USER MOD reduce.3.24.130724 H: found=0, std=0, add=1443, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 1445 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: A 74 ASN : amide:sc= 0.141 K(o=1.3,f=-5.9!) USER MOD Set 1.2: B 85 LYS NZ :NH3+ 145:sc= 1.18 (180deg=0) USER MOD Set 2.1: B 66 ASN : amide:sc= 0.56 X(o=0.53,f=0.098) USER MOD Set 2.2: B 69 SER OG : rot 180:sc= -0.0297 USER MOD Set 3.1: B 48 HIS : no HE2:sc= -3.31 K(o=-2,f=-15!) USER MOD Set 3.2: B 51 LYS NZ :NH3+ 172:sc= 1.36 (180deg=0.000848) USER MOD Set 4.1: B 44 GLN : amide:sc= -0.897 K(o=-0.66,f=-2) USER MOD Set 4.2: B 45 GLN : amide:sc= 0.238 K(o=-0.66,f=-1.6) USER MOD Set 5.1: B 36 ASN : amide:sc= 1 K(o=3.2,f=-6.8!) USER MOD Set 5.2: B 39 LYS NZ :NH3+ -144:sc= 2.2 (180deg=0.407) USER MOD Set 6.1: A 55 SER OG : rot -73:sc= 2.07 USER MOD Set 6.2: A 85 LYS NZ :NH3+ -163:sc= 3.53 (180deg=1.56) USER MOD Set 7.1: A 44 GLN : amide:sc= 0.819 K(o=4.2,f=-3.4) USER MOD Set 7.2: A 45 GLN : amide:sc= 2.34 K(o=4.2,f=-3.4!) USER MOD Set 7.3: B 7 THR OG1 : rot 158:sc= 1 USER MOD Set 8.1: A 36 ASN : amide:sc= 0.144 K(o=3,f=-3.1) USER MOD Set 8.2: A 39 LYS NZ :NH3+ -137:sc= 1.86 (180deg=0.395) USER MOD Set 8.3: A 67 GLN : amide:sc= 1.05 K(o=3,f=-3.3!) USER MOD Single : A 7 THR OG1 : rot 86:sc= 1.27 USER MOD Single : A 12 SER OG : rot 64:sc= 1.19 USER MOD Single : A 15 THR OG1 : rot 133:sc= 1.25 USER MOD Single : A 18 THR OG1 : rot 161:sc= 1.24 USER MOD Single : A 19 THR OG1 : rot -97:sc= 1.13 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0.435 USER MOD Single : A 34 SER OG : rot 60:sc= 1.32 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HE2:sc= 1.09 K(o=1.1,f=-4.5!) USER MOD Single : A 51 LYS NZ :NH3+ -176:sc= -0.02 (180deg=-0.0466) USER MOD Single : A 59 LYS NZ :NH3+ -156:sc= 0.925 (180deg=0.649) USER MOD Single : A 60 MET CE :methyl -165:sc= -0.0419 (180deg=-0.328) USER MOD Single : A 61 LYS NZ :NH3+ -159:sc= 0.464 (180deg=-0.149) USER MOD Single : A 62 SER OG : rot -90:sc= 0.987 USER MOD Single : A 66 ASN : amide:sc= -0.0702 X(o=-0.07,f=-0.07) USER MOD Single : A 69 SER OG : rot -63:sc= 1.27 USER MOD Single : A 72 LYS NZ :NH3+ -146:sc= 1.66 (180deg=-4.78!) USER MOD Single : A 76 TYR OH : rot 165:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -170:sc= 0.966 (180deg=0.852) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -162:sc= 0.973 (180deg=-0.865!) USER MOD Single : A 94 LYS NZ :NH3+ 179:sc= 1.91 (180deg=1.89) USER MOD Single : B 12 SER OG : rot 64:sc= 0.845 USER MOD Single : B 15 THR OG1 : rot 81:sc= 1.16 USER MOD Single : B 18 THR OG1 : rot 180:sc= 0 USER MOD Single : B 19 THR OG1 : rot 80:sc= 1.22 USER MOD Single : B 22 THR OG1 : rot 180:sc= 0 USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot 160:sc= 0.322 USER MOD Single : B 34 SER OG : rot 180:sc= 0.474 USER MOD Single : B 43 THR OG1 : rot 66:sc= 1.17 USER MOD Single : B 55 SER OG : rot -139:sc= 0 USER MOD Single : B 59 LYS NZ :NH3+ -175:sc= 0.376 (180deg=0.251) USER MOD Single : B 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 61 LYS NZ :NH3+ -103:sc= 2.25 (180deg=0.113) USER MOD Single : B 62 SER OG : rot -29:sc= 0.0339 USER MOD Single : B 67 GLN : amide:sc= -0.365 K(o=-0.36,f=-4.1!) USER MOD Single : B 72 LYS NZ :NH3+ 178:sc= 0.0463 (180deg=-0.0569) USER MOD Single : B 74 ASN : amide:sc= 0.939 K(o=0.94,f=-3.6!) USER MOD Single : B 76 TYR OH : rot 30:sc= 0 USER MOD Single : B 89 LYS NZ :NH3+ 175:sc= 2.13 (180deg=1.65) USER MOD Single : B 90 LYS NZ :NH3+ -134:sc= 1.22 (180deg=0.0709) USER MOD Single : B 91 LYS NZ :NH3+ -136:sc= 1.1 (180deg=0.41) USER MOD Single : B 94 LYS NZ :NH3+ 145:sc= 0.642 (180deg=-1.99!) USER MOD ----------------------------------------------------------------- ATOM 40 N GLU A 4 -13.457 -14.842 8.211 1.00 2.19 N ATOM 41 CA GLU A 4 -14.205 -13.750 7.605 1.00 2.06 C ATOM 42 C GLU A 4 -13.979 -13.795 6.089 1.00 1.96 C ATOM 43 O GLU A 4 -12.888 -14.171 5.660 1.00 1.85 O ATOM 44 CB GLU A 4 -13.772 -12.401 8.207 1.00 1.91 C ATOM 45 CG GLU A 4 -12.563 -12.433 9.151 1.00 2.63 C ATOM 46 CD GLU A 4 -12.858 -13.011 10.530 1.00 4.28 C ATOM 47 OE1 GLU A 4 -14.025 -13.030 10.956 1.00 4.98 O ATOM 48 OE2 GLU A 4 -11.877 -13.458 11.167 1.00 5.31 O ATOM 0 HA GLU A 4 -15.270 -13.859 7.810 1.00 2.06 H new ATOM 0 HB2 GLU A 4 -13.548 -11.717 7.388 1.00 1.91 H new ATOM 0 HB3 GLU A 4 -14.619 -11.981 8.750 1.00 1.91 H new ATOM 0 HG2 GLU A 4 -11.770 -13.019 8.687 1.00 2.63 H new ATOM 0 HG3 GLU A 4 -12.182 -11.418 9.269 1.00 2.63 H new ATOM 55 N PRO A 5 -14.969 -13.414 5.261 1.00 2.13 N ATOM 56 CA PRO A 5 -14.869 -13.490 3.814 1.00 2.14 C ATOM 57 C PRO A 5 -14.102 -12.268 3.301 1.00 1.78 C ATOM 58 O PRO A 5 -14.624 -11.489 2.507 1.00 1.87 O ATOM 59 CB PRO A 5 -16.325 -13.508 3.338 1.00 2.51 C ATOM 60 CG PRO A 5 -17.003 -12.568 4.335 1.00 2.52 C ATOM 61 CD PRO A 5 -16.259 -12.859 5.641 1.00 2.40 C ATOM 0 HA PRO A 5 -14.329 -14.364 3.449 1.00 2.14 H new ATOM 0 HB2 PRO A 5 -16.422 -13.152 2.312 1.00 2.51 H new ATOM 0 HB3 PRO A 5 -16.751 -14.511 3.369 1.00 2.51 H new ATOM 0 HG2 PRO A 5 -16.904 -11.524 4.038 1.00 2.52 H new ATOM 0 HG3 PRO A 5 -18.070 -12.774 4.423 1.00 2.52 H new ATOM 0 HD2 PRO A 5 -16.133 -11.949 6.228 1.00 2.40 H new ATOM 0 HD3 PRO A 5 -16.818 -13.562 6.259 1.00 2.40 H new ATOM 69 N LEU A 6 -12.866 -12.095 3.770 1.00 1.46 N ATOM 70 CA LEU A 6 -12.089 -10.899 3.482 1.00 1.18 C ATOM 71 C LEU A 6 -11.440 -11.006 2.097 1.00 1.07 C ATOM 72 O LEU A 6 -10.956 -12.066 1.703 1.00 1.67 O ATOM 73 CB LEU A 6 -11.084 -10.644 4.618 1.00 1.20 C ATOM 74 CG LEU A 6 -10.065 -11.775 4.862 1.00 1.22 C ATOM 75 CD1 LEU A 6 -8.743 -11.504 4.140 1.00 1.82 C ATOM 76 CD2 LEU A 6 -9.776 -11.895 6.362 1.00 2.11 C ATOM 0 H LEU A 6 -12.382 -12.776 4.355 1.00 1.46 H new ATOM 0 HA LEU A 6 -12.741 -10.027 3.442 1.00 1.18 H new ATOM 0 HB2 LEU A 6 -10.538 -9.726 4.399 1.00 1.20 H new ATOM 0 HB3 LEU A 6 -11.639 -10.472 5.540 1.00 1.20 H new ATOM 0 HG LEU A 6 -10.499 -12.697 4.475 1.00 1.22 H new ATOM 0 HD11 LEU A 6 -8.048 -12.321 4.334 1.00 1.82 H new ATOM 0 HD12 LEU A 6 -8.923 -11.428 3.068 1.00 1.82 H new ATOM 0 HD13 LEU A 6 -8.315 -10.570 4.503 1.00 1.82 H new ATOM 0 HD21 LEU A 6 -9.055 -12.695 6.531 1.00 2.11 H new ATOM 0 HD22 LEU A 6 -9.366 -10.954 6.730 1.00 2.11 H new ATOM 0 HD23 LEU A 6 -10.700 -12.121 6.894 1.00 2.11 H new ATOM 88 N THR A 7 -11.490 -9.907 1.346 1.00 0.84 N ATOM 89 CA THR A 7 -11.095 -9.807 -0.052 1.00 0.89 C ATOM 90 C THR A 7 -9.581 -9.573 -0.160 1.00 0.79 C ATOM 91 O THR A 7 -8.945 -9.134 0.796 1.00 0.84 O ATOM 92 CB THR A 7 -11.908 -8.666 -0.702 1.00 1.20 C ATOM 93 OG1 THR A 7 -13.225 -8.628 -0.179 1.00 1.71 O ATOM 94 CG2 THR A 7 -12.020 -8.824 -2.221 1.00 1.45 C ATOM 0 H THR A 7 -11.825 -9.018 1.718 1.00 0.84 H new ATOM 0 HA THR A 7 -11.307 -10.736 -0.581 1.00 0.89 H new ATOM 0 HB THR A 7 -11.371 -7.746 -0.474 1.00 1.20 H new ATOM 0 HG1 THR A 7 -13.235 -8.094 0.643 1.00 1.71 H new ATOM 0 HG21 THR A 7 -12.600 -7.997 -2.631 1.00 1.45 H new ATOM 0 HG22 THR A 7 -11.023 -8.821 -2.662 1.00 1.45 H new ATOM 0 HG23 THR A 7 -12.516 -9.766 -2.453 1.00 1.45 H new ATOM 102 N GLU A 8 -8.988 -9.836 -1.325 1.00 0.86 N ATOM 103 CA GLU A 8 -7.553 -9.733 -1.550 1.00 0.83 C ATOM 104 C GLU A 8 -7.042 -8.316 -1.262 1.00 0.77 C ATOM 105 O GLU A 8 -5.993 -8.122 -0.649 1.00 0.76 O ATOM 106 CB GLU A 8 -7.218 -10.165 -2.989 1.00 0.92 C ATOM 107 CG GLU A 8 -7.671 -11.599 -3.327 1.00 1.10 C ATOM 108 CD GLU A 8 -9.101 -11.721 -3.854 1.00 2.02 C ATOM 109 OE1 GLU A 8 -9.877 -10.759 -3.655 1.00 3.40 O ATOM 110 OE2 GLU A 8 -9.398 -12.784 -4.435 1.00 2.51 O ATOM 0 H GLU A 8 -9.505 -10.132 -2.153 1.00 0.86 H new ATOM 0 HA GLU A 8 -7.044 -10.403 -0.857 1.00 0.83 H new ATOM 0 HB2 GLU A 8 -7.688 -9.471 -3.686 1.00 0.92 H new ATOM 0 HB3 GLU A 8 -6.141 -10.088 -3.141 1.00 0.92 H new ATOM 0 HG2 GLU A 8 -6.990 -12.013 -4.071 1.00 1.10 H new ATOM 0 HG3 GLU A 8 -7.577 -12.214 -2.432 1.00 1.10 H new ATOM 117 N LEU A 9 -7.776 -7.291 -1.707 1.00 0.77 N ATOM 118 CA LEU A 9 -7.307 -5.926 -1.521 1.00 0.75 C ATOM 119 C LEU A 9 -7.342 -5.571 -0.031 1.00 0.77 C ATOM 120 O LEU A 9 -6.341 -5.107 0.522 1.00 0.82 O ATOM 121 CB LEU A 9 -8.125 -4.954 -2.379 1.00 0.80 C ATOM 122 CG LEU A 9 -7.895 -5.054 -3.903 1.00 0.78 C ATOM 123 CD1 LEU A 9 -6.448 -4.737 -4.293 1.00 1.91 C ATOM 124 CD2 LEU A 9 -8.296 -6.404 -4.515 1.00 1.66 C ATOM 0 H LEU A 9 -8.672 -7.381 -2.185 1.00 0.77 H new ATOM 0 HA LEU A 9 -6.273 -5.841 -1.856 1.00 0.75 H new ATOM 0 HB2 LEU A 9 -9.183 -5.121 -2.177 1.00 0.80 H new ATOM 0 HB3 LEU A 9 -7.897 -3.937 -2.061 1.00 0.80 H new ATOM 0 HG LEU A 9 -8.561 -4.297 -4.318 1.00 0.78 H new ATOM 0 HD11 LEU A 9 -6.336 -4.821 -5.374 1.00 1.91 H new ATOM 0 HD12 LEU A 9 -6.201 -3.723 -3.980 1.00 1.91 H new ATOM 0 HD13 LEU A 9 -5.776 -5.442 -3.803 1.00 1.91 H new ATOM 0 HD21 LEU A 9 -8.102 -6.389 -5.588 1.00 1.66 H new ATOM 0 HD22 LEU A 9 -7.714 -7.201 -4.052 1.00 1.66 H new ATOM 0 HD23 LEU A 9 -9.357 -6.582 -4.341 1.00 1.66 H new ATOM 136 N GLU A 10 -8.477 -5.808 0.636 1.00 0.76 N ATOM 137 CA GLU A 10 -8.600 -5.514 2.056 1.00 0.83 C ATOM 138 C GLU A 10 -7.616 -6.345 2.886 1.00 0.83 C ATOM 139 O GLU A 10 -7.047 -5.820 3.837 1.00 0.94 O ATOM 140 CB GLU A 10 -10.057 -5.570 2.522 1.00 1.14 C ATOM 141 CG GLU A 10 -10.659 -6.967 2.599 1.00 1.55 C ATOM 142 CD GLU A 10 -12.151 -6.917 2.899 1.00 2.77 C ATOM 143 OE1 GLU A 10 -12.565 -6.037 3.688 1.00 3.15 O ATOM 144 OE2 GLU A 10 -12.850 -7.777 2.320 1.00 4.27 O ATOM 0 H GLU A 10 -9.317 -6.201 0.211 1.00 0.76 H new ATOM 0 HA GLU A 10 -8.302 -4.480 2.228 1.00 0.83 H new ATOM 0 HB2 GLU A 10 -10.125 -5.107 3.507 1.00 1.14 H new ATOM 0 HB3 GLU A 10 -10.662 -4.968 1.844 1.00 1.14 H new ATOM 0 HG2 GLU A 10 -10.494 -7.488 1.656 1.00 1.55 H new ATOM 0 HG3 GLU A 10 -10.150 -7.541 3.373 1.00 1.55 H new ATOM 151 N GLU A 11 -7.344 -7.593 2.489 1.00 0.81 N ATOM 152 CA GLU A 11 -6.235 -8.372 3.028 1.00 0.82 C ATOM 153 C GLU A 11 -4.936 -7.578 2.910 1.00 0.79 C ATOM 154 O GLU A 11 -4.249 -7.371 3.907 1.00 0.90 O ATOM 155 CB GLU A 11 -6.138 -9.730 2.314 1.00 0.86 C ATOM 156 CG GLU A 11 -4.975 -10.608 2.804 1.00 1.14 C ATOM 157 CD GLU A 11 -3.676 -10.311 2.059 1.00 2.84 C ATOM 158 OE1 GLU A 11 -3.620 -10.667 0.864 1.00 3.41 O ATOM 159 OE2 GLU A 11 -2.772 -9.722 2.690 1.00 4.20 O ATOM 0 H GLU A 11 -7.890 -8.088 1.784 1.00 0.81 H new ATOM 0 HA GLU A 11 -6.413 -8.570 4.085 1.00 0.82 H new ATOM 0 HB2 GLU A 11 -7.074 -10.271 2.455 1.00 0.86 H new ATOM 0 HB3 GLU A 11 -6.026 -9.560 1.243 1.00 0.86 H new ATOM 0 HG2 GLU A 11 -4.825 -10.447 3.872 1.00 1.14 H new ATOM 0 HG3 GLU A 11 -5.235 -11.659 2.674 1.00 1.14 H new ATOM 166 N SER A 12 -4.619 -7.086 1.705 1.00 0.71 N ATOM 167 CA SER A 12 -3.319 -6.470 1.457 1.00 0.68 C ATOM 168 C SER A 12 -3.130 -5.303 2.425 1.00 0.60 C ATOM 169 O SER A 12 -2.062 -5.092 2.997 1.00 0.64 O ATOM 170 CB SER A 12 -3.226 -5.986 0.006 1.00 0.76 C ATOM 171 OG SER A 12 -3.467 -7.030 -0.917 1.00 1.83 O ATOM 0 H SER A 12 -5.241 -7.104 0.897 1.00 0.71 H new ATOM 0 HA SER A 12 -2.530 -7.205 1.617 1.00 0.68 H new ATOM 0 HB2 SER A 12 -3.947 -5.185 -0.156 1.00 0.76 H new ATOM 0 HB3 SER A 12 -2.237 -5.565 -0.173 1.00 0.76 H new ATOM 0 HG SER A 12 -4.387 -7.352 -0.814 1.00 1.83 H new ATOM 177 N ILE A 13 -4.209 -4.544 2.608 1.00 0.56 N ATOM 178 CA ILE A 13 -4.259 -3.430 3.531 1.00 0.50 C ATOM 179 C ILE A 13 -4.100 -3.910 4.970 1.00 0.47 C ATOM 180 O ILE A 13 -3.273 -3.372 5.711 1.00 0.46 O ATOM 181 CB ILE A 13 -5.596 -2.715 3.323 1.00 0.53 C ATOM 182 CG1 ILE A 13 -5.542 -2.026 1.952 1.00 0.78 C ATOM 183 CG2 ILE A 13 -5.941 -1.655 4.382 1.00 0.56 C ATOM 184 CD1 ILE A 13 -6.928 -1.857 1.368 1.00 0.64 C ATOM 0 H ILE A 13 -5.084 -4.695 2.106 1.00 0.56 H new ATOM 0 HA ILE A 13 -3.437 -2.740 3.341 1.00 0.50 H new ATOM 0 HB ILE A 13 -6.372 -3.476 3.400 1.00 0.53 H new ATOM 0 HG12 ILE A 13 -5.065 -1.051 2.051 1.00 0.78 H new ATOM 0 HG13 ILE A 13 -4.927 -2.614 1.271 1.00 0.78 H new ATOM 0 HG21 ILE A 13 -6.906 -1.206 4.147 1.00 0.56 H new ATOM 0 HG22 ILE A 13 -5.989 -2.125 5.365 1.00 0.56 H new ATOM 0 HG23 ILE A 13 -5.173 -0.882 4.387 1.00 0.56 H new ATOM 0 HD11 ILE A 13 -6.856 -1.366 0.397 1.00 0.64 H new ATOM 0 HD12 ILE A 13 -7.393 -2.835 1.247 1.00 0.64 H new ATOM 0 HD13 ILE A 13 -7.534 -1.248 2.039 1.00 0.64 H new ATOM 196 N GLU A 14 -4.935 -4.866 5.386 1.00 0.51 N ATOM 197 CA GLU A 14 -4.989 -5.293 6.771 1.00 0.62 C ATOM 198 C GLU A 14 -3.609 -5.802 7.196 1.00 0.63 C ATOM 199 O GLU A 14 -3.068 -5.372 8.211 1.00 0.66 O ATOM 200 CB GLU A 14 -6.198 -6.193 7.049 1.00 0.90 C ATOM 201 CG GLU A 14 -6.011 -7.701 6.958 1.00 1.23 C ATOM 202 CD GLU A 14 -5.643 -8.298 8.321 1.00 2.26 C ATOM 203 OE1 GLU A 14 -4.552 -7.958 8.833 1.00 2.88 O ATOM 204 OE2 GLU A 14 -6.503 -9.024 8.868 1.00 3.16 O ATOM 0 H GLU A 14 -5.584 -5.357 4.772 1.00 0.51 H new ATOM 0 HA GLU A 14 -5.190 -4.454 7.437 1.00 0.62 H new ATOM 0 HB2 GLU A 14 -6.560 -5.963 8.051 1.00 0.90 H new ATOM 0 HB3 GLU A 14 -6.988 -5.913 6.352 1.00 0.90 H new ATOM 0 HG2 GLU A 14 -6.928 -8.162 6.592 1.00 1.23 H new ATOM 0 HG3 GLU A 14 -5.228 -7.930 6.235 1.00 1.23 H new ATOM 211 N THR A 15 -2.984 -6.589 6.322 1.00 0.67 N ATOM 212 CA THR A 15 -1.620 -7.069 6.450 1.00 0.70 C ATOM 213 C THR A 15 -0.657 -5.930 6.795 1.00 0.66 C ATOM 214 O THR A 15 0.126 -6.072 7.728 1.00 0.71 O ATOM 215 CB THR A 15 -1.241 -7.849 5.183 1.00 0.77 C ATOM 216 OG1 THR A 15 -2.083 -8.982 5.130 1.00 0.91 O ATOM 217 CG2 THR A 15 0.214 -8.330 5.199 1.00 0.81 C ATOM 0 H THR A 15 -3.439 -6.920 5.471 1.00 0.67 H new ATOM 0 HA THR A 15 -1.542 -7.760 7.289 1.00 0.70 H new ATOM 0 HB THR A 15 -1.356 -7.192 4.321 1.00 0.77 H new ATOM 0 HG1 THR A 15 -2.460 -9.068 4.229 1.00 0.91 H new ATOM 0 HG21 THR A 15 0.427 -8.875 4.280 1.00 0.81 H new ATOM 0 HG22 THR A 15 0.880 -7.471 5.274 1.00 0.81 H new ATOM 0 HG23 THR A 15 0.371 -8.987 6.055 1.00 0.81 H new ATOM 225 N VAL A 16 -0.715 -4.776 6.120 1.00 0.65 N ATOM 226 CA VAL A 16 0.146 -3.656 6.471 1.00 0.66 C ATOM 227 C VAL A 16 -0.127 -3.208 7.909 1.00 0.68 C ATOM 228 O VAL A 16 0.780 -3.172 8.747 1.00 0.77 O ATOM 229 CB VAL A 16 -0.054 -2.496 5.480 1.00 0.68 C ATOM 230 CG1 VAL A 16 0.684 -1.257 5.979 1.00 0.73 C ATOM 231 CG2 VAL A 16 0.476 -2.854 4.094 1.00 0.70 C ATOM 0 H VAL A 16 -1.344 -4.600 5.337 1.00 0.65 H new ATOM 0 HA VAL A 16 1.186 -3.976 6.408 1.00 0.66 H new ATOM 0 HB VAL A 16 -1.124 -2.299 5.410 1.00 0.68 H new ATOM 0 HG11 VAL A 16 0.539 -0.439 5.274 1.00 0.73 H new ATOM 0 HG12 VAL A 16 0.293 -0.969 6.955 1.00 0.73 H new ATOM 0 HG13 VAL A 16 1.748 -1.477 6.065 1.00 0.73 H new ATOM 0 HG21 VAL A 16 0.320 -2.014 3.417 1.00 0.70 H new ATOM 0 HG22 VAL A 16 1.541 -3.076 4.158 1.00 0.70 H new ATOM 0 HG23 VAL A 16 -0.054 -3.728 3.716 1.00 0.70 H new ATOM 241 N VAL A 17 -1.373 -2.814 8.188 1.00 0.62 N ATOM 242 CA VAL A 17 -1.749 -2.233 9.476 1.00 0.66 C ATOM 243 C VAL A 17 -1.450 -3.203 10.633 1.00 0.73 C ATOM 244 O VAL A 17 -1.063 -2.769 11.724 1.00 0.86 O ATOM 245 CB VAL A 17 -3.185 -1.670 9.436 1.00 0.59 C ATOM 246 CG1 VAL A 17 -3.283 -0.530 8.413 1.00 0.62 C ATOM 247 CG2 VAL A 17 -4.237 -2.724 9.092 1.00 0.55 C ATOM 0 H VAL A 17 -2.147 -2.889 7.527 1.00 0.62 H new ATOM 0 HA VAL A 17 -1.121 -1.365 9.679 1.00 0.66 H new ATOM 0 HB VAL A 17 -3.393 -1.307 10.443 1.00 0.59 H new ATOM 0 HG11 VAL A 17 -4.302 -0.143 8.396 1.00 0.62 H new ATOM 0 HG12 VAL A 17 -2.596 0.269 8.692 1.00 0.62 H new ATOM 0 HG13 VAL A 17 -3.021 -0.905 7.424 1.00 0.62 H new ATOM 0 HG21 VAL A 17 -5.224 -2.262 9.081 1.00 0.55 H new ATOM 0 HG22 VAL A 17 -4.022 -3.146 8.110 1.00 0.55 H new ATOM 0 HG23 VAL A 17 -4.216 -3.517 9.840 1.00 0.55 H new ATOM 257 N THR A 18 -1.573 -4.502 10.365 1.00 0.69 N ATOM 258 CA THR A 18 -1.147 -5.604 11.207 1.00 0.82 C ATOM 259 C THR A 18 0.377 -5.598 11.374 1.00 0.84 C ATOM 260 O THR A 18 0.868 -5.534 12.499 1.00 0.88 O ATOM 261 CB THR A 18 -1.680 -6.911 10.590 1.00 0.86 C ATOM 262 OG1 THR A 18 -3.073 -6.980 10.831 1.00 1.94 O ATOM 263 CG2 THR A 18 -0.989 -8.158 11.142 1.00 1.32 C ATOM 0 H THR A 18 -2.001 -4.827 9.498 1.00 0.69 H new ATOM 0 HA THR A 18 -1.556 -5.506 12.213 1.00 0.82 H new ATOM 0 HB THR A 18 -1.466 -6.893 9.521 1.00 0.86 H new ATOM 0 HG1 THR A 18 -3.481 -7.619 10.210 1.00 1.94 H new ATOM 0 HG21 THR A 18 -1.408 -9.046 10.669 1.00 1.32 H new ATOM 0 HG22 THR A 18 0.079 -8.105 10.932 1.00 1.32 H new ATOM 0 HG23 THR A 18 -1.145 -8.213 12.219 1.00 1.32 H new ATOM 271 N THR A 19 1.139 -5.668 10.281 1.00 0.87 N ATOM 272 CA THR A 19 2.583 -5.859 10.341 1.00 1.04 C ATOM 273 C THR A 19 3.255 -4.675 11.040 1.00 0.89 C ATOM 274 O THR A 19 4.188 -4.891 11.811 1.00 1.01 O ATOM 275 CB THR A 19 3.138 -6.174 8.942 1.00 1.24 C ATOM 276 OG1 THR A 19 2.923 -7.541 8.622 1.00 1.90 O ATOM 277 CG2 THR A 19 4.621 -5.831 8.767 1.00 1.21 C ATOM 0 H THR A 19 0.770 -5.594 9.333 1.00 0.87 H new ATOM 0 HA THR A 19 2.820 -6.728 10.955 1.00 1.04 H new ATOM 0 HB THR A 19 2.589 -5.531 8.255 1.00 1.24 H new ATOM 0 HG1 THR A 19 3.734 -8.055 8.819 1.00 1.90 H new ATOM 0 HG21 THR A 19 4.936 -6.083 7.754 1.00 1.21 H new ATOM 0 HG22 THR A 19 4.771 -4.765 8.939 1.00 1.21 H new ATOM 0 HG23 THR A 19 5.213 -6.401 9.483 1.00 1.21 H new ATOM 285 N PHE A 20 2.764 -3.440 10.857 1.00 0.78 N ATOM 286 CA PHE A 20 3.206 -2.312 11.678 1.00 0.79 C ATOM 287 C PHE A 20 3.218 -2.619 13.178 1.00 0.83 C ATOM 288 O PHE A 20 4.003 -2.024 13.911 1.00 0.92 O ATOM 289 CB PHE A 20 2.287 -1.109 11.487 1.00 0.83 C ATOM 290 CG PHE A 20 2.620 -0.199 10.335 1.00 0.77 C ATOM 291 CD1 PHE A 20 3.730 0.657 10.445 1.00 2.34 C ATOM 292 CD2 PHE A 20 1.713 -0.043 9.275 1.00 1.93 C ATOM 293 CE1 PHE A 20 3.937 1.653 9.483 1.00 2.55 C ATOM 294 CE2 PHE A 20 1.877 1.005 8.359 1.00 1.71 C ATOM 295 CZ PHE A 20 2.979 1.859 8.481 1.00 0.92 C ATOM 0 H PHE A 20 2.066 -3.202 10.152 1.00 0.78 H new ATOM 0 HA PHE A 20 4.223 -2.105 11.345 1.00 0.79 H new ATOM 0 HB2 PHE A 20 1.268 -1.473 11.354 1.00 0.83 H new ATOM 0 HB3 PHE A 20 2.298 -0.520 12.404 1.00 0.83 H new ATOM 0 HD1 PHE A 20 4.420 0.547 11.268 1.00 2.34 H new ATOM 0 HD2 PHE A 20 0.888 -0.731 9.165 1.00 1.93 H new ATOM 0 HE1 PHE A 20 4.830 2.259 9.513 1.00 2.55 H new ATOM 0 HE2 PHE A 20 1.159 1.152 7.566 1.00 1.71 H new ATOM 0 HZ PHE A 20 3.092 2.686 7.796 1.00 0.92 H new ATOM 305 N PHE A 21 2.302 -3.459 13.665 1.00 0.89 N ATOM 306 CA PHE A 21 2.288 -3.824 15.073 1.00 1.03 C ATOM 307 C PHE A 21 3.604 -4.542 15.396 1.00 1.23 C ATOM 308 O PHE A 21 4.312 -4.177 16.332 1.00 1.53 O ATOM 309 CB PHE A 21 1.038 -4.666 15.393 1.00 1.10 C ATOM 310 CG PHE A 21 0.385 -4.458 16.753 1.00 1.31 C ATOM 311 CD1 PHE A 21 1.112 -3.966 17.856 1.00 2.33 C ATOM 312 CD2 PHE A 21 -0.955 -4.858 16.930 1.00 2.43 C ATOM 313 CE1 PHE A 21 0.486 -3.829 19.107 1.00 2.79 C ATOM 314 CE2 PHE A 21 -1.562 -4.773 18.195 1.00 3.02 C ATOM 315 CZ PHE A 21 -0.848 -4.235 19.280 1.00 2.70 C ATOM 0 H PHE A 21 1.568 -3.893 13.106 1.00 0.89 H new ATOM 0 HA PHE A 21 2.223 -2.941 15.709 1.00 1.03 H new ATOM 0 HB2 PHE A 21 0.290 -4.465 14.626 1.00 1.10 H new ATOM 0 HB3 PHE A 21 1.309 -5.718 15.306 1.00 1.10 H new ATOM 0 HD1 PHE A 21 2.151 -3.694 17.740 1.00 2.33 H new ATOM 0 HD2 PHE A 21 -1.519 -5.232 16.088 1.00 2.43 H new ATOM 0 HE1 PHE A 21 1.033 -3.410 19.939 1.00 2.79 H new ATOM 0 HE2 PHE A 21 -2.575 -5.120 18.333 1.00 3.02 H new ATOM 0 HZ PHE A 21 -1.324 -4.134 20.244 1.00 2.70 H new ATOM 325 N THR A 22 3.968 -5.516 14.564 1.00 1.29 N ATOM 326 CA THR A 22 5.194 -6.286 14.684 1.00 1.73 C ATOM 327 C THR A 22 6.348 -5.530 14.009 1.00 2.17 C ATOM 328 O THR A 22 6.987 -6.046 13.095 1.00 2.57 O ATOM 329 CB THR A 22 4.953 -7.667 14.044 1.00 2.06 C ATOM 330 OG1 THR A 22 3.664 -8.134 14.402 1.00 2.25 O ATOM 331 CG2 THR A 22 5.986 -8.698 14.510 1.00 3.23 C ATOM 0 H THR A 22 3.398 -5.796 13.766 1.00 1.29 H new ATOM 0 HA THR A 22 5.471 -6.427 15.729 1.00 1.73 H new ATOM 0 HB THR A 22 5.041 -7.549 12.964 1.00 2.06 H new ATOM 0 HG1 THR A 22 3.509 -9.011 13.994 1.00 2.25 H new ATOM 0 HG21 THR A 22 5.781 -9.658 14.036 1.00 3.23 H new ATOM 0 HG22 THR A 22 6.985 -8.362 14.233 1.00 3.23 H new ATOM 0 HG23 THR A 22 5.927 -8.808 15.593 1.00 3.23 H new ATOM 478 N ASP A 31 2.801 4.483 15.675 1.00 1.33 N ATOM 479 CA ASP A 31 2.004 4.385 14.457 1.00 1.23 C ATOM 480 C ASP A 31 2.888 3.795 13.357 1.00 1.21 C ATOM 481 O ASP A 31 2.730 2.628 