 1.00 0.65 H new ATOM 0 HD21 LEU B 49 8.314 -5.673 -4.449 1.00 0.68 H new ATOM 0 HD22 LEU B 49 8.048 -7.419 -4.670 1.00 0.68 H new ATOM 0 HD23 LEU B 49 8.983 -6.831 -3.275 1.00 0.68 H new ATOM 2426 N LEU B 50 12.498 -7.435 -2.629 1.00 1.16 N ATOM 2427 CA LEU B 50 13.200 -6.663 -1.606 1.00 1.33 C ATOM 2428 C LEU B 50 14.582 -7.252 -1.333 1.00 1.14 C ATOM 2429 O LEU B 50 14.900 -7.687 -0.229 1.00 1.75 O ATOM 2430 CB LEU B 50 12.371 -6.486 -0.330 1.00 1.69 C ATOM 2431 CG LEU B 50 11.311 -5.379 -0.449 1.00 1.41 C ATOM 2432 CD1 LEU B 50 10.510 -5.391 0.855 1.00 1.76 C ATOM 2433 CD2 LEU B 50 11.912 -3.974 -0.616 1.00 1.36 C ATOM 0 H LEU B 50 11.808 -8.092 -2.265 1.00 1.16 H new ATOM 0 HA LEU B 50 13.347 -5.657 -1.999 1.00 1.33 H new ATOM 0 HB2 LEU B 50 11.878 -7.428 -0.090 1.00 1.69 H new ATOM 0 HB3 LEU B 50 13.038 -6.255 0.500 1.00 1.69 H new ATOM 0 HG LEU B 50 10.709 -5.580 -1.335 1.00 1.41 H new ATOM 0 HD11 LEU B 50 9.742 -4.618 0.817 1.00 1.76 H new ATOM 0 HD12 LEU B 50 10.039 -6.365 0.983 1.00 1.76 H new ATOM 0 HD13 LEU B 50 11.178 -5.198 1.694 1.00 1.76 H new ATOM 0 HD21 LEU B 50 11.109 -3.242 -0.694 1.00 1.36 H new ATOM 0 HD22 LEU B 50 12.534 -3.739 0.248 1.00 1.36 H new ATOM 0 HD23 LEU B 50 12.520 -3.943 -1.520 1.00 1.36 H new ATOM 2445 N LYS B 51 15.424 -7.162 -2.358 1.00 1.14 N ATOM 2446 CA LYS B 51 16.870 -7.095 -2.261 1.00 1.15 C ATOM 2447 C LYS B 51 17.335 -6.414 -0.966 1.00 1.26 C ATOM 2448 O LYS B 51 16.806 -5.381 -0.554 1.00 2.00 O ATOM 2449 CB LYS B 51 17.420 -6.318 -3.465 1.00 1.77 C ATOM 2450 CG LYS B 51 16.524 -5.113 -3.795 1.00 2.75 C ATOM 2451 CD LYS B 51 17.294 -3.826 -4.073 1.00 3.17 C ATOM 2452 CE LYS B 51 16.222 -2.759 -4.365 1.00 4.61 C ATOM 2453 NZ LYS B 51 16.730 -1.378 -4.388 1.00 5.69 N ATOM 0 H LYS B 51 15.096 -7.133 -3.323 1.00 1.14 H new ATOM 0 HA LYS B 51 17.249 -8.117 -2.252 1.00 1.15 H new ATOM 0 HB2 LYS B 51 18.432 -5.976 -3.251 1.00 1.77 H new ATOM 0 HB3 LYS B 51 17.483 -6.977 -4.331 1.00 1.77 H new ATOM 0 HG2 LYS B 51 15.914 -5.354 -4.665 1.00 2.75 H new ATOM 0 HG3 LYS B 51 15.840 -4.943 -2.963 1.00 2.75 H new ATOM 0 HD2 LYS B 51 17.907 -3.543 -3.217 1.00 3.17 H new ATOM 0 HD3 LYS B 51 17.968 -3.947 -4.921 1.00 3.17 H new ATOM 0 HE2 LYS B 51 15.760 -2.979 -5.327 1.00 4.61 H new ATOM 0 HE3 LYS B 51 15.438 -2.833 -3.611 1.00 4.61 H new ATOM 0 HZ1 LYS B 51 15.960 -0.721 -4.150 1.00 5.69 H new ATOM 0 HZ2 LYS B 51 17.497 -1.279 -3.693 1.00 5.69 H new ATOM 0 HZ3 LYS B 51 17.092 -1.157 -5.338 1.00 5.69 H new ATOM 2467 N ASP B 52 18.356 -7.015 -0.357 1.00 1.15 N ATOM 2468 CA ASP B 52 18.820 -6.747 0.990 1.00 1.24 C ATOM 2469 C ASP B 52 17.679 -6.931 1.984 1.00 1.23 C ATOM 2470 O ASP B 52 17.188 -6.000 2.631 1.00 1.65 O ATOM 2471 CB ASP B 52 19.579 -5.431 1.158 1.00 1.55 C ATOM 2472 CG ASP B 52 19.968 -5.265 2.623 1.00 2.44 C ATOM 2473 OD1 ASP B 52 20.127 -6.295 3.315 1.00 3.52 O ATOM 2474 OD2 ASP B 52 19.982 -4.104 3.080 1.00 2.93 O ATOM 0 H ASP B 52 18.906 -7.739 -0.820 1.00 1.15 H new ATOM 0 HA ASP B 52 19.585 -7.490 1.214 1.00 1.24 H new ATOM 0 HB2 ASP B 52 20.469 -5.427 0.529 1.00 1.55 H new ATOM 0 HB3 ASP B 52 18.958 -4.595 0.836 1.00 1.55 H new ATOM 2479 N VAL B 53 17.348 -8.207 2.139 1.00 1.00 N ATOM 2480 CA VAL B 53 16.629 -8.737 3.278 1.00 1.02 C ATOM 2481 C VAL B 53 17.517 -8.776 4.537 1.00 1.34 C ATOM 2482 O VAL B 53 17.052 -9.216 5.588 1.00 1.57 O ATOM 2483 CB VAL B 53 16.108 -10.141 2.916 1.00 0.98 C ATOM 2484 CG1 VAL B 53 15.205 -10.124 1.677 1.00 1.37 C ATOM 2485 CG2 VAL B 53 17.227 -11.173 2.708 1.00 1.42 C ATOM 0 H VAL B 53 17.583 -8.921 1.449 1.00 1.00 H new ATOM 0 HA VAL B 53 15.788 -8.084 3.513 1.00 1.02 H new ATOM 0 HB VAL B 53 15.523 -10.448 3.783 1.00 0.98 H new ATOM 0 HG11 VAL B 53 14.863 -11.136 1.462 1.00 1.37 H new ATOM 0 HG12 VAL B 53 14.344 -9.482 1.863 1.00 1.37 H new ATOM 0 HG13 VAL B 53 15.765 -9.741 0.824 1.00 1.37 H new ATOM 0 HG21 VAL B 53 16.789 -12.139 2.456 1.00 1.42 H new ATOM 0 HG22 VAL B 53 17.877 -10.846 1.896 1.00 1.42 H new ATOM 0 HG23 VAL B 53 17.810 -11.267 3.624 1.00 1.42 H new ATOM 2495 N GLY B 54 18.793 -8.369 4.450 1.00 1.68 N ATOM 2496 CA GLY B 54 19.750 -8.476 5.535 1.00 2.23 C ATOM 2497 C GLY B 54 19.542 -7.325 6.507 1.00 2.00 C ATOM 2498 O GLY B 54 19.275 -7.561 7.686 1.00 2.35 O ATOM 0 H GLY B 54 19.184 -7.951 3.605 1.00 1.68 H new ATOM 0 HA2 GLY B 54 19.627 -9.429 6.050 1.00 2.23 H new ATOM 0 HA3 GLY B 54 20.766 -8.455 5.142 1.00 2.23 H new ATOM 2502 N SER B 55 19.615 -6.085 6.014 1.00 1.58 N ATOM 2503 CA SER B 55 19.423 -4.883 6.825 1.00 1.49 C ATOM 2504 C SER B 55 17.933 -4.663 7.121 1.00 1.27 C ATOM 2505 O SER B 55 17.360 -3.602 