12.994 1.00 1.69 O ATOM 482 CB ASP A 31 1.393 5.723 14.012 1.00 1.32 C ATOM 483 CG ASP A 31 0.649 5.528 12.698 1.00 1.76 C ATOM 484 OD1 ASP A 31 0.211 4.386 12.446 1.00 2.82 O ATOM 485 OD2 ASP A 31 0.533 6.507 11.935 1.00 2.65 O ATOM 0 HA ASP A 31 1.151 3.737 14.661 1.00 1.23 H new ATOM 0 HB2 ASP A 31 0.711 6.096 14.776 1.00 1.32 H new ATOM 0 HB3 ASP A 31 2.177 6.471 13.891 1.00 1.32 H new ATOM 490 N SER A 32 3.835 4.614 12.890 1.00 1.01 N ATOM 491 CA SER A 32 4.963 4.258 12.045 1.00 0.97 C ATOM 492 C SER A 32 6.237 4.722 12.768 1.00 0.93 C ATOM 493 O SER A 32 6.211 4.937 13.982 1.00 1.04 O ATOM 494 CB SER A 32 4.797 4.917 10.665 1.00 1.01 C ATOM 495 OG SER A 32 5.806 4.510 9.756 1.00 1.75 O ATOM 0 H SER A 32 3.827 5.610 13.111 1.00 1.01 H new ATOM 0 HA SER A 32 5.023 3.183 11.875 1.00 0.97 H new ATOM 0 HB2 SER A 32 3.818 4.663 10.258 1.00 1.01 H new ATOM 0 HB3 SER A 32 4.825 6.001 10.775 1.00 1.01 H new ATOM 0 HG SER A 32 5.664 4.949 8.891 1.00 1.75 H new ATOM 501 N LEU A 33 7.337 4.857 12.024 1.00 0.92 N ATOM 502 CA LEU A 33 8.671 5.174 12.529 1.00 0.93 C ATOM 503 C LEU A 33 8.998 6.652 12.249 1.00 0.86 C ATOM 504 O LEU A 33 8.085 7.458 12.072 1.00 1.01 O ATOM 505 CB LEU A 33 9.695 4.229 11.872 1.00 1.05 C ATOM 506 CG LEU A 33 9.428 2.718 11.976 1.00 1.04 C ATOM 507 CD1 LEU A 33 8.973 2.270 13.370 1.00 1.34 C ATOM 508 CD2 LEU A 33 8.479 2.213 10.885 1.00 1.02 C ATOM 0 H LEU A 33 7.320 4.743 11.011 1.00 0.92 H new ATOM 0 HA LEU A 33 8.712 5.027 13.608 1.00 0.93 H new ATOM 0 HB2 LEU A 33 9.763 4.488 10.815 1.00 1.05 H new ATOM 0 HB3 LEU A 33 10.671 4.430 12.313 1.00 1.05 H new ATOM 0 HG LEU A 33 10.397 2.248 11.807 1.00 1.04 H new ATOM 0 HD11 LEU A 33 8.803 1.193 13.369 1.00 1.34 H new ATOM 0 HD12 LEU A 33 9.744 2.515 14.101 1.00 1.34 H new ATOM 0 HD13 LEU A 33 8.048 2.783 13.633 1.00 1.34 H new ATOM 0 HD21 LEU A 33 8.325 1.141 11.005 1.00 1.02 H new ATOM 0 HD22 LEU A 33 7.522 2.729 10.968 1.00 1.02 H new ATOM 0 HD23 LEU A 33 8.914 2.410 9.905 1.00 1.02 H new ATOM 520 N SER A 34 10.285 7.016 12.183 1.00 0.77 N ATOM 521 CA SER A 34 10.741 8.282 11.615 1.00 0.70 C ATOM 522 C SER A 34 10.904 8.141 10.097 1.00 0.61 C ATOM 523 O SER A 34 10.749 7.056 9.535 1.00 0.60 O ATOM 524 CB SER A 34 12.019 8.762 12.320 1.00 0.82 C ATOM 525 OG SER A 34 12.474 9.992 11.783 1.00 2.79 O ATOM 0 H SER A 34 11.045 6.429 12.528 1.00 0.77 H new ATOM 0 HA SER A 34 9.992 9.055 11.785 1.00 0.70 H new ATOM 0 HB2 SER A 34 11.827 8.878 13.387 1.00 0.82 H new ATOM 0 HB3 SER A 34 12.799 8.007 12.217 1.00 0.82 H new ATOM 0 HG SER A 34 11.780 10.675 11.896 1.00 2.79 H new ATOM 531 N VAL A 35 11.178 9.255 9.420 1.00 0.69 N ATOM 532 CA VAL A 35 11.003 9.363 7.978 1.00 0.60 C ATOM 533 C VAL A 35 12.155 8.687 7.222 1.00 0.62 C ATOM 534 O VAL A 35 11.950 7.729 6.474 1.00 0.60 O ATOM 535 CB VAL A 35 10.873 10.845 7.595 1.00 0.75 C ATOM 536 CG1 VAL A 35 10.467 10.984 6.133 1.00 0.81 C ATOM 537 CG2 VAL A 35 9.822 11.586 8.435 1.00 0.98 C ATOM 0 H VAL A 35 11.528 10.107 9.859 1.00 0.69 H new ATOM 0 HA VAL A 35 10.091 8.841 7.690 1.00 0.60 H new ATOM 0 HB VAL A 35 11.852 11.287 7.780 1.00 0.75 H new ATOM 0 HG11 VAL A 35 10.379 12.040 5.879 1.00 0.81 H new ATOM 0 HG12 VAL A 35 11.223 10.520 5.500 1.00 0.81 H new ATOM 0 HG13 VAL A 35 9.508 10.492 5.973 1.00 0.81 H new ATOM 0 HG21 VAL A 35 9.774 12.628 8.120 1.00 0.98 H new ATOM 0 HG22 VAL A 35 8.847 11.119 8.293 1.00 0.98 H new ATOM 0 HG23 VAL A 35 10.098 11.537 9.488 1.00 0.98 H new ATOM 547 N ASN A 36 13.387 9.175 7.411 1.00 0.87 N ATOM 548 CA ASN A 36 14.549 8.559 6.776 1.00 1.07 C ATOM 549 C ASN A 36 14.675 7.122 7.288 1.00 0.89 C ATOM 550 O ASN A 36 14.903 6.201 6.508 1.00 0.85 O ATOM 551 CB ASN A 36 15.859 9.331 7.034 1.00 1.51 C ATOM 552 CG ASN A 36 16.677 9.476 5.748 1.00 2.68 C ATOM 553 OD1 ASN A 36 17.223 8.509 5.214 1.00 3.40 O ATOM 554 ND2 ASN A 36 16.756 10.691 5.211 1.00 3.12 N ATOM 0 H ASN A 36 13.600 9.986 7.992 1.00 0.87 H new ATOM 0 HA ASN A 36 14.392 8.578 5.697 1.00 1.07 H new ATOM 0 HB2 ASN A 36 15.630 10.318 7.436 1.00 1.51 H new ATOM 0 HB3 ASN A 36 16.450 8.809 7.787 1.00 1.51 H new ATOM 0 HD21 ASN A 36 17.275 10.833 4.344 1.00 3.12 H new ATOM 0 HD22 ASN A 36 16.298 11.481 5.666 1.00 3.12 H new ATOM 561 N GLU A 37 14.484 6.948 8.603 1.00 0.87 N ATOM 562 CA GLU A 37 14.442 5.659 9.283 1.00 0.81 C ATOM 563 C GLU A 37 13.568 4.682 8.497 1.00 0.63 C ATOM 564 O GLU A 37 14.057 3.650 8.047 1.00 0.64 O ATOM 565 CB GLU A 37 13.929 5.870 10.714 1.00 0.98 C ATOM 566 CG GLU A 37 13.872 4.581 11.544 1.00 1.18 C ATOM 567 CD GLU A 37 13.337 4.836 12.948 1.00 2.03 C ATOM 568 OE1 GLU A 37 12.489 5.748 13.071 1.00 3.04 O ATOM 569 OE2 GLU A 37 13.764 4.103 13.863 1.00 2.82 O ATOM 0 H GLU A 37 14.350 7.733 9.240 1.00 0.87 H new ATOM 0 HA GLU A 37 15.440 5.224 9.338 1.00 0.81 H new ATOM 0 HB2 GLU A 37 14.574 6.589 11.219 1.00 0.98 H new ATOM 0 HB3 GLU A 37 12.932 6.309 10.672 1.00 0.98 H new ATOM 0 HG2 GLU A 37 13.238 3.852 11.040 1.00 1.18 H new ATOM 0 HG3 GLU A 37 14.869 4.146 11.608 1.00 1.18 H new ATOM 576 N PHE A 38 12.291 5.026 8.290 1.00 0.57 N ATOM 577 CA PHE A 38 11.392 4.280 7.418 1.00 0.55 C ATOM 578 C PHE A 38 12.081 3.907 6.101 1.00 0.56 C ATOM 579 O PHE A 38 12.090 2.733 5.735 1.00 0.61 O ATOM 580 CB PHE A 38 10.095 5.070 7.180 1.00 0.57 C ATOM 581 CG PHE A 38 9.418 4.760 5.859 1.00 0.62 C ATOM 582 CD1 PHE A 38 8.696 3.564 5.709 1.00 2.22 C ATOM 583 CD2 PHE A 38 9.738 5.523 4.722 1.00 1.97 C ATOM 584 CE1 PHE A 38 8.210 3.192 4.444 1.00 2.27 C ATOM 585 CE2 PHE A 38 9.396 5.058 3.442 1.00 2.05 C ATOM 586 CZ PHE A 38 8.584 3.919 3.304 1.00 0.99 C ATOM 0 H PHE A 38 11.855 5.837 8.729 1.00 0.57 H new ATOM 0 HA PHE A 38 11.126 3.347 7.914 1.00 0.55 H new ATOM 0 HB2 PHE A 38 9.399 4.859 7.992 1.00 0.57 H new ATOM 0 HB3 PHE A 38 10.318 6.136 7.221 1.00 0.57 H new ATOM 0 HD1 PHE A 38 8.515 2.931 6.565 1.00 2.22 H new ATOM 0 HD2 PHE A 38 10.248 6.469 4.833 1.00 1.97 H new ATOM 0 HE1 PHE A 38 7.547 2.345 4.349 1.00 2.27 H new ATOM 0 HE2 PHE A 38 9.756 5.575 2.565 1.00 2.05 H new ATOM 0 HZ PHE A 38 8.250 3.605 2.326 1.00 0.99 H new ATOM 596 N LYS A 39 12.656 4.885 5.390 1.00 0.59 N ATOM 597 CA LYS A 39 13.330 4.622 4.122 1.00 0.67 C ATOM 598 C LYS A 39 14.398 3.537 4.281 1.00 0.63 C ATOM 599 O LYS A 39 14.469 2.619 3.461 1.00 0.66 O ATOM 600 CB LYS A 39 13.797 5.928 3.451 1.00 0.91 C ATOM 601 CG LYS A 39 15.030 5.830 2.530 1.00 0.91 C ATOM 602 CD LYS A 39 16.236 6.388 3.297 1.00 1.56 C ATOM 603 CE LYS A 39 17.605 6.051 2.693 1.00 2.28 C ATOM 604 NZ LYS A 39 18.696 6.643 3.504 1.00 3.23 N ATOM 0 H LYS A 39 12.665 5.864 5.675 1.00 0.59 H new ATOM 0 HA LYS A 39 12.618 4.201 3.413 1.00 0.67 H new ATOM 0 HB2 LYS A 39 12.967 6.327 2.868 1.00 0.91 H new ATOM 0 HB3 LYS A 39 14.014 6.654 4.234 1.00 0.91 H new ATOM 0 HG2 LYS A 39 15.208 4.795 2.240 1.00 0.91 H new ATOM 0 HG3 LYS A 39 14.867 6.395 1.612 1.00 0.91 H new ATOM 0 HD2 LYS A 39 16.139 7.472 3.356 1.00 1.56 H new ATOM 0 HD3 LYS A 39 16.204 6.009 4.319 1.00 1.56 H new ATOM 0 HE2 LYS A 39 17.729 4.969 2.642 1.00 2.28 H new ATOM 0 HE3 LYS A 39 17.660 6.427 1.671 1.00 2.28 H new ATOM 0 HZ1 LYS A 39 19.410 7.061 2.873 1.00 3.23 H new ATOM 0 HZ2 LYS A 39 18.306 7.382 4.124 1.00 3.23 H new ATOM 0 HZ3 LYS A 39 19.138 5.902 4.084 1.00 3.23 H new ATOM 618 N GLU A 40 15.219 3.613 5.328 1.00 0.65 N ATOM 619 CA GLU A 40 16.248 2.609 5.556 1.00 0.72 C ATOM 620 C GLU A 40 15.636 1.255 5.928 1.00 0.72 C ATOM 621 O GLU A 40 16.078 0.219 5.433 1.00 0.86 O ATOM 622 CB GLU A 40 17.297 3.124 6.547 1.00 0.88 C ATOM 623 CG GLU A 40 17.816 4.465 6.006 1.00 0.96 C ATOM 624 CD GLU A 40 19.247 4.797 6.387 1.00 1.55 C ATOM 625 OE1 GLU A 40 19.723 4.293 7.422 1.00 2.26 O ATOM 626 OE2 GLU A 40 19.822 5.569 5.583 1.00 2.95 O ATOM 0 H GLU A 40 15.189 4.356 6.026 1.00 0.65 H new ATOM 0 HA GLU A 40 16.784 2.429 4.624 1.00 0.72 H new ATOM 0 HB2 GLU A 40 16.860 3.252 7.537 1.00 0.88 H new ATOM 0 HB3 GLU A 40 18.113 2.409 6.649 1.00 0.88 H new ATOM 0 HG2 GLU A 40 17.738 4.456 4.919 1.00 0.96 H new ATOM 0 HG3 GLU A 40 17.165 5.262 6.366 1.00 0.96 H new ATOM 633 N LEU A 41 14.575 1.243 6.736 1.00 0.66 N ATOM 634 CA LEU A 41 13.832 0.019 6.990 1.00 0.70 C ATOM 635 C LEU A 41 13.363 -0.592 5.671 1.00 0.65 C ATOM 636 O LEU A 41 13.637 -1.764 5.428 1.00 0.76 O ATOM 637 CB LEU A 41 12.658 0.243 7.955 1.00 0.77 C ATOM 638 CG LEU A 41 13.018 -0.101 9.408 1.00 0.99 C ATOM 639 CD1 LEU A 41 14.109 0.818 9.967 1.00 2.34 C ATOM 640 CD2 LEU A 41 11.755 0.018 10.265 1.00 2.34 C ATOM 0 H LEU A 41 14.216 2.065 7.221 1.00 0.66 H new ATOM 0 HA LEU A 41 14.504 -0.685 7.481 1.00 0.70 H new ATOM 0 HB2 LEU A 41 12.340 1.284 7.900 1.00 0.77 H new ATOM 0 HB3 LEU A 41 11.811 -0.367 7.640 1.00 0.77 H new ATOM 0 HG LEU A 41 13.410 -1.118 9.432 1.00 0.99 H new ATOM 0 HD11 LEU A 41 14.330 0.536 10.997 1.00 2.34 H new ATOM 0 HD12 LEU A 41 15.011 0.721 9.363 1.00 2.34 H new ATOM 0 HD13 LEU A 41 13.763 1.851 9.940 1.00 2.34 H new ATOM 0 HD21 LEU A 41 11.994 -0.223 11.301 1.00 2.34 H new ATOM 0 HD22 LEU A 41 11.372 1.037 10.209 1.00 2.34 H new ATOM 0 HD23 LEU A 41 10.999 -0.675 9.896 1.00 2.34 H new ATOM 652 N VAL A 42 12.672 0.149 4.803 1.00 0.57 N ATOM 653 CA VAL A 42 12.197 -0.471 3.572 1.00 0.60 C ATOM 654 C VAL A 42 13.378 -0.899 2.697 1.00 0.61 C ATOM 655 O VAL A 42 13.397 -2.040 2.250 1.00 0.71 O ATOM 656 CB VAL A 42 11.111 0.331 2.836 1.00 0.67 C ATOM 657 CG1 VAL A 42 9.843 0.403 3.694 1.00 1.64 C ATOM 658 CG2 VAL A 42 11.532 1.737 2.420 1.00 1.20 C ATOM 0 H VAL A 42 12.438 1.135 4.922 1.00 0.57 H new ATOM 0 HA VAL A 42 11.664 -1.380 3.852 1.00 0.60 H new ATOM 0 HB VAL A 42 10.923 -0.210 1.909 1.00 0.67 H new ATOM 0 HG11 VAL A 42 9.078 0.973 3.166 1.00 1.64 H new ATOM 0 HG12 VAL A 42 9.476 -0.605 3.887 1.00 1.64 H new ATOM 0 HG13 VAL A 42 10.071 0.893 4.641 1.00 1.64 H new ATOM 0 HG21 VAL A 42 10.704 2.228 1.908 1.00 1.20 H new ATOM 0 HG22 VAL A 42 11.804 2.312 3.305 1.00 1.20 H new ATOM 0 HG23 VAL A 42 12.389 1.677 1.749 1.00 1.20 H new ATOM 668 N THR A 43 14.396 -0.057 2.480 1.00 0.58 N ATOM 669 CA THR A 43 15.520 -0.479 1.645 1.00 0.64 C ATOM 670 C THR A 43 16.122 -1.787 2.174 1.00 0.72 C ATOM 671 O THR A 43 16.409 -2.696 1.400 1.00 0.86 O ATOM 672 CB THR A 43 16.562 0.641 1.449 1.00 0.69 C ATOM 673 OG1 THR A 43 17.125 0.544 0.158 1.00 1.14 O ATOM 674 CG2 THR A 43 17.715 0.620 2.458 1.00 0.92 C ATOM 0 H THR A 43 14.463 0.888 2.857 1.00 0.58 H new ATOM 0 HA THR A 43 15.140 -0.685 0.644 1.00 0.64 H new ATOM 0 HB THR A 43 16.015 1.572 1.597 1.00 0.69 H new ATOM 0 HG1 THR A 43 17.785 1.257 0.035 1.00 1.14 H new ATOM 0 HG21 THR A 43 18.399 1.441 2.246 1.00 0.92 H new ATOM 0 HG22 THR A 43 17.318 0.730 3.467 1.00 0.92 H new ATOM 0 HG23 THR A 43 18.249 -0.327 2.380 1.00 0.92 H new ATOM 682 N GLN A 44 16.269 -1.900 3.499 1.00 0.72 N ATOM 683 CA GLN A 44 16.742 -3.116 4.136 1.00 0.82 C ATOM 684 C GLN A 44 15.782 -4.281 3.864 1.00 0.84 C ATOM 685 O GLN A 44 16.223 -5.370 3.508 1.00 0.95 O ATOM 686 CB GLN A 44 16.919 -2.847 5.634 1.00 0.87 C ATOM 687 CG GLN A 44 17.596 -4.023 6.339 1.00 1.52 C ATOM 688 CD GLN A 44 17.428 -3.917 7.850 1.00 2.05 C ATOM 689 OE1 GLN A 44 16.338 -4.140 8.368 1.00 3.03 O ATOM 690 NE2 GLN A 44 18.490 -3.570 8.570 1.00 2.65 N ATOM 0 H GLN A 44 16.061 -1.145 4.153 1.00 0.72 H new ATOM 0 HA GLN A 44 17.706 -3.408 3.719 1.00 0.82 H new ATOM 0 HB2 GLN A 44 17.515 -1.945 5.775 1.00 0.87 H new ATOM 0 HB3 GLN A 44 15.946 -2.660 6.089 1.00 0.87 H new ATOM 0 HG2 GLN A 44 17.167 -4.961 5.986 1.00 1.52 H new ATOM 0 HG3 GLN A 44 18.656 -4.043 6.087 1.00 1.52 H new ATOM 0 HE21 GLN A 44 19.382 -3.391 8.109 1.00 2.65 H new ATOM 0 HE22 GLN A 44 18.413 -3.482 9.583 1.00 2.65 H new ATOM 699 N GLN A 45 14.474 -4.061 4.034 1.00 0.79 N ATOM 700 CA GLN A 45 13.452 -5.072 3.778 1.00 0.82 C ATOM 701 C GLN A 45 13.388 -5.458 2.299 1.00 0.85 C ATOM 702 O GLN A 45 12.852 -6.520 1.988 1.00 0.92 O ATOM 703 CB GLN A 45 12.067 -4.576 4.220 1.00 0.81 C ATOM 704 CG GLN A 45 11.843 -4.369 5.729 1.00 0.89 C ATOM 705 CD GLN A 45 13.000 -4.807 6.642 1.00 1.26 C ATOM 706 OE1 GLN A 45 13.157 -5.988 6.929 1.00 2.76 O ATOM 707 NE2 GLN A 45 13.812 -3.878 7.124 1.00 1.60 N ATOM 0 H GLN A 45 14.096 -3.170 4.355 1.00 0.79 H new ATOM 0 HA GLN A 45 13.733 -5.951 4.358 1.00 0.82 H new ATOM 0 HB2 GLN A 45 11.870 -3.630 3.716 1.00 0.81 H new ATOM 0 HB3 GLN A 45 11.323 -5.288 3.862 1.00 0.81 H new ATOM 0 HG2 GLN A 45 11.645 -3.312 5.906 1.00 0.89 H new ATOM 0 HG3 GLN A 45 10.946 -4.915 6.023 1.00 0.89 H new ATOM 0 HE21 GLN A 45 13.670 -2.899 6.877 1.00 1.60 H new ATOM 0 HE22 GLN A 45 14.579 -4.142 7.742 1.00 1.60 H new ATOM 716 N LEU A 46 13.889 -4.605 1.400 1.00 0.89 N ATOM 717 CA LEU A 46 13.912 -4.827 -0.038 1.00 0.95 C ATOM 718 C LEU A 46 15.336 -5.046 -0.579 1.00 1.01 C ATOM 719 O LEU A 46 15.814 -4.243 -1.382 1.00 1.15 O ATOM 720 CB LEU A 46 13.277 -3.619 -0.747 1.00 1.01 C ATOM 721 CG LEU A 46 11.751 -3.527 -0.654 1.00 1.07 C ATOM 722 CD1 LEU A 46 11.214 -2.575 0.415 1.00 1.22 C ATOM 723 CD2 LEU A 46 11.190 -3.119 -2.028 1.00 1.56 C ATOM 0 H LEU A 46 14.302 -3.712 1.669 1.00 0.89 H new ATOM 0 HA LEU A 46 13.345 -5.736 -0.239 1.00 0.95 H new ATOM 0 HB2 LEU A 46 13.705 -2.708 -0.328 1.00 1.01 H new ATOM 0 HB3 LEU A 46 13.558 -3.649 -1.800 1.00 1.01 H new ATOM 0 HG LEU A 46 11.415 -4.518 -0.350 1.00 1.07 H new ATOM 0 HD11 LEU A 46 10.124 -2.585 0.396 1.00 1.22 H new ATOM 0 HD12 LEU A 46 11.563 -2.896 1.396 1.00 1.22 H new ATOM 0 HD13 LEU A 46 11.571 -1.565 0.215 1.00 1.22 H new ATOM 0 HD21 LEU A 46 10.104 -3.051 -1.972 1.00 1.56 H new ATOM 0 HD22 LEU A 46 11.600 -2.151 -2.315 1.00 1.56 H new ATOM 0 HD23 LEU A 46 11.469 -3.866 -2.771 1.00 1.56 H new ATOM 735 N PRO A 47 16.011 -6.168 -0.287 1.00 1.03 N ATOM 736 CA PRO A 47 17.327 -6.453 -0.849 1.00 1.10 C ATOM 737 C PRO A 47 17.214 -7.012 -2.281 1.00 1.07 C ATOM 738 O PRO A 47 17.979 -7.908 -2.652 1.00 1.21 O ATOM 739 CB PRO A 47 17.910 -7.489 0.116 1.00 1.28 C ATOM 740 CG PRO A 47 16.674 -8.314 0.472 1.00 1.29 C ATOM 741 CD PRO A 47 15.579 -7.253 0.578 1.00 1.10 C ATOM 0 HA PRO A 47 17.953 -5.565 -0.940 1.00 1.10 H new ATOM 0 HB2 PRO A 47 18.685 -8.095 -0.354 1.00 1.28 H new ATOM 0 HB3 PRO A 47 18.358 -7.024 0.994 1.00 1.28 H new ATOM 0 HG2 PRO A 47 16.447 -9.054 -0.295 1.00 1.29 H new ATOM 0 HG3 PRO A 47 16.805 -8.855 1.409 1.00 1.29 H new ATOM 0 HD2 PRO A 47 14.615 -7.650 0.260 1.00 1.10 H new ATOM 0 HD3 PRO A 47 15.460 -6.912 1.607 1.00 1.10 H new ATOM 749 N HIS A 48 16.249 -6.528 -3.073 1.00 1.13 N ATOM 750 CA HIS A 48 15.889 -7.093 -4.369 1.00 1.15 C ATOM 751 C HIS A 48 16.816 -6.595 -5.487 1.00 1.29 C ATOM 752 O HIS A 48 17.668 -7.338 -5.969 1.00 2.39 O ATOM 753 CB HIS A 48 14.400 -6.854 -4.651 1.00 1.28 C ATOM 754 CG HIS A 48 13.944 -7.512 -5.929 1.00 1.87 C ATOM 755 ND1 HIS A 48 13.712 -8.859 -6.110 1.00 2.90 N ATOM 756 CD2 HIS A 48 13.842 -6.904 -7.150 1.00 2.60 C ATOM 757 CE1 HIS A 48 13.500 -9.049 -7.425 1.00 3.76 C ATOM 758 NE2 HIS A 48 13.555 -7.888 -8.099 1.00 3.57 N ATOM 0 H HIS A 48 15.688 -5.715 -2.820 1.00 1.13 H new ATOM 0 HA HIS A 48 16.038 -8.172 -4.340 1.00 1.15 H new ATOM 0 HB2 HIS A 48 13.809 -7.236 -3.818 1.00 1.28 H new ATOM 0 HB3 HIS A 48 14.212 -5.782 -4.710 1.00 1.28 H new ATOM 0 HD1 HIS A 48 13.703 -9.576 -5.384 1.00 2.90 H new ATOM 0 HD2 HIS A 48 13.962 -5.849 -7.346 1.00 2.60 H new ATOM 0 HE1 HIS A 48 13.310 -10.010 -7.880 1.00 3.76 H new ATOM 766 N LEU A 49 16.636 -5.342 -5.919 1.00 0.97 N ATOM 767 CA LEU A 49 17.446 -4.711 -6.961 1.00 1.06 C ATOM 768 C LEU A 49 17.517 -3.207 -6.675 1.00 1.13 C ATOM 769 O LEU A 49 18.594 -2.684 -6.407 1.00 1.17 O ATOM 770 CB LEU A 49 16.847 -5.036 -8.345 1.00 1.24 C ATOM 771 CG LEU A 49 17.797 -4.875 -9.547 1.00 1.47 C ATOM 772 CD1 LEU A 49 18.469 -3.501 -9.622 1.00 2.39 C ATOM 773 CD2 LEU A 49 18.858 -5.983 -9.587 1.00 2.41 C ATOM 0 H LEU A 49 15.910 -4.729 -5.547 1.00 0.97 H new ATOM 0 HA LEU A 49 18.465 -5.097 -6.963 1.00 1.06 H new ATOM 0 HB2 LEU A 49 16.484 -6.064 -8.329 1.00 1.24 H new ATOM 0 HB3 LEU A 49 15.980 -4.394 -8.504 1.00 1.24 H new ATOM 0 HG LEU A 49 17.157 -4.963 -10.425 1.00 1.47 H new ATOM 0 HD11 LEU A 49 19.123 -3.463 -10.493 1.00 2.39 H new ATOM 0 HD12 LEU A 49 17.706 -2.727 -9.706 1.00 2.39 H new ATOM 0 HD13 LEU A 49 19.057 -3.334 -8.720 1.00 2.39 H new ATOM 0 HD21 LEU A 49 19.508 -5.833 -10.449 1.00 2.41 H new ATOM 0 HD22 LEU A 49 19.453 -5.950 -8.674 1.00 2.41 H new ATOM 0 HD23 LEU A 49 18.368 -6.953 -9.666 1.00 2.41 H new ATOM 785 N LEU A 50 16.359 -2.536 -6.675 1.00 1.30 N ATOM 786 CA LEU A 50 16.189 -1.154 -6.224 1.00 1.40 C ATOM 787 C LEU A 50 16.997 -0.207 -7.115 1.00 1.29 C ATOM 788 O LEU A 50 17.936 0.466 -6.702 1.00 1.37 O ATOM 789 CB LEU A 50 16.448 -1.005 -4.711 1.00 1.62 C ATOM 790 CG LEU A 50 15.268 -1.445 -3.819 1.00 2.16 C ATOM 791 CD1 LEU A 50 14.165 -0.384 -3.752 1.00 3.37 C ATOM 792 CD2 LEU A 50 14.641 -2.781 -4.231 1.00 2.92 C ATOM 0 H LEU A 50 15.488 -2.956 -7.000 1.00 1.30 H new ATOM 0 HA LEU A 50 15.146 -0.860 -6.341 1.00 1.40 H new ATOM 0 HB2 LEU A 50 17.328 -1.591 -4.445 1.00 1.62 H new ATOM 0 HB3 LEU A 50 16.683 0.037 -4.495 1.00 1.62 H new ATOM 0 HG LEU A 50 15.715 -1.575 -2.834 1.00 2.16 H new ATOM 0 HD11 LEU A 50 13.357 -0.739 -3.113 1.00 3.37 H new ATOM 0 HD12 LEU A 50 14.573 0.540 -3.341 1.00 3.37 H new ATOM 0 HD13 LEU A 50 13.779 -0.196 -4.754 1.00 3.37 H new ATOM 0 HD21 LEU A 50 13.819 -3.021 -3.556 1.00 2.92 H new ATOM 0 HD22 LEU A 50 14.263 -2.707 -5.251 1.00 2.92 H new ATOM 0 HD23 LEU A 50 15.394 -3.567 -4.180 1.00 2.92 H new ATOM 804 N LYS A 51 16.590 -0.192 -8.387 1.00 1.24 N ATOM 805 CA LYS A 51 17.140 0.648 -9.444 1.00 1.25 C ATOM 806 C LYS A 51 16.795 2.129 -9.253 1.00 1.17 C ATOM 807 O LYS A 51 17.491 2.988 -9.788 1.00 1.27 O ATOM 808 CB LYS A 51 16.591 0.141 -10.786 1.00 1.34 C ATOM 809 CG LYS A 51 15.060 0.291 -10.865 1.00 1.29 C ATOM 810 CD LYS A 51 14.616 1.604 -11.532 1.00 1.46 C ATOM 811 CE LYS A 51 14.361 1.461 -13.032 1.00 1.74 C ATOM 812 NZ LYS A 51 15.617 1.267 -13.787 1.00 2.17 N ATOM 0 H LYS A 51 15.835 -0.793 -8.718 1.00 1.24 H new ATOM 0 HA LYS A 51 18.228 0.580 -9.417 1.00 1.25 H new ATOM 0 HB2 LYS A 51 17.054 0.696 -11.602 1.00 1.34 H new ATOM 0 HB3 LYS A 51 16.862 -0.906 -10.918 1.00 1.34 H new ATOM 0 HG2 LYS A 51 14.647 -0.550 -11.422 1.00 1.29 H new ATOM 0 HG3 LYS A 51 14.644 0.243 -9.859 1.00 1.29 H new ATOM 0 HD2 LYS A 51 13.707 1.961 -11.048 1.00 1.46 H new ATOM 0 HD3 LYS A 51 15.382 2.363 -11.371 1.00 1.46 H new ATOM 0 HE2 LYS A 51 13.697 0.615 -13.209 1.00 1.74 H new ATOM 0 HE3 LYS A 51 13.849 2.350 -13.400 1.00 1.74 H new ATOM 0 HZ1 LYS A 51 15.409 1.242 -14.806 1.00 2.17 H new ATOM 0 HZ2 LYS A 51 16.268 2.053 -13.585 1.00 2.17 H new ATOM 0 HZ3 LYS A 51 16.058 0.370 -13.502 1.00 2.17 H new ATOM 826 N ASP A 52 15.663 2.388 -8.593 1.00 1.07 N ATOM 827 CA ASP A 52 15.194 3.645 -8.036 1.00 1.07 C ATOM 828 C ASP A 52 15.589 4.901 -8.809 1.00 0.97 C ATOM 829 O ASP A 52 16.629 5.502 -8.549 1.00 1.09 O ATOM 830 CB ASP A 52 15.572 3.693 -6.553 1.00 1.31 C ATOM 831 CG ASP A 52 14.897 2.588 -5.746 1.00 1.64 C ATOM 832 OD1 ASP A 52 14.580 1.539 -6.358 1.00 2.65 O ATOM 833 OD2 ASP A 52 14.706 2.823 -4.534 1.00 2.05 O ATOM 0 H ASP A 52 14.989 1.642 -8.422 1.00 1.07 H new ATOM 0 HA ASP A 52 14.109 3.660 -8.139 1.00 1.07 H new ATOM 0 HB2 ASP A 52 16.654 3.603 -6.453 1.00 1.31 H new ATOM 0 HB3 ASP A 52 15.293 4.663 -6.141 1.00 1.31 H new ATOM 838 N VAL A 53 14.719 5.330 -9.733 1.00 0.98 N ATOM 839 CA VAL A 53 14.889 6.563 -10.486 1.00 1.01 C ATOM 840 C VAL A 53 13.573 7.340 -10.551 1.00 1.06 C ATOM 841 O VAL A 53 12.499 6.749 -10.430 1.00 1.60 O ATOM 842 CB VAL A 53 15.478 6.237 -11.870 1.00 1.57 C ATOM 843 CG1 VAL A 53 14.506 5.423 -12.735 1.00 2.14 C ATOM 844 CG2 VAL A 53 15.918 7.493 -12.631 1.00 2.30 C ATOM 0 H VAL A 53 13.870 4.819 -9.976 1.00 0.98 H new ATOM 0 HA VAL A 53 15.597 7.220 -9.981 1.00 1.01 H new ATOM 0 HB VAL A 53 16.362 5.630 -11.675 1.00 1.57 H new ATOM 0 HG11 VAL A 53 14.965 5.217 -13.702 1.00 2.14 H new ATOM 0 HG12 VAL A 53 14.274 4.482 -12.235 1.00 2.14 H new ATOM 0 HG13 VAL A 53 13.588 5.991 -12.883 1.00 2.14 H new ATOM 0 HG21 VAL A 53 16.326 7.207 -13.600 1.00 2.30 H new ATOM 0 HG22 VAL A 53 15.060 8.149 -12.778 1.00 2.30 H new ATOM 0 HG23 VAL A 53 16.682 8.018 -12.057 1.00 2.30 H new ATOM 854 N GLY A 54 13.663 8.664 -10.722 1.00 1.03 N ATOM 855 CA GLY A 54 12.534 9.567 -10.911 1.00 1.28 C ATOM 856 C GLY A 54 11.695 9.680 -9.641 1.00 1.22 C ATOM 857 O GLY A 54 11.795 10.655 -8.900 1.00 1.29 O ATOM 0 H GLY A 54 14.560 9.149 -10.732 1.00 1.03 H new ATOM 0 HA2 GLY A 54 12.899 10.553 -11.197 1.00 1.28 H new ATOM 0 HA3 GLY A 54 11.911 9.207 -11.730 1.00 1.28 H new ATOM 861 N SER A 55 10.903 8.644 -9.367 1.00 1.20 N ATOM 862 CA SER A 55 10.186 8.513 -8.111 1.00 1.21 C ATOM 863 C SER A 55 11.179 8.568 -6.947 1.00 1.10 C ATOM 864 O SER A 55 10.872 9.143 -5.906 1.00 1.12 O ATOM 865 CB SER A 55 9.341 7.237 -8.137 1.00 1.40 C ATOM 866 OG SER A 55 8.648 7.074 -6.918 1.00 2.20 O ATOM 0 H SER A 55 10.744 7.873 -10.015 1.00 1.20 H new ATOM 0 HA SER A 55 9.494 9.343 -7.968 1.00 1.21 H new ATOM 0 HB2 SER A 55 8.630 7.282 -8.962 1.00 1.40 H new ATOM 0 HB3 SER A 55 9.982 6.374 -8.315 1.00 1.40 H new ATOM 0 HG SER A 55 9.277 6.800 -6.218 1.00 2.20 H new ATOM 872 N LEU A 56 12.395 8.047 -7.158 1.00 1.08 N ATOM 873 CA LEU A 56 13.506 8.214 -6.231 1.00 1.12 C ATOM 874 C LEU A 56 13.578 9.650 -5.740 1.00 1.11 C ATOM 875 O LEU A 56 13.515 9.871 -4.537 1.00 1.05 O ATOM 876 CB LEU A 56 14.819 7.800 -6.903 1.00 1.31 C ATOM 877 CG LEU A 56 16.105 7.970 -6.066 1.00 1.48 C ATOM 878 CD1 LEU A 56 16.640 9.407 -5.984 1.00 2.13 C ATOM 879 CD2 LEU A 56 15.994 7.369 -4.660 1.00 2.31 C ATOM 0 H LEU A 56 12.630 7.496 -7.983 1.00 1.08 H new ATOM 0 HA LEU A 56 13.343 7.570 -5.367 1.00 1.12 H new ATOM 0 HB2 LEU A 56 14.738 6.753 -7.194 1.00 1.31 H new ATOM 0 HB3 LEU A 56 14.930 8.378 -7.820 1.00 1.31 H new ATOM 0 HG LEU A 56 16.840 7.398 -6.631 1.00 1.48 H new ATOM 0 HD11 LEU A 56 17.544 9.424 -5.376 1.00 2.13 H new ATOM 0 HD12 LEU A 56 16.870 9.767 -6.987 1.00 2.13 H new ATOM 0 HD13 LEU A 56 15.886 10.051 -5.531 1.00 2.13 H new ATOM 0 HD21 LEU A 56 16.931 7.522 -4.124 1.00 2.31 H new ATOM 0 HD22 LEU A 56 15.183 7.856 -4.119 1.00 2.31 H new ATOM 0 HD23 LEU A 56 15.790 6.301 -4.736 1.00 2.31 H new ATOM 891 N ASP A 57 13.706 10.621 -6.651 1.00 1.24 N ATOM 892 CA ASP A 57 13.831 12.021 -6.268 1.00 1.33 C ATOM 893 C ASP A 57 12.611 12.444 -5.446 1.00 1.28 C ATOM 894 O ASP A 57 12.744 12.916 -4.315 1.00 1.31 O ATOM 895 CB ASP A 57 13.991 12.909 -7.508 1.00 1.58 C ATOM 896 CG ASP A 57 13.748 14.365 -7.142 1.00 2.30 C ATOM 897 OD1 ASP A 57 14.686 14.997 -6.621 1.00 2.70 O ATOM 898 OD2 ASP A 57 12.587 14.803 -7.309 1.00 3.23 O ATOM 0 H ASP A 57 13.725 10.457 -7.658 1.00 1.24 H new ATOM 0 HA ASP A 57 14.724 12.142 -5.655 1.00 1.33 H new ATOM 0 HB2 ASP A 57 14.993 12.792 -7.922 1.00 1.58 H new ATOM 0 HB3 ASP A 57 13.288 12.598 -8.281 1.00 1.58 H new ATOM 903 N GLU A 58 11.424 12.247 -6.039 1.00 1.32 N ATOM 904 CA GLU A 58 10.120 12.498 -5.439 1.00 1.47 C ATOM 905 C GLU A 58 10.109 12.080 -3.968 1.00 1.37 C ATOM 906 O GLU A 58 9.820 12.893 -3.089 1.00 1.46 O ATOM 907 CB GLU A 58 9.015 11.813 -6.268 1.00 1.58 C ATOM 908 CG GLU A 58 7.616 12.406 -6.028 1.00 2.34 C ATOM 909 CD GLU A 58 6.536 11.716 -6.860 1.00 3.60 C ATOM 910 OE1 GLU A 58 6.882 10.760 -7.589 1.00 4.41 O ATOM 911 OE2 GLU A 58 5.356 12.119 -6.734 1.00 4.69 O ATOM 0 H GLU A 58 11.352 11.892 -6.993 1.00 1.32 H new ATOM 0 HA GLU A 58 9.914 13.568 -5.454 1.00 1.47 H new ATOM 0 HB2 GLU A 58 9.260 11.897 -7.327 1.00 1.58 H new ATOM 0 HB3 GLU A 58 8.997 10.750 -6.028 1.00 1.58 H new ATOM 0 HG2 GLU A 58 7.365 12.320 -4.971 1.00 2.34 H new ATOM 0 HG3 GLU A 58 7.630 13.469 -6.267 1.00 2.34 H new ATOM 918 N LYS A 59 10.472 10.827 -3.708 1.00 1.21 N ATOM 919 CA LYS A 59 10.418 10.231 -2.391 1.00 1.24 C ATOM 920 C LYS A 59 11.548 10.771 -1.517 1.00 1.19 C ATOM 921 O LYS A 59 11.310 11.203 -0.395 1.00 1.25 O ATOM 922 CB LYS A 59 10.494 8.705 -2.516 1.00 1.22 C ATOM 923 CG LYS A 59 9.639 8.054 -1.428 1.00 1.08 C ATOM 924 CD LYS A 59 9.799 6.533 -1.453 1.00 1.00 C ATOM 925 CE LYS A 59 11.185 6.092 -0.972 1.00 1.12 C ATOM 926 NZ LYS A 59 12.047 5.666 -2.100 1.00 1.62 N ATOM 0 H LYS A 59 10.818 10.191 -4.426 1.00 1.21 H new ATOM 0 HA LYS A 59 9.475 10.493 -1.912 1.00 1.24 H new ATOM 0 HB2 LYS A 59 10.145 8.394 -3.501 1.00 1.22 H new ATOM 0 HB3 LYS A 59 11.529 8.374 -2.425 1.00 1.22 H new ATOM 0 HG2 LYS A 59 9.930 8.439 -0.451 1.00 1.08 H new ATOM 0 HG3 LYS A 59 8.592 8.317 -1.576 1.00 1.08 H new ATOM 0 HD2 LYS A 59 9.035 6.078 -0.822 1.00 1.00 H new ATOM 0 HD3 LYS A 59 9.634 6.168 -2.467 1.00 1.00 H new ATOM 0 HE2 LYS A 59 11.663 6.913 -0.438 1.00 1.12 H new ATOM 0 HE3 LYS A 59 11.080 5.270 -0.264 1.00 1.12 H new ATOM 0 HZ1 LYS A 59 12.781 5.017 -1.750 1.00 1.62 H new ATOM 0 HZ2 LYS A 59 11.468 5.181 -2.815 1.00 1.62 H new ATOM 0 HZ3 LYS A 59 12.498 6.500 -2.527 1.00 1.62 H new ATOM 940 N MET A 60 12.780 10.717 -2.022 1.00 1.14 N ATOM 941 CA MET A 60 13.992 11.092 -1.316 1.00 1.15 C ATOM 942 C MET A 60 13.836 12.485 -0.721 1.00 1.15 C ATOM 943 O MET A 60 14.019 12.656 0.480 1.00 1.24 O ATOM 944 CB MET A 60 15.194 10.972 -2.263 1.00 1.18 C ATOM 945 CG MET A 60 16.541 11.347 -1.629 1.00 1.26 C ATOM 946 SD MET A 60 16.910 13.111 -1.405 1.00 2.56 S ATOM 947 CE MET A 60 16.893 13.699 -3.115 1.00 3.96 C ATOM 0 H MET A 60 12.962 10.397 -2.973 1.00 1.14 H new ATOM 0 HA MET A 60 14.173 10.415 -0.481 1.00 1.15 H new ATOM 0 HB2 MET A 60 15.252 9.947 -2.629 1.00 1.18 H new ATOM 0 HB3 MET A 60 15.024 11.611 -3.129 1.00 1.18 H new ATOM 0 HG2 MET A 60 16.597 10.867 -0.652 1.00 1.26 H new ATOM 0 HG3 MET A 60 17.332 10.915 -2.242 1.00 1.26 H new ATOM 0 HE1 MET A 60 17.357 14.684 -3.166 1.00 3.96 H new ATOM 0 HE2 MET A 60 17.448 13.003 -3.744 1.00 3.96 H new ATOM 0 HE3 MET A 60 15.863 13.765 -3.467 1.00 3.96 H new ATOM 957 N LYS A 61 13.461 13.477 -1.530 1.00 1.09 N ATOM 958 CA LYS A 61 13.371 14.831 -0.993 1.00 1.07 C ATOM 959 C LYS A 61 12.198 14.945 -0.026 1.00 1.15 C ATOM 960 O LYS A 61 12.319 15.472 1.078 1.00 1.24 O ATOM 961 CB LYS A 61 13.317 15.853 -2.119 1.00 1.09 C ATOM 962 CG LYS A 61 12.046 15.843 -2.985 1.00 1.52 C ATOM 963 CD LYS A 61 12.489 16.540 -4.264 1.00 1.63 C ATOM 964 CE LYS A 61 11.407 17.023 -5.233 1.00 2.47 C ATOM 965 NZ LYS A 61 10.700 15.908 -5.870 1.00 3.17 N ATOM 0 H LYS A 61 13.224 13.376 -2.517 1.00 1.09 H new ATOM 0 HA LYS A 61 14.271 15.051 -0.419 1.00 1.07 H new ATOM 0 HB2 LYS A 61 13.428 16.847 -1.685 1.00 1.09 H new ATOM 0 HB3 LYS A 61 14.176 15.691 -2.770 1.00 1.09 H new ATOM 0 HG2 LYS A 61 11.699 14.828 -3.179 1.00 1.52 H new ATOM 0 HG3 LYS A 61 11.225 16.373 -2.501 1.00 1.52 H new ATOM 0 HD2 LYS A 61 13.093 17.402 -3.982 1.00 1.63 H new ATOM 0 HD3 LYS A 61 13.142 15.857 -4.807 1.00 1.63 H new ATOM 0 HE2 LYS A 61 10.692 17.646 -4.696 1.00 2.47 H new ATOM 0 HE3 LYS A 61 11.862 17.649 -6.001 1.00 2.47 H new ATOM 0 HZ1 LYS A 61 10.248 16.239 -6.746 1.00 3.17 H new ATOM 0 HZ2 LYS A 61 11.377 15.151 -6.094 1.00 3.17 H new ATOM 0 HZ3 LYS A 61 9.973 15.543 -5.222 1.00 3.17 H new ATOM 979 N SER A 62 11.061 14.398 -0.456 1.00 1.25 N ATOM 980 CA SER A 62 9.882 14.212 0.394 1.00 1.48 C ATOM 981 C SER A 62 10.218 13.565 1.750 1.00 1.66 C ATOM 982 O SER A 62 9.497 13.825 2.710 1.00 2.05 O ATOM 983 CB SER A 62 8.782 13.427 -0.341 1.00 1.67 C ATOM 984 OG SER A 62 7.596 13.295 0.436 1.00 1.88 O ATOM 0 H SER A 62 10.930 14.068 -1.412 1.00 1.25 H new ATOM 0 HA SER A 62 9.500 15.209 0.614 1.00 1.48 H new ATOM 0 HB2 SER A 62 8.545 13.931 -1.278 1.00 1.67 H new ATOM 0 HB3 SER A 62 9.157 12.436 -0.598 1.00 1.67 H new ATOM 0 HG SER A 62 7.645 12.476 0.972 1.00 1.88 H new ATOM 990 N LEU A 63 11.247 12.713 1.841 1.00 1.48 N ATOM 991 CA LEU A 63 11.778 12.240 3.117 1.00 1.62 C ATOM 992 C LEU A 63 12.623 13.332 3.753 1.00 1.60 C ATOM 993 O LEU A 63 12.353 13.753 4.877 1.00 1.75 O ATOM 994 CB LEU A 63 12.609 10.952 2.961 1.00 1.60 C ATOM 995 CG LEU A 63 11.837 9.620 2.962 1.00 1.84 C ATOM 996 CD1 LEU A 63 10.337 9.720 2.658 1.00 2.01 C ATOM 997 CD2 LEU A 63 12.461 8.705 1.903 1.00 2.47 C ATOM 0 H LEU A 63 11.733 12.334 1.028 1.00 1.48 H new ATOM 0 HA LEU A 63 10.931 12.001 3.761 1.00 1.62 H new ATOM 0 HB2 LEU A 63 13.167 11.020 2.027 1.00 1.60 H new ATOM 0 HB3 LEU A 63 13.341 10.921 3.768 1.00 1.60 H new ATOM 0 HG LEU A 63 11.916 9.239 3.980 1.00 1.84 H new ATOM 0 HD11 LEU A 63 9.893 8.725 2.685 1.00 2.01 H new ATOM 0 HD12 LEU A 63 9.856 10.352 3.404 1.00 2.01 H new ATOM 0 HD13 LEU A 63 10.194 10.154 1.669 1.00 2.01 H new ATOM 0 HD21 LEU A 63 11.929 7.754 1.885 1.00 2.47 H new ATOM 0 HD22 LEU A 63 12.389 9.179 0.924 1.00 2.47 H new ATOM 0 HD23 LEU A 63 13.509 8.531 2.145 1.00 2.47 H new ATOM 1009 N ASP A 64 13.671 13.747 3.044 1.00 1.46 N ATOM 1010 CA ASP A 64 14.740 14.568 3.587 1.00 1.53 C ATOM 1011 C ASP A 64 14.191 15.817 4.279 1.00 1.52 C ATOM 1012 O ASP A 64 14.585 16.136 5.404 1.00 1.71 O ATOM 1013 CB ASP A 64 15.715 14.942 2.469 1.00 1.44 C ATOM 1014 CG ASP A 64 16.858 15.781 3.018 1.00 1.71 C ATOM 1015 OD1 ASP A 64 17.714 15.188 3.711 1.00 2.91 O ATOM 1016 OD2 ASP A 64 16.836 17.001 2.756 1.00 1.90 O ATOM 0 H ASP A 64 13.799 13.515 2.059 1.00 1.46 H new ATOM 0 HA ASP A 64 15.271 13.992 4.345 1.00 1.53 H new ATOM 0 HB2 ASP A 64 16.110 14.038 2.005 1.00 1.44 H new ATOM 0 HB3 ASP A 64 15.190 15.496 1.691 1.00 1.44 H new ATOM 1021 N VAL A 65 13.246 16.477 3.600 1.00 1.36 N ATOM 1022 CA VAL A 65 12.775 17.832 3.875 1.00 1.37 C ATOM 1023 C VAL A 65 12.648 18.142 5.371 1.00 1.26 C ATOM 1024 O VAL A 65 13.126 19.179 5.822 1.00 1.47 O ATOM 1025 CB VAL A 65 11.484 18.106 3.081 1.00 1.42 C ATOM 1026 CG1 VAL A 65 10.316 17.197 3.487 1.00 2.59 C ATOM 1027 CG2 VAL A 65 11.062 19.577 3.195 1.00 1.93 C ATOM 0 H VAL A 65 12.767 16.056 2.804 1.00 1.36 H new ATOM 0 HA VAL A 65 13.538 18.530 3.528 1.00 1.37 H new ATOM 0 HB VAL A 65 11.724 17.877 2.043 1.00 1.42 H new ATOM 0 HG11 VAL A 65 9.438 17.443 2.889 1.00 2.59 H new ATOM 0 HG12 VAL A 65 10.590 16.156 3.318 1.00 2.59 H new ATOM 0 HG13 VAL A 65 10.089 17.346 4.543 1.00 2.59 H new ATOM 0 HG21 VAL A 65 10.148 19.739 2.624 1.00 1.93 H new ATOM 0 HG22 VAL A 65 10.885 19.825 4.242 1.00 1.93 H new ATOM 0 HG23 VAL A 65 11.854 20.214 2.801 1.00 1.93 H new ATOM 1037 N ASN A 66 12.036 17.241 6.146 1.00 1.02 N ATOM 1038 CA ASN A 66 12.080 17.305 7.603 1.00 0.96 C ATOM 1039 C ASN A 66 12.140 15.879 8.137 1.00 0.90 C ATOM 1040 O ASN A 66 11.311 15.475 8.952 1.00 0.96 O ATOM 1041 CB ASN A 66 10.841 18.038 8.148 1.00 1.01 C ATOM 1042 CG ASN A 66 10.807 19.519 7.780 1.00 1.74 C ATOM 1043 OD1 ASN A 66 10.053 19.931 6.905 1.00 3.28 O ATOM 1044 ND2 ASN A 66 11.604 20.339 8.460 1.00 2.20 N ATOM 0 H ASN A 66 11.501 16.453 5.780 1.00 1.02 H new ATOM 0 HA ASN A 66 12.959 17.861 7.928 1.00 0.96 H new ATOM 0 HB2 ASN A 66 9.943 17.554 7.764 1.00 1.01 H new ATOM 0 HB3 ASN A 66 10.817 17.939 9.233 1.00 1.01 H new ATOM 0 HD21 ASN A 66 11.598 21.339 8.259 1.00 2.20 H new ATOM 0 HD22 ASN A 66 12.221 19.968 9.183 1.00 2.20 H new ATOM 1051 N GLN A 67 13.148 15.112 7.706 1.00 0.94 N ATOM 1052 CA GLN A 67 13.184 13.690 8.002 1.00 0.94 C ATOM 1053 C GLN A 67 13.161 13.365 9.490 1.00 1.12 C ATOM 1054 O GLN A 67 12.667 12.314 9.888 1.00 1.16 O ATOM 1055 CB GLN A 67 14.415 13.050 7.379 1.00 1.06 C ATOM 1056 CG GLN A 67 15.717 13.631 7.964 1.00 1.12 C ATOM 1057 CD GLN A 67 16.808 13.720 6.916 1.00 2.14 C ATOM 1058 OE1 GLN A 67 17.575 12.782 6.739 1.00 2.75 O ATOM 1059 NE2 GLN A 67 16.836 14.829 6.193 1.00 3.17 N ATOM 0 H GLN A 67 13.937 15.454 7.158 1.00 0.94 H new ATOM 0 HA GLN A 67 12.270 13.281 7.570 1.00 0.94 H new ATOM 0 HB2 GLN A 67 14.390 11.973 7.546 1.00 1.06 H new ATOM 0 HB3 GLN A 67 14.400 13.205 6.300 1.00 1.06 H new ATOM 0 HG2 GLN A 67 15.522 14.623 8.373 1.00 1.12 H new ATOM 0 HG3 GLN A 67 16.056 13.006 8.791 1.00 1.12 H new ATOM 0 HE21 GLN A 67 16.172 15.580 6.384 1.00 3.17 H new ATOM 0 HE22 GLN A 67 17.521 14.933 5.445 1.00 3.17 H new ATOM 1068 N ASP A 68 13.752 14.258 10.283 1.00 1.30 N ATOM 1069 CA ASP A 68 13.864 14.134 11.727 1.00 1.55 C ATOM 1070 C ASP A 68 12.495 13.969 12.404 1.00 1.60 C ATOM 1071 O ASP A 68 12.405 13.392 13.487 1.00 1.88 O ATOM 1072 CB ASP A 68 14.603 15.373 12.244 1.00 1.72 C ATOM 1073 CG ASP A 68 14.777 15.347 13.755 1.00 2.24 C ATOM 1074 OD1 ASP A 68 15.652 14.578 14.207 1.00 3.10 O ATOM 1075 OD2 ASP A 68 14.059 16.125 14.417 1.00 2.82 O ATOM 0 H ASP A 68 14.177 15.112 9.922 1.00 1.30 H new ATOM 0 HA ASP A 68 14.422 13.231 11.974 1.00 1.55 H new ATOM 0 HB2 ASP A 68 15.582 15.436 11.768 1.00 1.72 H new ATOM 0 HB3 ASP A 68 14.052 16.269 11.958 1.00 1.72 H new ATOM 1080 N SER A 69 11.423 14.449 11.761 1.00 1.44 N ATOM 1081 CA SER A 69 10.066 14.261 12.261 1.00 1.58 C ATOM 1082 C SER A 69 9.721 12.765 12.365 1.00 1.77 C ATOM 1083 O SER A 69 10.473 11.891 11.928 1.00 2.83 O ATOM 1084 CB SER A 69 9.072 15.013 11.357 1.00 1.45 C ATOM 1085 OG SER A 69 8.055 15.644 12.113 1.00 2.18 O ATOM 0 H SER A 69 11.476 14.973 10.888 1.00 1.44 H new ATOM 0 HA SER A 69 9.995 14.675 13.267 1.00 1.58 H new ATOM 0 HB2 SER A 69 9.606 15.760 10.770 1.00 1.45 H new ATOM 0 HB3 SER A 69 8.622 14.315 10.651 1.00 1.45 H new ATOM 0 HG SER A 69 7.527 14.965 12.582 1.00 2.18 H new ATOM 1091 N GLU A 70 8.550 12.459 12.921 1.00 1.29 N ATOM 1092 CA GLU A 70 7.965 11.136 12.801 1.00 1.19 C ATOM 1093 C GLU A 70 7.344 10.971 11.414 1.00 1.24 C ATOM 1094 O GLU A 70 7.337 11.876 10.580 1.00 1.67 O ATOM 1095 CB GLU A 70 6.959 10.830 13.930 1.00 1.14 C ATOM 1096 CG GLU A 70 6.139 12.041 14.366 1.00 2.16 C ATOM 1097 CD GLU A 70 5.602 12.869 13.211 1.00 3.41 C ATOM 1098 OE1 GLU A 70 4.599 12.442 12.601 1.00 4.43 O ATOM 1099 OE2 GLU A 70 6.248 13.897 12.918 1.00 4.50 O ATOM 0 H GLU A 70 7.989 13.118 13.461 1.00 1.29 H new ATOM 0 HA GLU A 70 8.761 10.400 12.914 1.00 1.19 H new ATOM 0 HB2 GLU A 70 6.281 10.044 13.597 1.00 1.14 H new ATOM 0 HB3 GLU A 70 7.501 10.440 14.792 1.00 1.14 H new ATOM 0 HG2 GLU A 70 5.302 11.700 14.976 1.00 2.16 H new ATOM 0 HG3 GLU A 70 6.757 12.677 15.000 1.00 2.16 H new ATOM 1106 N LEU A 71 6.836 9.767 11.200 1.00 1.15 N ATOM 1107 CA LEU A 71 6.062 9.349 10.049 1.00 1.18 C ATOM 1108 C LEU A 71 4.806 8.658 10.588 1.00 1.10 C ATOM 1109 O LEU A 71 4.819 8.144 11.708 1.00 1.13 O ATOM 1110 CB LEU A 71 6.925 8.402 9.199 1.00 1.48 C ATOM 1111 CG LEU A 71 6.376 8.102 7.795 1.00 0.97 C ATOM 1112 CD1 LEU A 71 6.433 9.337 6.888 1.00 2.10 C ATOM 1113 CD2 LEU A 71 7.233 7.004 7.159 1.00 1.84 C ATOM 0 H LEU A 71 6.964 9.010 11.871 1.00 1.15 H new ATOM 0 HA LEU A 71 5.767 10.183 9.413 1.00 1.18 H new ATOM 0 HB2 LEU A 71 7.920 8.835 9.098 1.00 1.48 H new ATOM 0 HB3 LEU A 71 7.040 7.460 9.736 1.00 1.48 H new ATOM 0 HG LEU A 71 5.336 7.793 7.897 1.00 0.97 H new ATOM 0 HD11 LEU A 71 6.036 9.085 5.905 1.00 2.10 H new ATOM 0 HD12 LEU A 71 5.836 10.138 7.325 1.00 2.10 H new ATOM 0 HD13 LEU A 71 7.467 9.668 6.788 1.00 2.10 H new ATOM 0 HD21 LEU A 71 6.855 6.780 6.161 1.00 1.84 H new ATOM 0 HD22 LEU A 71 8.266 7.344 7.088 1.00 1.84 H new ATOM 0 HD23 LEU A 71 7.188 6.105 7.774 1.00 1.84 H new ATOM 1125 N LYS A 72 3.723 8.650 9.809 1.00 1.08 N ATOM 1126 CA LYS A 72 2.451 8.011 10.121 1.00 1.03 C ATOM 1127 C LYS A 72 2.115 6.976 9.045 1.00 1.02 C ATOM 1128 O LYS A 72 2.712 6.976 7.967 1.00 1.05 O ATOM 1129 CB LYS A 72 1.339 9.068 10.169 1.00 1.00 C ATOM 1130 CG LYS A 72 1.596 10.136 11.242 1.00 1.09 C ATOM 1131 CD LYS A 72 0.967 11.489 10.856 1.00 1.51 C ATOM 1132 CE LYS A 72 1.885 12.640 11.285 1.00 2.21 C ATOM 1133 NZ LYS A 72 3.148 12.654 10.514 1.00 3.13 N ATOM 0 H LYS A 72 3.712 9.113 8.900 1.00 1.08 H new ATOM 0 HA LYS A 72 2.529 7.518 11.090 1.00 1.03 H new ATOM 0 HB2 LYS A 72 1.255 9.548 9.194 1.00 1.00 H new ATOM 0 HB3 LYS A 72 0.385 8.580 10.367 1.00 1.00 H new ATOM 0 HG2 LYS A 72 1.186 9.802 12.195 1.00 1.09 H new ATOM 0 HG3 LYS A 72 2.670 10.260 11.383 1.00 1.09 H new ATOM 0 HD2 LYS A 72 0.802 11.528 9.779 1.00 1.51 H new ATOM 0 HD3 LYS A 72 -0.008 11.594 11.332 1.00 1.51 H new ATOM 0 HE2 LYS A 72 1.366 13.589 11.149 1.00 2.21 H new ATOM 0 HE3 LYS A 72 2.109 12.549 12.348 1.00 2.21 H new ATOM 0 HZ1 LYS A 72 3.923 12.986 11.123 1.00 3.13 H new ATOM 0 HZ2 LYS A 72 3.360 11.693 10.177 1.00 3.13 H new ATOM 0 HZ3 LYS A 72 3.050 13.293 9.699 1.00 3.13 H new ATOM 1147 N PHE A 73 1.139 6.106 9.318 1.00 1.04 N ATOM 1148 CA PHE A 73 0.764 5.014 8.423 1.00 1.05 C ATOM 1149 C PHE A 73 0.466 5.493 6.999 1.00 0.93 C ATOM 1150 O PHE A 73 0.894 4.884 6.024 1.00 0.86 O ATOM 1151 CB PHE A 73 -0.413 4.211 8.995 1.00 1.21 C ATOM 1152 CG PHE A 73 -1.752 4.932 9.045 1.00 0.91 C ATOM 1153 CD1 PHE A 73 -2.611 4.918 7.928 1.00 2.25 C ATOM 1154 CD2 PHE A 73 -2.141 5.629 10.204 1.00 2.05 C ATOM 1155 CE1 PHE A 73 -3.813 5.647 7.954 1.00 3.17 C ATOM 1156 CE2 PHE A 73 -3.354 6.334 10.239 1.00 2.34 C ATOM 1157 CZ PHE A 73 -4.191 6.346 9.113 1.00 2.67 C ATOM 0 H PHE A 73 0.584 6.142 10.173 1.00 1.04 H new ATOM 0 HA PHE A 73 1.629 4.354 8.355 1.00 1.05 H new ATOM 0 HB2 PHE A 73 -0.533 3.306 8.400 1.00 1.21 H new ATOM 0 HB3 PHE A 73 -0.155 3.896 10.006 1.00 1.21 H new ATOM 0 HD1 PHE A 73 -2.346 4.347 7.051 1.00 2.25 H new ATOM 0 HD2 PHE A 73 -1.501 5.621 11.074 1.00 2.05 H new ATOM 0 HE1 PHE A 73 -4.448 5.670 7.081 1.00 3.17 H new ATOM 0 HE2 PHE A 73 -3.643 6.867 11.133 1.00 2.34 H new ATOM 0 HZ PHE A 73 -5.123 6.891 9.137 1.00 2.67 H new ATOM 1167 N ASN A 74 -0.300 6.576 6.880 1.00 0.94 N ATOM 1168 CA ASN A 74 -0.770 7.077 5.593 1.00 0.88 C ATOM 1169 C ASN A 74 0.355 7.771 4.825 1.00 0.80 C ATOM 1170 O ASN A 74 0.413 7.679 3.600 1.00 0.84 O ATOM 1171 CB ASN A 74 -2.020 7.953 5.738 1.00 0.97 C ATOM 1172 CG ASN A 74 -1.882 9.081 6.750 1.00 2.17 C ATOM 1173 OD1 ASN A 74 -1.722 10.241 6.379 1.00 2.50 O ATOM 1174 ND2 ASN A 74 -2.050 8.782 8.036 1.00 3.94 N ATOM 0 H ASN A 74 -0.612 7.131 7.677 1.00 0.94 H new ATOM 0 HA ASN A 74 -1.076 6.218 4.996 1.00 0.88 H new ATOM 0 HB2 ASN A 74 -2.264 8.381 4.766 1.00 0.97 H new ATOM 0 HB3 ASN A 74 -2.860 7.322 6.028 1.00 0.97 H new ATOM 0 HD21 ASN A 74 -2.048 9.523 8.737 1.00 3.94 H new ATOM 0 HD22 ASN A 74 -2.181 7.811 8.321 1.00 3.94 H new ATOM 1181 N GLU A 75 1.268 8.428 5.542 1.00 0.81 N ATOM 1182 CA GLU A 75 2.456 9.025 4.952 1.00 0.85 C ATOM 1183 C GLU A 75 3.366 7.909 4.431 1.00 0.73 C ATOM 1184 O GLU A 75 3.772 7.922 3.273 1.00 0.74 O ATOM 1185 CB GLU A 75 3.164 9.885 6.003 1.00 1.00 C ATOM 1186 CG GLU A 75 2.271 11.014 6.544 1.00 1.83 C ATOM 1187 CD GLU A 75 2.883 11.680 7.767 1.00 3.09 C ATOM 1188 OE1 GLU A 75 3.508 10.957 8.573 1.00 4.26 O ATOM 1189 OE2 GLU A 75 2.660 12.890 7.982 1.00 3.73 O ATOM 0 H GLU A 75 1.199 8.559 6.551 1.00 0.81 H new ATOM 0 HA GLU A 75 2.189 9.669 4.114 1.00 0.85 H new ATOM 0 HB2 GLU A 75 3.483 9.251 6.830 1.00 1.00 H new ATOM 0 HB3 GLU A 75 4.065 10.317 5.567 1.00 1.00 H new ATOM 0 HG2 GLU A 75 2.115 11.759 5.764 1.00 1.83 H new ATOM 0 HG3 GLU A 75 1.291 10.611 6.801 1.00 1.83 H new ATOM 1196 N TYR A 76 3.649 6.917 5.282 1.00 0.68 N ATOM 1197 CA TYR A 76 4.306 5.672 4.897 1.00 0.62 C ATOM 1198 C TYR A 76 3.656 5.093 3.638 1.00 0.57 C ATOM 1199 O TYR A 76 4.353 4.627 2.737 1.00 0.52 O ATOM 1200 CB TYR A 76 4.245 4.695 6.083 1.00 0.75 C ATOM 1201 CG TYR A 76 4.524 3.231 5.777 1.00 0.75 C ATOM 1202 CD1 TYR A 76 3.534 2.440 5.156 1.00 1.65 C ATOM 1203 CD2 TYR A 76 5.626 2.593 6.373 1.00 2.00 C ATOM 1204 CE1 TYR A 76 3.746 1.069 4.953 1.00 1.86 C ATOM 1205 CE2 TYR A 76 5.837 1.217 6.182 1.00 2.01 C ATOM 1206 CZ TYR A 76 4.915 0.464 5.435 1.00 1.15 C ATOM 1207 OH TYR A 76 5.152 -0.848 5.161 1.00 1.46 O ATOM 0 H TYR A 76 3.422 6.962 6.275 1.00 0.68 H new ATOM 0 HA TYR A 76 5.353 5.856 4.654 1.00 0.62 H new ATOM 0 HB2 TYR A 76 4.960 5.028 6.835 1.00 0.75 H new ATOM 0 HB3 TYR A 76 3.254 4.766 6.532 1.00 0.75 H new ATOM 0 HD1 TYR A 76 2.608 2.893 4.835 1.00 1.65 H new ATOM 0 HD2 TYR A 76 6.313 3.163 6.980 1.00 2.00 H new ATOM 0 HE1 TYR A 76 3.010 0.480 4.426 1.00 1.86 H new ATOM 0 HE2 TYR A 76 6.706 0.739 6.609 1.00 2.01 H new ATOM 0 HH TYR A 76 6.091 -1.057 5.348 1.00 1.46 H new ATOM 1217 N TRP A 77 2.320 5.092 3.599 1.00 0.65 N ATOM 1218 CA TRP A 77 1.575 4.386 2.576 1.00 0.68 C ATOM 1219 C TRP A 77 2.038 4.727 1.166 1.00 0.58 C ATOM 1220 O TRP A 77 2.661 3.883 0.521 1.00 0.72 O ATOM 1221 CB TRP A 77 0.072 4.582 2.735 1.00 0.72 C ATOM 1222 CG TRP A 77 -0.636 3.406 2.226 1.00 0.64 C ATOM 1223 CD1 TRP A 77 -0.906 3.195 0.929 1.00 