6.868 1.00 1.39 O ATOM 2506 CB SER B 55 20.077 -3.667 6.149 1.00 1.73 C ATOM 2507 OG SER B 55 21.226 -4.055 5.422 1.00 2.40 O ATOM 0 H SER B 55 19.811 -5.888 5.033 1.00 1.58 H new ATOM 0 HA SER B 55 19.919 -5.018 7.786 1.00 1.49 H new ATOM 0 HB2 SER B 55 19.362 -3.189 5.480 1.00 1.73 H new ATOM 0 HB3 SER B 55 20.350 -2.929 6.903 1.00 1.73 H new ATOM 0 HG SER B 55 21.065 -3.929 4.464 1.00 2.40 H new ATOM 2513 N LEU B 56 17.267 -5.693 7.636 1.00 1.13 N ATOM 2514 CA LEU B 56 15.872 -5.658 7.988 1.00 1.07 C ATOM 2515 C LEU B 56 15.660 -4.600 9.066 1.00 1.07 C ATOM 2516 O LEU B 56 14.698 -3.851 8.997 1.00 1.12 O ATOM 2517 CB LEU B 56 15.485 -7.085 8.403 1.00 1.07 C ATOM 2518 CG LEU B 56 14.026 -7.309 8.814 1.00 1.21 C ATOM 2519 CD1 LEU B 56 13.821 -7.054 10.311 1.00 1.38 C ATOM 2520 CD2 LEU B 56 13.046 -6.508 7.960 1.00 1.34 C ATOM 0 H LEU B 56 17.706 -6.595 7.821 1.00 1.13 H new ATOM 0 HA LEU B 56 15.221 -5.366 7.164 1.00 1.07 H new ATOM 0 HB2 LEU B 56 15.712 -7.754 7.573 1.00 1.07 H new ATOM 0 HB3 LEU B 56 16.123 -7.382 9.235 1.00 1.07 H new ATOM 0 HG LEU B 56 13.804 -8.360 8.627 1.00 1.21 H new ATOM 0 HD11 LEU B 56 12.775 -7.222 10.569 1.00 1.38 H new ATOM 0 HD12 LEU B 56 14.450 -7.734 10.885 1.00 1.38 H new ATOM 0 HD13 LEU B 56 14.092 -6.024 10.545 1.00 1.38 H new ATOM 0 HD21 LEU B 56 12.027 -6.704 8.294 1.00 1.34 H new ATOM 0 HD22 LEU B 56 13.262 -5.444 8.059 1.00 1.34 H new ATOM 0 HD23 LEU B 56 13.148 -6.803 6.916 1.00 1.34 H new ATOM 2532 N ASP B 57 16.576 -4.500 10.030 1.00 1.13 N ATOM 2533 CA ASP B 57 16.565 -3.484 11.073 1.00 1.19 C ATOM 2534 C ASP B 57 16.491 -2.071 10.482 1.00 1.06 C ATOM 2535 O ASP B 57 15.611 -1.295 10.854 1.00 1.05 O ATOM 2536 CB ASP B 57 17.802 -3.671 11.965 1.00 1.50 C ATOM 2537 CG ASP B 57 19.124 -3.425 11.245 1.00 2.23 C ATOM 2538 OD1 ASP B 57 19.170 -3.731 10.029 1.00 2.84 O ATOM 2539 OD2 ASP B 57 20.044 -2.913 11.913 1.00 3.48 O ATOM 0 H ASP B 57 17.365 -5.142 10.105 1.00 1.13 H new ATOM 0 HA ASP B 57 15.670 -3.603 11.683 1.00 1.19 H new ATOM 0 HB2 ASP B 57 17.731 -2.993 12.815 1.00 1.50 H new ATOM 0 HB3 ASP B 57 17.800 -4.685 12.365 1.00 1.50 H new ATOM 2544 N GLU B 58 17.404 -1.745 9.562 1.00 1.08 N ATOM 2545 CA GLU B 58 17.444 -0.480 8.840 1.00 1.01 C ATOM 2546 C GLU B 58 16.062 -0.190 8.256 1.00 0.81 C ATOM 2547 O GLU B 58 15.443 0.831 8.562 1.00 0.82 O ATOM 2548 CB GLU B 58 18.512 -0.565 7.735 1.00 1.22 C ATOM 2549 CG GLU B 58 18.464 0.574 6.705 1.00 1.47 C ATOM 2550 CD GLU B 58 19.272 0.226 5.460 1.00 1.63 C ATOM 2551 OE1 GLU B 58 18.877 -0.758 4.794 1.00 2.41 O ATOM 2552 OE2 GLU B 58 20.251 0.951 5.190 1.00 2.24 O ATOM 0 H GLU B 58 18.158 -2.378 9.294 1.00 1.08 H new ATOM 0 HA GLU B 58 17.709 0.336 9.512 1.00 1.01 H new ATOM 0 HB2 GLU B 58 19.497 -0.573 8.201 1.00 1.22 H new ATOM 0 HB3 GLU B 58 18.399 -1.514 7.212 1.00 1.22 H new ATOM 0 HG2 GLU B 58 17.429 0.772 6.426 1.00 1.47 H new ATOM 0 HG3 GLU B 58 18.855 1.488 7.152 1.00 1.47 H new ATOM 2559 N LYS B 59 15.589 -1.095 7.394 1.00 0.69 N ATOM 2560 CA LYS B 59 14.330 -0.894 6.694 1.00 0.66 C ATOM 2561 C LYS B 59 13.204 -0.719 7.713 1.00 0.66 C ATOM 2562 O LYS B 59 12.541 0.313 7.730 1.00 0.73 O ATOM 2563 CB LYS B 59 14.081 -2.042 5.695 1.00 0.76 C ATOM 2564 CG LYS B 59 14.332 -1.621 4.232 1.00 1.17 C ATOM 2565 CD LYS B 59 15.168 -2.639 3.442 1.00 1.71 C ATOM 2566 CE LYS B 59 16.663 -2.421 3.722 1.00 2.90 C ATOM 2567 NZ LYS B 59 17.521 -3.383 3.002 1.00 4.28 N ATOM 0 H LYS B 59 16.062 -1.970 7.169 1.00 0.69 H new ATOM 0 HA LYS B 59 14.369 0.019 6.100 1.00 0.66 H new ATOM 0 HB2 LYS B 59 14.730 -2.882 5.944 1.00 0.76 H new ATOM 0 HB3 LYS B 59 13.054 -2.391 5.797 1.00 0.76 H new ATOM 0 HG2 LYS B 59 13.374 -1.482 3.732 1.00 1.17 H new ATOM 0 HG3 LYS B 59 14.840 -0.657 4.221 1.00 1.17 H new ATOM 0 HD2 LYS B 59 14.881 -3.653 3.722 1.00 1.71 H new ATOM 0 HD3 LYS B 59 14.970 -2.535 2.375 1.00 1.71 H new ATOM 0 HE2 LYS B 59 16.939 -1.407 3.433 1.00 2.90 H new ATOM 0 HE3 LYS B 59 16.845 -2.508 4.793 1.00 2.90 H new ATOM 0 HZ1 LYS B 59 18.506 -3.271 3.315 1.00 4.28 H new ATOM 0 HZ2 LYS B 59 17.202 -4.352 3.204 1.00 4.28 H new ATOM 0 HZ3 LYS B 59 17.460 -3.205 1.979 1.00 4.28 H new ATOM 2581 N MET B 60 13.024 -1.702 8.590 1.00 0.82 N ATOM 2582 CA MET B 60 12.036 -1.722 9.660 1.00 1.05 C ATOM 2583 C MET B 60 11.982 -0.367 10.374 1.00 1.06 C ATOM 2584 O MET B 60 10.927 0.265 10.424 1.00 1.18 O ATOM 2585 CB MET B 60 12.374 -2.907 10.578 1.00 1.26 C ATOM 2586 CG MET B 60 11.497 -3.066 11.819 1.00 1.43 C ATOM 2587 SD MET B 60 12.055 -2.110 13.252 1.00 1.66 S ATOM 2588 CE MET B 60 10.925 -2.740 14.505 1.00 2.06 C ATOM 0 H MET B 60 13.593 -2.548 