0.67 C ATOM 1224 CD2 TRP A 77 -1.211 2.305 2.975 1.00 0.57 C ATOM 1225 NE1 TRP A 77 -1.541 1.987 0.812 1.00 0.63 N ATOM 1226 CE2 TRP A 77 -1.813 1.421 2.044 1.00 0.57 C ATOM 1227 CE3 TRP A 77 -1.352 2.005 4.347 1.00 0.54 C ATOM 1228 CZ2 TRP A 77 -2.538 0.296 2.457 1.00 0.54 C ATOM 1229 CZ3 TRP A 77 -2.069 0.868 4.754 1.00 0.50 C ATOM 1230 CH2 TRP A 77 -2.617 -0.008 3.822 1.00 0.50 C ATOM 0 H TRP A 77 1.735 5.581 4.277 1.00 0.65 H new ATOM 0 HA TRP A 77 1.787 3.327 2.722 1.00 0.68 H new ATOM 0 HB2 TRP A 77 -0.175 4.741 3.785 1.00 0.72 H new ATOM 0 HB3 TRP A 77 -0.247 5.473 2.194 1.00 0.72 H new ATOM 0 HD1 TRP A 77 -0.664 3.863 0.116 1.00 0.67 H new ATOM 0 HE1 TRP A 77 -1.785 1.555 -0.080 1.00 0.63 H new ATOM 0 HE3 TRP A 77 -0.906 2.653 5.087 1.00 0.54 H new ATOM 0 HZ2 TRP A 77 -3.032 -0.331 1.730 1.00 0.54 H new ATOM 0 HZ3 TRP A 77 -2.197 0.670 5.808 1.00 0.50 H new ATOM 0 HH2 TRP A 77 -3.100 -0.917 4.149 1.00 0.50 H new ATOM 1241 N ARG A 78 1.741 5.945 0.685 1.00 0.49 N ATOM 1242 CA ARG A 78 2.277 6.420 -0.576 1.00 0.61 C ATOM 1243 C ARG A 78 3.738 5.986 -0.735 1.00 0.77 C ATOM 1244 O ARG A 78 4.017 5.356 -1.742 1.00 1.08 O ATOM 1245 CB ARG A 78 2.122 7.940 -0.742 1.00 0.76 C ATOM 1246 CG ARG A 78 2.504 8.763 0.488 1.00 1.48 C ATOM 1247 CD ARG A 78 2.710 10.237 0.133 1.00 2.10 C ATOM 1248 NE ARG A 78 4.017 10.485 -0.526 1.00 3.36 N ATOM 1249 CZ ARG A 78 4.902 11.459 -0.239 1.00 4.38 C ATOM 1250 NH1 ARG A 78 4.673 12.383 0.698 1.00 4.64 N ATOM 1251 NH2 ARG A 78 6.056 11.503 -0.899 1.00 5.76 N ATOM 0 H ARG A 78 1.131 6.610 1.160 1.00 0.49 H new ATOM 0 HA ARG A 78 1.692 5.962 -1.373 1.00 0.61 H new ATOM 0 HB2 ARG A 78 2.736 8.264 -1.583 1.00 0.76 H new ATOM 0 HB3 ARG A 78 1.086 8.159 -1.001 1.00 0.76 H new ATOM 0 HG2 ARG A 78 1.723 8.675 1.243 1.00 1.48 H new ATOM 0 HG3 ARG A 78 3.418 8.362 0.926 1.00 1.48 H new ATOM 0 HD2 ARG A 78 1.906 10.564 -0.526 1.00 2.10 H new ATOM 0 HD3 ARG A 78 2.644 10.839 1.040 1.00 2.10 H new ATOM 0 HE ARG A 78 4.273 9.847 -1.280 1.00 3.36 H new ATOM 0 HH11 ARG A 78 3.801 12.368 1.227 1.00 4.64 H new ATOM 0 HH12 ARG A 78 5.370 13.104 0.884 1.00 4.64 H new ATOM 0 HH21 ARG A 78 6.262 10.804 -1.613 1.00 5.76 H new ATOM 0 HH22 ARG A 78 6.735 12.235 -0.691 1.00 5.76 H new ATOM 1265 N LEU A 79 4.645 6.239 0.226 1.00 0.64 N ATOM 1266 CA LEU A 79 6.073 5.937 0.079 1.00 0.71 C ATOM 1267 C LEU A 79 6.336 4.506 -0.412 1.00 0.71 C ATOM 1268 O LEU A 79 7.133 4.339 -1.333 1.00 0.76 O ATOM 1269 CB LEU A 79 6.895 6.248 1.345 1.00 0.74 C ATOM 1270 CG LEU A 79 7.268 7.722 1.627 1.00 0.79 C ATOM 1271 CD1 LEU A 79 6.355 8.793 1.034 1.00 0.89 C ATOM 1272 CD2 LEU A 79 7.329 7.982 3.138 1.00 0.90 C ATOM 0 H LEU A 79 4.405 6.658 1.124 1.00 0.64 H new ATOM 0 HA LEU A 79 6.421 6.615 -0.700 1.00 0.71 H new ATOM 0 HB2 LEU A 79 6.338 5.875 2.204 1.00 0.74 H new ATOM 0 HB3 LEU A 79 7.820 5.674 1.291 1.00 0.74 H new ATOM 0 HG LEU A 79 8.232 7.821 1.128 1.00 0.79 H new ATOM 0 HD11 LEU A 79 6.728 9.780 1.306 1.00 0.89 H new ATOM 0 HD12 LEU A 79 6.339 8.697 -0.052 1.00 0.89 H new ATOM 0 HD13 LEU A 79 5.345 8.667 1.424 1.00 0.89 H new ATOM 0 HD21 LEU A 79 7.593 9.024 3.317 1.00 0.90 H new ATOM 0 HD22 LEU A 79 6.356 7.772 3.583 1.00 0.90 H new ATOM 0 HD23 LEU A 79 8.081 7.335 3.589 1.00 0.90 H new ATOM 1284 N ILE A 80 5.698 3.466 0.146 1.00 0.67 N ATOM 1285 CA ILE A 80 5.926 2.118 -0.399 1.00 0.69 C ATOM 1286 C ILE A 80 5.354 2.005 -1.829 1.00 0.67 C ATOM 1287 O ILE A 80 5.876 1.284 -2.677 1.00 0.70 O ATOM 1288 CB ILE A 80 5.487 0.968 0.539 1.00 0.69 C ATOM 1289 CG1 ILE A 80 4.005 0.632 0.369 1.00 0.71 C ATOM 1290 CG2 ILE A 80 5.855 1.236 2.000 1.00 0.69 C ATOM 1291 CD1 ILE A 80 3.476 -0.621 1.071 1.00 0.66 C ATOM 0 H ILE A 80 5.052 3.522 0.934 1.00 0.67 H new ATOM 0 HA ILE A 80 7.006 1.985 -0.466 1.00 0.69 H new ATOM 0 HB ILE A 80 6.050 0.084 0.239 1.00 0.69 H new ATOM 0 HG12 ILE A 80 3.425 1.485 0.722 1.00 0.71 H new ATOM 0 HG13 ILE A 80 3.804 0.529 -0.697 1.00 0.71 H new ATOM 0 HG21 ILE A 80 5.526 0.400 2.617 1.00 0.69 H new ATOM 0 HG22 ILE A 80 6.936 1.349 2.088 1.00 0.69 H new ATOM 0 HG23 ILE A 80 5.366 2.150 2.337 1.00 0.69 H new ATOM 0 HD11 ILE A 80 2.412 -0.733 0.862 1.00 0.66 H new ATOM 0 HD12 ILE A 80 4.012 -1.497 0.705 1.00 0.66 H new ATOM 0 HD13 ILE A 80 3.627 -0.527 2.146 1.00 0.66 H new ATOM 1303 N GLY A 81 4.278 2.738 -2.118 1.00 0.63 N ATOM 1304 CA GLY A 81 3.775 2.914 -3.472 1.00 0.62 C ATOM 1305 C GLY A 81 4.835 3.546 -4.376 1.00 0.54 C ATOM 1306 O GLY A 81 5.026 3.155 -5.528 1.00 0.51 O ATOM 0 H GLY A 81 3.730 3.228 -1.411 1.00 0.63 H new ATOM 0 HA2 GLY A 81 3.474 1.949 -3.880 1.00 0.62 H new ATOM 0 HA3 GLY A 81 2.886 3.544 -3.454 1.00 0.62 H new ATOM 1310 N GLU A 82 5.528 4.554 -3.849 1.00 0.64 N ATOM 1311 CA GLU A 82 6.597 5.238 -4.542 1.00 0.62 C ATOM 1312 C GLU A 82 7.734 4.237 -4.793 1.00 0.54 C ATOM 1313 O GLU A 82 8.218 4.159 -5.917 1.00 0.60 O ATOM 1314 CB GLU A 82 6.937 6.569 -3.844 1.00 0.70 C ATOM 1315 CG GLU A 82 5.620 7.308 -3.517 1.00 1.39 C ATOM 1316 CD GLU A 82 5.648 8.818 -3.493 1.00 1.61 C ATOM 1317 OE1 GLU A 82 5.470 9.373 -4.595 1.00 2.45 O ATOM 1318 OE2 GLU A 82 5.689 9.403 -2.389 1.00 2.79 O ATOM 0 H GLU A 82 5.353 4.918 -2.912 1.00 0.64 H new ATOM 0 HA GLU A 82 6.310 5.576 -5.538 1.00 0.62 H new ATOM 0 HB2 GLU A 82 7.503 6.383 -2.931 1.00 0.70 H new ATOM 0 HB3 GLU A 82 7.565 7.184 -4.488 1.00 0.70 H new ATOM 0 HG2 GLU A 82 4.872 6.998 -4.247 1.00 1.39 H new ATOM 0 HG3 GLU A 82 5.276 6.964 -2.542 1.00 1.39 H new ATOM 1325 N LEU A 83 8.046 3.359 -3.825 1.00 0.51 N ATOM 1326 CA LEU A 83 8.873 2.178 -4.092 1.00 0.55 C ATOM 1327 C LEU A 83 8.330 1.377 -5.283 1.00 0.53 C ATOM 1328 O LEU A 83 9.085 1.089 -6.214 1.00 0.62 O ATOM 1329 CB LEU A 83 9.071 1.269 -2.867 1.00 0.84 C ATOM 1330 CG LEU A 83 10.294 1.638 -2.017 1.00 1.00 C ATOM 1331 CD1 LEU A 83 10.087 2.943 -1.254 1.00 2.84 C ATOM 1332 CD2 LEU A 83 10.561 0.531 -0.998 1.00 1.91 C ATOM 0 H LEU A 83 7.738 3.447 -2.857 1.00 0.51 H new ATOM 0 HA LEU A 83 9.861 2.563 -4.345 1.00 0.55 H new ATOM 0 HB2 LEU A 83 8.178 1.315 -2.243 1.00 0.84 H new ATOM 0 HB3 LEU A 83 9.171 0.237 -3.204 1.00 0.84 H new ATOM 0 HG LEU A 83 11.136 1.760 -2.698 1.00 1.00 H new ATOM 0 HD11 LEU A 83 10.977 3.166 -0.666 1.00 2.84 H new ATOM 0 HD12 LEU A 83 9.907 3.753 -1.961 1.00 2.84 H new ATOM 0 HD13 LEU A 83 9.229 2.844 -0.590 1.00 2.84 H new ATOM 0 HD21 LEU A 83 11.430 0.794 -0.395 1.00 1.91 H new ATOM 0 HD22 LEU A 83 9.692 0.415 -0.351 1.00 1.91 H new ATOM 0 HD23 LEU A 83 10.752 -0.406 -1.521 1.00 1.91 H new ATOM 1344 N ALA A 84 7.040 1.009 -5.277 1.00 0.54 N ATOM 1345 CA ALA A 84 6.449 0.307 -6.413 1.00 0.70 C ATOM 1346 C ALA A 84 6.712 0.995 -7.768 1.00 0.77 C ATOM 1347 O ALA A 84 6.973 0.296 -8.744 1.00 0.95 O ATOM 1348 CB ALA A 84 4.958 0.032 -6.185 1.00 0.69 C ATOM 0 H ALA A 84 6.397 1.186 -4.505 1.00 0.54 H new ATOM 0 HA ALA A 84 6.960 -0.654 -6.475 1.00 0.70 H new ATOM 0 HB1 ALA A 84 4.548 -0.492 -7.049 1.00 0.69 H new ATOM 0 HB2 ALA A 84 4.834 -0.584 -5.295 1.00 0.69 H new ATOM 0 HB3 ALA A 84 4.430 0.976 -6.049 1.00 0.69 H new ATOM 1354 N LYS A 85 6.646 2.335 -7.861 1.00 0.74 N ATOM 1355 CA LYS A 85 6.967 3.025 -9.120 1.00 0.86 C ATOM 1356 C LYS A 85 8.476 3.189 -9.381 1.00 0.94 C ATOM 1357 O LYS A 85 8.876 3.159 -10.543 1.00 1.22 O ATOM 1358 CB LYS A 85 6.159 4.316 -9.353 1.00 1.06 C ATOM 1359 CG LYS A 85 6.132 5.313 -8.194 1.00 2.00 C ATOM 1360 CD LYS A 85 5.643 6.693 -8.678 1.00 2.12 C ATOM 1361 CE LYS A 85 5.215 7.629 -7.532 1.00 3.76 C ATOM 1362 NZ LYS A 85 6.333 8.339 -6.885 1.00 4.34 N ATOM 0 H LYS A 85 6.378 2.951 -7.094 1.00 0.74 H new ATOM 0 HA LYS A 85 6.624 2.338 -9.894 1.00 0.86 H new ATOM 0 HB2 LYS A 85 6.565 4.821 -10.230 1.00 1.06 H new ATOM 0 HB3 LYS A 85 5.132 4.039 -9.591 1.00 1.06 H new ATOM 0 HG2 LYS A 85 5.476 4.945 -7.405 1.00 2.00 H new ATOM 0 HG3 LYS A 85 7.129 5.405 -7.763 1.00 2.00 H new ATOM 0 HD2 LYS A 85 6.438 7.172 -9.250 1.00 2.12 H new ATOM 0 HD3 LYS A 85 4.802 6.554 -9.357 1.00 2.12 H new ATOM 0 HE2 LYS A 85 4.509 8.363 -7.921 1.00 3.76 H new ATOM 0 HE3 LYS A 85 4.685 7.045 -6.779 1.00 3.76 H new ATOM 0 HZ1 LYS A 85 6.021 8.713 -5.966 1.00 4.34 H new ATOM 0 HZ2 LYS A 85 7.125 7.681 -6.741 1.00 4.34 H new ATOM 0 HZ3 LYS A 85 6.642 9.125 -7.491 1.00 4.34 H new ATOM 1376 N GLU A 86 9.311 3.354 -8.343 1.00 0.73 N ATOM 1377 CA GLU A 86 10.770 3.248 -8.442 1.00 0.69 C ATOM 1378 C GLU A 86 11.133 1.912 -9.113 1.00 0.82 C ATOM 1379 O GLU A 86 11.458 1.870 -10.298 1.00 1.03 O ATOM 1380 CB GLU A 86 11.409 3.339 -7.036 1.00 0.58 C ATOM 1381 CG GLU A 86 11.779 4.752 -6.551 1.00 0.86 C ATOM 1382 CD GLU A 86 11.120 5.139 -5.230 1.00 1.15 C ATOM 1383 OE1 GLU A 86 11.361 4.443 -4.222 1.00 2.06 O ATOM 1384 OE2 GLU A 86 10.430 6.179 -5.201 1.00 1.94 O ATOM 0 H GLU A 86 8.985 3.567 -7.400 1.00 0.73 H new ATOM 0 HA GLU A 86 11.156 4.070 -9.044 1.00 0.69 H new ATOM 0 HB2 GLU A 86 10.719 2.899 -6.316 1.00 0.58 H new ATOM 0 HB3 GLU A 86 12.311 2.727 -7.029 1.00 0.58 H new ATOM 0 HG2 GLU A 86 12.861 4.817 -6.440 1.00 0.86 H new ATOM 0 HG3 GLU A 86 11.494 5.475 -7.315 1.00 0.86 H new ATOM 1391 N ILE A 87 11.121 0.817 -8.350 1.00 0.76 N ATOM 1392 CA ILE A 87 11.530 -0.493 -8.830 1.00 0.92 C ATOM 1393 C ILE A 87 10.363 -1.158 -9.565 1.00 0.93 C ATOM 1394 O ILE A 87 9.413 -1.646 -8.957 1.00 0.99 O ATOM 1395 CB ILE A 87 12.165 -1.324 -7.693 1.00 1.00 C ATOM 1396 CG1 ILE A 87 13.085 -2.451 -8.203 1.00 1.44 C ATOM 1397 CG2 ILE A 87 11.180 -1.853 -6.642 1.00 1.10 C ATOM 1398 CD1 ILE A 87 12.463 -3.438 -9.196 1.00 1.79 C ATOM 0 H ILE A 87 10.824 0.821 -7.374 1.00 0.76 H new ATOM 0 HA ILE A 87 12.327 -0.403 -9.568 1.00 0.92 H new ATOM 0 HB ILE A 87 12.785 -0.593 -7.174 1.00 1.00 H new ATOM 0 HG12 ILE A 87 13.956 -1.995 -8.674 1.00 1.44 H new ATOM 0 HG13 ILE A 87 13.446 -3.014 -7.342 1.00 1.44 H new ATOM 0 HG21 ILE A 87 11.723 -2.423 -5.888 1.00 1.10 H new ATOM 0 HG22 ILE A 87 10.671 -1.015 -6.166 1.00 1.10 H new ATOM 0 HG23 ILE A 87 10.445 -2.498 -7.124 1.00 1.10 H new ATOM 0 HD11 ILE A 87 13.205 -4.183 -9.482 1.00 1.79 H new ATOM 0 HD12 ILE A 87 11.611 -3.934 -8.731 1.00 1.79 H new ATOM 0 HD13 ILE A 87 12.129 -2.900 -10.083 1.00 1.79 H new ATOM 1410 N ARG A 88 10.460 -1.240 -10.892 1.00 1.00 N ATOM 1411 CA ARG A 88 9.446 -1.890 -11.701 1.00 1.08 C ATOM 1412 C ARG A 88 9.688 -3.401 -11.640 1.00 1.09 C ATOM 1413 O ARG A 88 10.452 -3.933 -12.443 1.00 1.23 O ATOM 1414 CB ARG A 88 9.549 -1.393 -13.153 1.00 1.28 C ATOM 1415 CG ARG A 88 9.275 0.109 -13.299 1.00 1.79 C ATOM 1416 CD ARG A 88 9.369 0.495 -14.782 1.00 1.82 C ATOM 1417 NE ARG A 88 9.129 1.933 -14.984 1.00 2.78 N ATOM 1418 CZ ARG A 88 9.120 2.542 -16.182 1.00 3.22 C ATOM 1419 NH1 ARG A 88 9.348 1.830 -17.293 1.00 2.89 N ATOM 1420 NH2 ARG A 88 8.885 3.856 -16.268 1.00 4.55 N ATOM 0 H ARG A 88 11.240 -0.859 -11.427 1.00 1.00 H new ATOM 0 HA ARG A 88 8.449 -1.657 -11.327 1.00 1.08 H new ATOM 0 HB2 ARG A 88 10.546 -1.613 -13.535 1.00 1.28 H new ATOM 0 HB3 ARG A 88 8.842 -1.946 -13.771 1.00 1.28 H new ATOM 0 HG2 ARG A 88 8.286 0.350 -12.910 1.00 1.79 H new ATOM 0 HG3 ARG A 88 9.996 0.681 -12.715 1.00 1.79 H new ATOM 0 HD2 ARG A 88 10.355 0.233 -15.165 1.00 1.82 H new ATOM 0 HD3 ARG A 88 8.641 -0.080 -15.355 1.00 1.82 H new ATOM 0 HE ARG A 88 8.958 2.507 -14.158 1.00 2.78 H new ATOM 0 HH11 ARG A 88 9.528 0.828 -17.229 1.00 2.89 H new ATOM 0 HH12 ARG A 88 9.342 2.290 -18.204 1.00 2.89 H new ATOM 0 HH21 ARG A 88 8.712 4.400 -15.422 1.00 4.55 H new ATOM 0 HH22 ARG A 88 8.879 4.314 -17.179 1.00 4.55 H new ATOM 1434 N LYS A 89 9.039 -4.095 -10.693 1.00 1.18 N ATOM 1435 CA LYS A 89 9.029 -5.557 -10.667 1.00 1.30 C ATOM 1436 C LYS A 89 8.639 -6.062 -12.058 1.00 1.56 C ATOM 1437 O LYS A 89 7.569 -5.717 -12.563 1.00 2.21 O ATOM 1438 CB LYS A 89 8.038 -6.124 -9.635 1.00 1.69 C ATOM 1439 CG LYS A 89 8.323 -5.821 -8.155 1.00 1.01 C ATOM 1440 CD LYS A 89 7.849 -4.425 -7.720 1.00 1.36 C ATOM 1441 CE LYS A 89 7.506 -4.360 -6.225 1.00 1.66 C ATOM 1442 NZ LYS A 89 8.650 -4.698 -5.355 1.00 2.54 N ATOM 0 H LYS A 89 8.514 -3.661 -9.934 1.00 1.18 H new ATOM 0 HA LYS A 89 10.025 -5.894 -10.381 1.00 1.30 H new ATOM 0 HB2 LYS A 89 7.045 -5.743 -9.874 1.00 1.69 H new ATOM 0 HB3 LYS A 89 8.002 -7.206 -9.759 1.00 1.69 H new ATOM 0 HG2 LYS A 89 7.833 -6.573 -7.536 1.00 1.01 H new ATOM 0 HG3 LYS A 89 9.394 -5.907 -7.973 1.00 1.01 H new ATOM 0 HD2 LYS A 89 8.627 -3.695 -7.943 1.00 1.36 H new ATOM 0 HD3 LYS A 89 6.972 -4.145 -8.303 1.00 1.36 H new ATOM 0 HE2 LYS A 89 7.156 -3.357 -5.982 1.00 1.66 H new ATOM 0 HE3 LYS A 89 6.684 -5.044 -6.017 1.00 1.66 H new ATOM 0 HZ1 LYS A 89 8.321 -4.803 -4.374 1.00 2.54 H new ATOM 0 HZ2 LYS A 89 9.077 -5.591 -5.674 1.00 2.54 H new ATOM 0 HZ3 LYS A 89 9.359 -3.938 -5.403 1.00 2.54 H new ATOM 1456 N LYS A 90 9.499 -6.865 -12.687 1.00 1.60 N ATOM 1457 CA LYS A 90 9.218 -7.413 -14.002 1.00 2.03 C ATOM 1458 C LYS A 90 7.956 -8.275 -13.893 1.00 2.13 C ATOM 1459 O LYS A 90 6.905 -7.932 -14.440 1.00 3.12 O ATOM 1460 CB LYS A 90 10.460 -8.164 -14.510 1.00 2.54 C ATOM 1461 CG LYS A 90 10.405 -8.461 -16.015 1.00 3.43 C ATOM 1462 CD LYS A 90 11.750 -9.049 -16.473 1.00 4.24 C ATOM 1463 CE LYS A 90 11.766 -9.281 -17.992 1.00 5.40 C ATOM 1464 NZ LYS A 90 13.069 -9.797 -18.465 1.00 6.35 N ATOM 0 H LYS A 90 10.399 -7.148 -12.299 1.00 1.60 H new ATOM 0 HA LYS A 90 9.014 -6.640 -14.743 1.00 2.03 H new ATOM 0 HB2 LYS A 90 11.350 -7.572 -14.294 1.00 2.54 H new ATOM 0 HB3 LYS A 90 10.560 -9.102 -13.963 1.00 2.54 H new ATOM 0 HG2 LYS A 90 9.598 -9.162 -16.229 1.00 3.43 H new ATOM 0 HG3 LYS A 90 10.188 -7.548 -16.569 1.00 3.43 H new ATOM 0 HD2 LYS A 90 12.559 -8.372 -16.197 1.00 4.24 H new ATOM 0 HD3 LYS A 90 11.933 -9.991 -15.956 1.00 4.24 H new ATOM 0 HE2 LYS A 90 10.979 -9.987 -18.258 1.00 5.40 H new ATOM 0 HE3 LYS A 90 11.541 -8.345 -18.503 1.00 5.40 H new ATOM 0 HZ1 LYS A 90 13.033 -9.938 -19.495 1.00 6.35 H new ATOM 0 HZ2 LYS A 90 13.818 -9.113 -18.235 1.00 6.35 H new ATOM 0 HZ3 LYS A 90 13.274 -10.703 -17.998 1.00 6.35 H new ATOM 1478 N LYS A 91 8.037 -9.355 -13.111 1.00 1.77 N ATOM 1479 CA LYS A 91 6.892 -10.199 -12.803 1.00 2.41 C ATOM 1480 C LYS A 91 7.078 -10.918 -11.462 1.00 2.42 C ATOM 1481 O LYS A 91 6.291 -10.711 -10.542 1.00 2.93 O ATOM 1482 CB LYS A 91 6.558 -11.134 -13.986 1.00 3.13 C ATOM 1483 CG LYS A 91 7.746 -11.936 -14.546 1.00 2.99 C ATOM 1484 CD LYS A 91 7.414 -12.705 -15.835 1.00 3.65 C ATOM 1485 CE LYS A 91 6.156 -13.590 -15.793 1.00 4.52 C ATOM 1486 NZ LYS A 91 6.137 -14.538 -14.659 1.00 5.32 N ATOM 0 H LYS A 91 8.905 -9.665 -12.674 1.00 1.77 H new ATOM 0 HA LYS A 91 6.012 -9.570 -12.672 1.00 2.41 H new ATOM 0 HB2 LYS A 91 5.786 -11.834 -13.667 1.00 3.13 H new ATOM 0 HB3 LYS A 91 6.133 -10.536 -14.792 1.00 3.13 H new ATOM 0 HG2 LYS A 91 8.574 -11.255 -14.742 1.00 2.99 H new ATOM 0 HG3 LYS A 91 8.087 -12.642 -13.789 1.00 2.99 H new ATOM 0 HD2 LYS A 91 7.299 -11.984 -16.644 1.00 3.65 H new ATOM 0 HD3 LYS A 91 8.267 -13.334 -16.088 1.00 3.65 H new ATOM 0 HE2 LYS A 91 5.274 -12.951 -15.737 1.00 4.52 H new ATOM 0 HE3 LYS A 91 6.085 -14.150 -16.725 1.00 4.52 H new ATOM 0 HZ1 LYS A 91 5.446 -15.292 -14.848 1.00 5.32 H new ATOM 0 HZ2 LYS A 91 7.082 -14.956 -14.540 1.00 5.32 H new ATOM 0 HZ3 LYS A 91 5.870 -14.034 -13.790 1.00 5.32 H new ATOM 1500 N ASP A 92 8.126 -11.736 -11.335 1.00 2.19 N ATOM 1501 CA ASP A 92 8.176 -12.794 -10.328 1.00 2.52 C ATOM 1502 C ASP A 92 9.211 -12.441 -9.265 1.00 1.97 C ATOM 1503 O ASP A 92 10.179 -13.171 -9.086 1.00 2.32 O ATOM 1504 CB ASP A 92 8.523 -14.139 -10.994 1.00 3.16 C ATOM 1505 CG ASP A 92 7.598 -14.518 -12.135 1.00 4.31 C ATOM 1506 OD1 ASP A 92 6.422 -14.089 -12.139 1.00 5.01 O ATOM 1507 OD2 ASP A 92 8.080 -15.132 -13.114 1.00 5.06 O ATOM 0 H ASP A 92 8.957 -11.683 -11.924 1.00 2.19 H new ATOM 0 HA ASP A 92 7.200 -12.886 -9.852 1.00 2.52 H new ATOM 0 HB2 ASP A 92 9.546 -14.094 -11.368 1.00 3.16 H new ATOM 0 HB3 ASP A 92 8.494 -14.925 -10.239 1.00 3.16 H new ATOM 1512 N LEU A 93 9.035 -11.307 -8.580 1.00 1.52 N ATOM 1513 CA LEU A 93 10.085 -10.724 -7.743 1.00 1.09 C ATOM 1514 C LEU A 93 10.785 -11.732 -6.810 1.00 0.97 C ATOM 1515 O LEU A 93 12.012 -11.742 -6.743 1.00 1.11 O ATOM 1516 CB LEU A 93 9.627 -9.413 -7.075 1.00 1.49 C ATOM 1517 CG LEU A 93 8.735 -9.472 -5.821 1.00 1.38 C ATOM 1518 CD1 LEU A 93 7.492 -10.355 -5.986 1.00 2.79 C ATOM 1519 CD2 LEU A 93 9.515 -9.785 -4.534 1.00 2.94 C ATOM 0 H LEU A 93 8.167 -10.772 -8.590 1.00 1.52 H new ATOM 0 HA LEU A 93 10.892 -10.434 -8.416 1.00 1.09 H new ATOM 0 HB2 LEU A 93 10.523 -8.850 -6.812 1.00 1.49 H new ATOM 0 HB3 LEU A 93 9.094 -8.832 -7.828 1.00 1.49 H new ATOM 0 HG LEU A 93 8.357 -8.456 -5.705 1.00 1.38 H new ATOM 0 HD11 LEU A 93 6.914 -10.346 -5.062 1.00 2.79 H new ATOM 0 HD12 LEU A 93 6.879 -9.971 -6.801 1.00 2.79 H new ATOM 0 HD13 LEU A 93 7.799 -11.376 -6.213 1.00 2.79 H new ATOM 0 HD21 LEU A 93 8.827 -9.812 -3.689 1.00 2.94 H new ATOM 0 HD22 LEU A 93 10.006 -10.753 -4.633 1.00 2.94 H new ATOM 0 HD23 LEU A 93 10.266 -9.013 -4.366 1.00 2.94 H new ATOM 1531 N LYS A 94 10.035 -12.634 -6.160 1.00 1.01 N ATOM 1532 CA LYS A 94 10.580 -13.609 -5.217 1.00 1.02 C ATOM 1533 C LYS A 94 11.645 -14.520 -5.847 1.00 1.11 C ATOM 1534 O LYS A 94 12.433 -15.119 -5.121 1.00 1.24 O ATOM 1535 CB LYS A 94 9.459 -14.434 -4.559 1.00 1.29 C ATOM 1536 CG LYS A 94 8.693 -13.667 -3.468 1.00 1.44 C ATOM 1537 CD LYS A 94 7.609 -14.573 -2.849 1.00 1.72 C ATOM 1538 CE LYS A 94 7.491 -14.460 -1.319 1.00 2.52 C ATOM 1539 NZ LYS A 94 6.918 -13.176 -0.880 1.00 3.08 N ATOM 0 H LYS A 94 9.024 -12.704 -6.278 1.00 1.01 H new ATOM 0 HA LYS A 94 11.085 -13.037 -4.439 1.00 1.02 H new ATOM 0 HB2 LYS A 94 8.756 -14.755 -5.328 1.00 1.29 H new ATOM 0 HB3 LYS A 94 9.890 -15.336 -4.124 1.00 1.29 H new ATOM 0 HG2 LYS A 94 9.384 -13.332 -2.694 1.00 1.44 H new ATOM 0 HG3 LYS A 94 8.234 -12.775 -3.893 1.00 1.44 H new ATOM 0 HD2 LYS A 94 6.646 -14.326 -3.296 1.00 1.72 H new ATOM 0 HD3 LYS A 94 7.825 -15.609 -3.110 1.00 1.72 H new ATOM 0 HE2 LYS A 94 6.870 -15.275 -0.947 1.00 2.52 H new ATOM 0 HE3 LYS A 94 8.478 -14.582 -0.874 1.00 2.52 H new ATOM 0 HZ1 LYS A 94 6.847 -13.164 0.158 1.00 3.08 H new ATOM 0 HZ2 LYS A 94 7.531 -12.397 -1.194 1.00 3.08 H new ATOM 0 HZ3 LYS A 94 5.971 -13.059 -1.293 1.00 3.08 H new ATOM 1553 N ILE A 95 11.697 -14.635 -7.181 1.00 1.17 N ATOM 1554 CA ILE A 95 12.776 -15.333 -7.867 1.00 1.34 C ATOM 1555 C ILE A 95 14.154 -14.809 -7.437 1.00 1.39 C ATOM 1556 O ILE A 95 15.135 -15.548 -7.454 1.00 1.53 O ATOM 1557 CB ILE A 95 12.553 -15.207 -9.385 1.00 1.40 C ATOM 1558 CG1 ILE A 95 13.257 -16.343 -10.134 1.00 1.87 C ATOM 1559 CG2 ILE A 95 12.993 -13.837 -9.933 1.00 2.07 C ATOM 1560 CD1 ILE A 95 12.837 -16.357 -11.603 1.00 2.08 C ATOM 0 H ILE A 95 10.992 -14.246 -7.807 1.00 1.17 H new ATOM 0 HA ILE A 95 12.762 -16.388 -7.592 1.00 1.34 H new ATOM 0 HB ILE A 95 11.479 -15.287 -9.555 1.00 1.40 H new ATOM 0 HG12 ILE A 95 14.338 -16.220 -10.060 1.00 1.87 H new ATOM 0 HG13 ILE A 95 13.012 -17.299 -9.671 1.00 1.87 H new ATOM 0 HG21 ILE A 95 12.814 -13.801 -11.008 1.00 2.07 H new ATOM 0 HG22 ILE A 95 12.421 -13.049 -9.443 1.00 2.07 H new ATOM 0 HG23 ILE A 95 14.055 -13.691 -9.737 1.00 2.07 H new ATOM 0 HD11 ILE A 95 13.347 -17.170 -12.119 1.00 2.08 H new ATOM 0 HD12 ILE A 95 11.759 -16.503 -11.672 1.00 2.08 H new ATOM 0 HD13 ILE A 95 13.105 -15.408 -12.067 1.00 2.08 H new ATOM 1572 N ARG A 96 14.232 -13.521 -7.083 1.00 1.36 N ATOM 1573 CA ARG A 96 15.399 -12.804 -6.589 1.00 1.54 C ATOM 1574 C ARG A 96 16.494 -12.578 -7.635 1.00 1.77 C ATOM 1575 O ARG A 96 17.051 -11.481 -7.700 1.00 2.33 O ATOM 1576 CB ARG A 96 15.981 -13.421 -5.308 1.00 1.73 C ATOM 1577 CG ARG A 96 17.127 -12.575 -4.713 1.00 2.19 C ATOM 1578 CD ARG A 96 16.739 -11.105 -4.459 1.00 3.38 C ATOM 1579 NE ARG A 96 17.867 -10.251 -4.074 1.00 3.98 N ATOM 1580 CZ ARG A 96 18.802 -9.771 -4.910 1.00 4.87 C ATOM 1581 NH1 ARG A 96 18.865 -10.174 -6.184 1.00 5.39 N ATOM 1582 NH2 ARG A 96 19.655 -8.853 -4.453 1.00 5.87 N ATOM 0 H ARG A 96 13.416 -12.912 -7.141 1.00 1.36 H new ATOM 0 HA ARG A 96 15.012 -11.816 -6.339 1.00 1.54 H new ATOM 0 HB2 ARG A 96 15.189 -13.526 -4.567 1.00 1.73 H new ATOM 0 HB3 ARG A 96 16.349 -14.424 -5.526 1.00 1.73 H new ATOM 0 HG2 ARG A 96 17.450 -13.025 -3.774 1.00 2.19 H new ATOM 0 HG3 ARG A 96 17.980 -12.605 -5.391 1.00 2.19 H new ATOM 0 HD2 ARG A 96 16.280 -10.700 -5.361 1.00 3.38 H new ATOM 0 HD3 ARG A 96 15.984 -11.069 -3.674 1.00 3.38 H new ATOM 0 HE ARG A 96 17.948 -10.000 -3.089 1.00 3.98 H new ATOM 0 HH11 ARG A 96 18.195 -10.858 -6.536 1.00 5.39 H new ATOM 0 HH12 ARG A 96 19.583 -9.797 -6.803 1.00 5.39 H new ATOM 0 HH21 ARG A 96 19.588 -8.531 -3.488 1.00 5.87 H new ATOM 0 HH22 ARG A 96 20.374 -8.473 -5.069 1.00 5.87 H new ATOM 1681 N GLU B 4 12.199 -14.744 -0.935 1.00 1.83 N ATOM 1682 CA GLU B 4 13.520 -14.166 -1.163 1.00 1.49 C ATOM 1683 C GLU B 4 13.895 -13.580 0.205 1.00 1.40 C ATOM 1684 O GLU B 4 13.052 -13.643 1.103 1.00 1.99 O ATOM 1685 CB GLU B 4 13.527 -13.161 -2.329 1.00 1.51 C ATOM 1686 CG GLU B 4 12.874 -11.795 -2.090 1.00 1.90 C ATOM 1687 CD GLU B 4 13.542 -10.697 -2.916 1.00 2.57 C ATOM 1688 OE1 GLU B 4 13.383 -10.711 -4.156 1.00 3.25 O ATOM 1689 OE2 GLU B 4 14.278 -9.895 -2.305 1.00 3.36 O ATOM 0 HA GLU B 4 14.264 -14.891 -1.492 1.00 1.49 H new ATOM 0 HB2 GLU B 4 14.563 -12.992 -2.621 1.00 1.51 H new ATOM 0 HB3 GLU B 4 13.029 -13.628 -3.179 1.00 1.51 H new ATOM 0 HG2 GLU B 4 11.815 -11.848 -2.344 1.00 1.90 H new ATOM 0 HG3 GLU B 4 12.936 -11.542 -1.031 1.00 1.90 H new ATOM 1696 N PRO B 5 15.083 -13.007 0.439 1.00 1.38 N ATOM 1697 CA PRO B 5 15.444 -12.558 1.775 1.00 1.64 C ATOM 1698 C PRO B 5 14.783 -11.208 2.114 1.00 1.57 C ATOM 1699 O PRO B 5 15.408 -10.362 2.750 1.00 1.85 O ATOM 1700 CB PRO B 5 16.975 -12.520 1.751 1.00 2.29 C ATOM 1701 CG PRO B 5 17.316 -12.176 0.299 1.00 2.24 C ATOM 1702 CD PRO B 5 16.129 -12.693 -0.520 1.00 1.73 C ATOM 0 HA PRO B 5 15.086 -13.215 2.567 1.00 1.64 H new ATOM 0 HB2 PRO B 5 17.366 -11.772 2.441 1.00 2.29 H new ATOM 0 HB3 PRO B 5 17.402 -13.479 2.045 1.00 2.29 H new ATOM 0 HG2 PRO B 5 17.448 -11.102 0.168 1.00 2.24 H new ATOM 0 HG3 PRO B 5 18.247 -12.651 -0.011 1.00 2.24 H new ATOM 0 HD2 PRO B 5 15.791 -11.941 -1.233 1.00 1.73 H new ATOM 0 HD3 PRO B 5 16.408 -13.576 -1.095 1.00 1.73 H new ATOM 1710 N LEU B 6 13.522 -11.008 1.709 1.00 1.46 N ATOM 1711 CA LEU B 6 12.754 -9.798 1.960 1.00 1.61 C ATOM 1712 C LEU B 6 11.940 -9.925 3.245 1.00 1.36 C ATOM 1713 O LEU B 6 11.900 -10.986 3.869 1.00 1.50 O ATOM 1714 CB LEU B 6 11.880 -9.451 0.741 1.00 1.84 C ATOM 1715 CG LEU B 6 10.498 -10.130 0.645 1.00 1.61 C ATOM 1716 CD1 LEU B 6 9.886 -9.788 -0.717 1.00 2.74 C ATOM 1717 CD2 LEU B 6 10.475 -11.654 0.799 1.00 2.28 C ATOM 0 H LEU B 6 13.000 -11.709 1.183 1.00 1.46 H new ATOM 0 HA LEU B 6 13.444 -8.968 2.108 1.00 1.61 H new ATOM 0 HB2 LEU B 6 11.727 -8.372 0.732 1.00 1.84 H new ATOM 0 HB3 LEU B 6 12.442 -9.701 -0.159 1.00 1.84 H new ATOM 0 HG LEU B 6 9.935 -9.742 1.494 1.00 1.61 H new ATOM 0 HD11 LEU B 6 8.907 -10.259 -0.805 1.00 2.74 H new ATOM 0 HD12 LEU B 6 9.778 -8.707 -0.806 1.00 2.74 H new ATOM 0 HD13 LEU B 6 10.537 -10.154 -1.511 1.00 2.74 H new ATOM 0 HD21 LEU B 6 9.449 -12.013 0.713 1.00 2.28 H new ATOM 0 HD22 LEU B 6 11.085 -12.108 0.018 1.00 2.28 H new ATOM 0 HD23 LEU B 6 10.874 -11.927 1.776 1.00 2.28 H new ATOM 1729 N THR B 7 11.265 -8.839 3.622 1.00 1.20 N ATOM 1730 CA THR B 7 10.438 -8.779 4.817 1.00 1.04 C ATOM 1731 C THR B 7 9.025 -8.306 4.469 1.00 0.99 C ATOM 1732 O THR B 7 8.772 -7.760 3.394 1.00 1.15 O ATOM 1733 CB THR B 7 11.145 -7.878 5.838 1.00 1.07 C ATOM 1734 OG1 THR B 7 12.359 -8.479 6.228 1.00 1.53 O ATOM 1735 CG2 THR B 7 10.346 -7.531 7.101 1.00 1.12 C ATOM 0 H THR B 7 11.281 -7.966 3.095 1.00 1.20 H new ATOM 0 HA THR B 7 10.316 -9.767 5.260 1.00 1.04 H new ATOM 0 HB THR B 7 11.290 -6.932 5.316 1.00 1.07 H new ATOM 0 HG1 THR B 7 12.967 -7.793 6.574 1.00 1.53 H new ATOM 0 HG21 THR B 7 10.947 -6.891 7.747 1.00 1.12 H new ATOM 0 HG22 THR B 7 9.431 -7.008 6.821 1.00 1.12 H new ATOM 0 HG23 THR B 7 10.091 -8.447 7.634 1.00 1.12 H new ATOM 1743 N GLU B 8 8.116 -8.529 5.418 1.00 0.94 N ATOM 1744 CA GLU B 8 6.679 -8.308 5.375 1.00 0.97 C ATOM 1745 C GLU B 8 6.256 -7.001 4.698 1.00 0.94 C ATOM 1746 O GLU B 8 5.228 -6.944 4.027 1.00 1.01 O ATOM 1747 CB GLU B 8 6.157 -8.353 6.810 1.00 1.06 C ATOM 1748 CG GLU B 8 6.651 -9.608 7.540 1.00 1.61 C ATOM 1749 CD GLU B 8 5.541 -10.281 8.321 1.00 2.26 C ATOM 1750 OE1 GLU B 8 4.759 -9.543 8.965 1.00 3.24 O ATOM 1751 OE2 GLU B 8 5.523 -11.533 8.219 1.00 3.23 O ATOM 0 H GLU B 8 8.400 -8.906 6.322 1.00 0.94 H new ATOM 0 HA GLU B 8 6.246 -9.095 4.758 1.00 0.97 H new ATOM 0 HB2 GLU B 8 6.485 -7.463 7.347 1.00 1.06 H new ATOM 0 HB3 GLU B 8 5.067 -8.338 6.804 1.00 1.06 H new ATOM 0 HG2 GLU B 8 7.063 -10.311 6.816 1.00 1.61 H new ATOM 0 HG3 GLU B 8 7.460 -9.338 8.218 1.00 1.61 H new ATOM 1758 N LEU B 9 7.032 -5.935 4.900 1.00 0.91 N ATOM 1759 CA LEU B 9 6.744 -4.650 4.284 1.00 0.98 C ATOM 1760 C LEU B 9 6.766 -4.827 2.770 1.00 1.07 C ATOM 1761 O LEU B 9 5.760 -4.586 2.107 1.00 1.21 O ATOM 1762 CB LEU B 9 7.714 -3.568 4.783 1.00 1.02 C ATOM 1763 CG LEU B 9 7.844 -3.564 6.316 1.00 1.03 C ATOM 1764 CD1 LEU B 9 8.560 -2.315 6.812 1.00 2.31 C ATOM 1765 CD2 LEU B 9 6.495 -3.610 7.036 1.00 2.28 C ATOM 0 H LEU B 9 7.866 -5.942 5.488 1.00 0.91 H new ATOM 0 HA LEU B 9 5.752 -4.302 4.572 1.00 0.98 H new ATOM 0 HB2 LEU B 9 8.696 -3.730 4.338 1.00 1.02 H new ATOM 0 HB3 LEU B 9 7.369 -2.590 4.447 1.00 1.02 H new ATOM 0 HG LEU B 9 8.412 -4.466 6.545 1.00 1.03 H new ATOM 0 HD11 LEU B 9 8.634 -2.346 7.899 1.00 2.31 H new ATOM 0 HD12 LEU B 9 9.560 -2.274 6.381 1.00 2.31 H new ATOM 0 HD13 LEU B 9 7.999 -1.430 6.511 1.00 2.31 H new ATOM 0 HD21 LEU B 9 6.657 -3.605 8.114 1.00 2.28 H new ATOM 0 HD22 LEU B 9 5.902 -2.740 6.754 1.00 2.28 H new ATOM 0 HD23 LEU B 9 5.963 -4.518 6.754 1.00 2.28 H new ATOM 1777 N GLU B 10 7.882 -5.330 2.234 1.00 1.08 N ATOM 1778 CA GLU B 10 7.905 -5.728 0.824 1.00 1.12 C ATOM 1779 C GLU B 10 6.779 -6.705 0.491 1.00 1.09 C ATOM 1780 O GLU B 10 6.067 -6.508 -0.492 1.00 1.18 O ATOM 1781 CB GLU B 10 9.252 -6.305 0.387 1.00 1.05 C ATOM 1782 CG GLU B 10 9.548 -5.927 -1.078 1.00 1.48 C ATOM 1783 CD GLU B 10 8.573 -6.397 -2.145 1.00 2.14 C ATOM 1784 OE1 GLU B 10 8.248 -7.595 -2.157 1.00 3.08 O ATOM 1785 OE2 GLU B 10 8.221 -5.543 -2.989 1.00 2.93 O ATOM 0 H GLU B 10 8.758 -5.469 2.738 1.00 1.08 H new ATOM 0 HA GLU B 10 7.747 -4.809 0.259 1.00 1.12 H new ATOM 0 HB2 GLU B 10 10.044 -5.927 1.034 1.00 1.05 H new ATOM 0 HB3 GLU B 10 9.243 -7.390 0.495 1.00 1.05 H new ATOM 0 HG2 GLU B 10 9.610 -4.840 -1.137 1.00 1.48 H new ATOM 0 HG3 GLU B 10 10.534 -6.317 -1.331 1.00 1.48 H new ATOM 1792 N GLU B 11 6.554 -7.720 1.332 1.00 1.04 N ATOM 1793 CA GLU B 11 5.454 -8.649 1.077 1.00 1.09 C ATOM 1794 C GLU B 11 4.101 -7.949 0.902 1.00 1.04 C ATOM 1795 O GLU B 11 3.215 -8.470 0.224 1.00 1.15 O ATOM 1796 CB GLU B 11 5.379 -9.770 2.107 1.00 1.12 C ATOM 1797 CG GLU B 11 6.724 -10.497 2.214 1.00 2.29 C ATOM 1798 CD GLU B 11 6.508 -11.936 2.628 1.00 2.32 C ATOM 1799 OE1 GLU B 11 6.333 -12.159 3.845 1.00 3.01 O ATOM 1800 OE2 GLU B 11 6.521 -12.788 1.712 1.00 2.64 O ATOM 0 H GLU B 11 7.102 -7.914 2.170 1.00 1.04 H new ATOM 0 HA GLU B 11 5.687 -9.113 0.119 1.00 1.09 H new ATOM 0 HB2 GLU B 11 5.103 -9.360 3.079 1.00 1.12 H new ATOM 0 HB3 GLU B 11 4.599 -10.477 1.826 1.00 1.12 H new ATOM 0 HG2 GLU B 11 7.243 -10.460 1.256 1.00 2.29 H new ATOM 0 HG3 GLU B 11 7.361 -9.993 2.941 1.00 2.29 H new ATOM 1807 N SER B 12 3.931 -6.749 1.467 1.00 0.99 N ATOM 1808 CA SER B 12 2.672 -6.040 1.334 1.00 1.02 C ATOM 1809 C SER B 12 2.558 -5.454 -0.074 1.00 0.99 C ATOM 1810 O SER B 12 1.463 -5.193 -0.564 1.00 1.32 O ATOM 1811 CB SER B 12 2.595 -4.948 2.396 1.00 1.14 C ATOM 1812 OG SER B 12 2.828 -5.491 3.686 1.00 1.86 O ATOM 0 H SER B 12 4.643 -6.261 2.011 1.00 0.99 H new ATOM 0 HA SER B 12 1.838 -6.726 1.483 1.00 1.02 H new ATOM 0 HB2 SER B 12 3.331 -4.173 2.183 1.00 1.14 H new ATOM 0 HB3 SER B 12 1.614 -4.473 2.367 1.00 1.14 H new ATOM 0 HG SER B 12 3.740 -5.846 3.731 1.00 1.86 H new ATOM 1818 N ILE B 13 3.706 -5.217 -0.709 1.00 0.77 N ATOM 1819 CA ILE B 13 3.828 -4.663 -2.036 1.00 0.76 C ATOM 1820 C ILE B 13 3.620 -5.760 -3.073 1.00 0.71 C ATOM 1821 O ILE B 13 2.745 -5.635 -3.933 1.00 0.71 O ATOM 1822 CB ILE B 13 5.192 -3.973 -2.202 1.00 0.76 C ATOM 1823 CG1 ILE B 13 5.445 -3.001 -1.043 1.00 0.90 C ATOM 1824 CG2 ILE B 13 5.327 -3.226 -3.535 1.00 0.78 C ATOM 1825 CD1 ILE B 13 6.861 -2.463 -1.077 1.00 0.95 C ATOM 0 H ILE B 13 4.611 -5.419 -0.284 1.00 0.77 H new ATOM 0 HA ILE B 13 3.058 -3.906 -2.187 1.00 0.76 H new ATOM 0 HB ILE B 13 5.940 -4.766 -2.196 1.00 0.76 H new ATOM 0 HG12 ILE B 13 4.738 -2.174 -1.098 1.00 0.90 H new ATOM 0 HG13 ILE B 13 5.269 -3.508 -0.095 1.00 0.90 H new ATOM 0 HG21 ILE B 13 6.311 -2.760 -3.593 1.00 0.78 H new ATOM 0 HG22 ILE B 13 5.209 -3.929 -4.360 1.00 0.78 H new ATOM 0 HG23 ILE B 13 4.557 -2.457 -3.601 1.00 0.78 H new ATOM 0 HD11 ILE B 13 7.010 -1.777 -0.243 1.00 0.95 H new ATOM 0 HD12 ILE B 13 7.566 -3.290 -0.997 1.00 0.95 H new ATOM 0 HD13 ILE B 13 7.027 -1.934 -2.016 1.00 0.95 H new ATOM 1837 N GLU B 14 4.433 -6.825 -3.020 1.00 0.75 N ATOM 1838 CA GLU B 14 4.380 -7.856 -4.048 1.00 0.80 C ATOM 1839 C GLU B 14 2.963 -8.400 -4.224 1.00 0.78 C ATOM 1840 O GLU B 14 2.497 -8.579 -5.349 1.00 0.82 O ATOM 1841 CB GLU B 14 5.379 -8.983 -3.827 1.00 1.01 C ATOM 1842 CG GLU B 14 5.420 -9.511 -2.403 1.00 1.33 C ATOM 1843 CD GLU B 14 5.994 -10.912 -2.356 1.00 2.23 C ATOM 1844 OE1 GLU B 14 7.231 -11.063 -2.286 1.00 3.25 O ATOM 1845 OE2 GLU B 14 5.203 -11.881 -2.321 1.00 2.94 O ATOM 0 H GLU B 14 5.122 -6.988 -2.286 1.00 0.75 H new ATOM 0 HA GLU B 14 4.676 -7.366 -4.976 1.00 0.80 H new ATOM 0 HB2 GLU B 14 5.136 -9.805 -4.500 1.00 1.01 H new ATOM 0 HB3 GLU B 14 6.373 -8.630 -4.100 1.00 1.01 H new ATOM 0 HG2 GLU B 14 6.023 -8.847 -1.783 1.00 1.33 H new ATOM 0 HG3 GLU B 14 4.414 -9.513 -1.984 1.00 1.33 H new ATOM 1852 N THR B 15 2.256 -8.628 -3.115 1.00 0.76 N ATOM 1853 CA THR B 15 0.912 -9.173 -3.185 1.00 0.84 C ATOM 1854 C THR B 15 -0.006 -8.256 -3.981 1.00 0.80 C ATOM 1855 O THR B 15 -0.928 -8.741 -4.622 1.00 0.87 O ATOM 1856 CB THR B 15 0.308 -9.462 -1.808 1.00 0.95 C ATOM 1857 OG1 THR B 15 1.269 -10.023 -0.937 1.00 1.00 O ATOM 1858 CG2 THR B 15 -0.397 -8.252 -1.199 1.00 1.79 C ATOM 0 H THR B 15 2.593 -8.444 -2.170 1.00 0.76 H new ATOM 0 HA THR B 15 0.999 -10.130 -3.700 1.00 0.84 H new ATOM 0 HB THR B 15 -0.474 -10.207 -1.956 1.00 0.95 H new ATOM 0 HG1 THR B 15 1.827 -9.310 -0.563 1.00 1.00 H new ATOM 0 HG21 THR B 15 -0.804 -8.521 -0.224 1.00 1.79 H new ATOM 0 HG22 THR B 15 0.316 -7.436 -1.082 1.00 1.79 H new ATOM 0 HG23 THR B 15 -1.207 -7.935 -1.855 1.00 1.79 H new ATOM 1866 N VAL B 16 0.199 -6.938 -3.917 1.00 0.80 N ATOM 1867 CA VAL B 16 -0.667 -5.983 -4.579 1.00 0.74 C ATOM 1868 C VAL B 16 -0.386 -6.045 -6.076 1.00 0.71 C ATOM 1869 O VAL B 16 -1.303 -6.228 -6.873 1.00 0.74 O ATOM 1870 CB VAL B 16 -0.433 -4.586 -3.993 1.00 0.72 C ATOM 1871 CG1 VAL B 16 -1.014 -3.500 -4.897 1.00 0.70 C ATOM 1872 CG2 VAL B 16 -1.069 -4.452 -2.609 1.00 0.96 C ATOM 0 H VAL B 16 0.971 -6.512 -3.404 1.00 0.80 H new ATOM 0 HA VAL B 16 -1.718 -6.221 -4.418 1.00 0.74 H new ATOM 0 HB VAL B 16 0.647 -4.458 -3.915 1.00 0.72 H new ATOM 0 HG11 VAL B 16 -0.832 -2.521 -4.453 1.00 0.70 H new ATOM 0 HG12 VAL B 16 -0.538 -3.549 -5.876 1.00 0.70 H new ATOM 0 HG13 VAL B 16 -2.087 -3.654 -5.007 1.00 0.70 H new ATOM 0 HG21 VAL B 16 -0.886 -3.450 -2.220 1.00 0.96 H new ATOM 0 HG22 VAL B 16 -2.143 -4.621 -2.684 1.00 0.96 H new ATOM 0 HG23 VAL B 16 -0.632 -5.189 -1.935 1.00 0.96 H new ATOM 1882 N VAL B 17 0.883 -5.905 -6.468 1.00 0.73 N ATOM 1883 CA VAL B 17 1.249 -5.970 -7.879 1.00 0.80 C ATOM 1884 C VAL B 17 0.837 -7.323 -8.480 1.00 0.76 C ATOM 1885 O VAL B 17 0.378 -7.377 -9.621 1.00 0.82 O ATOM 1886 CB VAL B 17 2.731 -5.612 -8.100 1.00 0.73 C ATOM 1887 CG1 VAL B 17 3.004 -4.163 -7.677 1.00 1.01 C ATOM 1888 CG2 VAL B 17 3.679 -6.530 -7.329 1.00 0.69 C ATOM 0 H VAL B 17 1.665 -5.747 -5.833 1.00 0.73 H new ATOM 0 HA VAL B 17 0.690 -5.209 -8.424 1.00 0.80 H new ATOM 0 HB VAL B 17 2.920 -5.741 -9.166 1.00 0.73 H new ATOM 0 HG11 VAL B 17 4.056 -3.928 -7.840 1.00 1.01 H new ATOM 0 HG12 VAL B 17 2.386 -3.488 -8.269 1.00 1.01 H new ATOM 0 HG13 VAL B 17 2.765 -4.041 -6.621 1.00 1.01 H new ATOM 0 HG21 VAL B 17 4.710 -6.233 -7.521 1.00 0.69 H new ATOM 0 HG22 VAL B 17 3.472 -6.453 -6.262 1.00 0.69 H new ATOM 0 HG23 VAL B 17 3.532 -7.560 -7.654 1.00 0.69 H new ATOM 1898 N THR B 18 0.931 -8.402 -7.697 1.00 0.74 N ATOM 1899 CA THR B 18 0.306 -9.675 -8.015 1.00 0.80 C ATOM 1900 C THR B 18 -1.196 -9.478 -8.196 1.00 0.77 C ATOM 1901 O THR B 18 -1.729 -9.770 -9.264 1.00 0.81 O ATOM 1902 CB THR B 18 0.624 -10.697 -6.910 1.00 0.97 C ATOM 1903 OG1 THR B 18 1.927 -11.200 -7.121 1.00 1.66 O ATOM 1904 CG2 THR B 18 -0.383 -11.849 -6.831 1.00 1.26 C ATOM 0 H THR B 18 1.449 -8.409 -6.818 1.00 0.74 H new ATOM 0 HA THR B 18 0.704 -10.065 -8.952 1.00 0.80 H new ATOM 0 HB THR B 18 0.556 -10.177 -5.954 1.00 0.97 H new ATOM 0 HG1 THR B 18 2.143 -11.852 -6.422 1.00 1.66 H new ATOM 0 HG21 THR B 18 -0.095 -12.530 -6.030 1.00 1.26 H new ATOM 0 HG22 THR B 18 -1.377 -11.450 -6.628 1.00 1.26 H new ATOM 0 HG23 THR B 18 -0.394 -12.388 -7.778 1.00 1.26 H new ATOM 1912 N THR B 19 -1.896 -8.997 -7.167 1.00 0.77 N ATOM 1913 CA THR B 19 -3.346 -8.959 -7.188 1.00 0.84 C ATOM 1914 C THR B 19 -3.889 -8.107 -8.344 1.00 0.78 C ATOM 1915 O THR B 19 -4.950 -8.420 -8.867 1.00 0.85 O ATOM 1916 CB THR B 19 -3.854 -8.557 -5.803 1.00 1.01 C ATOM 1917 OG1 THR B 19 -3.504 -9.567 -4.881 1.00 1.19 O ATOM 1918 CG2 THR B 19 -5.371 -8.385 -5.743 1.00 1.20 C ATOM 0 H THR B 19 -1.476 -8.630 -6.313 1.00 0.77 H new ATOM 0 HA THR B 19 -3.740 -9.953 -7.398 1.00 0.84 H new ATOM 0 HB THR B 19 -3.396 -7.597 -5.566 1.00 1.01 H new ATOM 0 HG1 THR B 19 -2.567 -9.458 -4.616 1.00 1.19 H new ATOM 0 HG21 THR B 19 -5.665 -8.100 -4.733 1.00 1.20 H new ATOM 0 HG22 THR B 19 -5.677 -7.608 -6.443 1.00 1.20 H new ATOM 0 HG23 THR B 19 -5.855 -9.325 -6.010 1.00 1.20 H new ATOM 1926 N PHE B 20 -3.162 -7.081 -8.804 1.00 0.74 N ATOM 1927 CA PHE B 20 -3.513 -6.374 -10.040 1.00 0.77 C ATOM 1928 C PHE B 20 -3.675 -7.354 -11.214 1.00 0.89 C ATOM 1929 O PHE B 20 -4.626 -7.254 -11.984 1.00 1.10 O ATOM 1930 CB PHE B 20 -2.447 -5.330 -10.403 1.00 0.76 C ATOM 1931 CG PHE B 20 -2.574 -3.959 -9.759 1.00 0.65 C ATOM 1932 CD1 PHE B 20 -2.779 -3.812 -8.377 1.00 1.70 C ATOM 1933 CD2 PHE B 20 -2.409 -2.809 -10.555 1.00 1.98 C ATOM 1934 CE1 PHE B 20 -2.742 -2.535 -7.793 1.00 1.65 C ATOM 1935 CE2 PHE B 20 -2.404 -1.530 -9.978 1.00 2.07 C ATOM 1936 CZ PHE B 20 -2.545 -1.395 -8.589 1.00 0.76 C ATOM 0 H PHE B 20 -2.328 -6.723 -8.339 1.00 0.74 H new ATOM 0 HA PHE B 20 -4.463 -5.870 -9.860 1.00 0.77 H new ATOM 0 HB2 PHE B 20 -1.471 -5.738 -10.141 1.00 0.76 H new ATOM 0 HB3 PHE B 20 -2.457 -5.198 -11.485 1.00 0.76 H new ATOM 0 HD1 PHE B 20 -2.965 -4.681 -7.763 1.00 1.70 H new ATOM 0 HD2 PHE B 20 -2.285 -2.913 -11.623 1.00 1.98 H new ATOM 0 HE1 PHE B 20 -2.866 -2.429 -6.725 1.00 1.65 H new ATOM 0 HE2 PHE B 20 -2.292 -0.654 -10.600 1.00 2.07 H new ATOM 0 HZ PHE B 20 -2.502 -0.417 -8.133 1.00 0.76 H new ATOM 1946 N PHE B 21 -2.725 -8.283 -11.370 1.00 0.85 N ATOM 1947 CA PHE B 21 -2.796 -9.336 -12.378 1.00 1.02 C ATOM 1948 C PHE B 21 -3.938 -10.271 -11.982 1.00 1.10 C ATOM 1949 O PHE B 21 -4.915 -10.433 -12.715 1.00 1.33 O ATOM 1950 CB PHE B 21 -1.428 -10.044 -12.443 1.00 1.18 C ATOM 1951 CG PHE B 21 -1.173 -11.140 -13.467 1.00 1.67 C ATOM 1952 CD1 PHE B 21 -2.203 -11.729 -14.228 1.00 2.60 C ATOM 1953 CD2 PHE B 21 0.114 -11.711 -13.499 1.00 2.62 C ATOM 1954 CE1 PHE B 21 -1.975 -12.944 -14.899 1.00 3.47 C ATOM 1955 CE2 PHE B 21 0.359 -12.886 -14.231 1.00 3.40 C ATOM 1956 CZ PHE B 21 -0.694 -13.518 -14.911 1.00 3.58 C ATOM 0 H PHE B 21 -1.883 -8.322 -10.796 1.00 0.85 H new ATOM 0 HA PHE B 21 -3.004 -8.951 -13.377 1.00 1.02 H new ATOM 0 HB2 PHE B 21 -0.674 -9.273 -12.603 1.00 1.18 H new ATOM 0 HB3 PHE B 21 -1.241 -10.474 -11.459 1.00 1.18 H new ATOM 0 HD1 PHE B 21 -3.167 -11.247 -14.296 1.00 2.60 H new ATOM 0 HD2 PHE B 21 0.921 -11.242 -12.956 1.00 2.62 H new ATOM 0 HE1 PHE B 21 -2.790 -13.438 -15.408 1.00 3.47 H new ATOM 0 HE2 PHE B 21 1.355 -13.301 -14.270 1.00 3.40 H new ATOM 0 HZ PHE B 21 -0.519 -14.442 -15.441 1.00 3.58 H new ATOM 1966 N THR B 22 -3.840 -10.865 -10.794 1.00 1.28 N ATOM 1967 CA THR B 22 -4.799 -11.844 -10.314 1.00 1.66 C ATOM 1968 C THR B 22 -5.997 -11.116 -9.694 1.00 1.77 C ATOM 1969 O THR B 22 -6.312 -11.315 -8.525 1.00 2.20 O ATOM 1970 CB THR B 22 -4.075 -12.766 -9.318 1.00 2.20 C ATOM 1971 OG1 THR B 22 -2.771 -13.049 -9.799 1.00 3.17 O ATOM 1972 CG2 THR B 22 -4.819 -14.090 -9.118 1.00 2.60 C ATOM 0 H THR B 22 -3.084 -10.675 -10.136 1.00 1.28 H new ATOM 0 HA THR B 22 -5.191 -12.460 -11.123 1.00 1.66 H new ATOM 0 HB THR B 22 -4.034 -12.247 -8.361 1.00 2.20 H new ATOM 0 HG1 THR B 22 -2.308 -13.635 -9.164 1.00 3.17 H new ATOM 0 HG21 THR B 22 -4.273 -14.710 -8.407 1.00 2.60 H new ATOM 0 HG22 THR B 22 -5.819 -13.891 -8.733 1.00 2.60 H new ATOM 0 HG23 THR B 22 -4.895 -14.612 -10.072 1.00 2.60 H new ATOM 2097 N LYS B 30 -1.412 -5.941 -16.404 1.00 3.00 N ATOM 2098 CA LYS B 30 -1.537 -4.605 -16.969 1.00 2.59 C ATOM 2099 C LYS B 30 -1.400 -3.590 -15.824 1.00 2.15 C ATOM 2100 O LYS B 30 -0.315 -3.437 -15.262 1.00 2.75 O ATOM 2101 CB LYS B 30 -2.839 -4.451 -17.772 1.00 3.17 C ATOM 2102 CG LYS B 30 -2.945 -5.404 -18.967 1.00 4.39 C ATOM 2103 CD LYS B 30 -3.592 -6.738 -18.557 1.00 6.35 C ATOM 2104 CE LYS B 30 -4.513 -7.260 -19.662 1.00 7.27 C ATOM 2105 NZ LYS B 30 -3.758 -7.832 -20.796 1.00 8.69 N ATOM 0 HA LYS B 30 -0.742 -4.420 -17.692 1.00 2.59 H new ATOM 0 HB2 LYS B 30 -3.687 -4.620 -17.108 1.00 3.17 H new ATOM 0 HB3 LYS B 30 -2.915 -3.424 -18.130 1.00 3.17 H new ATOM 0 HG2 LYS B 30 -3.535 -4.938 -19.756 1.00 4.39 H new ATOM 0 HG3 LYS B 30 -1.952 -5.589 -19.378 1.00 4.39 H new ATOM 0 HD2 LYS B 30 -2.816 -7.474 -18.347 1.00 6.35 H new ATOM 0 HD3 LYS B 30 -4.161 -6.603 -17.637 1.00 6.35 H new ATOM 0 HE2 LYS B 30 -5.177 -8.020 -19.250 1.00 7.27 H new ATOM 0 HE3 LYS B 30 -5.143 -6.447 -20.021 1.00 7.27 H new ATOM 0 HZ1 LYS B 30 -4.423 -8.172 -21.519 1.00 8.69 H new ATOM 0 HZ2 LYS B 30 -3.143 -7.101 -21.208 1.00 8.69 H new ATOM 0 HZ3 LYS B 30 -3.176 -8.626 -20.460 1.00 8.69 H new ATOM 2119 N ASP B 31 -2.503 -2.940 -15.449 1.00 1.83 N ATOM 2120 CA ASP B 31 -2.550 -1.896 -14.437 1.00 1.82 C ATOM 2121 C ASP B 31 -3.927 -1.889 -13.756 1.00 2.01 C ATOM 2122 O ASP B 31 -4.263 -2.902 -13.143 1.00 2.57 O ATOM 2123 CB ASP B 31 -2.090 -0.553 -15.013 1.00 1.87 C ATOM 2124 CG ASP B 31 -2.860 -0.140 -16.253 1.00 3.77 C ATOM 2125 OD1 ASP B 31 -3.924 0.480 -16.054 1.00 5.29 O ATOM 2126 OD2 ASP B 31 -2.363 -0.438 -17.359 1.00 4.33 O ATOM 0 H ASP B 31 -3.416 -3.136 -15.858 1.00 1.83 H new ATOM 0 HA ASP B 31 -1.835 -2.103 -13.641 1.00 1.82 H new ATOM 0 HB2 ASP B 31 -2.200 0.219 -14.251 1.00 1.87 H new ATOM 0 HB3 ASP B 31 -1.029 -0.613 -15.255 1.00 1.87 H new ATOM 2131 N SER B 32 -4.700 -0.796 -13.804 1.00 1.72 N ATOM 2132 CA SER B 32 -5.927 -0.643 -13.020 1.00 1.79 C ATOM 2133 C SER B 32 -7.117 -0.221 -13.892 1.00 1.75 C ATOM 2134 O SER B 32 -7.175 -0.540 -15.078 1.00 1.85 O ATOM 2135 CB SER B 32 -5.684 0.325 -11.849 1.00 1.74 C ATOM 2136 OG SER B 32 -6.684 0.166 -10.856 1.00 2.63 O ATOM 0 H SER B 32 -4.488 0.010 -14.392 1.00 1.72 H new ATOM 0 HA SER B 32 -6.195 -1.614 -12.604 1.00 1.79 H new ATOM 0 HB2 SER B 32 -4.701 0.141 -11.416 1.00 1.74 H new ATOM 0 HB3 SER B 32 -5.685 1.352 -12.213 1.00 1.74 H new ATOM 0 HG SER B 32 -6.361 0.529 -10.005 1.00 2.63 H new ATOM 2142 N LEU B 33 -8.095 0.444 -13.268 1.00 1.68 N ATOM 2143 CA LEU B 33 -9.373 0.829 -13.848 1.00 1.72 C ATOM 2144 C LEU B 33 -9.386 2.344 -14.088 1.00 1.54 C ATOM 2145 O LEU B 33 -8.324 2.966 -14.100 1.00 1.39 O ATOM 2146 CB LEU B 33 -10.508 0.409 -12.896 1.00 1.82 C ATOM 2147 CG LEU B 33 -10.615 -1.069 -12.491 1.00 2.09 C ATOM 2148 CD1 LEU B 33 -10.446 -2.032 -13.669 1.00 2.48 C ATOM 2149 CD2 LEU B 33 -9.664 -1.410 -11.346 1.00 1.97 C ATOM 0 H LEU B 33 -8.006 0.740 -12.296 1.00 1.68 H new ATOM 0 HA LEU B 33 -9.520 0.328 -14.805 1.00 1.72 H new ATOM 0 HB2 LEU B 33 -10.410 0.997 -11.983 1.00 1.82 H new ATOM 0 HB3 LEU B 33 -11.452 0.695 -13.359 1.00 1.82 H new ATOM 0 HG LEU B 33 -11.634 -1.208 -12.131 1.00 2.09 H new ATOM 0 HD11 LEU B 