8.571 1.00 0.82 H new ATOM 0 HA MET B 60 11.027 -1.870 9.276 1.00 1.05 H new ATOM 0 HB2 MET B 60 12.310 -3.824 9.992 1.00 1.26 H new ATOM 0 HB3 MET B 60 13.410 -2.807 10.901 1.00 1.26 H new ATOM 0 HG2 MET B 60 10.479 -2.766 11.571 1.00 1.43 H new ATOM 0 HG3 MET B 60 11.461 -4.121 12.092 1.00 1.43 H new ATOM 0 HE1 MET B 60 11.309 -2.497 15.496 1.00 2.06 H new ATOM 0 HE2 MET B 60 9.944 -2.283 14.373 1.00 2.06 H new ATOM 0 HE3 MET B 60 10.837 -3.822 14.405 1.00 2.06 H new ATOM 2598 N LYS B 61 13.126 0.113 10.867 1.00 1.04 N ATOM 2599 CA LYS B 61 13.229 1.431 11.481 1.00 1.12 C ATOM 2600 C LYS B 61 12.763 2.533 10.524 1.00 1.00 C ATOM 2601 O LYS B 61 12.008 3.419 10.922 1.00 1.14 O ATOM 2602 CB LYS B 61 14.674 1.676 11.930 1.00 1.24 C ATOM 2603 CG LYS B 61 14.971 0.896 13.218 1.00 2.10 C ATOM 2604 CD LYS B 61 16.470 0.805 13.541 1.00 2.13 C ATOM 2605 CE LYS B 61 17.241 2.131 13.471 1.00 2.21 C ATOM 2606 NZ LYS B 61 16.552 3.243 14.157 1.00 3.61 N ATOM 0 H LYS B 61 14.005 -0.404 10.850 1.00 1.04 H new ATOM 0 HA LYS B 61 12.573 1.460 12.351 1.00 1.12 H new ATOM 0 HB2 LYS B 61 15.363 1.369 11.144 1.00 1.24 H new ATOM 0 HB3 LYS B 61 14.835 2.741 12.097 1.00 1.24 H new ATOM 0 HG2 LYS B 61 14.455 1.374 14.051 1.00 2.10 H new ATOM 0 HG3 LYS B 61 14.564 -0.111 13.127 1.00 2.10 H new ATOM 0 HD2 LYS B 61 16.584 0.391 14.543 1.00 2.13 H new ATOM 0 HD3 LYS B 61 16.931 0.099 12.850 1.00 2.13 H new ATOM 0 HE2 LYS B 61 18.227 1.994 13.915 1.00 2.21 H new ATOM 0 HE3 LYS B 61 17.397 2.398 12.426 1.00 2.21 H new ATOM 0 HZ1 LYS B 61 17.250 3.822 14.667 1.00 3.61 H new ATOM 0 HZ2 LYS B 61 16.060 3.832 13.455 1.00 3.61 H new ATOM 0 HZ3 LYS B 61 15.861 2.859 14.833 1.00 3.61 H new ATOM 2620 N SER B 62 13.228 2.498 9.274 1.00 0.84 N ATOM 2621 CA SER B 62 12.859 3.485 8.267 1.00 0.93 C ATOM 2622 C SER B 62 11.350 3.499 7.993 1.00 1.08 C ATOM 2623 O SER B 62 10.817 4.552 7.646 1.00 1.35 O ATOM 2624 CB SER B 62 13.658 3.259 6.977 1.00 1.01 C ATOM 2625 OG SER B 62 13.557 4.398 6.142 1.00 1.64 O ATOM 0 H SER B 62 13.871 1.783 8.935 1.00 0.84 H new ATOM 0 HA SER B 62 13.112 4.468 8.663 1.00 0.93 H new ATOM 0 HB2 SER B 62 14.703 3.064 7.216 1.00 1.01 H new ATOM 0 HB3 SER B 62 13.281 2.380 6.455 1.00 1.01 H new ATOM 0 HG SER B 62 14.070 4.248 5.321 1.00 1.64 H new ATOM 2631 N LEU B 63 10.660 2.360 8.102 1.00 1.05 N ATOM 2632 CA LEU B 63 9.206 2.319 7.973 1.00 1.26 C ATOM 2633 C LEU B 63 8.551 2.867 9.242 1.00 1.36 C ATOM 2634 O LEU B 63 7.707 3.761 9.176 1.00 1.53 O ATOM 2635 CB LEU B 63 8.698 0.893 7.730 1.00 1.36 C ATOM 2636 CG LEU B 63 8.850 0.369 6.297 1.00 1.48 C ATOM 2637 CD1 LEU B 63 10.267 -0.102 6.009 1.00 2.01 C ATOM 2638 CD2 LEU B 63 7.949 -0.852 6.127 1.00 1.34 C ATOM 0 H LEU B 63 11.090 1.452 8.280 1.00 1.05 H new ATOM 0 HA LEU B 63 8.939 2.934 7.114 1.00 1.26 H new ATOM 0 HB2 LEU B 63 9.228 0.218 8.402 1.00 1.36 H new ATOM 0 HB3 LEU B 63 7.644 0.851 8.003 1.00 1.36 H new ATOM 0 HG LEU B 63 8.592 1.186 5.623 1.00 1.48 H new ATOM 0 HD11 LEU B 63 10.328 -0.465 4.983 1.00 2.01 H new ATOM 0 HD12 LEU B 63 10.961 0.728 6.143 1.00 2.01 H new ATOM 0 HD13 LEU B 63 10.529 -0.908 6.695 1.00 2.01 H new ATOM 0 HD21 LEU B 63 8.046 -1.237 5.112 1.00 1.34 H new ATOM 0 HD22 LEU B 63 8.244 -1.624 6.838 1.00 1.34 H new ATOM 0 HD23 LEU B 63 6.913 -0.568 6.310 1.00 1.34 H new ATOM 2650 N ASP B 64 8.920 2.314 10.400 1.00 1.32 N ATOM 2651 CA ASP B 64 8.258 2.489 11.696 1.00 1.52 C ATOM 2652 C ASP B 64 8.033 3.924 12.187 1.00 1.62 C ATOM 2653 O ASP B 64 7.488 4.083 13.269 1.00 1.75 O ATOM 2654 CB ASP B 64 8.868 1.602 12.794 1.00 1.53 C ATOM 2655 CG ASP B 64 7.889 1.369 13.947 1.00 1.84 C ATOM 2656 OD1 ASP B 64 6.666 1.294 13.682 1.00 2.19 O ATOM 2657 OD2 ASP B 64 8.338 1.269 15.107 1.00 2.00 O ATOM 0 H ASP B 64 9.732 1.699 10.463 1.00 1.32 H new ATOM 0 HA ASP B 64 7.247 2.144 11.480 1.00 1.52 H new ATOM 0 HB2 ASP B 64 9.160 0.643 12.366 1.00 1.53 H new ATOM 0 HB3 ASP B 64 9.775 2.070 13.177 1.00 1.53 H new ATOM 2662 N VAL B 65 8.599 4.946 11.533 1.00 1.55 N ATOM 2663 CA VAL B 65 9.436 6.041 12.047 1.00 1.49 C ATOM 2664 C VAL B 65 9.137 6.622 13.444 1.00 1.54 C ATOM 2665 O VAL B 65 10.049 7.171 14.060 1.00 1.56 O ATOM 2666 CB VAL B 65 9.458 7.191 11.021 1.00 1.52 C ATOM 2667 CG1 VAL B 65 10.038 6.745 9.674 1.00 1.72 C ATOM 2668 CG2 VAL B 65 8.064 7.793 10.793 1.00 1.92 C ATOM 0 H VAL B 65 8.469 5.037 10.525 1.00 1.55 H new ATOM 0 HA VAL B 65 10.401 5.553 12.188 1.00 1.49 H new ATOM 0 HB VAL B 65 10.104 7.957 11.450 1.00 1.52 H new ATOM 0 HG11 VAL B 65 10.035 7.586 8.980 1.00 1.72 H new ATOM 0 HG12 VAL B 65 11.061 6.395 9.816 1.00 1.72 H new ATOM 0 HG13 VAL