33 -10.532 -3.059 -13.315 1.00 2.48 H new ATOM 0 HD12 LEU B 33 -11.220 -1.838 -14.411 1.00 2.48 H new ATOM 0 HD13 LEU B 33 -9.465 -1.885 -14.121 1.00 2.48 H new ATOM 0 HD21 LEU B 33 -9.769 -2.464 -11.088 1.00 1.97 H new ATOM 0 HD22 LEU B 33 -8.637 -1.212 -11.654 1.00 1.97 H new ATOM 0 HD23 LEU B 33 -9.906 -0.798 -10.477 1.00 1.97 H new ATOM 2161 N SER B 34 -10.564 2.963 -14.252 1.00 1.63 N ATOM 2162 CA SER B 34 -10.627 4.424 -14.305 1.00 1.46 C ATOM 2163 C SER B 34 -10.259 5.002 -12.939 1.00 1.26 C ATOM 2164 O SER B 34 -10.266 4.288 -11.936 1.00 1.32 O ATOM 2165 CB SER B 34 -11.980 4.952 -14.827 1.00 1.92 C ATOM 2166 OG SER B 34 -12.769 5.583 -13.822 1.00 3.87 O ATOM 0 H SER B 34 -11.461 2.488 -14.348 1.00 1.63 H new ATOM 0 HA SER B 34 -9.895 4.767 -15.036 1.00 1.46 H new ATOM 0 HB2 SER B 34 -11.797 5.662 -15.634 1.00 1.92 H new ATOM 0 HB3 SER B 34 -12.544 4.123 -15.254 1.00 1.92 H new ATOM 0 HG SER B 34 -13.610 5.896 -14.215 1.00 3.87 H new ATOM 2172 N VAL B 35 -9.953 6.300 -12.874 1.00 1.25 N ATOM 2173 CA VAL B 35 -9.588 6.916 -11.609 1.00 1.35 C ATOM 2174 C VAL B 35 -10.788 6.867 -10.652 1.00 1.50 C ATOM 2175 O VAL B 35 -10.685 6.360 -9.532 1.00 1.55 O ATOM 2176 CB VAL B 35 -9.080 8.351 -11.829 1.00 1.42 C ATOM 2177 CG1 VAL B 35 -8.423 8.879 -10.557 1.00 1.65 C ATOM 2178 CG2 VAL B 35 -8.017 8.465 -12.928 1.00 1.37 C ATOM 0 H VAL B 35 -9.952 6.932 -13.674 1.00 1.25 H new ATOM 0 HA VAL B 35 -8.769 6.359 -11.154 1.00 1.35 H new ATOM 0 HB VAL B 35 -9.963 8.921 -12.118 1.00 1.42 H new ATOM 0 HG11 VAL B 35 -8.068 9.896 -10.726 1.00 1.65 H new ATOM 0 HG12 VAL B 35 -9.150 8.879 -9.745 1.00 1.65 H new ATOM 0 HG13 VAL B 35 -7.581 8.240 -10.290 1.00 1.65 H new ATOM 0 HG21 VAL B 35 -7.706 9.505 -13.027 1.00 1.37 H new ATOM 0 HG22 VAL B 35 -7.155 7.852 -12.665 1.00 1.37 H new ATOM 0 HG23 VAL B 35 -8.433 8.119 -13.874 1.00 1.37 H new ATOM 2188 N ASN B 36 -11.939 7.395 -11.092 1.00 1.64 N ATOM 2189 CA ASN B 36 -13.130 7.426 -10.248 1.00 1.93 C ATOM 2190 C ASN B 36 -13.598 6.002 -9.968 1.00 1.90 C ATOM 2191 O ASN B 36 -13.885 5.656 -8.826 1.00 1.95 O ATOM 2192 CB ASN B 36 -14.279 8.243 -10.864 1.00 2.26 C ATOM 2193 CG ASN B 36 -14.928 9.143 -9.815 1.00 3.41 C ATOM 2194 OD1 ASN B 36 -15.747 8.701 -9.011 1.00 4.11 O ATOM 2195 ND2 ASN B 36 -14.546 10.417 -9.787 1.00 4.02 N ATOM 0 H ASN B 36 -12.065 7.801 -12.019 1.00 1.64 H new ATOM 0 HA ASN B 36 -12.852 7.922 -9.318 1.00 1.93 H new ATOM 0 HB2 ASN B 36 -13.900 8.850 -11.686 1.00 2.26 H new ATOM 0 HB3 ASN B 36 -15.026 7.569 -11.284 1.00 2.26 H new ATOM 0 HD21 ASN B 36 -14.934 11.051 -9.088 1.00 4.02 H new ATOM 0 HD22 ASN B 36 -13.865 10.760 -10.464 1.00 4.02 H new ATOM 2202 N GLU B 37 -13.656 5.184 -11.025 1.00 1.87 N ATOM 2203 CA GLU B 37 -14.025 3.780 -10.943 1.00 1.90 C ATOM 2204 C GLU B 37 -13.212 3.115 -9.835 1.00 1.69 C ATOM 2205 O GLU B 37 -13.770 2.561 -8.891 1.00 1.79 O ATOM 2206 CB GLU B 37 -13.772 3.161 -12.320 1.00 1.95 C ATOM 2207 CG GLU B 37 -14.138 1.683 -12.467 1.00 1.88 C ATOM 2208 CD GLU B 37 -13.933 1.226 -13.908 1.00 2.22 C ATOM 2209 OE1 GLU B 37 -13.061 1.834 -14.574 1.00 2.83 O ATOM 2210 OE2 GLU B 37 -14.627 0.269 -14.306 1.00 2.92 O ATOM 0 H GLU B 37 -13.443 5.491 -11.974 1.00 1.87 H new ATOM 0 HA GLU B 37 -15.076 3.641 -10.689 1.00 1.90 H new ATOM 0 HB2 GLU B 37 -14.334 3.730 -13.061 1.00 1.95 H new ATOM 0 HB3 GLU B 37 -12.716 3.279 -12.561 1.00 1.95 H new ATOM 0 HG2 GLU B 37 -13.524 1.081 -11.797 1.00 1.88 H new ATOM 0 HG3 GLU B 37 -15.176 1.528 -12.174 1.00 1.88 H new ATOM 2217 N PHE B 38 -11.886 3.230 -9.912 1.00 1.44 N ATOM 2218 CA PHE B 38 -10.975 2.680 -8.925 1.00 1.21 C ATOM 2219 C PHE B 38 -11.339 3.099 -7.493 1.00 1.35 C ATOM 2220 O PHE B 38 -11.509 2.225 -6.643 1.00 1.30 O ATOM 2221 CB PHE B 38 -9.539 3.048 -9.293 1.00 1.01 C ATOM 2222 CG PHE B 38 -8.551 2.606 -8.244 1.00 1.03 C ATOM 2223 CD1 PHE B 38 -8.301 1.235 -8.060 1.00 1.99 C ATOM 2224 CD2 PHE B 38 -8.087 3.538 -7.303 1.00 1.84 C ATOM 2225 CE1 PHE B 38 -7.575 0.803 -6.941 1.00 2.45 C ATOM 2226 CE2 PHE B 38 -7.360 3.105 -6.183 1.00 1.93 C ATOM 2227 CZ PHE B 38 -7.059 1.743 -6.032 1.00 1.88 C ATOM 0 H PHE B 38 -11.414 3.716 -10.675 1.00 1.44 H new ATOM 0 HA PHE B 38 -11.067 1.594 -8.939 1.00 1.21 H new ATOM 0 HB2 PHE B 38 -9.282 2.590 -10.248 1.00 1.01 H new ATOM 0 HB3 PHE B 38 -9.465 4.127 -9.427 1.00 1.01 H new ATOM 0 HD1 PHE B 38 -8.667 0.517 -8.778 1.00 1.99 H new ATOM 0 HD2 PHE B 38 -8.290 4.590 -7.441 1.00 1.84 H new ATOM 0 HE1 PHE B 38 -7.412 -0.252 -6.777 1.00 2.45 H new ATOM 0 HE2 PHE B 38 -7.034 3.818 -5.440 1.00 1.93 H new ATOM 0 HZ PHE B 38 -6.430 1.416 -5.217 1.00 1.88 H new ATOM 2237 N LYS B 39 -11.490 4.409 -7.229 1.00 1.59 N ATOM 2238 CA LYS B 39 -11.985 4.945 -5.948 1.00 1.80 C ATOM 2239 C LYS B 39 -13.222 4.147 -5.462 1.00 1.91 C ATOM 2240 O LYS B 39 -13.361 3.921 -4.260 1.00 2.06 O ATOM 2241 CB LYS B 39 -12.229 6.466 -6.073 1.00 2.05 C ATOM 2242 CG LYS B 39 -13.435 7.046 -5.297 1.00 1.83 C ATOM 2243 CD LYS B 39 -14.632 7.131 -6.251 1.00 2.11 C ATOM 2244 CE LYS B 39 -15.886 7.806 -5.683 1.00 2.83 C ATOM 2245 NZ LYS B 39 -16.952 7.899 -6.708 1.00 3.68 N ATOM 0 H LYS B 39 -11.268 5.136 -7.909 1.00 1.59 H new ATOM 0 HA LYS B 39 -11.230 4.816 -5.173 1.00 1.80 H new ATOM 0 HB2 LYS B 39 -11.330 6.983 -5.738 1.00 2.05 H new ATOM 0 HB3 LYS B 39 -12.359 6.703 -7.129 1.00 2.05 H new ATOM 0 HG2 LYS B 39 -13.676 6.413 -4.443 1.00 1.83 H new ATOM 0 HG3 LYS B 39 -13.193 8.033 -4.904 1.00 1.83 H new ATOM 0 HD2 LYS B 39 -14.323 7.673 -7.145 1.00 2.11 H new ATOM 0 HD3 LYS B 39 -14.896 6.121 -6.565 1.00 2.11 H new ATOM 0 HE2 LYS B 39 -16.250 7.241 -4.825 1.00 2.83 H new ATOM 0 HE3 LYS B 39 -15.635 8.804 -5.324 1.00 2.83 H new ATOM 0 HZ1 LYS B 39 -17.474 8.790 -6.586 1.00 3.68 H new ATOM 0 HZ2 LYS B 39 -16.525 7.875 -7.656 1.00 3.68 H new ATOM 0 HZ3 LYS B 39 -17.606 7.097 -6.603 1.00 3.68 H new ATOM 2259 N GLU B 40 -14.128 3.718 -6.355 1.00 1.88 N ATOM 2260 CA GLU B 40 -15.292 2.919 -5.963 1.00 2.02 C ATOM 2261 C GLU B 40 -14.917 1.452 -5.758 1.00 1.87 C ATOM 2262 O GLU B 40 -15.296 0.848 -4.756 1.00 1.99 O ATOM 2263 CB GLU B 40 -16.457 3.065 -6.955 1.00 2.15 C ATOM 2264 CG GLU B 40 -16.818 4.544 -7.114 1.00 2.27 C ATOM 2265 CD GLU B 40 -18.224 4.822 -7.611 1.00 2.61 C ATOM 2266 OE1 GLU B 40 -18.901 3.880 -8.068 1.00 2.45 O ATOM 2267 OE2 GLU B 40 -18.569 6.022 -7.504 1.00 3.72 O ATOM 0 H GLU B 40 -14.073 3.913 -7.355 1.00 1.88 H new ATOM 0 HA GLU B 40 -15.638 3.312 -5.007 1.00 2.02 H new ATOM 0 HB2 GLU B 40 -16.180 2.643 -7.921 1.00 2.15 H new ATOM 0 HB3 GLU B 40 -17.322 2.506 -6.599 1.00 2.15 H new ATOM 0 HG2 GLU B 40 -16.687 5.038 -6.151 1.00 2.27 H new ATOM 0 HG3 GLU B 40 -16.110 5.001 -7.805 1.00 2.27 H new ATOM 2274 N LEU B 41 -14.176 0.859 -6.695 1.00 1.61 N ATOM 2275 CA LEU B 41 -13.756 -0.531 -6.582 1.00 1.45 C ATOM 2276 C LEU B 41 -13.067 -0.778 -5.239 1.00 1.30 C ATOM 2277 O LEU B 41 -13.376 -1.763 -4.579 1.00 1.27 O ATOM 2278 CB LEU B 41 -12.875 -0.954 -7.769 1.00 1.32 C ATOM 2279 CG LEU B 41 -13.647 -1.575 -8.950 1.00 1.73 C ATOM 2280 CD1 LEU B 41 -14.213 -2.960 -8.609 1.00 1.95 C ATOM 2281 CD2 LEU B 41 -14.771 -0.675 -9.473 1.00 3.45 C ATOM 0 H LEU B 41 -13.855 1.326 -7.543 1.00 1.61 H new ATOM 0 HA LEU B 41 -14.647 -1.158 -6.616 1.00 1.45 H new ATOM 0 HB2 LEU B 41 -12.328 -0.082 -8.128 1.00 1.32 H new ATOM 0 HB3 LEU B 41 -12.135 -1.673 -7.417 1.00 1.32 H new ATOM 0 HG LEU B 41 -12.908 -1.683 -9.744 1.00 1.73 H new ATOM 0 HD11 LEU B 41 -14.748 -3.357 -9.472 1.00 1.95 H new ATOM 0 HD12 LEU B 41 -13.396 -3.633 -8.348 1.00 1.95 H new ATOM 0 HD13 LEU B 41 -14.897 -2.876 -7.765 1.00 1.95 H new ATOM 0 HD21 LEU B 41 -15.276 -1.169 -10.303 1.00 3.45 H new ATOM 0 HD22 LEU B 41 -15.487 -0.486 -8.674 1.00 3.45 H new ATOM 0 HD23 LEU B 41 -14.351 0.271 -9.815 1.00 3.45 H new ATOM 2293 N VAL B 42 -12.180 0.116 -4.789 1.00 1.27 N ATOM 2294 CA VAL B 42 -11.562 -0.069 -3.479 1.00 1.19 C ATOM 2295 C VAL B 42 -12.596 -0.135 -2.355 1.00 1.22 C ATOM 2296 O VAL B 42 -12.554 -1.075 -1.566 1.00 1.17 O ATOM 2297 CB VAL B 42 -10.448 0.944 -3.182 1.00 1.19 C ATOM 2298 CG1 VAL B 42 -9.275 0.684 -4.118 1.00 1.70 C ATOM 2299 CG2 VAL B 42 -10.875 2.408 -3.312 1.00 2.04 C ATOM 0 H VAL B 42 -11.883 0.949 -5.297 1.00 1.27 H new ATOM 0 HA VAL B 42 -11.073 -1.042 -3.520 1.00 1.19 H new ATOM 0 HB VAL B 42 -10.173 0.797 -2.137 1.00 1.19 H new ATOM 0 HG11 VAL B 42 -8.480 1.400 -3.912 1.00 1.70 H new ATOM 0 HG12 VAL B 42 -8.901 -0.328 -3.961 1.00 1.70 H new ATOM 0 HG13 VAL B 42 -9.603 0.793 -5.152 1.00 1.70 H new ATOM 0 HG21 VAL B 42 -10.028 3.056 -3.085 1.00 2.04 H new ATOM 0 HG22 VAL B 42 -11.215 2.599 -4.330 1.00 2.04 H new ATOM 0 HG23 VAL B 42 -11.686 2.614 -2.614 1.00 2.04 H new ATOM 2309 N THR B 43 -13.530 0.821 -2.264 1.00 1.41 N ATOM 2310 CA THR B 43 -14.519 0.758 -1.192 1.00 1.51 C ATOM 2311 C THR B 43 -15.311 -0.549 -1.328 1.00 1.45 C ATOM 2312 O THR B 43 -15.460 -1.283 -0.357 1.00 1.47 O ATOM 2313 CB THR B 43 -15.364 2.048 -1.083 1.00 1.86 C ATOM 2314 OG1 THR B 43 -15.880 2.197 0.224 1.00 2.07 O ATOM 2315 CG2 THR B 43 -16.565 2.125 -2.033 1.00 2.01 C ATOM 0 H THR B 43 -13.618 1.617 -2.896 1.00 1.41 H new ATOM 0 HA THR B 43 -14.022 0.725 -0.222 1.00 1.51 H new ATOM 0 HB THR B 43 -14.664 2.838 -1.356 1.00 1.86 H new ATOM 0 HG1 THR B 43 -15.142 2.340 0.853 1.00 2.07 H new ATOM 0 HG21 THR B 43 -17.092 3.067 -1.878 1.00 2.01 H new ATOM 0 HG22 THR B 43 -16.217 2.069 -3.064 1.00 2.01 H new ATOM 0 HG23 THR B 43 -17.241 1.294 -1.833 1.00 2.01 H new ATOM 2323 N GLN B 44 -15.731 -0.906 -2.548 1.00 1.56 N ATOM 2324 CA GLN B 44 -16.446 -2.151 -2.812 1.00 1.62 C ATOM 2325 C GLN B 44 -15.673 -3.365 -2.277 1.00 1.41 C ATOM 2326 O GLN B 44 -16.246 -4.202 -1.584 1.00 1.43 O ATOM 2327 CB GLN B 44 -16.746 -2.265 -4.315 1.00 1.90 C ATOM 2328 CG GLN B 44 -17.852 -3.285 -4.623 1.00 1.59 C ATOM 2329 CD GLN B 44 -17.425 -4.744 -4.445 1.00 2.91 C ATOM 2330 OE1 GLN B 44 -16.258 -5.091 -4.604 1.00 4.00 O ATOM 2331 NE2 GLN B 44 -18.367 -5.623 -4.119 1.00 3.93 N ATOM 0 H GLN B 44 -15.582 -0.334 -3.379 1.00 1.56 H new ATOM 0 HA GLN B 44 -17.396 -2.137 -2.278 1.00 1.62 H new ATOM 0 HB2 GLN B 44 -17.042 -1.288 -4.697 1.00 1.90 H new ATOM 0 HB3 GLN B 44 -15.836 -2.552 -4.842 1.00 1.90 H new ATOM 0 HG2 GLN B 44 -18.705 -3.086 -3.975 1.00 1.59 H new ATOM 0 HG3 GLN B 44 -18.190 -3.139 -5.649 1.00 1.59 H new ATOM 0 HE21 GLN B 44 -19.331 -5.314 -3.991 1.00 3.93 H new ATOM 0 HE22 GLN B 44 -18.126 -6.607 -3.996 1.00 3.93 H new ATOM 2340 N GLN B 45 -14.375 -3.447 -2.586 1.00 1.29 N ATOM 2341 CA GLN B 45 -13.472 -4.481 -2.095 1.00 1.19 C ATOM 2342 C GLN B 45 -13.416 -4.535 -0.564 1.00 0.97 C ATOM 2343 O GLN B 45 -12.946 -5.532 -0.027 1.00 0.98 O ATOM 2344 CB GLN B 45 -12.055 -4.274 -2.652 1.00 1.26 C ATOM 2345 CG GLN B 45 -11.735 -5.086 -3.910 1.00 1.15 C ATOM 2346 CD GLN B 45 -12.358 -4.550 -5.198 1.00 1.60 C ATOM 2347 OE1 GLN B 45 -11.649 -4.019 -6.048 1.00 2.49 O ATOM 2348 NE2 GLN B 45 -13.665 -4.693 -5.394 1.00 1.87 N ATOM 0 H GLN B 45 -13.916 -2.776 -3.201 1.00 1.29 H new ATOM 0 HA GLN B 45 -13.871 -5.432 -2.447 1.00 1.19 H new ATOM 0 HB2 GLN B 45 -11.918 -3.216 -2.875 1.00 1.26 H new ATOM 0 HB3 GLN B 45 -11.334 -4.532 -1.877 1.00 1.26 H new ATOM 0 HG2 GLN B 45 -10.653 -5.123 -4.035 1.00 1.15 H new ATOM 0 HG3 GLN B 45 -12.074 -6.111 -3.759 1.00 1.15 H new ATOM 0 HE21 GLN B 45 -14.242 -5.136 -4.679 1.00 1.87 H new ATOM 0 HE22 GLN B 45 -14.090 -4.360 -6.259 1.00 1.87 H new ATOM 2357 N LEU B 46 -13.834 -3.474 0.131 1.00 0.88 N ATOM 2358 CA LEU B 46 -13.958 -3.432 1.578 1.00 0.86 C ATOM 2359 C LEU B 46 -15.450 -3.478 1.970 1.00 0.95 C ATOM 2360 O LEU B 46 -15.980 -2.491 2.484 1.00 1.05 O ATOM 2361 CB LEU B 46 -13.251 -2.170 2.110 1.00 0.98 C ATOM 2362 CG LEU B 46 -11.717 -2.298 2.197 1.00 1.22 C ATOM 2363 CD1 LEU B 46 -10.957 -2.228 0.865 1.00 1.10 C ATOM 2364 CD2 LEU B 46 -11.177 -1.174 3.073 1.00 1.92 C ATOM 0 H LEU B 46 -14.102 -2.598 -0.317 1.00 0.88 H new ATOM 0 HA LEU B 46 -13.476 -4.299 2.030 1.00 0.86 H new ATOM 0 HB2 LEU B 46 -13.499 -1.328 1.464 1.00 0.98 H new ATOM 0 HB3 LEU B 46 -13.642 -1.937 3.100 1.00 0.98 H new ATOM 0 HG LEU B 46 -11.549 -3.297 2.600 1.00 1.22 H new ATOM 0 HD11 LEU B 46 -9.888 -2.329 1.050 1.00 1.10 H new ATOM 0 HD12 LEU B 46 -11.290 -3.035 0.213 1.00 1.10 H new ATOM 0 HD13 LEU B 46 -11.153 -1.269 0.384 1.00 1.10 H new ATOM 0 HD21 LEU B 46 -10.092 -1.255 3.141 1.00 1.92 H new ATOM 0 HD22 LEU B 46 -11.442 -0.212 2.635 1.00 1.92 H new ATOM 0 HD23 LEU B 46 -11.610 -1.250 4.070 1.00 1.92 H new ATOM 2376 N PRO B 47 -16.146 -4.626 1.819 1.00 1.05 N ATOM 2377 CA PRO B 47 -17.525 -4.794 2.277 1.00 1.15 C ATOM 2378 C PRO B 47 -17.650 -4.643 3.801 1.00 1.23 C ATOM 2379 O PRO B 47 -18.750 -4.428 4.307 1.00 1.41 O ATOM 2380 CB PRO B 47 -17.939 -6.197 1.826 1.00 1.21 C ATOM 2381 CG PRO B 47 -16.617 -6.962 1.845 1.00 1.19 C ATOM 2382 CD PRO B 47 -15.625 -5.906 1.361 1.00 1.07 C ATOM 0 HA PRO B 47 -18.172 -4.024 1.857 1.00 1.15 H new ATOM 0 HB2 PRO B 47 -18.672 -6.639 2.501 1.00 1.21 H new ATOM 0 HB3 PRO B 47 -18.386 -6.187 0.832 1.00 1.21 H new ATOM 0 HG2 PRO B 47 -16.371 -7.324 2.843 1.00 1.19 H new ATOM 0 HG3 PRO B 47 -16.640 -7.831 1.187 1.00 1.19 H new ATOM 0 HD2 PRO B 47 -14.630 -6.090 1.767 1.00 1.07 H new ATOM 0 HD3 PRO B 47 -15.535 -5.924 0.275 1.00 1.07 H new ATOM 2390 N HIS B 48 -16.505 -4.685 4.493 1.00 1.36 N ATOM 2391 CA HIS B 48 -16.275 -4.571 5.924 1.00 1.42 C ATOM 2392 C HIS B 48 -17.260 -3.604 6.592 1.00 1.57 C ATOM 2393 O HIS B 48 -17.853 -3.951 7.610 1.00 2.36 O ATOM 2394 CB HIS B 48 -14.789 -4.167 6.033 1.00 1.58 C ATOM 2395 CG HIS B 48 -14.249 -3.326 7.165 1.00 1.46 C ATOM 2396 ND1 HIS B 48 -13.012 -2.733 7.099 1.00 2.56 N ATOM 2397 CD2 HIS B 48 -14.867 -2.849 8.293 1.00 2.41 C ATOM 2398 CE1 HIS B 48 -12.911 -1.890 8.133 1.00 3.02 C ATOM 2399 NE2 HIS B 48 -14.026 -1.891 8.872 1.00 2.93 N ATOM 0 H HIS B 48 -15.622 -4.815 4.000 1.00 1.36 H new ATOM 0 HA HIS B 48 -16.459 -5.497 6.468 1.00 1.42 H new ATOM 0 HB2 HIS B 48 -14.215 -5.094 6.034 1.00 1.58 H new ATOM 0 HB3 HIS B 48 -14.542 -3.641 5.111 1.00 1.58 H new ATOM 0 HD1 HIS B 48 -12.299 -2.904 6.390 1.00 2.56 H new ATOM 0 HD2 HIS B 48 -15.832 -3.158 8.668 1.00 2.41 H new ATOM 0 HE1 HIS B 48 -12.041 -1.286 8.344 1.00 3.02 H new ATOM 2407 N LEU B 49 -17.450 -2.395 6.055 1.00 1.53 N ATOM 2408 CA LEU B 49 -18.455 -1.482 6.597 1.00 1.64 C ATOM 2409 C LEU B 49 -18.823 -0.422 5.570 1.00 1.66 C ATOM 2410 O LEU B 49 -20.011 -0.234 5.303 1.00 1.89 O ATOM 2411 CB LEU B 49 -17.967 -0.857 7.917 1.00 1.67 C ATOM 2412 CG LEU B 49 -19.008 -0.134 8.799 1.00 1.75 C ATOM 2413 CD1 LEU B 49 -19.566 1.168 8.216 1.00 2.45 C ATOM 2414 CD2 LEU B 49 -20.164 -1.055 9.206 1.00 3.45 C ATOM 0 H LEU B 49 -16.929 -2.032 5.257 1.00 1.53 H new ATOM 0 HA LEU B 49 -19.359 -2.049 6.821 1.00 1.64 H new ATOM 0 HB2 LEU B 49 -17.513 -1.648 8.514 1.00 1.67 H new ATOM 0 HB3 LEU B 49 -17.177 -0.145 7.679 1.00 1.67 H new ATOM 0 HG LEU B 49 -18.436 0.148 9.683 1.00 1.75 H new ATOM 0 HD11 LEU B 49 -20.288 1.598 8.910 1.00 2.45 H new ATOM 0 HD12 LEU B 49 -18.751 1.874 8.057 1.00 2.45 H new ATOM 0 HD13 LEU B 49 -20.057 0.960 7.265 1.00 2.45 H new ATOM 0 HD21 LEU B 49 -20.870 -0.501 9.825 1.00 3.45 H new ATOM 0 HD22 LEU B 49 -20.672 -1.418 8.312 1.00 3.45 H new ATOM 0 HD23 LEU B 49 -19.773 -1.902 9.770 1.00 3.45 H new ATOM 2426 N LEU B 50 -17.804 0.234 4.997 1.00 1.55 N ATOM 2427 CA LEU B 50 -17.898 1.410 4.141 1.00 1.57 C ATOM 2428 C LEU B 50 -18.237 2.628 5.012 1.00 1.42 C ATOM 2429 O LEU B 50 -19.329 3.182 4.906 1.00 1.72 O ATOM 2430 CB LEU B 50 -18.900 1.186 2.994 1.00 1.97 C ATOM 2431 CG LEU B 50 -18.715 -0.175 2.290 1.00 2.25 C ATOM 2432 CD1 LEU B 50 -20.066 -0.700 1.827 1.00 4.04 C ATOM 2433 CD2 LEU B 50 -17.757 -0.070 1.113 1.00 2.38 C ATOM 0 H LEU B 50 -16.838 -0.065 5.131 1.00 1.55 H new ATOM 0 HA LEU B 50 -16.941 1.599 3.655 1.00 1.57 H new ATOM 0 HB2 LEU B 50 -19.915 1.251 3.387 1.00 1.97 H new ATOM 0 HB3 LEU B 50 -18.790 1.986 2.262 1.00 1.97 H new ATOM 0 HG LEU B 50 -18.280 -0.872 3.006 1.00 2.25 H new ATOM 0 HD11 LEU B 50 -19.932 -1.661 1.330 1.00 4.04 H new ATOM 0 HD12 LEU B 50 -20.722 -0.825 2.688 1.00 4.04 H new ATOM 0 HD13 LEU B 50 -20.513 0.009 1.130 1.00 4.04 H new ATOM 0 HD21 LEU B 50 -17.651 -1.047 0.642 1.00 2.38 H new ATOM 0 HD22 LEU B 50 -18.149 0.642 0.387 1.00 2.38 H new ATOM 0 HD23 LEU B 50 -16.783 0.270 1.466 1.00 2.38 H new ATOM 2445 N LYS B 51 -17.332 3.007 5.928 1.00 1.21 N ATOM 2446 CA LYS B 51 -17.516 4.230 6.730 1.00 1.17 C ATOM 2447 C LYS B 51 -17.033 5.404 5.892 1.00 1.22 C ATOM 2448 O LYS B 51 -17.717 6.410 5.740 1.00 1.30 O ATOM 2449 CB LYS B 51 -16.833 4.207 8.124 1.00 1.18 C ATOM 2450 CG LYS B 51 -15.403 3.644 8.165 1.00 1.59 C ATOM 2451 CD LYS B 51 -15.438 2.123 8.277 1.00 4.33 C ATOM 2452 CE LYS B 51 -15.395 1.632 9.739 1.00 5.29 C ATOM 2453 NZ LYS B 51 -15.443 0.160 9.905 1.00 7.52 N ATOM 0 H LYS B 51 -16.475 2.492 6.131 1.00 1.21 H new ATOM 0 HA LYS B 51 -18.576 4.317 6.967 1.00 1.17 H new ATOM 0 HB2 LYS B 51 -16.813 5.225 8.513 1.00 1.18 H new ATOM 0 HB3 LYS B 51 -17.453 3.619 8.801 1.00 1.18 H new ATOM 0 HG2 LYS B 51 -14.863 3.937 7.265 1.00 1.59 H new ATOM 0 HG3 LYS B 51 -14.863 4.066 9.012 1.00 1.59 H new ATOM 0 HD2 LYS B 51 -16.343 1.748 7.799 1.00 4.33 H new ATOM 0 HD3 LYS B 51 -14.592 1.703 7.732 1.00 4.33 H new ATOM 0 HE2 LYS B 51 -14.484 2.006 10.206 1.00 5.29 H new ATOM 0 HE3 LYS B 51 -16.234 2.071 10.279 1.00 5.29 H new ATOM 0 HZ1 LYS B 51 -15.274 -0.083 10.902 1.00 7.52 H new ATOM 0 HZ2 LYS B 51 -16.379 -0.191 9.617 1.00 7.52 H new ATOM 0 HZ3 LYS B 51 -14.711 -0.280 9.312 1.00 7.52 H new ATOM 2467 N ASP B 52 -15.807 5.220 5.407 1.00 1.29 N ATOM 2468 CA ASP B 52 -15.073 5.944 4.409 1.00 1.47 C ATOM 2469 C ASP B 52 -15.499 7.406 4.317 1.00 1.49 C ATOM 2470 O ASP B 52 -16.144 7.824 3.359 1.00 1.90 O ATOM 2471 CB ASP B 52 -15.036 5.187 3.074 1.00 1.97 C ATOM 2472 CG ASP B 52 -14.736 3.682 3.186 1.00 2.50 C ATOM 2473 OD1 ASP B 52 -14.953 3.104 4.284 1.00 3.19 O ATOM 2474 OD2 ASP B 52 -14.320 3.113 2.153 1.00 3.12 O ATOM 0 H ASP B 52 -15.242 4.450 5.765 1.00 1.29 H new ATOM 0 HA ASP B 52 -14.032 5.997 4.727 1.00 1.47 H new ATOM 0 HB2 ASP B 52 -15.997 5.314 2.575 1.00 1.97 H new ATOM 0 HB3 ASP B 52 -14.282 5.646 2.435 1.00 1.97 H new ATOM 2479 N VAL B 53 -15.144 8.169 5.350 1.00 1.38 N ATOM 2480 CA VAL B 53 -15.536 9.556 5.503 1.00 1.66 C ATOM 2481 C VAL B 53 -14.366 10.339 6.088 1.00 1.57 C ATOM 2482 O VAL B 53 -13.568 9.802 6.868 1.00 1.92 O ATOM 2483 CB VAL B 53 -16.826 9.659 6.332 1.00 2.51 C ATOM 2484 CG1 VAL B 53 -16.684 9.041 7.730 1.00 2.83 C ATOM 2485 CG2 VAL B 53 -17.318 11.107 6.451 1.00 3.33 C ATOM 0 H VAL B 53 -14.564 7.826 6.116 1.00 1.38 H new ATOM 0 HA VAL B 53 -15.771 10.001 4.536 1.00 1.66 H new ATOM 0 HB VAL B 53 -17.571 9.081 5.785 1.00 2.51 H new ATOM 0 HG11 VAL B 53 -17.625 9.143 8.270 1.00 2.83 H new ATOM 0 HG12 VAL B 53 -16.431 7.985 7.637 1.00 2.83 H new ATOM 0 HG13 VAL B 53 -15.894 9.556 8.277 1.00 2.83 H new ATOM 0 HG21 VAL B 53 -18.232 11.133 7.045 1.00 3.33 H new ATOM 0 HG22 VAL B 53 -16.553 11.713 6.936 1.00 3.33 H new ATOM 0 HG23 VAL B 53 -17.520 11.506 5.457 1.00 3.33 H new ATOM 2495 N GLY B 54 -14.267 11.594 5.648 1.00 1.70 N ATOM 2496 CA GLY B 54 -13.098 12.437 5.749 1.00 1.80 C ATOM 2497 C GLY B 54 -12.436 12.435 4.377 1.00 1.73 C ATOM 2498 O GLY B 54 -12.942 13.044 3.437 1.00 2.24 O ATOM 0 H GLY B 54 -15.047 12.065 5.189 1.00 1.70 H new ATOM 0 HA2 GLY B 54 -13.375 13.449 6.043 1.00 1.80 H new ATOM 0 HA3 GLY B 54 -12.414 12.060 6.509 1.00 1.80 H new ATOM 2502 N SER B 55 -11.351 11.674 4.244 1.00 1.32 N ATOM 2503 CA SER B 55 -10.456 11.726 3.098 1.00 1.18 C ATOM 2504 C SER B 55 -11.103 11.192 1.815 1.00 1.03 C ATOM 2505 O SER B 55 -10.555 11.344 0.723 1.00 1.08 O ATOM 2506 CB SER B 55 -9.110 11.102 3.457 1.00 1.21 C ATOM 2507 OG SER B 55 -8.693 11.578 4.725 1.00 1.81 O ATOM 0 H SER B 55 -11.067 10.991 4.947 1.00 1.32 H new ATOM 0 HA SER B 55 -10.252 12.768 2.854 1.00 1.18 H new ATOM 0 HB2 SER B 55 -9.194 10.015 3.474 1.00 1.21 H new ATOM 0 HB3 SER B 55 -8.367 11.353 2.700 1.00 1.21 H new ATOM 0 HG SER B 55 -7.731 11.764 4.704 1.00 1.81 H new ATOM 2513 N LEU B 56 -12.247 10.515 1.943 1.00 1.01 N ATOM 2514 CA LEU B 56 -13.164 10.272 