B 65 9.431 5.936 9.267 1.00 1.72 H new ATOM 0 HG21 VAL B 65 8.131 8.599 10.062 1.00 1.92 H new ATOM 0 HG22 VAL B 65 7.391 7.021 10.421 1.00 1.92 H new ATOM 0 HG23 VAL B 65 7.679 8.187 11.734 1.00 1.92 H new ATOM 2678 N ASN B 66 7.920 6.497 13.983 1.00 1.64 N ATOM 2679 CA ASN B 66 7.707 6.613 15.428 1.00 1.68 C ATOM 2680 C ASN B 66 8.658 5.702 16.212 1.00 1.70 C ATOM 2681 O ASN B 66 9.065 6.067 17.312 1.00 1.86 O ATOM 2682 CB ASN B 66 6.249 6.353 15.847 1.00 1.79 C ATOM 2683 CG ASN B 66 5.567 5.183 15.137 1.00 2.12 C ATOM 2684 OD1 ASN B 66 5.720 4.007 15.478 1.00 1.69 O ATOM 2685 ND2 ASN B 66 4.775 5.511 14.124 1.00 3.44 N ATOM 0 H ASN B 66 7.073 6.317 13.444 1.00 1.64 H new ATOM 0 HA ASN B 66 7.930 7.650 15.677 1.00 1.68 H new ATOM 0 HB2 ASN B 66 6.223 6.170 16.921 1.00 1.79 H new ATOM 0 HB3 ASN B 66 5.668 7.257 15.664 1.00 1.79 H new ATOM 0 HD21 ASN B 66 4.278 4.784 13.610 1.00 3.44 H new ATOM 0 HD22 ASN B 66 4.664 6.490 13.860 1.00 3.44 H new ATOM 2692 N GLN B 67 9.023 4.543 15.653 1.00 1.64 N ATOM 2693 CA GLN B 67 9.964 3.613 16.266 1.00 1.71 C ATOM 2694 C GLN B 67 9.366 3.082 17.577 1.00 1.73 C ATOM 2695 O GLN B 67 9.982 3.174 18.639 1.00 1.76 O ATOM 2696 CB GLN B 67 11.357 4.253 16.415 1.00 1.98 C ATOM 2697 CG GLN B 67 12.442 3.194 16.678 1.00 2.14 C ATOM 2698 CD GLN B 67 13.841 3.798 16.740 1.00 1.98 C ATOM 2699 OE1 GLN B 67 14.754 3.356 16.039 1.00 2.26 O ATOM 2700 NE2 GLN B 67 14.037 4.812 17.577 1.00 2.69 N ATOM 0 H GLN B 67 8.666 4.225 14.752 1.00 1.64 H new ATOM 0 HA GLN B 67 10.123 2.750 15.619 1.00 1.71 H new ATOM 0 HB2 GLN B 67 11.602 4.808 15.509 1.00 1.98 H new ATOM 0 HB3 GLN B 67 11.342 4.971 17.235 1.00 1.98 H new ATOM 0 HG2 GLN B 67 12.228 2.684 17.617 1.00 2.14 H new ATOM 0 HG3 GLN B 67 12.409 2.441 15.891 1.00 2.14 H new ATOM 0 HE21 GLN B 67 13.265 5.160 18.146 1.00 2.69 H new ATOM 0 HE22 GLN B 67 14.959 5.242 17.650 1.00 2.69 H new ATOM 2709 N ASP B 68 8.159 2.517 17.482 1.00 1.86 N ATOM 2710 CA ASP B 68 7.473 1.837 18.581 1.00 1.91 C ATOM 2711 C ASP B 68 7.796 0.337 18.572 1.00 1.73 C ATOM 2712 O ASP B 68 7.614 -0.332 19.586 1.00 2.05 O ATOM 2713 CB ASP B 68 5.956 2.116 18.560 1.00 2.03 C ATOM 2714 CG ASP B 68 5.248 1.594 17.324 1.00 1.85 C ATOM 2715 OD1 ASP B 68 5.823 0.790 16.567 1.00 1.74 O ATOM 2716 OD2 ASP B 68 4.175 2.087 16.918 1.00 2.17 O ATOM 0 H ASP B 68 7.620 2.521 16.616 1.00 1.86 H new ATOM 0 HA ASP B 68 7.844 2.242 19.522 1.00 1.91 H new ATOM 0 HB2 ASP B 68 5.502 1.666 19.443 1.00 2.03 H new ATOM 0 HB3 ASP B 68 5.794 3.192 18.632 1.00 2.03 H new ATOM 2721 N SER B 69 8.299 -0.193 17.450 1.00 1.72 N ATOM 2722 CA SER B 69 8.663 -1.593 17.265 1.00 1.49 C ATOM 2723 C SER B 69 7.444 -2.486 16.973 1.00 1.37 C ATOM 2724 O SER B 69 7.561 -3.716 16.984 1.00 1.34 O ATOM 2725 CB SER B 69 9.533 -2.108 18.425 1.00 1.61 C ATOM 2726 OG SER B 69 10.437 -3.102 17.977 1.00 2.20 O ATOM 0 H SER B 69 8.468 0.369 16.616 1.00 1.72 H new ATOM 0 HA SER B 69 9.281 -1.651 16.369 1.00 1.49 H new ATOM 0 HB2 SER B 69 10.087 -1.279 18.865 1.00 1.61 H new ATOM 0 HB3 SER B 69 8.896 -2.517 19.209 1.00 1.61 H new ATOM 0 HG SER B 69 10.981 -3.413 18.731 1.00 2.20 H new ATOM 2732 N GLU B 70 6.295 -1.876 16.660 1.00 1.46 N ATOM 2733 CA GLU B 70 5.122 -2.530 16.100 1.00 1.43 C ATOM 2734 C GLU B 70 4.780 -1.791 14.793 1.00 1.42 C ATOM 2735 O GLU B 70 4.220 -0.689 14.815 1.00 1.57 O ATOM 2736 CB GLU B 70 3.950 -2.554 17.118 1.00 1.50 C ATOM 2737 CG GLU B 70 4.158 -3.563 18.279 1.00 1.45 C ATOM 2738 CD GLU B 70 2.891 -4.269 18.812 1.00 2.17 C ATOM 2739 OE1 GLU B 70 2.087 -3.664 19.569 1.00 2.65 O ATOM 2740 OE2 GLU B 70 2.748 -5.463 18.456 1.00 3.00 O ATOM 0 H GLU B 70 6.159 -0.875 16.798 1.00 1.46 H new ATOM 0 HA GLU B 70 5.318 -3.579 15.880 1.00 1.43 H new ATOM 0 HB2 GLU B 70 3.821 -1.555 17.534 1.00 1.50 H new ATOM 0 HB3 GLU B 70 3.028 -2.802 16.592 1.00 1.50 H new ATOM 0 HG2 GLU B 70 4.860 -4.327 17.946 1.00 1.45 H new ATOM 0 HG3 GLU B 70 4.630 -3.037 19.109 1.00 1.45 H new ATOM 2747 N LEU B 71 5.147 -2.381 13.648 1.00 1.32 N ATOM 2748 CA LEU B 71 4.828 -1.867 12.319 1.00 1.31 C ATOM 2749 C LEU B 71 3.358 -2.191 12.065 1.00 1.38 C ATOM 2750 O LEU B 71 3.006 -3.355 11.878 1.00 1.30 O ATOM 2751 CB LEU B 71 5.692 -2.533 11.240 1.00 1.26 C ATOM 2752 CG LEU B 71 7.178 -2.150 11.185 1.00 1.23 C ATOM 2753 CD1 LEU B 71 7.423 -0.950 10.267 1.00 1.35 C ATOM 2754 CD2 LEU B 71 7.827 -1.909 12.548 1.00 1.46 C ATOM 0 H LEU B 71 5.685 -3.247 13.624 1.00 1.32 H new ATOM 0 HA LEU B 71 5.023 -0.795 12.275 1.00 1.31 H new ATOM 0 HB2 LEU B 71 5.628 -3.612 11.377 1.00 1.26 H new ATOM 0 HB3 LEU B 71 5.250 -2.308 10.269 1.00 1.26 H new ATOM 0 HG LEU B 71 7.666 -3.031 10.768 1.00 1.23 H new ATOM 0 HD11 LEU B 71 8.487 -0.711 10.256 1.00 1.35 H new ATOM 0 HD12 LEU B 71 7.095 -1.192 9.256 1.00 1.35 H new ATOM 0 HD13 LEU B 71 6.862 -0.091 10.634 1.00 1.35 H new ATOM 0 HD21 LEU B 71 8.875 -1.644 12.410 1.00 1.46 H new ATOM 0 HD22 LEU B 71 7.311 -1.095 13.058 1.00 1.46 H new ATOM 0 HD23 LEU B 71 7.758 -2.816 13.149 1.00 1.46 H new ATOM 2766 N LYS B 72 2.510 -1.172 12.119 1.00 1.59 N ATOM 2767 CA LYS B 72 1.063 -1.281 12.266 1.00 1.58 C ATOM 2768 C LYS B 72 0.396 -1.519 10.902 1.00 1.62 C ATOM 2769 O LYS B 72 1.086 -1.583 9.892 1.00 1.73 O ATOM 2770 CB LYS B 72 0.626 0.014 12.962 1.00 1.84 C ATOM 2771 CG LYS B 72 -0.630 -0.043 13.840 1.00 1.89 C ATOM 2772 CD LYS B 72 -0.597 1.206 14.738 1.00 2.31 C ATOM 2773 CE LYS B 72 -1.718 1.213 15.785 1.00 2.81 C ATOM 2774 NZ LYS B 72 -1.535 2.312 16.759 1.00 3.57 N ATOM 0 H LYS B 72 2.825 -0.204 12.059 1.00 1.59 H new ATOM 0 HA LYS B 72 0.757 -2.138 12.866 1.00 1.58 H new ATOM 0 HB2 LYS B 72 1.454 0.359 13.581 1.00 1.84 H new ATOM 0 HB3 LYS B 72 0.466 0.771 12.194 1.00 1.84 H new ATOM 0 HG2 LYS B 72 -1.531 -0.055 13.227 1.00 1.89 H new ATOM 0 HG3 LYS B 72 -0.641 -0.952 14.441 1.00 1.89 H new ATOM 0 HD2 LYS B 72 0.367 1.259 15.244 1.00 2.31 H new ATOM 0 HD3 LYS B 72 -0.681 2.098 14.116 1.00 2.31 H new ATOM 0 HE2 LYS B 72 -2.682 1.321 15.288 1.00 2.81 H new ATOM 0 HE3 LYS B 72 -1.735 0.258 16.310 1.00 2.81 H new ATOM 0 HZ1 LYS B 72 -2.308 2.292 17.455 1.00 3.57 H new ATOM 0 HZ2 LYS B 72 -0.625 2.194 17.249 1.00 3.57 H new ATOM 0 HZ3 LYS B 72 -1.543 3.224 16.259 1.00 3.57 H new ATOM 2788 N PHE B 73 -0.934 -1.667 10.856 1.00 1.66 N ATOM 2789 CA PHE B 73 -1.719 -1.857 9.628 1.00 1.78 C ATOM 2790 C PHE B 73 -2.025 -0.501 8.967 1.00 2.02 C ATOM 2791 O PHE B 73 -3.101 0.044 9.159 1.00 1.74 O ATOM 2792 CB PHE B 73 -3.024 -2.615 9.966 1.00 1.76 C ATOM 2793 CG PHE B 73 -3.590 -2.423 11.371 1.00 1.59 C ATOM 2794 CD1 PHE B 73 -4.247 -1.232 11.741 1.00 2.93 C ATOM 2795 CD2 PHE B 73 -3.462 -3.457 12.318 1.00 2.71 C ATOM 2796 CE1 PHE B 73 -4.721 -1.058 13.054 1.00 4.44 C ATOM 2797 CE2 PHE B 73 -3.984 -3.305 13.614 1.00 4.09 C ATOM 2798 CZ PHE B 73 -4.590 -2.096 13.991 1.00 4.81 C ATOM 0 H PHE B 73 -1.511 -1.658 11.697 1.00 1.66 H new ATOM 0 HA PHE B 73 -1.141 -2.448 8.918 1.00 1.78 H new ATOM 0 HB2 PHE B 73 -3.787 -2.313 9.249 1.00 1.76 H new ATOM 0 HB3 PHE B 73 -2.847 -3.680 9.814 1.00 1.76 H new ATOM 0 HD1 PHE B 73 -4.387 -0.448 11.012 1.00 2.93 H new ATOM 0 HD2 PHE B 73 -2.959 -4.373 12.047 1.00 2.71 H new ATOM 0 HE1 PHE B 73 -5.186 -0.126 13.341 1.00 4.44 H new ATOM 0 HE2 PHE B 73 -3.919 -4.119 14.321 1.00 4.09 H new ATOM 0 HZ PHE B 73 -4.955 -1.964 14.999 1.00 4.81 H new ATOM 2808 N ASN B 74 -1.079 0.082 8.225 1.00 2.62 N ATOM 2809 CA ASN B 74 -0.407 1.300 8.688 1.00 1.26 C ATOM 2810 C ASN B 74 1.084 0.929 8.670 1.00 1.90 C ATOM 2811 O ASN B 74 1.364 0.082 7.830 1.00 3.84 O ATOM 2812 CB ASN B 74 -1.056 1.984 9.895 1.00 1.74 C ATOM 2813 CG ASN B 74 -0.283 3.227 10.304 1.00 2.88 C ATOM 2814 OD1 ASN B 74 0.464 3.197 11.272 1.00 4.84 O ATOM 2815 ND2 ASN B 74 -0.401 4.312 9.546 1.00 2.58 N ATOM 0 H ASN B 74 -0.765 -0.262 7.317 1.00 2.62 H new ATOM 0 HA ASN B 74 -0.530 2.172 8.046 1.00 1.26 H new ATOM 0 HB2 ASN B 74 -2.084 2.255 9.654 1.00 1.74 H new ATOM 0 HB3 ASN B 74 -1.098 1.287 10.732 1.00 1.74 H new ATOM 0 HD21 ASN B 74 0.139 5.149 9.766 1.00 2.58 H new ATOM 0 HD22 ASN B 74 -1.032 4.308 8.745 1.00 2.58 H new ATOM 2822 N GLU B 75 2.049 1.629 9.285 1.00 1.17 N ATOM 2823 CA GLU B 75 3.447 1.764 8.847 1.00 1.30 C ATOM 2824 C GLU B 75 4.063 0.559 8.103 1.00 0.94 C ATOM 2825 O GLU B 75 4.802 0.805 7.154 1.00 0.93 O ATOM 2826 CB GLU B 75 4.357 2.023 10.058 1.00 1.54 C ATOM 2827 CG GLU B 75 3.848 3.052 11.087 1.00 1.65 C ATOM 2828 CD GLU B 75 3.636 2.465 12.477 1.00 1.74 C ATOM 2829 OE1 GLU B 75 3.666 1.237 12.690 1.00 2.21 O ATOM 2830 OE2 GLU B 75 3.665 3.209 13.474 1.00 2.39 O ATOM 0 H GLU B 75 1.866 2.143 10.147 1.00 1.17 H new ATOM 0 HA GLU B 75 3.399 2.590 8.138 1.00 1.30 H new ATOM 0 HB2 GLU B 75 4.519 1.076 10.573 1.00 1.54 H new ATOM 0 HB3 GLU B 75 5.328 2.357 9.691 1.00 1.54 H new ATOM 0 HG2 GLU B 75 4.562 3.873 11.153 1.00 1.65 H new ATOM 0 HG3 GLU B 75 2.908 3.475 10.732 1.00 1.65 H new ATOM 2837 N TYR B 76 3.772 -0.703 8.464 1.00 0.88 N ATOM 2838 CA TYR B 76 4.095 -1.857 7.613 1.00 0.88 C ATOM 2839 C TYR B 76 3.821 -1.561 6.142 1.00 0.88 C ATOM 2840 O TYR B 76 4.698 -1.720 5.306 1.00 0.89 O ATOM 2841 CB TYR B 76 3.283 -3.089 8.044 1.00 0.98 C ATOM 2842 CG TYR B 76 3.385 -4.251 7.073 1.00 1.28 C ATOM 2843 CD1 TYR B 76 4.490 -5.114 7.135 1.00 2.50 C ATOM 2844 CD2 TYR B 76 2.463 -4.377 6.015 1.00 2.47 C ATOM 2845 CE1 TYR B 76 4.688 -6.081 6.136 1.00 3.18 C ATOM 2846 CE2 TYR B 76 2.684 -5.313 4.991 1.00 3.02 C ATOM 2847 CZ TYR B 76 3.807 -6.155 5.045 1.00 2.93 C ATOM 2848 OH TYR B 76 4.050 -7.037 4.036 1.00 3.88 O ATOM 0 H TYR B 76 3.313 -0.948 9.341 1.00 0.88 H new ATOM 0 HA TYR B 76 5.159 -2.061 7.733 1.00 0.88 H new ATOM 0 HB2 TYR B 76 3.626 -3.415 9.026 1.00 0.98 H new ATOM 0 HB3 TYR B 76 2.236 -2.805 8.150 1.00 0.98 H new ATOM 0 HD1 TYR B 76 5.190 -5.034 7.953 1.00 2.50 H new ATOM 0 HD2 TYR B 76 1.583 -3.752 5.991 1.00 2.47 H new ATOM 0 HE1 TYR B 76 5.518 -6.768 6.207 1.00 3.18 H new ATOM 0 HE2 TYR B 76 1.992 -5.385 4.165 1.00 3.02 H new ATOM 0 HH TYR B 76 3.345 -6.962 3.359 1.00 3.88 H new ATOM 2858 N TRP B 77 2.604 -1.128 5.829 1.00 0.94 N ATOM 2859 CA TRP B 77 2.159 -0.666 4.541 1.00 0.90 C ATOM 2860 C TRP B 77 3.177 0.203 3.778 1.00 0.84 C ATOM 2861 O TRP B 77 3.218 0.131 2.552 1.00 1.00 O ATOM 2862 CB TRP B 77 0.798 0.026 4.705 1.00 0.92 C ATOM 2863 CG TRP B 77 0.251 0.375 3.372 1.00 1.14 C ATOM 2864 CD1 TRP B 77 -0.305 -0.499 2.503 1.00 2.43 C ATOM 2865 CD2 TRP B 77 0.438 1.615 2.640 1.00 1.48 C ATOM 2866 NE1 TRP B 77 -0.409 0.099 1.267 1.00 2.63 N ATOM 2867 CE2 TRP B 77 -0.036 1.416 1.316 1.00 1.72 C ATOM 2868 CE3 TRP B 77 0.995 2.876 2.946 1.00 2.98 C ATOM 2869 CZ2 TRP B 77 -0.061 2.433 0.371 1.00 2.16 C ATOM 2870 CZ3 TRP B 77 1.046 3.878 1.966 1.00 3.73 C ATOM 2871 CH2 TRP B 77 0.469 3.677 0.716 1.00 3.02 C ATOM 0 H TRP B 77 1.859 -1.093 6.525 1.00 0.94 H new ATOM 0 HA TRP B 77 2.053 -1.542 3.901 1.00 0.90 H new ATOM 0 HB2 TRP B 77 0.106 -0.631 5.232 1.00 0.92 H new ATOM 0 HB3 TRP B 77 0.907 0.926 5.311 1.00 0.92 H new ATOM 0 HD1 TRP B 77 -0.618 -1.505 2.740 1.00 2.43 H new ATOM 0 HE1 TRP B 77 -0.724 -0.378 0.422 1.00 2.63 H new ATOM 0 HE3 TRP B 77 1.382 3.069 3.936 1.00 2.98 H new ATOM 0 HZ2 TRP B 77 -0.481 2.265 -0.610 1.00 2.16 H new ATOM 0 HZ3 TRP B 77 1.538 4.815 2.184 1.00 3.73 H new ATOM 0 HH2 TRP B 77 0.431 4.491 0.007 1.00 3.02 H new ATOM 2882 N ARG B 78 4.032 1.003 4.431 1.00 0.75 N ATOM 2883 CA ARG B 78 5.126 1.663 3.712 1.00 0.73 C ATOM 2884 C ARG B 78 5.841 0.664 2.803 1.00 0.70 C ATOM 2885 O ARG B 78 6.069 0.944 1.626 1.00 0.76 O ATOM 2886 CB ARG B 78 6.143 2.266 4.685 1.00 0.74 C ATOM 2887 CG ARG B 78 5.646 3.541 5.375 1.00 0.94 C ATOM 2888 CD ARG B 78 6.173 4.808 4.677 1.00 2.03 C ATOM 2889 NE ARG B 78 5.786 4.911 3.255 1.00 3.69 N ATOM 2890 CZ ARG B 78 4.601 5.361 2.812 1.00 4.98 C ATOM 2891 NH1 ARG B 78 3.619 5.568 3.695 1.00 5.16 N ATOM 2892 NH2 ARG B 78 4.400 5.620 1.511 1.00 6.80 N ATOM 0 H ARG B 78 3.989 1.204 5.430 1.00 0.75 H new ATOM 0 HA ARG B 78 4.691 2.463 3.113 1.00 0.73 H new ATOM 0 HB2 ARG B 78 6.392 1.525 5.444 1.00 0.74 H new ATOM 0 HB3 ARG B 78 7.063 2.490 4.145 1.00 0.74 H new ATOM 0 HG2 ARG B 78 4.556 3.553 5.376 1.00 0.94 H new ATOM 0 HG3 ARG B 78 5.966 3.539 6.417 1.00 0.94 H new ATOM 0 HD2 ARG B 78 5.803 5.685 5.209 1.00 2.03 H new ATOM 0 HD3 ARG B 78 7.260 4.826 4.750 1.00 2.03 H new ATOM 0 HE ARG B 78 6.470 4.618 2.557 1.00 3.69 H new ATOM 0 HH11 ARG B 78 3.777 5.384 4.686 1.00 5.16 H new ATOM 0 HH12 ARG B 78 2.712 5.910 3.378 1.00 5.16 H new ATOM 0 HH21 ARG B 78 5.154 5.476 0.840 1.00 6.80 H new ATOM 0 HH22 ARG B 78 3.493 5.961 1.193 1.00 6.80 H new ATOM 2906 N LEU B 79 6.120 -0.520 3.350 1.00 0.63 N ATOM 2907 CA LEU B 79 6.743 -1.623 2.653 1.00 0.57 C ATOM 2908 C LEU B 79 6.130 -1.831 1.281 1.00 0.62 C ATOM 2909 O LEU B 79 6.877 -1.951 0.318 1.00 0.62 O ATOM 2910 CB LEU B 79 6.613 -2.936 3.443 1.00 0.72 C ATOM 2911 CG LEU B 79 7.621 -3.989 2.961 1.00 0.75 C ATOM 2912 CD1 LEU B 79 9.010 -3.766 3.575 1.00 0.78 C ATOM 2913 CD2 LEU B 79 7.078 -5.395 3.239 1.00 1.07 C ATOM 0 H LEU B 79 5.907 -0.735 4.324 1.00 0.63 H new ATOM 0 HA LEU B 79 7.796 -1.362 2.548 1.00 0.57 H new ATOM 0 HB2 LEU B 79 6.770 -2.740 4.504 1.00 0.72 H new ATOM 0 HB3 LEU B 79 5.601 -3.326 3.338 1.00 0.72 H new ATOM 0 HG LEU B 79 7.748 -3.885 1.883 1.00 0.75 H new ATOM 0 HD11 LEU B 79 9.696 -4.531 3.210 1.00 0.78 H new ATOM 0 HD12 LEU B 79 9.380 -2.781 3.290 1.00 0.78 H new ATOM 0 HD13 LEU B 79 8.942 -3.828 4.661 1.00 0.78 H new ATOM 0 HD21 LEU B 79 7.798 -6.138 2.895 1.00 1.07 H new ATOM 0 HD22 LEU B 79 6.915 -5.517 4.310 1.00 1.07 H new ATOM 0 HD23 LEU B 79 6.135 -5.532 2.710 1.00 1.07 H new ATOM 2925 N ILE B 80 4.797 -1.905 1.145 1.00 0.76 N ATOM 2926 CA ILE B 80 4.235 -2.382 -0.092 1.00 0.86 C ATOM 2927 C ILE B 80 4.384 -1.243 -1.108 1.00 1.02 C ATOM 2928 O ILE B 80 4.451 -1.454 -2.318 1.00 1.12 O ATOM 2929 CB