0.838 1.00 1.03 C ATOM 2515 C LEU B 56 -13.244 11.514 -0.043 1.00 1.02 C ATOM 2516 O LEU B 56 -13.068 11.418 -1.256 1.00 1.01 O ATOM 2517 CB LEU B 56 -14.543 9.933 1.417 1.00 1.15 C ATOM 2518 CG LEU B 56 -15.685 9.700 0.409 1.00 1.79 C ATOM 2519 CD1 LEU B 56 -16.213 10.952 -0.305 1.00 2.06 C ATOM 2520 CD2 LEU B 56 -15.344 8.601 -0.603 1.00 2.73 C ATOM 0 H LEU B 56 -12.562 10.118 2.828 1.00 1.01 H new ATOM 0 HA LEU B 56 -12.812 9.441 0.227 1.00 1.03 H new ATOM 0 HB2 LEU B 56 -14.443 9.037 2.029 1.00 1.15 H new ATOM 0 HB3 LEU B 56 -14.839 10.743 2.084 1.00 1.15 H new ATOM 0 HG LEU B 56 -16.511 9.367 1.037 1.00 1.79 H new ATOM 0 HD11 LEU B 56 -17.013 10.670 -0.990 1.00 2.06 H new ATOM 0 HD12 LEU B 56 -16.598 11.656 0.432 1.00 2.06 H new ATOM 0 HD13 LEU B 56 -15.404 11.420 -0.866 1.00 2.06 H new ATOM 0 HD21 LEU B 56 -16.177 8.471 -1.294 1.00 2.73 H new ATOM 0 HD22 LEU B 56 -14.451 8.884 -1.161 1.00 2.73 H new ATOM 0 HD23 LEU B 56 -15.160 7.665 -0.076 1.00 2.73 H new ATOM 2532 N ASP B 57 -13.484 12.677 0.570 1.00 1.13 N ATOM 2533 CA ASP B 57 -13.586 13.929 -0.166 1.00 1.22 C ATOM 2534 C ASP B 57 -12.293 14.187 -0.956 1.00 1.06 C ATOM 2535 O ASP B 57 -12.314 14.312 -2.180 1.00 1.10 O ATOM 2536 CB ASP B 57 -13.923 15.065 0.806 1.00 1.51 C ATOM 2537 CG ASP B 57 -13.956 16.425 0.126 1.00 2.25 C ATOM 2538 OD1 ASP B 57 -14.109 16.476 -1.109 1.00 3.38 O ATOM 2539 OD2 ASP B 57 -13.756 17.423 0.850 1.00 2.80 O ATOM 0 H ASP B 57 -13.611 12.772 1.578 1.00 1.13 H new ATOM 0 HA ASP B 57 -14.393 13.872 -0.896 1.00 1.22 H new ATOM 0 HB2 ASP B 57 -14.891 14.869 1.266 1.00 1.51 H new ATOM 0 HB3 ASP B 57 -13.186 15.082 1.609 1.00 1.51 H new ATOM 2544 N GLU B 58 -11.141 14.198 -0.278 1.00 1.03 N ATOM 2545 CA GLU B 58 -9.828 14.230 -0.919 1.00 1.03 C ATOM 2546 C GLU B 58 -9.721 13.211 -2.060 1.00 0.87 C ATOM 2547 O GLU B 58 -9.155 13.541 -3.100 1.00 1.00 O ATOM 2548 CB GLU B 58 -8.707 14.052 0.117 1.00 1.17 C ATOM 2549 CG GLU B 58 -8.393 15.357 0.867 1.00 1.72 C ATOM 2550 CD GLU B 58 -9.625 16.013 1.466 1.00 3.46 C ATOM 2551 OE1 GLU B 58 -10.422 15.271 2.082 1.00 4.41 O ATOM 2552 OE2 GLU B 58 -9.783 17.233 1.234 1.00 4.52 O ATOM 0 H GLU B 58 -11.096 14.185 0.741 1.00 1.03 H new ATOM 0 HA GLU B 58 -9.706 15.214 -1.371 1.00 1.03 H new ATOM 0 HB2 GLU B 58 -8.997 13.284 0.834 1.00 1.17 H new ATOM 0 HB3 GLU B 58 -7.806 13.697 -0.383 1.00 1.17 H new ATOM 0 HG2 GLU B 58 -7.677 15.148 1.662 1.00 1.72 H new ATOM 0 HG3 GLU B 58 -7.914 16.056 0.182 1.00 1.72 H new ATOM 2559 N LYS B 59 -10.279 12.000 -1.908 1.00 0.75 N ATOM 2560 CA LYS B 59 -10.352 11.067 -3.027 1.00 0.70 C ATOM 2561 C LYS B 59 -11.139 11.726 -4.158 1.00 0.77 C ATOM 2562 O LYS B 59 -10.565 11.972 -5.214 1.00 1.03 O ATOM 2563 CB LYS B 59 -10.957 9.689 -2.642 1.00 0.97 C ATOM 2564 CG LYS B 59 -10.080 8.503 -3.095 1.00 1.06 C ATOM 2565 CD LYS B 59 -9.302 7.872 -1.931 1.00 0.79 C ATOM 2566 CE LYS B 59 -8.270 8.873 -1.461 1.00 3.03 C ATOM 2567 NZ LYS B 59 -8.739 9.698 -0.323 1.00 3.52 N ATOM 0 H LYS B 59 -10.678 11.654 -1.035 1.00 0.75 H new ATOM 0 HA LYS B 59 -9.335 10.848 -3.353 1.00 0.70 H new ATOM 0 HB2 LYS B 59 -11.089 9.645 -1.561 1.00 0.97 H new ATOM 0 HB3 LYS B 59 -11.947 9.594 -3.089 1.00 0.97 H new ATOM 0 HG2 LYS B 59 -10.711 7.745 -3.560 1.00 1.06 H new ATOM 0 HG3 LYS B 59 -9.378 8.844 -3.856 1.00 1.06 H new ATOM 0 HD2 LYS B 59 -9.979 7.612 -1.117 1.00 0.79 H new ATOM 0 HD3 LYS B 59 -8.819 6.949 -2.252 1.00 0.79 H new ATOM 0 HE2 LYS B 59 -7.364 8.342 -1.169 1.00 3.03 H new ATOM 0 HE3 LYS B 59 -8.002 9.527 -2.291 1.00 3.03 H new ATOM 0 HZ1 LYS B 59 -8.025 10.420 -0.100 1.00 3.52 H new ATOM 0 HZ2 LYS B 59 -9.634 10.163 -0.577 1.00 3.52 H new ATOM 0 HZ3 LYS B 59 -8.888 9.091 0.508 1.00 3.52 H new ATOM 2581 N MET B 60 -12.416 12.052 -3.924 1.00 0.87 N ATOM 2582 CA MET B 60 -13.308 12.672 -4.902 1.00 1.16 C ATOM 2583 C MET B 60 -12.573 13.758 -5.688 1.00 1.22 C ATOM 2584 O MET B 60 -12.443 13.649 -6.906 1.00 1.48 O ATOM 2585 CB MET B 60 -14.583 13.193 -4.222 1.00 1.36 C ATOM 2586 CG MET B 60 -15.585 13.733 -5.251 1.00 1.82 C ATOM 2587 SD MET B 60 -17.166 14.262 -4.547 1.00 2.01 S ATOM 2588 CE MET B 60 -17.989 14.842 -6.047 1.00 2.67 C ATOM 0 H MET B 60 -12.866 11.886 -3.024 1.00 0.87 H new ATOM 0 HA MET B 60 -13.623 11.918 -5.623 1.00 1.16 H new ATOM 0 HB2 MET B 60 -15.045 12.390 -3.648 1.00 1.36 H new ATOM 0 HB3 MET B 60 -14.324 13.981 -3.515 1.00 1.36 H new ATOM 0 HG2 MET B 60 -15.133 14.577 -5.773 1.00 1.82 H new ATOM 0 HG3 MET B 60 -15.773 12.961 -5.997 1.00 1.82 H new ATOM 0 HE1 MET B 60 -18.985 15.207 -5.797 1.00 2.67 H new ATOM 0 HE2 MET B 60 -17.408 15.649 -6.492 1.00 2.67 H new ATOM 0 HE3 MET B 60 -18.071 14.020 -6.758 1.00 2.67 H new ATOM 2598 N LYS B 61 -12.051 14.763 -4.982 1.00 1.13 N ATOM 2599 CA LYS B 61 -11.254 15.841 -5.561 1.00 1.47 C ATOM 2600 C LYS B 61 -10.117 15.273 -6.418 1.00 1.56 C ATOM 2601 O LYS B 61 -9.990 15.573 -7.606 1.00 1.83 O ATOM 2602 CB LYS B 61 -10.645 16.666 -4.421 1.00 1.64 C ATOM 2603 CG LYS B 61 -11.669 17.463 -3.605 1.00 1.74 C ATOM 2604 CD LYS B 61 -11.129 17.594 -2.178 1.00 1.71 C ATOM 2605 CE LYS B 61 -11.764 18.766 -1.420 1.00 2.25 C ATOM 2606 NZ LYS B 61 -11.591 18.642 0.043 1.00 2.74 N ATOM 0 H LYS B 61 -12.174 14.850 -3.973 1.00 1.13 H new ATOM 0 HA LYS B 61 -11.896 16.458 -6.190 1.00 1.47 H new ATOM 0 HB2 LYS B 61 -10.105 15.996 -3.751 1.00 1.64 H new ATOM 0 HB3 LYS B 61 -9.913 17.357 -4.839 1.00 1.64 H new ATOM 0 HG2 LYS B 61 -11.826 18.447 -4.046 1.00 1.74 H new ATOM 0 HG3 LYS B 61 -12.634 16.956 -3.603 1.00 1.74 H new ATOM 0 HD2 LYS B 61 -11.317 16.668 -1.634 1.00 1.71 H new ATOM 0 HD3 LYS B 61 -10.048 17.729 -2.212 1.00 1.71 H new ATOM 0 HE2 LYS B 61 -11.318 19.701 -1.759 1.00 2.25 H new ATOM 0 HE3 LYS B 61 -12.827 18.816 -1.656 1.00 2.25 H new ATOM 0 HZ1 LYS B 61 -12.482 18.320 0.472 1.00 2.74 H new ATOM 0 HZ2 LYS B 61 -10.840 17.952 0.247 1.00 2.74 H new ATOM 0 HZ3 LYS B 61 -11.329 19.566 0.441 1.00 2.74 H new ATOM 2620 N SER B 62 -9.266 14.470 -5.774 1.00 1.44 N ATOM 2621 CA SER B 62 -8.059 13.926 -6.377 1.00 1.71 C ATOM 2622 C SER B 62 -8.346 13.068 -7.608 1.00 1.88 C ATOM 2623 O SER B 62 -7.439 12.903 -8.422 1.00 2.39 O ATOM 2624 CB SER B 62 -7.244 13.126 -5.354 1.00 1.71 C ATOM 2625 OG SER B 62 -5.999 12.738 -5.913 1.00 1.92 O ATOM 0 H SER B 62 -9.403 14.179 -4.806 1.00 1.44 H new ATOM 0 HA SER B 62 -7.472 14.782 -6.710 1.00 1.71 H new ATOM 0 HB2 SER B 62 -7.078 13.728 -4.460 1.00 1.71 H new ATOM 0 HB3 SER B 62 -7.803 12.243 -5.044 1.00 1.71 H new ATOM 0 HG SER B 62 -6.092 12.641 -6.884 1.00 1.92 H new ATOM 2631 N LEU B 63 -9.541 12.482 -7.738 1.00 1.65 N ATOM 2632 CA LEU B 63 -9.901 11.785 -8.964 1.00 1.96 C ATOM 2633 C LEU B 63 -10.404 12.813 -9.967 1.00 2.23 C ATOM 2634 O LEU B 63 -9.889 12.899 -11.084 1.00 2.62 O ATOM 2635 CB LEU B 63 -10.964 10.691 -8.766 1.00 1.87 C ATOM 2636 CG LEU B 63 -10.700 9.596 -7.714 1.00 1.60 C ATOM 2637 CD1 LEU B 63 -9.326 9.569 -7.031 1.00 1.53 C ATOM 2638 CD2 LEU B 63 -11.816 9.656 -6.677 1.00 1.92 C ATOM 0 H LEU B 63 -10.262 12.479 -7.017 1.00 1.65 H new ATOM 0 HA LEU B 63 -9.008 11.274 -9.324 1.00 1.96 H new ATOM 0 HB2 LEU B 63 -11.902 11.182 -8.506 1.00 1.87 H new ATOM 0 HB3 LEU B 63 -11.117 10.199 -9.726 1.00 1.87 H new ATOM 0 HG LEU B 63 -10.690 8.663 -8.278 1.00 1.60 H new ATOM 0 HD11 LEU B 63 -9.290 8.745 -6.318 1.00 1.53 H new ATOM 0 HD12 LEU B 63 -8.549 9.432 -7.783 1.00 1.53 H new ATOM 0 HD13 LEU B 63 -9.162 10.510 -6.507 1.00 1.53 H new ATOM 0 HD21 LEU B 63 -11.651 8.889 -5.920 1.00 1.92 H new ATOM 0 HD22 LEU B 63 -11.820 10.638 -6.204 1.00 1.92 H new ATOM 0 HD23 LEU B 63 -12.776 9.484 -7.165 1.00 1.92 H new ATOM 2650 N ASP B 64 -11.440 13.554 -9.553 1.00 2.02 N ATOM 2651 CA ASP B 64 -12.269 14.413 -10.392 1.00 2.11 C ATOM 2652 C ASP B 64 -11.426 15.184 -11.401 1.00 2.23 C ATOM 2653 O ASP B 64 -11.718 15.157 -12.597 1.00 2.44 O ATOM 2654 CB ASP B 64 -13.075 15.363 -9.503 1.00 1.98 C ATOM 2655 CG ASP B 64 -13.923 16.301 -10.345 1.00 2.22 C ATOM 2656 OD1 ASP B 64 -15.018 15.854 -10.749 1.00 1.70 O ATOM 2657 OD2 ASP B 64 -13.459 17.439 -10.563 1.00 3.96 O ATOM 0 H ASP B 64 -11.733 13.568 -8.576 1.00 2.02 H new ATOM 0 HA ASP B 64 -12.957 13.790 -10.964 1.00 2.11 H new ATOM 0 HB2 ASP B 64 -13.716 14.787 -8.835 1.00 1.98 H new ATOM 0 HB3 ASP B 64 -12.398 15.942 -8.875 1.00 1.98 H new ATOM 2662 N VAL B 65 -10.330 15.765 -10.898 1.00 2.13 N ATOM 2663 CA VAL B 65 -9.388 16.604 -11.628 1.00 2.31 C ATOM 2664 C VAL B 65 -9.127 16.120 -13.062 1.00 2.53 C ATOM 2665 O VAL B 65 -9.082 16.948 -13.970 1.00 3.08 O ATOM 2666 CB VAL B 65 -8.096 16.758 -10.802 1.00 2.24 C ATOM 2667 CG1 VAL B 65 -7.372 15.426 -10.567 1.00 2.80 C ATOM 2668 CG2 VAL B 65 -7.129 17.752 -11.456 1.00 3.38 C ATOM 0 H VAL B 65 -10.068 15.653 -9.919 1.00 2.13 H new ATOM 0 HA VAL B 65 -9.838 17.588 -11.756 1.00 2.31 H new ATOM 0 HB VAL B 65 -8.413 17.141 -9.832 1.00 2.24 H new ATOM 0 HG11 VAL B 65 -6.470 15.601 -9.980 1.00 2.80 H new ATOM 0 HG12 VAL B 65 -8.030 14.744 -10.028 1.00 2.80 H new ATOM 0 HG13 VAL B 65 -7.101 14.985 -11.526 1.00 2.80 H new ATOM 0 HG21 VAL B 65 -6.228 17.837 -10.848 1.00 3.38 H new ATOM 0 HG22 VAL B 65 -6.862 17.398 -12.452 1.00 3.38 H new ATOM 0 HG23 VAL B 65 -7.608 18.728 -11.534 1.00 3.38 H new ATOM 2678 N ASN B 66 -8.984 14.807 -13.293 1.00 2.06 N ATOM 2679 CA ASN B 66 -9.093 14.273 -14.651 1.00 1.96 C ATOM 2680 C ASN B 66 -9.464 12.792 -14.596 1.00 1.72 C ATOM 2681 O ASN B 66 -8.741 11.930 -15.095 1.00 1.55 O ATOM 2682 CB ASN B 66 -7.805 14.524 -15.454 1.00 1.93 C ATOM 2683 CG ASN B 66 -8.099 14.477 -16.950 1.00 1.99 C ATOM 2684 OD1 ASN B 66 -8.163 15.510 -17.609 1.00 2.70 O ATOM 2685 ND2 ASN B 66 -8.300 13.293 -17.512 1.00 2.96 N ATOM 0 H ASN B 66 -8.797 14.111 -12.571 1.00 2.06 H new ATOM 0 HA ASN B 66 -9.890 14.799 -15.178 1.00 1.96 H new ATOM 0 HB2 ASN B 66 -7.386 15.495 -15.189 1.00 1.93 H new ATOM 0 HB3 ASN B 66 -7.057 13.773 -15.199 1.00 1.93 H new ATOM 0 HD21 ASN B 66 -8.512 13.231 -18.508 1.00 2.96 H new ATOM 0 HD22 ASN B 66 -8.243 12.445 -16.949 1.00 2.96 H new ATOM 2692 N GLN B 67 -10.603 12.497 -13.967 1.00 1.82 N ATOM 2693 CA GLN B 67 -10.899 11.144 -13.511 1.00 1.74 C ATOM 2694 C GLN B 67 -10.983 10.101 -14.625 1.00 1.57 C ATOM 2695 O GLN B 67 -10.699 8.921 -14.415 1.00 1.55 O ATOM 2696 CB GLN B 67 -12.174 11.116 -12.661 1.00 2.02 C ATOM 2697 CG GLN B 67 -13.427 11.713 -13.332 1.00 2.10 C ATOM 2698 CD GLN B 67 -14.047 10.799 -14.387 1.00 1.94 C ATOM 2699 OE1 GLN B 67 -14.139 9.593 -14.179 1.00 2.82 O ATOM 2700 NE2 GLN B 67 -14.436 11.361 -15.527 1.00 2.56 N ATOM 0 H GLN B 67 -11.334 13.179 -13.763 1.00 1.82 H new ATOM 0 HA GLN B 67 -10.042 10.859 -12.901 1.00 1.74 H new ATOM 0 HB2 GLN B 67 -12.386 10.082 -12.388 1.00 2.02 H new ATOM 0 HB3 GLN B 67 -11.985 11.658 -11.734 1.00 2.02 H new ATOM 0 HG2 GLN B 67 -14.172 11.928 -12.566 1.00 2.10 H new ATOM 0 HG3 GLN B 67 -13.163 12.663 -13.796 1.00 2.10 H new ATOM 0 HE21 GLN B 67 -14.341 12.368 -15.657 1.00 2.56 H new ATOM 0 HE22 GLN B 67 -14.829 10.785 -16.271 1.00 2.56 H new ATOM 2709 N ASP B 68 -11.453 10.546 -15.787 1.00 1.55 N ATOM 2710 CA ASP B 68 -11.867 9.678 -16.877 1.00 1.46 C ATOM 2711 C ASP B 68 -10.749 8.729 -17.321 1.00 1.32 C ATOM 2712 O ASP B 68 -11.019 7.617 -17.762 1.00 1.67 O ATOM 2713 CB ASP B 68 -12.367 10.546 -18.044 1.00 1.41 C ATOM 2714 CG ASP B 68 -13.666 10.001 -18.617 1.00 2.11 C ATOM 2715 OD1 ASP B 68 -14.664 10.053 -17.861 1.00 3.43 O ATOM 2716 OD2 ASP B 68 -13.646 9.578 -19.791 1.00 2.70 O ATOM 0 H ASP B 68 -11.557 11.539 -15.998 1.00 1.55 H new ATOM 0 HA ASP B 68 -12.678 9.040 -16.526 1.00 1.46 H new ATOM 0 HB2 ASP B 68 -12.519 11.569 -17.701 1.00 1.41 H new ATOM 0 HB3 ASP B 68 -11.608 10.581 -18.826 1.00 1.41 H new ATOM 2721 N SER B 69 -9.499 9.190 -17.207 1.00 1.21 N ATOM 2722 CA SER B 69 -8.326 8.608 -17.842 1.00 1.51 C ATOM 2723 C SER B 69 -8.169 7.091 -17.649 1.00 1.84 C ATOM 2724 O SER B 69 -8.491 6.321 -18.550 1.00 3.52 O ATOM 2725 CB SER B 69 -7.098 9.394 -17.363 1.00 1.58 C ATOM 2726 OG SER B 69 -7.316 10.768 -17.606 1.00 2.29 O ATOM 0 H SER B 69 -9.275 10.012 -16.646 1.00 1.21 H new ATOM 0 HA SER B 69 -8.445 8.700 -18.922 1.00 1.51 H new ATOM 0 HB2 SER B 69 -6.929 9.220 -16.300 1.00 1.58 H new ATOM 0 HB3 SER B 69 -6.204 9.055 -17.887 1.00 1.58 H new ATOM 0 HG SER B 69 -6.538 11.281 -17.302 1.00 2.29 H new ATOM 2732 N GLU B 70 -7.593 6.680 -16.517 1.00 0.96 N ATOM 2733 CA GLU B 70 -7.042 5.356 -16.243 1.00 0.91 C ATOM 2734 C GLU B 70 -6.277 5.496 -14.929 1.00 0.90 C ATOM 2735 O GLU B 70 -6.164 6.611 -14.421 1.00 1.31 O ATOM 2736 CB GLU B 70 -6.091 4.883 -17.357 1.00 1.01 C ATOM 2737 CG GLU B 70 -4.940 5.878 -17.562 1.00 2.68 C ATOM 2738 CD GLU B 70 -3.996 5.451 -18.666 1.00 3.11 C ATOM 2739 OE1 GLU B 70 -3.643 4.252 -18.651 1.00 2.79 O ATOM 2740 OE2 GLU B 70 -3.483 6.340 -19.371 1.00 4.47 O ATOM 0 H GLU B 70 -7.494 7.306 -15.717 1.00 0.96 H new ATOM 0 HA GLU B 70 -7.838 4.614 -16.188 1.00 0.91 H new ATOM 0 HB2 GLU B 70 -5.687 3.903 -17.103 1.00 1.01 H new ATOM 0 HB3 GLU B 70 -6.646 4.767 -18.288 1.00 1.01 H new ATOM 0 HG2 GLU B 70 -5.350 6.860 -17.798 1.00 2.68 H new ATOM 0 HG3 GLU B 70 -4.383 5.981 -16.631 1.00 2.68 H new ATOM 2747 N LEU B 71 -5.730 4.405 -14.393 1.00 0.90 N ATOM 2748 CA LEU B 71 -5.049 4.432 -13.106 1.00 0.90 C ATOM 2749 C LEU B 71 -4.000 3.318 -13.021 1.00 0.95 C ATOM 2750 O LEU B 71 -4.156 2.272 -13.642 1.00 1.20 O ATOM 2751 CB LEU B 71 -6.117 4.350 -12.004 1.00 1.16 C ATOM 2752 CG LEU B 71 -5.527 4.475 -10.594 1.00 1.23 C ATOM 2753 CD1 LEU B 71 -6.329 5.474 -9.760 1.00 1.93 C ATOM 2754 CD2 LEU B 71 -5.494 3.127 -9.877 1.00 2.37 C ATOM 0 H LEU B 71 -5.748 3.487 -14.837 1.00 0.90 H new ATOM 0 HA LEU B 71 -4.493 5.361 -12.977 1.00 0.90 H new ATOM 0 HB2 LEU B 71 -6.852 5.141 -12.157 1.00 1.16 H new ATOM 0 HB3 LEU B 71 -6.647 3.401 -12.088 1.00 1.16 H new ATOM 0 HG LEU B 71 -4.503 4.833 -10.704 1.00 1.23 H new ATOM 0 HD11 LEU B 71 -5.894 5.548 -8.763 1.00 1.93 H new ATOM 0 HD12 LEU B 71 -6.304 6.452 -10.240 1.00 1.93 H new ATOM 0 HD13 LEU B 71 -7.362 5.135 -9.681 1.00 1.93 H new ATOM 0 HD21 LEU B 71 -5.070 3.255 -8.881 1.00 2.37 H new ATOM 0 HD22 LEU B 71 -6.508 2.735 -9.792 1.00 2.37 H new ATOM 0 HD23 LEU B 71 -4.881 2.427 -10.445 1.00 2.37 H new ATOM 2766 N LYS B 72 -2.922 3.553 -12.270 1.00 0.92 N ATOM 2767 CA LYS B 72 -1.772 2.686 -12.069 1.00 1.05 C ATOM 2768 C LYS B 72 -1.435 2.561 -10.571 1.00 0.88 C ATOM 2769 O LYS B 72 -2.036 3.196 -9.700 1.00 0.80 O ATOM 2770 CB LYS B 72 -0.562 3.246 -12.852 1.00 1.25 C ATOM 2771 CG LYS B 72 -0.246 2.503 -14.160 1.00 2.29 C ATOM 2772 CD LYS B 72 -1.212 2.765 -15.326 1.00 3.08 C ATOM 2773 CE LYS B 72 -1.293 4.253 -15.694 1.00 2.47 C ATOM 2774 NZ LYS B 72 -1.653 4.449 -17.112 1.00 3.37 N ATOM 0 H LYS B 72 -2.829 4.424 -11.748 1.00 0.92 H new ATOM 0 HA LYS B 72 -2.011 1.690 -12.441 1.00 1.05 H new ATOM 0 HB2 LYS B 72 -0.749 4.295 -13.082 1.00 1.25 H new ATOM 0 HB3 LYS B 72 0.317 3.212 -12.209 1.00 1.25 H new ATOM 0 HG2 LYS B 72 0.760 2.777 -14.478 1.00 2.29 H new ATOM 0 HG3 LYS B 72 -0.235 1.433 -13.955 1.00 2.29 H new ATOM 0 HD2 LYS B 72 -0.889 2.195 -16.197 1.00 3.08 H new ATOM 0 HD3 LYS B 72 -2.206 2.405 -15.059 1.00 3.08 H new ATOM 0 HE2 LYS B 72 -2.031 4.744 -15.060 1.00 2.47 H new ATOM 0 HE3 LYS B 72 -0.333 4.730 -15.494 1.00 2.47 H new ATOM 0 HZ1 LYS B 72 -1.731 5.466 -17.313 1.00 3.37 H new ATOM 0 HZ2 LYS B 72 -0.918 4.032 -17.718 1.00 3.37 H new ATOM 0 HZ3 LYS B 72 -2.564 3.987 -17.306 1.00 3.37 H new ATOM 2788 N PHE B 73 -0.444 1.701 -10.301 1.00 0.88 N ATOM 2789 CA PHE B 73 0.098 1.338 -8.996 1.00 0.77 C ATOM 2790 C PHE B 73 0.264 2.530 -8.051 1.00 0.60 C ATOM 2791 O PHE B 73 -0.155 2.470 -6.899 1.00 0.56 O ATOM 2792 CB PHE B 73 1.443 0.613 -9.184 1.00 0.99 C ATOM 2793 CG PHE B 73 1.423 -0.498 -10.220 1.00 1.29 C ATOM 2794 CD1 PHE B 73 0.887 -1.757 -9.891 1.00 3.16 C ATOM 2795 CD2 PHE B 73 1.831 -0.241 -11.544 1.00 1.94 C ATOM 2796 CE1 PHE B 73 0.752 -2.748 -10.879 1.00 4.47 C ATOM 2797 CE2 PHE B 73 1.631 -1.208 -12.545 1.00 3.08 C ATOM 2798 CZ PHE B 73 1.079 -2.457 -12.215 1.00 4.19 C ATOM 0 H PHE B 73 0.034 1.205 -11.053 1.00 0.88 H new ATOM 0 HA PHE B 73 -0.627 0.677 -8.522 1.00 0.77 H new ATOM 0 HB2 PHE B 73 2.198 1.345 -9.470 1.00 0.99 H new ATOM 0 HB3 PHE B 73 1.752 0.194 -8.226 1.00 0.99 H new ATOM 0 HD1 PHE B 73 0.578 -1.962 -8.877 1.00 3.16 H new ATOM 0 HD2 PHE B 73 2.298 0.701 -11.791 1.00 1.94 H new ATOM 0 HE1 PHE B 73 0.397 -3.732 -10.612 1.00 4.47 H new ATOM 0 HE2 PHE B 73 1.902 -0.991 -13.568 1.00 3.08 H new ATOM 0 HZ PHE B 73 0.906 -3.193 -12.987 1.00 4.19 H new ATOM 2808 N ASN B 74 0.918 3.594 -8.515 1.00 0.74 N ATOM 2809 CA ASN B 74 1.227 4.748 -7.680 1.00 0.81 C ATOM 2810 C ASN B 74 -0.051 5.382 -7.136 1.00 0.69 C ATOM 2811 O ASN B 74 -0.224 5.478 -5.920 1.00 0.74 O ATOM 2812 CB ASN B 74 2.091 5.740 -8.468 1.00 1.14 C ATOM 2813 CG ASN B 74 1.816 7.203 -8.116 1.00 1.76 C ATOM 2814 OD1 ASN B 74 2.246 7.701 -7.081 1.00 2.69 O ATOM 2815 ND2 ASN B 74 1.100 7.903 -8.987 1.00 2.63 N ATOM 0 H ASN B 74 1.246 3.678 -9.477 1.00 0.74 H new ATOM 0 HA ASN B 74 1.804 4.427 -6.813 1.00 0.81 H new ATOM 0 HB2 ASN B 74 3.142 5.521 -8.282 1.00 1.14 H new ATOM 0 HB3 ASN B 74 1.919 5.593 -9.534 1.00 1.14 H new ATOM 0 HD21 ASN B 74 0.893 8.885 -8.805 1.00 2.63 H new ATOM 0 HD22 ASN B 74 0.757 7.459 -9.839 1.00 2.63 H new ATOM 2822 N GLU B 75 -0.931 5.819 -8.036 1.00 0.67 N ATOM 2823 CA GLU B 75 -2.165 6.488 -7.669 1.00 0.67 C ATOM 2824 C GLU B 75 -2.977 5.566 -6.766 1.00 0.58 C ATOM 2825 O GLU B 75 -3.418 6.006 -5.706 1.00 0.65 O ATOM 2826 CB GLU B 75 -2.991 6.899 -8.893 1.00 0.90 C ATOM 2827 CG GLU B 75 -2.208 7.605 -10.009 1.00 1.32 C ATOM 2828 CD GLU B 75 -1.512 6.599 -10.911 1.00 2.59 C ATOM 2829 OE1 GLU B 75 -2.201 6.066 -11.804 1.00 3.78 O ATOM 2830 OE2 GLU B 75 -0.325 6.322 -10.624 1.00 3.27 O ATOM 0 H GLU B 75 -0.802 5.716 -9.042 1.00 0.67 H new ATOM 0 HA GLU B 75 -1.911 7.407 -7.140 1.00 0.67 H new ATOM 0 HB2 GLU B 75 -3.460 6.008 -9.310 1.00 0.90 H new ATOM 0 HB3 GLU B 75 -3.794 7.558 -8.563 1.00 0.90 H new ATOM 0 HG2 GLU B 75 -2.887 8.220 -10.600 1.00 1.32 H new ATOM 0 HG3 GLU B 75 -1.470 8.276 -9.571 1.00 1.32 H new ATOM 2837 N TYR B 76 -3.127 4.293 -7.173 1.00 0.55 N ATOM 2838 CA TYR B 76 -3.718 3.246 -6.340 1.00 0.65 C ATOM 2839 C TYR B 76 -3.209 3.401 -4.912 1.00 0.57 C ATOM 2840 O TYR B 76 -3.986 3.570 -3.972 1.00 0.59 O ATOM 2841 CB TYR B 76 -3.409 1.848 -6.918 1.00 0.80 C ATOM 2842 CG TYR B 76 -3.554 0.665 -5.965 1.00 1.27 C ATOM 2843 CD1 TYR B 76 -2.554 0.379 -5.015 1.00 2.35 C ATOM 2844 CD2 TYR B 76 -4.594 -0.262 -6.139 1.00 1.76 C ATOM 2845 CE1 TYR B 76 -2.746 -0.637 -4.067 1.00 2.79 C ATOM 2846 CE2 TYR B 76 -4.789 -1.294 -5.206 1.00 2.11 C ATOM 2847 CZ TYR B 76 -3.876 -1.466 -4.152 1.00 2.30 C ATOM 2848 OH TYR B 76 -4.039 -2.490 -3.270 1.00 2.81 O ATOM 0 H TYR B 76 -2.838 3.966 -8.095 1.00 0.55 H new ATOM 0 HA TYR B 76 -4.803 3.348 -6.332 1.00 0.65 H new ATOM 0 HB2 TYR B 76 -4.066 1.680 -7.771 1.00 0.80 H new ATOM 0 HB3 TYR B 76 -2.388 1.855 -7.298 1.00 0.80 H new ATOM 0 HD1 TYR B 76 -1.634 0.945 -5.017 1.00 2.35 H new ATOM 0 HD2 TYR B 76 -5.248 -0.181 -6.995 1.00 1.76 H new ATOM 0 HE1 TYR B 76 -2.027 -0.781 -3.274 1.00 2.79 H new ATOM 0 HE2 TYR B 76 -5.639 -1.954 -5.299 1.00 2.11 H new ATOM 0 HH TYR B 76 -3.617 -2.257 -2.417 1.00 2.81 H new ATOM 2858 N TRP B 77 -1.887 3.359 -4.764 1.00 0.54 N ATOM 2859 CA TRP B 77 -1.249 3.386 -3.471 1.00 0.55 C ATOM 2860 C TRP B 77 -1.628 4.616 -2.657 1.00 0.58 C ATOM 2861 O TRP B 77 -2.304 4.497 -1.637 1.00 0.74 O ATOM 2862 CB TRP B 77 0.259 3.275 -3.654 1.00 0.52 C ATOM 2863 CG TRP B 77 0.784 2.127 -2.895 1.00 0.45 C ATOM 2864 CD1 TRP B 77 1.067 2.173 -1.587 1.00 0.47 C ATOM 2865 CD2 TRP B 77 1.100 0.782 -3.343 1.00 0.44 C ATOM 2866 NE1 TRP B 77 1.530 0.953 -1.187 1.00 0.46 N ATOM 2867 CE2 TRP B 77 1.644 0.076 -2.237 1.00 0.45 C ATOM 2868 CE3 TRP B 77 1.067 0.106 -4.577 1.00 0.50 C ATOM 2869 CZ2 TRP B 77 2.180 -1.208 -2.355 1.00 0.51 C ATOM 2870 CZ3 TRP B 77 1.571 -1.196 -4.680 1.00 0.59 C ATOM 2871 CH2 TRP B 77 2.116 -1.857 -3.589 1.00 0.59 C ATOM 0 H TRP B 77 -1.235 3.305 -5.547 1.00 0.54 H new ATOM 0 HA TRP B 77 -1.605 2.532 -2.896 1.00 0.55 H new ATOM 0 HB2 TRP B 77 0.496 3.159 -4.712 1.00 0.52 H new ATOM 0 HB3 TRP B 77 0.741 4.193 -3.318 1.00 0.52 H new ATOM 0 HD1 TRP B 77 0.948 3.037 -0.950 1.00 0.47 H new ATOM 0 HE1 TRP B 77 1.764 0.720 -0.222 1.00 0.46 H new ATOM 0 HE3 TRP B 77 0.652 0.593 -5.447 1.00 0.50 H new ATOM 0 HZ2 TRP B 77 2.637 -1.692 -1.504 1.00 0.51 H new ATOM 0 HZ3 TRP B 77 1.535 -1.699 -5.635 1.00 0.59 H new ATOM 0 HH2 TRP B 77 2.488 -2.866 -3.694 1.00 0.59 H new ATOM 2882 N ARG B 78 -1.161 5.789 -3.087 1.00 0.55 N ATOM 2883 CA ARG B 78 -1.422 7.055 -2.418 1.00 0.72 C ATOM 2884 C ARG B 78 -2.931 7.191 -2.089 1.00 0.83 C ATOM 2885 O ARG B 78 -3.267 7.626 -0.990 1.00 1.08 O ATOM 2886 CB ARG B 78 -0.846 8.231 -3.248 1.00 0.85 C ATOM 2887 CG ARG B 78 0.570 7.941 -3.804 1.00 1.80 C ATOM 2888 CD ARG B 78 1.539 9.130 -3.953 1.00 2.32 C ATOM 2889 NE ARG B 78 1.265 9.949 -5.146 1.00 2.52 N ATOM 2890 CZ ARG B 78 2.162 10.703 -5.820 1.00 3.50 C ATOM 2891 NH1 ARG B 78 3.463 10.721 -5.517 1.00 4.33 N ATOM 2892 NH2 ARG B 78 1.748 11.483 -6.824 1.00 4.22 N ATOM 0 H ARG B 78 -0.583 5.883 -3.922 1.00 0.55 H new ATOM 0 HA ARG B 78 -0.905 7.084 -1.459 1.00 0.72 H new ATOM 0 HB2 ARG B 78 -1.519 8.447 -4.078 1.00 0.85 H new ATOM 0 HB3 ARG B 78 -0.810 9.125 -2.625 1.00 0.85 H new ATOM 0 HG2 ARG B 78 1.041 7.204 -3.154 1.00 1.80 H new ATOM 0 HG3 ARG B 78 0.457 7.476 -4.783 1.00 1.80 H new ATOM 0 HD2 ARG B 78 1.474 9.758 -3.065 1.00 2.32 H new ATOM 0 HD3 ARG B 78 2.561 8.755 -4.004 1.00 2.32 H new ATOM 0 HE ARG B 78 0.307 9.947 -5.497 1.00 2.52 H new ATOM 0 HH11 ARG B 78 3.816 10.150 -4.749 1.00 4.33 H new ATOM 0 HH12 ARG B 78 4.104 11.306 -6.054 1.00 4.33 H new ATOM 0 HH21 ARG B 78 0.760 11.507 -7.077 1.00 4.22 H new ATOM 0 HH22 ARG B 78 2.420 12.054 -7.336 1.00 4.22 H new ATOM 2906 N LEU B 79 -3.840 6.762 -2.984 1.00 0.70 N ATOM 2907 CA LEU B 79 -5.279 6.704 -2.691 1.00 0.72 C ATOM 2908 C LEU B 79 -5.595 5.792 -1.502 1.00 0.88 C ATOM 2909 O LEU B 79 -6.185 6.256 -0.524 1.00 1.16 O ATOM 2910 CB LEU B 79 -6.108 6.248 -3.904 1.00 0.65 C ATOM 2911 CG LEU B 79 -6.741 7.365 -4.754 1.00 0.81 C ATOM 2912 CD1 LEU B 79 -5.781 8.523 -5.062 1.00 1.14 C ATOM 2913 CD2 LEU B 79 -7.196 6.739 -6.074 1.00 1.22 C ATOM 0 H LEU B 79 -3.597 6.448 -3.924 1.00 0.70 H new ATOM 0 HA LEU B 79 -5.560 7.726 -2.437 1.00 0.72 H new ATOM 0 HB2 LEU B 79 -5.468 5.647 -4.550 1.00 0.65 H new ATOM 0 HB3 LEU B 79 -6.905 5.595 -3.548 1.00 0.65 H new ATOM 0 HG LEU B 79 -7.566 7.790 -4.183 1.00 0.81 H new ATOM 0 HD11 LEU B 79 -6.296 9.272 -5.664 1.00 1.14 H new ATOM 0 HD12 LEU B 79 -5.445 8.975 -4.129 1.00 1.14 H new ATOM 0 HD13 LEU B 79 -4.919 8.145 -5.612 1.00 1.14 H new ATOM 0 HD21 LEU B 79 -7.651 7.505 -6.702 1.00 1.22 H new ATOM 0 HD22 LEU B 79 -6.336 6.310 -6.589 1.00 1.22 H new ATOM 0 HD23 LEU B 79 -7.926 5.955 -5.872 1.00 1.22 H new ATOM 2925 N ILE B 80 -5.279 4.490 -1.568 1.00 0.76 N ATOM 2926 CA ILE B 80 -5.667 3.620 -0.455 1.00 0.87 C ATOM 2927 C ILE B 80 -4.959 4.033 0.831 1.00 0.89 C ATOM 2928 O ILE B 80 -5.455 3.770 1.921 1.00 0.96 O ATOM 2929 CB ILE B 80 -5.571 2.110 -0.724 1.00 0.91 C ATOM 2930 CG1 ILE B 80 -4.146 1.590 -0.576 1.00 0.86 C ATOM 2931 CG2 ILE B 80 -6.135 1.768 -2.088 1.00 0.95 C ATOM 2932 CD1 ILE B 80 -3.971 0.089 -0.813 1.00 0.71 C ATOM 0 H ILE B 80 -4.783 4.037 -2.336 1.00 0.76 H new ATOM 0 HA ILE B 80 -6.738 3.780 -0.331 1.00 0.87 H new ATOM 0 HB ILE B 80 -6.174 1.609 0.033 1.00 0.91 H new ATOM 0 HG12 ILE B 80 -3.506 2.129 -1.274 1.00 0.86 H new ATOM 0 HG13 ILE B 80 -3.793 1.826 0.428 1.00 0.86 H new ATOM 0 HG21 ILE B 80 -6.056 0.694 -2.256 1.00 0.95 H new ATOM 0 HG22 ILE B 80 -7.182 2.066 -2.134 1.00 0.95 H new ATOM 0 HG23 ILE B 80 -5.573 2.297 -2.857 1.00 0.95 H new ATOM 0 HD11 ILE B 80 -2.923 -0.180 -0.684 1.00 0.71 H new ATOM 0 HD12 ILE B 80 -4.579 -0.466 -0.098 1.00 0.71 H new ATOM 0 HD13 ILE B 80 -4.287 -0.159 -1.826 1.00 0.71 H new ATOM 2944 N GLY B 81 -3.819 4.709 0.706 1.00 0.85 N ATOM 2945 CA GLY B 81 -3.173 5.383 1.809 1.00 0.91 C ATOM 2946 C GLY B 81 -4.128 6.271 2.593 1.00 0.92 C ATOM 2947 O GLY B 81 -4.036 6.326 3.820 1.00 1.19 O ATOM 0 H GLY B 81 -3.319 4.800 -0.178 1.00 0.85 H new ATOM 0 HA2 GLY B 81 -2.740 4.641 2.480 1.00 0.91 H new ATOM 0 HA3 GLY B 81 -2.350 5.988 1.428 1.00 0.91 H new ATOM 2951 N GLU B 82 -5.054 6.961 1.919 1.00 0.76 N ATOM 2952 CA GLU B 82 -6.047 7.723 2.637 1.00 0.89 C ATOM 2953 C GLU B 82 -7.176 6.818 3.107 1.00 0.84 C ATOM 2954 O GLU B 82 -7.623 6.968 4.240 1.00 0.84 O ATOM 2955 CB GLU B 82 -6.547 8.859 1.775 1.00 1.15 C ATOM 2956 CG GLU B 82 -5.416 9.827 1.414 1.00 1.11 C ATOM 2957 CD GLU B 82 -5.966 11.234 1.296 1.00 2.39 C ATOM 2958 OE1 GLU B 82 -6.863 11.395 0.440 1.00 2.92 O ATOM 2959 OE2 GLU B 82 -5.564 12.074 2.127 1.00 3.64 O ATOM 0 H GLU B 82 -5.127 7.000 0.902 1.00 0.76 H new ATOM 0 HA GLU B 82 -5.595 8.159 3.528 1.00 0.89 H new ATOM 0 HB2 GLU B 82 -6.990 8.458 0.863 1.00 1.15 H new ATOM 0 HB3 GLU B 82 -7.335 9.398 2.302 1.00 1.15 H new ATOM 0 HG2 GLU B 82 -4.638 9.793 2.177 1.00 1.11 H new ATOM 0 HG3 GLU B 82 -4.954 9.527 0.474 1.00 1.11 H new ATOM 2966 N LEU B 83 -7.616 5.854 2.290 1.00 0.81 N ATOM 2967 CA LEU B 83 -8.655 4.928 2.734 1.00 0.80 C ATOM 2968 C LEU B 83 -8.273 4.253 4.050 1.00 0.70 C ATOM 2969 O LEU B 83 -9.115 4.144 4.937 1.00 0.68 O ATOM 2970 CB LEU B 83 -9.053 3.927 1.649 1.00 0.86 C ATOM 2971 CG LEU B 83 -9.967 4.614 0.622 1.00 1.98 C ATOM 2972 CD1 LEU B 83 -9.733 4.065 -0.781 1.00 2.94 C ATOM 2973 CD2 LEU B 83 -11.441 4.400 0.994 1.00 2.45 C ATOM 0 H LEU B 83 -7.277 5.699 1.341 1.00 0.81 H new ATOM 0 HA LEU B 83 -9.550 5.519 2.928 1.00 0.80 H new ATOM 0 HB2 LEU B 83 -8.163 3.538 1.155 1.00 0.86 H new ATOM 0 HB3 LEU B 83 -9.567 3.076 2.096 1.00 0.86 H new ATOM 0 HG LEU B 83 -9.729 5.678 0.633 1.00 1.98 H new ATOM 0 HD11 LEU B 83 -10.394 4.571 -1.485 1.00 2.94 H new ATOM 0 HD12 LEU B 83 -8.696 4.236 -1.070 1.00 2.94 H new ATOM 0 HD13 LEU B 83 -9.941 2.995 -0.792 1.00 2.94 H new ATOM 0 HD21 LEU B 83 -12.077 4.892 0.258 1.00 2.45 H new ATOM 0 HD22 LEU B 83 -11.661 3.333 1.008 1.00 2.45 H new ATOM 0 HD23 LEU B 83 -11.633 4.823 1.980 1.00 2.45 H new ATOM 2985 N ALA B 84 -7.001 3.874 4.229 1.00 0.72 N ATOM 2986 CA ALA B 84 -6.470 3.455 5.514 1.00 0.77 C ATOM 2987 C ALA B 84 -6.931 4.330 6.698 1.00 0.76 C ATOM 2988 O ALA B 84 -7.164 3.772 7.772 1.00 0.79 O ATOM 2989 CB ALA B 84 -4.947 3.322 5.434 1.00 0.97 C ATOM 0 H ALA B 84 -6.314 3.853 3.475 1.00 0.72 H new ATOM 0 HA ALA B 84 -6.892 2.474 5.731 1.00 0.77 H new ATOM 0 HB1 ALA B 84 -4.558 3.007 6.402 1.00 0.97 H new ATOM 0 HB2 ALA B 84 -4.686 2.580 4.679 1.00 0.97 H new ATOM 0 HB3 ALA B 84 -4.512 4.284 5.163 1.00 0.97 H new ATOM 2995 N LYS B 85 -7.074 5.650 6.512 1.00 0.89 N ATOM 2996 CA LYS B 85 -7.716 6.574 7.450 1.00 1.10 C ATOM 2997 C LYS B 85 -9.244 6.386 7.439 1.00 1.06 C ATOM 2998 O LYS B 85 -9.863 6.238 8.490 1.00 1.36 O ATOM 2999 CB LYS B 85 -7.444 8.057 7.091 1.00 1.51 C ATOM 3000 CG LYS B 85 -6.050 8.483 6.597 1.00 1.06 C ATOM 3001 CD LYS B 85 -6.226 9.802 5.813 1.00 1.25 C ATOM 3002 CE LYS B 85 -4.924 10.378 5.238 1.00 2.04 C ATOM 3003 NZ LYS B 85 -4.186 11.203 6.214 1.00 2.88 N ATOM 0 H LYS B 85 -6.732 6.118 5.673 1.00 0.89 H new ATOM 0 HA LYS B 85 -7.294 6.347 8.429 1.00 1.10 H new ATOM 0 HB2 LYS B 85 -8.162 8.342 6.322 1.00 1.51 H new ATOM 0 HB3 LYS B 85 -7.671 8.652 7.975 1.00 1.51 H new ATOM 0 HG2 LYS B 85 -5.370 8.623 7.438 1.00 1.06 H new ATOM 0 HG3 LYS B 85 -5.615 7.712 5.960 1.00 1.06 H new ATOM 0 HD2 LYS B 85 -6.926 9.633 4.995 1.00 1.25 H new ATOM 0 HD3 LYS B 85 -6.677 10.544 6.471 1.00 1.25 H new ATOM 0 HE2 LYS B 85 -4.286 9.560 4.904 1.00 2.04 H new ATOM 0 HE3 LYS B 85 -5.155 10.981 4.360 1.00 2.04 H new ATOM 0 HZ1 LYS B 85 -3.163 11.080 6.070 1.00 2.88 H new ATOM 0 HZ2 LYS B 85 -4.436 12.204 6.082 1.00 2.88 H new ATOM 0 HZ3 LYS B 85 -4.438 10.908 7.179 1.00 2.88 H new ATOM 3017 N GLU B 86 -9.846 6.495 6.251 1.00 0.85 N ATOM 3018 CA GLU B 86 -11.285 6.623 6.020 1.00 0.84 C ATOM 3019 C GLU B 86 -12.044 5.431 6.629 1.00 1.04 C ATOM 3020 O GLU B 86 -12.942 5.612 7.455 1.00 1.47 O ATOM 3021 CB GLU B 86 -11.540 6.837 4.515 1.00 0.81 C ATOM 3022 CG GLU B 86 -10.740 7.990 3.887 1.00 1.13 C ATOM 3023 CD GLU B 86 -10.696 7.921 2.360 1.00 1.45 C ATOM 3024 OE1 GLU B 86 -11.689 7.439 1.782 1.00 2.09 O ATOM 3025 OE2 GLU B 86 -9.682 8.380 1.784 1.00 2.52 O ATOM 0 H GLU B 86 -9.314 6.496 5.381 1.00 0.85 H new ATOM 0 HA GLU B 86 -11.679 7.500 6.533 1.00 0.84 H new ATOM 0 HB2 GLU B 86 -11.300 5.915 3.985 1.00 0.81 H new ATOM 0 HB3 GLU B 86 -12.603 7.025 4.363 1.00 0.81 H new ATOM 0 HG2 GLU B 86 -11.182 8.939 4.190 1.00 1.13 H new ATOM 0 HG3 GLU B 86 -9.722 7.973 4.276 1.00 1.13 H new ATOM 3032 N ILE B 87 -11.649 4.215 6.265 1.00 0.83 N ATOM 3033 CA ILE B 87 -12.069 2.949 6.808 1.00 0.97 C ATOM 3034 C ILE B 87 -11.295 2.623 8.097 1.00 0.96 C ATOM 3035 O ILE B 87 -10.128 2.227 8.090 1.00 0.87 O ATOM 3036 CB ILE B 87 -12.039 1.870 5.709 1.00 1.12 C ATOM 3037 CG1 ILE B 87 -12.626 0.545 6.211 1.00 1.63 C ATOM 3038 CG2 ILE B 87 -10.673 1.695 5.036 1.00 1.65 C ATOM 3039 CD1 ILE B 87 -13.940 0.224 5.493 1.00 3.01 C ATOM 0 H ILE B 87 -10.967 4.091 5.516 1.00 0.83 H new ATOM 0 HA ILE B 87 -13.109 2.992 7.131 1.00 0.97 H new ATOM 0 HB ILE B 87 -12.686 2.237 4.913 1.00 1.12 H new ATOM 0 HG12 ILE B 87 -11.910 -0.260 6.046 1.00 1.63 H new ATOM 0 HG13 ILE B 87 -12.799 0.603 7.286 1.00 1.63 H new ATOM 0 HG21 ILE B 87 -10.739 0.917 4.275 1.00 1.65 H new ATOM 0 HG22 ILE B 87 -10.374 2.634 4.570 1.00 1.65 H new ATOM 0 HG23 ILE B 87 -9.933 1.410 5.784 1.00 1.65 H new ATOM 0 HD11 ILE B 87 -14.337 -0.720 5.866 1.00 3.01 H new ATOM 0 HD12 ILE B 87 -14.661 1.020 5.680 1.00 3.01 H new ATOM 0 HD13 ILE B 87 -13.759 0.143 4.421 1.00 3.01 H new ATOM 3051 N ARG B 88 -11.980 2.756 9.235 1.00 1.28 N ATOM 3052 CA ARG B 88 -11.405 2.516 10.554 1.00 1.48 C ATOM 3053 C ARG B 88 -11.434 1.001 10.808 1.00 1.51 C ATOM 3054 O ARG B 88 -12.451 0.454 11.228 1.00 2.18 O ATOM 3055 CB ARG B 88 -12.151 3.315 11.640 1.00 1.90 C ATOM 3056 CG ARG B 88 -11.787 4.811 11.711 1.00 2.14 C ATOM 3057 CD ARG B 88 -12.292 5.669 10.537 1.00 3.42 C ATOM 3058 NE ARG B 88 -11.927 7.089 10.717 1.00 4.31 N ATOM 3059 CZ ARG B 88 -12.231 8.113 9.892 1.00 5.66 C ATOM 3060 NH1 ARG B 88 -12.935 7.921 8.774 1.00 6.50 N ATOM 3061 NH2 ARG B 88 -11.829 9.352 10.199 1.00 6.61 N ATOM 0 H ARG B 88 -12.960 3.037 9.263 1.00 1.28 H new ATOM 0 HA ARG B 88 -10.373 2.865 10.593 1.00 1.48 H new ATOM 0 HB2 ARG B 88 -13.223 3.225 11.465 1.00 1.90 H new ATOM 0 HB3 ARG B 88 -11.947 2.860 12.609 1.00 1.90 H new ATOM 0 HG2 ARG B 88 -12.188 5.222 12.638 1.00 2.14 H new ATOM 0 HG3 ARG B 88 -10.702 4.902 11.765 1.00 2.14 H new ATOM 0 HD2 ARG B 88 -11.869 5.298 9.604 1.00 3.42 H new ATOM 0 HD3 ARG B 88 -13.375 5.577 10.455 1.00 3.42 H new ATOM 0 HE ARG B 88 -11.389 7.320 11.552 1.00 4.31 H new ATOM 0 HH11 ARG B 88 -13.255 6.985 8.528 1.00 6.50 H new ATOM 0 HH12 ARG B 88 -13.152 8.711 8.166 1.00 6.50 H new ATOM 0 HH21 ARG B 88 -11.296 9.518 11.053 1.00 6.61 H new ATOM 0 HH22 ARG B 88 -12.056 10.130 9.579 1.00 6.61 H new ATOM 3075 N LYS B 89 -10.326 0.333 10.469 1.00 1.08 N ATOM 3076 CA LYS B 89 -10.177 -1.120 10.449 1.00 1.13 C ATOM 3077 C LYS B 89 -9.893 -1.734 11.819 1.00 1.40 C ATOM 3078 O LYS B 89 -10.555 -2.704 12.192 1.00 1.52 O ATOM 3079 CB LYS B 89 -9.072 -1.507 9.462 1.00 1.43 C ATOM 3080 CG LYS B 89 -9.394 -1.179 7.995 1.00 1.89 C ATOM 3081 CD LYS B 89 -8.110 -1.201 7.152 1.00 1.62 C ATOM 3082 CE LYS B 89 -7.527 0.191 6.850 1.00 2.62 C ATOM 3083 NZ LYS B 89 -7.669 1.155 7.964 1.00 4.29 N ATOM 0 H LYS B 89 -9.472 0.816 10.189 1.00 1.08 H new ATOM 0 HA LYS B 89 -11.138 -1.526 10.132 1.00 1.13 H new ATOM 0 HB2 LYS B 89 -8.153 -0.994 9.744 1.00 1.43 H new ATOM 0 HB3 LYS B 89 -8.880 -2.576 9.550 1.00 1.43 H new ATOM 0 HG2 LYS B 89 -10.108 -1.902 7.602 1.00 1.89 H new ATOM 0 HG3 LYS B 89 -9.864 -0.198 7.929 1.00 1.89 H new ATOM 0 HD2 LYS B 89 -7.357 -1.792 7.673 1.00 1.62 H new ATOM 0 HD3 LYS B 89 -8.317 -1.708 6.209 1.00 1.62 H new ATOM 0 HE2 LYS B 89 -6.470 0.086 6.606 1.00 2.62 H new ATOM 0 HE3 LYS B 89 -8.020 0.597 5.966 1.00 2.62 H new ATOM 0 HZ1 LYS B 89 -7.181 2.041 7.721 1.00 4.29 H new ATOM 0 HZ2 LYS B 89 -8.677 1.350 8.128 1.00 4.29 H new ATOM 0 HZ3 LYS B 89 -7.249 0.753 8.826 1.00 4.29 H new ATOM 3097 N LYS B 90 -8.889 -1.216 12.543 1.00 1.80 N ATOM 3098 CA LYS B 90 -8.499 -1.726 13.858 1.00 2.36 C ATOM 3099 C LYS B 90 -9.557 -1.297 14.880 1.00 2.11 C ATOM 3100 O LYS B 90 -9.319 -0.454 15.741 1.00 2.60 O ATOM 3101 CB LYS B 90 -7.065 -1.285 14.221 1.00 3.43 C ATOM 3102 CG LYS B 90 -6.549 -1.999 15.487 1.00 4.74 C ATOM 3103 CD LYS B 90 -5.081 -1.658 15.796 1.00 6.22 C ATOM 3104 CE LYS B 90 -4.623 -2.373 17.084 1.00 7.76 C ATOM 3105 NZ LYS B 90 -3.201 -2.123 17.419 1.00 9.17 N ATOM 0 H LYS B 90 -8.324 -0.427 12.227 1.00 1.80 H new ATOM 0 HA LYS B 90 -8.466 -2.815 13.854 1.00 2.36 H new ATOM 0 HB2 LYS B 90 -6.397 -1.498 13.386 1.00 3.43 H new ATOM 0 HB3 LYS B 90 -7.045 -0.207 14.378 1.00 3.43 H new ATOM 0 HG2 LYS B 90 -7.171 -1.719 16.337 1.00 4.74 H new ATOM 0 HG3 LYS B 90 -6.650 -3.077 15.359 1.00 4.74 H new ATOM 0 HD2 LYS B 90 -4.448 -1.958 14.961 1.00 6.22 H new ATOM 0 HD3 LYS B 90 -4.968 -0.580 15.911 1.00 6.22 H new ATOM 0 HE2 LYS B 90 -5.248 -2.046 17.915 1.00 7.76 H new ATOM 0 HE3 LYS B 90 -4.779 -3.446 16.971 1.00 7.76 H new ATOM 0 HZ1 LYS B 90 -2.740 -3.021 17.670 1.00 9.17 H new ATOM 0 HZ2 LYS B 90 -2.719 -1.705 16.598 1.00 9.17 H new ATOM 0 HZ3 LYS B 90 -3.144 -1.468 18.224 1.00 9.17 H new ATOM 3119 N LYS B 91 -10.741 -1.886 14.730 1.00 2.48 N ATOM 3120 CA LYS B 91 -11.963 -1.634 15.459 1.00 3.90 C ATOM 3121 C LYS B 91 -12.946 -2.725 15.033 1.00 4.25 C ATOM 3122 O LYS B 91 -13.418 -3.481 15.878 1.00 5.27 O ATOM 3123 CB LYS B 91 -12.506 -0.229 15.148 1.00 4.90 C ATOM 3124 CG LYS B 91 -13.767 0.056 15.974 1.00 6.05 C ATOM 3125 CD LYS B 91 -14.455 1.335 15.481 1.00 7.24 C ATOM 3126 CE LYS B 91 -15.763 1.622 16.232 1.00 8.25 C ATOM 3127 NZ LYS B 91 -16.723 0.504 16.127 1.00 8.58 N ATOM 0 H LYS B 91 -10.872 -2.616 14.030 1.00 2.48 H new ATOM 0 HA LYS B 91 -11.799 -1.662 16.536 1.00 3.90 H new ATOM 0 HB2 LYS B 91 -11.744 0.519 15.368 1.00 4.90 H new ATOM 0 HB3 LYS B 91 -12.735 -0.148 14.085 1.00 4.90 H new ATOM 0 HG2 LYS B 91 -14.455 -0.786 15.900 1.00 6.05 H new ATOM 0 HG3 LYS B 91 -13.503 0.160 17.026 1.00 6.05 H new ATOM 0 HD2 LYS B 91 -13.777 2.179 15.603 1.00 7.24 H new ATOM 0 HD3 LYS B 91 -14.663 1.245 14.415 1.00 7.24 H new ATOM 0 HE2 LYS B 91 -15.543 1.812 17.282 1.00 8.25 H new ATOM 0 HE3 LYS B 91 -16.218 2.528 15.833 1.00 8.25 H new ATOM 0 HZ1 LYS B 91 -17.673 0.879 15.932 1.00 8.58 H new ATOM 0 HZ2 LYS B 91 -16.435 -0.129 15.354 1.00 8.58 H new ATOM 0 HZ3 LYS B 91 -16.737 -0.026 17.022 1.00 8.58 H new ATOM 3141 N ASP B 92 -13.250 -2.804 13.729 1.00 3.78 N ATOM 3142 CA ASP B 92 -14.252 -3.732 13.217 1.00 4.26 C ATOM 3143 C ASP B 92 -14.036 -4.101 11.739 1.00 3.58 C ATOM 3144 O ASP B 92 -14.980 -4.121 10.955 1.00 3.93 O ATOM 3145 CB ASP B 92 -15.658 -3.147 13.493 1.00 5.31 C ATOM 3146 CG ASP B 92 -15.813 -1.664 13.158 1.00 6.75 C ATOM 3147 OD1 ASP B 92 -15.364 -1.236 12.074 1.00 7.61 O ATOM 3148 OD2 ASP B 92 -16.365 -0.940 14.017 1.00 7.42 O ATOM 0 H ASP B 92 -12.809 -2.229 13.011 1.00 3.78 H new ATOM 0 HA ASP B 92 -14.153 -4.680 13.745 1.00 4.26 H new ATOM 0 HB2 ASP B 92 -16.391 -3.713 12.918 1.00 5.31 H new ATOM 0 HB3 ASP B 92 -15.897 -3.294 14.546 1.00 5.31 H new ATOM 3153 N LEU B 93 -12.835 -4.587 11.397 1.00 2.79 N ATOM 3154 CA LEU B 93 -12.554 -5.207 10.096 1.00 2.14 C ATOM 3155 C LEU B 93 -13.040 -6.652 10.078 1.00 1.68 C ATOM 3156 O LEU B 93 -13.952 -6.989 9.325 1.00 1.76 O ATOM 3157 CB LEU B 93 -11.048 -5.074 9.795 1.00 1.95 C ATOM 3158 CG LEU B 93 -10.543 -5.702 8.477 1.00 2.34 C ATOM 3159 CD1 LEU B 93 -9.248 -5.005 8.052 1.00 2.84 C ATOM 3160 CD2 LEU B 93 -10.233 -7.204 8.585 1.00 2.77 C ATOM 0 H LEU B 93 -12.027 -4.561 12.019 1.00 2.79 H new ATOM 0 HA LEU B 93 -13.099 -4.694 9.303 1.00 2.14 H new ATOM 0 HB2 LEU B 93 -10.796 -4.014 9.784 1.00 1.95 H new ATOM 0 HB3 LEU B 93 -10.496 -5.525 10.620 1.00 1.95 H new ATOM 0 HG LEU B 93 -11.349 -5.573 7.755 1.00 2.34 H new ATOM 0 HD11 LEU B 93 -8.887 -5.444 7.122 1.00 2.84 H new ATOM 0 HD12 LEU B 93 -9.439 -3.943 7.901 1.00 2.84 H new ATOM 0 HD13 LEU B 93 -8.495 -5.131 8.830 1.00 2.84 H new ATOM 0 HD21 LEU B 93 -9.884 -7.574 7.621 1.00 2.77 H new ATOM 0 HD22 LEU B 93 -9.459 -7.363 9.336 1.00 2.77 H new ATOM 0 HD23 LEU B 93 -11.136 -7.742 8.875 1.00 2.77 H new ATOM 3172 N LYS B 94 -12.491 -7.505 10.952 1.00 1.51 N ATOM 3173 CA LYS B 94 -12.880 -8.913 10.970 1.00 1.31 C ATOM 3174 C LYS B 94 -14.355 -9.088 11.337 1.00 1.50 C ATOM 3175 O LYS B 94 -14.923 -10.138 11.080 1.00 1.42 O ATOM 3176 CB LYS B 94 -11.949 -9.789 11.825 1.00 1.61 C ATOM 3177 CG LYS B 94 -10.567 -9.968 11.170 1.00 2.29 C ATOM 3178 CD LYS B 94 -9.686 -11.135 11.650 1.00 3.04 C ATOM 3179 CE LYS B 94 -9.812 -11.564 13.119 1.00 4.17 C ATOM 3180 NZ LYS B 94 -11.041 -12.347 13.371 1.00 5.37 N ATOM 0 H LYS B 94 -11.788 -7.247 11.644 1.00 1.51 H new ATOM 0 HA LYS B 94 -12.760 -9.277 9.950 1.00 1.31 H new ATOM 0 HB2 LYS B 94 -11.828 -9.337 12.810 1.00 1.61 H new ATOM 0 HB3 LYS B 94 -12.408 -10.766 11.977 1.00 1.61 H new ATOM 0 HG2 LYS B 94 -10.719 -10.083 10.097 1.00 2.29 H new ATOM 0 HG3 LYS B 94 -10.006 -9.045 11.315 1.00 2.29 H new ATOM 0 HD2 LYS B 94 -9.908 -12.001 11.027 1.00 3.04 H new ATOM 0 HD3 LYS B 94 -8.645 -10.868 11.466 1.00 3.04 H new ATOM 0 HE2 LYS B 94 -8.942 -12.158 13.398 1.00 4.17 H new ATOM 0 HE3 LYS B 94 -9.811 -10.679 13.755 1.00 4.17 H new ATOM 0 HZ1 LYS B 94 -10.848 -13.074 14.090 1.00 5.37 H new ATOM 0 HZ2 LYS B 94 -11.792 -11.714 13.712 1.00 5.37 H new ATOM 0 HZ3 LYS B 94 -11.348 -12.805 12.489 1.00 5.37 H new ATOM 3194 N ILE B 95 -14.983 -8.078 11.940 1.00 1.95 N ATOM 3195 CA ILE B 95 -16.417 -8.070 12.198 1.00 2.30 C ATOM 3196 C ILE B 95 -17.250 -8.139 10.907 1.00 2.34 C ATOM 3197 O ILE B 95 -18.414 -8.539 10.959 1.00 2.60 O ATOM 3198 CB ILE B 95 -16.776 -6.899 13.138 1.00 2.77 C ATOM 3199 CG1 ILE B 95 -16.638 -7.289 14.618 1.00 2.82 C ATOM 3200 CG2 ILE B 95 -18.207 -6.394 13.002 1.00 3.74 C ATOM 3201 CD1 ILE B 95 -15.193 -7.557 14.995 1.00 2.69 C ATOM 0 H ILE B 95 -14.504 -7.238 12.264 1.00 1.95 H new ATOM 0 HA ILE B 95 -16.688 -8.985 12.725 1.00 2.30 H new ATOM 0 HB ILE B 95 -16.073 -6.123 12.836 1.00 2.77 H new ATOM 0 HG12 ILE B 95 -17.035 -6.490 15.244 1.00 2.82 H new ATOM 0 HG13 ILE B 95 -17.237 -8.177 14.818 1.00 2.82 H new ATOM 0 HG21 ILE B 95 -18.371 -5.572 13.699 1.00 3.74 H new ATOM 0 HG22 ILE B 95 -18.374 -6.044 11.983 1.00 3.74 H new ATOM 0 HG23 ILE B 95 -18.901 -7.204 13.226 1.00 3.74 H new ATOM 0 HD11 ILE B 95 -15.136 -7.830 16.049 1.00 2.69 H new ATOM 0 HD12 ILE B 95 -14.804 -8.374 14.387 1.00 2.69 H new ATOM 0 HD13 ILE B 95 -14.599 -6.660 14.820 1.00 2.69 H new ATOM 3213 N ARG B 96 -16.685 -7.828 9.736 1.00 2.25 N ATOM 3214 CA ARG B 96 -17.259 -8.173 8.430 1.00 2.55 C ATOM 3215 C ARG B 96 -18.336 -7.192 7.962 1.00 3.31 C ATOM 3216 O ARG B 96 -18.341 -6.850 6.785 1.00 4.63 O ATOM 3217 CB ARG B 96 -17.840 -9.592 8.353 1.00 2.45 C ATOM 3218 CG ARG B 96 -17.094 -10.664 9.157 1.00 2.49 C ATOM 3219 CD ARG B 96 -17.613 -12.100 9.037 1.00 3.58 C ATOM 3220 NE ARG B 96 -19.079 -12.249 8.973 1.00 3.85 N ATOM 3221 CZ ARG B 96 -20.025 -11.766 9.801 1.00 3.87 C ATOM 3222 NH1 ARG B 96 -19.764 -10.866 10.751 1.00 3.78 N ATOM 3223 NH2 ARG B 96 -21.280 -12.185 9.637 1.00 5.03 N ATOM 0 H ARG B 96 -15.802 -7.322 9.667 1.00 2.25 H new ATOM 0 HA ARG B 96 -16.398 -8.113 7.765 1.00 2.55 H new ATOM 0 HB2 ARG B 96 -18.874 -9.560 8.698 1.00 2.45 H new ATOM 0 HB3 ARG B 96 -17.862 -9.899 7.307 1.00 2.45 H new ATOM 0 HG2 ARG B 96 -16.048 -10.653 8.850 1.00 2.49 H new ATOM 0 HG3 ARG B 96 -17.120 -10.380 10.209 1.00 2.49 H new ATOM 0 HD2 ARG B 96 -17.182 -12.549 8.142 1.00 3.58 H new ATOM 0 HD3 ARG B 96 -17.245 -12.672 9.889 1.00 3.58 H new ATOM 0 HE ARG B 96 -19.427 -12.798 8.187 1.00 3.85 H new ATOM 0 HH11 ARG B 96 -18.814 -10.515 10.874 1.00 3.78 H new ATOM 0 HH12 ARG B 96 -20.514 -10.529 11.355 1.00 3.78 H new ATOM 0 HH21 ARG B 96 -21.502 -12.854 8.900 1.00 5.03 H new ATOM 0 HH22 ARG B 96 -22.018 -11.837 10.249 1.00 5.03 H new