ILE B 80 2.863 -2.969 0.288 1.00 0.92 C ATOM 2930 CG1 ILE B 80 2.239 -3.987 -0.656 1.00 2.60 C ATOM 2931 CG2 ILE B 80 1.787 -2.020 0.805 1.00 2.06 C ATOM 2932 CD1 ILE B 80 1.243 -4.797 0.185 1.00 2.40 C ATOM 0 H ILE B 80 4.120 -1.645 1.862 1.00 0.76 H new ATOM 0 HA ILE B 80 4.715 -3.206 -0.619 1.00 0.86 H new ATOM 0 HB ILE B 80 3.232 -3.518 1.154 1.00 0.92 H new ATOM 0 HG12 ILE B 80 1.735 -3.491 -1.485 1.00 2.60 H new ATOM 0 HG13 ILE B 80 3.001 -4.635 -1.088 1.00 2.60 H new ATOM 0 HG21 ILE B 80 0.881 -2.584 1.028 1.00 2.06 H new ATOM 0 HG22 ILE B 80 2.141 -1.528 1.711 1.00 2.06 H new ATOM 0 HG23 ILE B 80 1.569 -1.269 0.046 1.00 2.06 H new ATOM 0 HD11 ILE B 80 0.762 -5.547 -0.443 1.00 2.40 H new ATOM 0 HD12 ILE B 80 1.772 -5.291 1.000 1.00 2.40 H new ATOM 0 HD13 ILE B 80 0.486 -4.129 0.596 1.00 2.40 H new ATOM 2944 N GLY B 81 4.527 -0.018 -0.578 1.00 1.13 N ATOM 2945 CA GLY B 81 4.927 1.154 -1.307 1.00 1.35 C ATOM 2946 C GLY B 81 6.267 0.949 -1.929 1.00 1.28 C ATOM 2947 O GLY B 81 6.453 1.177 -3.119 1.00 1.49 O ATOM 0 H GLY B 81 4.356 0.170 0.410 1.00 1.13 H new ATOM 0 HA2 GLY B 81 4.191 1.378 -2.079 1.00 1.35 H new ATOM 0 HA3 GLY B 81 4.958 2.013 -0.637 1.00 1.35 H new ATOM 2951 N GLU B 82 7.195 0.509 -1.105 1.00 1.06 N ATOM 2952 CA GLU B 82 8.550 0.334 -1.527 1.00 1.10 C ATOM 2953 C GLU B 82 8.556 -0.818 -2.536 1.00 1.10 C ATOM 2954 O GLU B 82 9.030 -0.616 -3.635 1.00 1.32 O ATOM 2955 CB GLU B 82 9.431 0.212 -0.289 1.00 0.93 C ATOM 2956 CG GLU B 82 9.113 1.367 0.696 1.00 0.90 C ATOM 2957 CD GLU B 82 10.058 2.550 0.546 1.00 1.20 C ATOM 2958 OE1 GLU B 82 11.212 2.435 1.001 1.00 1.92 O ATOM 2959 OE2 GLU B 82 9.590 3.566 -0.024 1.00 2.19 O ATOM 0 H GLU B 82 7.022 0.266 -0.129 1.00 1.06 H new ATOM 0 HA GLU B 82 8.985 1.179 -2.061 1.00 1.10 H new ATOM 0 HB2 GLU B 82 9.262 -0.749 0.196 1.00 0.93 H new ATOM 0 HB3 GLU B 82 10.482 0.244 -0.575 1.00 0.93 H new ATOM 0 HG2 GLU B 82 8.089 1.704 0.535 1.00 0.90 H new ATOM 0 HG3 GLU B 82 9.168 0.992 1.718 1.00 0.90 H new ATOM 2966 N LEU B 83 7.914 -1.960 -2.271 1.00 0.95 N ATOM 2967 CA LEU B 83 7.738 -3.010 -3.279 1.00 1.00 C ATOM 2968 C LEU B 83 7.318 -2.428 -4.646 1.00 0.90 C ATOM 2969 O LEU B 83 8.025 -2.580 -5.645 1.00 0.89 O ATOM 2970 CB LEU B 83 6.641 -4.000 -2.849 1.00 1.39 C ATOM 2971 CG LEU B 83 7.013 -5.137 -1.894 1.00 0.92 C ATOM 2972 CD1 LEU B 83 7.375 -4.742 -0.480 1.00 2.02 C ATOM 2973 CD2 LEU B 83 5.881 -6.169 -1.872 1.00 2.02 C ATOM 0 H LEU B 83 7.506 -2.181 -1.363 1.00 0.95 H new ATOM 0 HA LEU B 83 8.702 -3.511 -3.370 1.00 1.00 H new ATOM 0 HB2 LEU B 83 5.841 -3.425 -2.383 1.00 1.39 H new ATOM 0 HB3 LEU B 83 6.227 -4.448 -3.752 1.00 1.39 H new ATOM 0 HG LEU B 83 7.937 -5.548 -2.299 1.00 0.92 H new ATOM 0 HD11 LEU B 83 7.618 -5.635 0.096 1.00 2.02 H new ATOM 0 HD12 LEU B 83 8.237 -4.076 -0.498 1.00 2.02 H new ATOM 0 HD13 LEU B 83 6.531 -4.231 -0.018 1.00 2.02 H new ATOM 0 HD21 LEU B 83 6.142 -6.981 -1.193 1.00 2.02 H new ATOM 0 HD22 LEU B 83 4.961 -5.693 -1.532 1.00 2.02 H new ATOM 0 HD23 LEU B 83 5.733 -6.569 -2.875 1.00 2.02 H new ATOM 2985 N ALA B 84 6.159 -1.761 -4.674 1.00 0.95 N ATOM 2986 CA ALA B 84 5.575 -1.195 -5.888 1.00 1.01 C ATOM 2987 C ALA B 84 6.530 -0.215 -6.566 1.00 0.98 C ATOM 2988 O ALA B 84 6.690 -0.207 -7.783 1.00 1.20 O ATOM 2989 CB ALA B 84 4.258 -0.504 -5.518 1.00 1.06 C ATOM 0 H ALA B 84 5.595 -1.599 -3.840 1.00 0.95 H new ATOM 0 HA ALA B 84 5.387 -1.997 -6.602 1.00 1.01 H new ATOM 0 HB1 ALA B 84 3.808 -0.075 -6.413 1.00 1.06 H new ATOM 0 HB2 ALA B 84 3.575 -1.233 -5.082 1.00 1.06 H new ATOM 0 HB3 ALA B 84 4.453 0.288 -4.795 1.00 1.06 H new ATOM 2995 N LYS B 85 7.146 0.645 -5.765 1.00 0.81 N ATOM 2996 CA LYS B 85 8.053 1.685 -6.204 1.00 0.76 C ATOM 2997 C LYS B 85 9.310 1.066 -6.818 1.00 0.71 C ATOM 2998 O LYS B 85 9.658 1.389 -7.953 1.00 0.70 O ATOM 2999 CB LYS B 85 8.308 2.536 -4.961 1.00 1.15 C ATOM 3000 CG LYS B 85 9.187 3.775 -5.075 1.00 0.85 C ATOM 3001 CD LYS B 85 9.387 4.351 -3.656 1.00 1.48 C ATOM 3002 CE LYS B 85 8.086 4.835 -2.973 1.00 0.65 C ATOM 3003 NZ LYS B 85 8.298 5.208 -1.558 1.00 1.51 N ATOM 0 H LYS B 85 7.019 0.632 -4.753 1.00 0.81 H new ATOM 0 HA LYS B 85 7.651 2.313 -6.999 1.00 0.76 H new ATOM 0 HB2 LYS B 85 7.339 2.856 -4.578 1.00 1.15 H new ATOM 0 HB3 LYS B 85 8.751 1.888 -4.205 1.00 1.15 H new ATOM 0 HG2 LYS B 85 10.148 3.520 -5.522 1.00 0.85 H new ATOM 0 HG3 LYS B 85 8.720 4.515 -5.724 1.00 0.85 H new ATOM 0 HD2 LYS B 85 9.850 3.588 -3.030 1.00 1.48 H new ATOM 0 HD3 LYS B 85 10.086 5.185 -3.711 1.00 1.48 H new ATOM 0 HE2 LYS B 85 7.691 5.693 -3.517 1.00 0.65 H new ATOM 0 HE3 LYS B 85 7.334 4.048 -3.030 1.00 0.65 H new ATOM 0 HZ1 LYS B 85 7.410 5.573 -1.158 1.00 1.51 H new ATOM 0 HZ2 LYS B 85 8.601 4.371 -1.020 1.00 1.51 H new ATOM 0 HZ3 LYS B 85 9.032 5.942 -1.499 1.00 1.51 H new ATOM 3017 N GLU B 86 9.979 0.180 -6.080 1.00 0.78 N ATOM 3018 CA GLU B 86 11.255 -0.420 -6.430 1.00 0.85 C ATOM 3019 C GLU B 86 11.171 -1.134 -7.779 1.00 0.83 C ATOM 3020 O GLU B 86 12.115 -1.039 -8.562 1.00 0.99 O ATOM 3021 CB GLU B 86 11.738 -1.390 -5.331 1.00 0.93 C ATOM 3022 CG GLU B 86 12.044 -0.700 -3.988 1.00 1.07 C ATOM 3023 CD GLU B 86 13.274 0.202 -4.016 1.00 1.70 C ATOM 3024 OE1 GLU B 86 14.389 -0.356 -3.915 1.00 2.46 O ATOM 3025 OE2 GLU B 86 13.093 1.434 -4.110 1.00 2.26 O ATOM 0 H GLU B 86 9.625 -0.150 -5.182 1.00 0.78 H new ATOM 0 HA GLU B 86 11.986 0.384 -6.513 1.00 0.85 H new ATOM 0 HB2 GLU B 86 10.976 -2.153 -5.172 1.00 0.93 H new ATOM 0 HB3 GLU B 86 12.635 -1.902 -5.679 1.00 0.93 H new ATOM 0 HG2 GLU B 86 11.179 -0.107 -3.691 1.00 1.07 H new ATOM 0 HG3 GLU B 86 12.184 -1.464 -3.223 1.00 1.07 H new ATOM 3032 N ILE B 87 10.054 -1.820 -8.081 1.00 0.74 N ATOM 3033 CA ILE B 87 9.875 -2.436 -9.392 1.00 0.75 C ATOM 3034 C ILE B 87 10.134 -1.422 -10.520 1.00 0.80 C ATOM 3035 O ILE B 87 10.691 -1.762 -11.561 1.00 0.99 O ATOM 3036 CB ILE B 87 8.496 -3.138 -9.488 1.00 0.80 C ATOM 3037 CG1 ILE B 87 8.687 -4.480 -10.216 1.00 1.08 C ATOM 3038 CG2 ILE B 87 7.431 -2.302 -10.219 1.00 1.06 C ATOM 3039 CD1 ILE B 87 7.436 -5.349 -10.130 1.00 0.82 C ATOM 0 H ILE B 87 9.274 -1.957 -7.438 1.00 0.74 H new ATOM 0 HA ILE B 87 10.622 -3.220 -9.521 1.00 0.75 H new ATOM 0 HB ILE B 87 8.128 -3.280 -8.472 1.00 0.80 H new ATOM 0 HG12 ILE B 87 8.931 -4.295 -11.262 1.00 1.08 H new ATOM 0 HG13 ILE B 87 9.532 -5.014 -9.781 1.00 1.08 H new ATOM 0 HG21 ILE B 87 6.492 -2.855 -10.249 1.00 1.06 H new ATOM 0 HG22 ILE B 87 7.281 -1.361 -9.690 1.00 1.06 H new ATOM 0 HG23 ILE B 87 7.764 -2.098 -11.237 1.00 1.06 H new ATOM 0 HD11 ILE B 87 7.609 -6.288 -10.655 1.00 0.82 H new ATOM 0 HD12 ILE B 87 7.207 -5.555 -9.084 1.00 0.82 H new ATOM 0 HD13 ILE B 87 6.597 -4.826 -10.589 1.00 0.82 H new ATOM 3051 N ARG B 88 9.740 -0.162 -10.305 1.00 0.77 N ATOM 3052 CA ARG B 88 10.011 0.935 -11.218 1.00 1.01 C ATOM 3053 C ARG B 88 11.441 1.460 -10.991 1.00 1.17 C ATOM 3054 O ARG B 88 12.180 1.701 -11.951 1.00 1.58 O ATOM 3055 CB ARG B 88 8.928 2.023 -11.024 1.00 1.06 C ATOM 3056 CG ARG B 88 8.314 2.589 -12.318 1.00 1.82 C ATOM 3057 CD ARG B 88 9.214 3.567 -13.089 1.00 2.08 C ATOM 3058 NE ARG B 88 10.451 2.919 -13.544 1.00 3.00 N ATOM 3059 CZ ARG B 88 10.582 2.042 -14.549 1.00 4.28 C ATOM 3060 NH1 ARG B 88 9.642 1.936 -15.494 1.00 4.81 N ATOM 3061 NH2 ARG B 88 11.661 1.256 -14.557 1.00 5.78 N ATOM 0 H ARG B 88 9.216 0.120 -9.477 1.00 0.77 H new ATOM 0 HA ARG B 88 9.963 0.603 -12.255 1.00 1.01 H new ATOM 0 HB2 ARG B 88 8.126 1.607 -10.414 1.00 1.06 H new ATOM 0 HB3 ARG B 88 9.364 2.847 -10.459 1.00 1.06 H new ATOM 0 HG2 ARG B 88 8.059 1.758 -12.975 1.00 1.82 H new ATOM 0 HG3 ARG B 88 7.382 3.096 -12.069 1.00 1.82 H new ATOM 0 HD2 ARG B 88 8.672 3.961 -13.948 1.00 2.08 H new ATOM 0 HD3 ARG B 88 9.461 4.416 -12.451 1.00 2.08 H new ATOM 0 HE ARG B 88 11.304 3.163 -13.040 1.00 3.00 H new ATOM 0 HH11 ARG B 88 8.812 2.527 -15.456 1.00 4.81 H new ATOM 0 HH12 ARG B 88 9.755 1.264 -16.253 1.00 4.81 H new ATOM 0 HH21 ARG B 88 12.354 1.334 -13.813 1.00 5.78 H new ATOM 0 HH22 ARG B 88 11.792 0.577 -15.307 1.00 5.78 H new ATOM 3075 N LYS B 89 11.785 1.732 -9.733 1.00 1.02 N ATOM 3076 CA LYS B 89 12.882 2.590 -9.306 1.00 1.24 C ATOM 3077 C LYS B 89 13.958 1.808 -8.550 1.00 1.20 C ATOM 3078 O LYS B 89 13.851 1.647 -7.342 1.00 1.43 O ATOM 3079 CB LYS B 89 12.250 3.653 -8.400 1.00 1.44 C ATOM 3080 CG LYS B 89 11.581 4.727 -9.250 1.00 2.92 C ATOM 3081 CD LYS B 89 10.541 5.426 -8.383 1.00 3.30 C ATOM 3082 CE LYS B 89 10.100 6.704 -9.106 1.00 5.02 C ATOM 3083 NZ LYS B 89 8.970 7.365 -8.436 1.00 5.90 N ATOM 0 H LYS B 89 11.276 1.336 -8.943 1.00 1.02 H new ATOM 0 HA LYS B 89 13.384 3.032 -10.167 1.00 1.24 H new ATOM 0 HB2 LYS B 89 11.517 3.191 -7.739 1.00 1.44 H new ATOM 0 HB3 LYS B 89 13.013 4.103 -7.765 1.00 1.44 H new ATOM 0 HG2 LYS B 89 12.319 5.442 -9.612 1.00 2.92 H new ATOM 0 HG3 LYS B 89 11.111 4.282 -10.127 1.00 2.92 H new ATOM 0 HD2 LYS B 89 9.686 4.772 -8.211 1.00 3.30 H new ATOM 0 HD3 LYS B 89 10.960 5.667 -7.406 1.00 3.30 H new ATOM 0 HE2 LYS B 89 10.941 7.395 -9.162 1.00 5.02 H new ATOM 0 HE3 LYS B 89 9.819 6.460 -10.131 1.00 5.02 H new ATOM 0 HZ1 LYS B 89 8.687 8.205 -8.980 1.00 5.90 H new ATOM 0 HZ2 LYS B 89 8.168 6.705 -8.375 1.00 5.90 H new ATOM 0 HZ3 LYS B 89 9.255 7.653 -7.478 1.00 5.90 H new