USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 554 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 101 SER OG : rot 180:sc= 0.584 USER MOD Set 1.2: B 102 GLN : amide:sc= 0.741 K(o=1.3,f=-2.4!) USER MOD Set 2.1: A 38 ASN : amide:sc= 0.328 X(o=0.35,f=0.1) USER MOD Set 2.2: A 39 SER OG : rot 157:sc= 0.0195 USER MOD Set 3.1: A 37 GLN :FLIP amide:sc= -0.827 F(o=-2!,f=-0.73) USER MOD Set 3.2: A 70 SER OG : rot -35:sc= 0.0986 USER MOD Single : A 21 ASN : amide:sc= -0.324 K(o=-0.32,f=-4.6!) USER MOD Single : A 31 THR OG1 : rot 76:sc= 1.23 USER MOD Single : A 34 LYS NZ :NH3+ -143:sc= 1.31 (180deg=1.08) USER MOD Single : A 43 GLN : amide:sc= -1.7! C(o=-1.7!,f=-3.8!) USER MOD Single : A 44 SER OG : rot 42:sc= 0.335 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 153:sc= 1.17 (180deg=0.765) USER MOD Single : A 55 LYS NZ :NH3+ -167:sc= -0.0128 (180deg=-0.213) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.2 USER MOD Single : A 65 MET CE :methyl -148:sc= -2.63! (180deg=-5.39!) USER MOD Single : A 68 GLN : amide:sc= -0.398 K(o=-0.4,f=-1) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 THR OG1 : rot -77:sc= 0.445 USER MOD Single : B 104 LYS NZ :NH3+ 153:sc= 1.25 (180deg=0.482) USER MOD Single : B 107 GLN :FLIP amide:sc= -0.0286 F(o=-1.3,f=-0.029) USER MOD Single : B 112 SER OG : rot 3:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 20 -14.534 -6.018 2.480 1.00 0.00 N ATOM 2 CA GLU A 20 -15.570 -5.560 1.564 1.00 0.00 C ATOM 3 C GLU A 20 -15.068 -4.417 0.679 1.00 0.00 C ATOM 4 O GLU A 20 -15.597 -4.180 -0.405 1.00 0.00 O ATOM 5 CB GLU A 20 -16.792 -5.096 2.359 1.00 0.00 C ATOM 6 CG GLU A 20 -16.476 -4.011 3.357 1.00 0.00 C ATOM 7 CD GLU A 20 -17.711 -3.349 3.921 1.00 0.00 C ATOM 8 OE1 GLU A 20 -18.405 -2.646 3.164 1.00 0.00 O ATOM 9 OE2 GLU A 20 -17.973 -3.502 5.128 1.00 0.00 O ATOM 0 HA GLU A 20 -15.843 -6.394 0.918 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -17.551 -4.733 1.666 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -17.221 -5.949 2.884 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -15.893 -4.436 4.174 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -15.852 -3.256 2.879 1.00 0.00 H new ATOM 16 N ASN A 21 -14.049 -3.711 1.150 1.00 0.00 N ATOM 17 CA ASN A 21 -13.541 -2.540 0.440 1.00 0.00 C ATOM 18 C ASN A 21 -12.194 -2.815 -0.215 1.00 0.00 C ATOM 19 O ASN A 21 -11.652 -1.963 -0.919 1.00 0.00 O ATOM 20 CB ASN A 21 -13.433 -1.336 1.388 1.00 0.00 C ATOM 21 CG ASN A 21 -12.663 -1.638 2.664 1.00 0.00 C ATOM 22 OD1 ASN A 21 -11.788 -2.504 2.695 1.00 0.00 O ATOM 23 ND2 ASN A 21 -12.981 -0.922 3.731 1.00 0.00 N ATOM 0 H ASN A 21 -13.558 -3.926 2.018 1.00 0.00 H new ATOM 0 HA ASN A 21 -14.254 -2.307 -0.351 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -12.945 -0.514 0.864 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -14.436 -0.998 1.649 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.496 -1.080 4.614 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -13.711 -0.212 3.670 1.00 0.00 H new ATOM 30 N VAL A 22 -11.649 -4.002 0.011 1.00 0.00 N ATOM 31 CA VAL A 22 -10.377 -4.363 -0.590 1.00 0.00 C ATOM 32 C VAL A 22 -10.598 -5.074 -1.921 1.00 0.00 C ATOM 33 O VAL A 22 -10.885 -6.270 -1.980 1.00 0.00 O ATOM 34 CB VAL A 22 -9.494 -5.223 0.351 1.00 0.00 C ATOM 35 CG1 VAL A 22 -9.147 -4.446 1.609 1.00 0.00 C ATOM 36 CG2 VAL A 22 -10.164 -6.540 0.712 1.00 0.00 C ATOM 0 H VAL A 22 -12.064 -4.724 0.600 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.834 -3.435 -0.768 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.576 -5.458 -0.188 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -8.527 -5.064 2.259 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -8.601 -3.542 1.339 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -10.063 -4.174 2.133 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -9.511 -7.111 1.372 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.108 -6.341 1.219 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -10.353 -7.113 -0.196 1.00 0.00 H new ATOM 46 N LEU A 23 -10.531 -4.311 -2.994 1.00 0.00 N ATOM 47 CA LEU A 23 -10.619 -4.882 -4.322 1.00 0.00 C ATOM 48 C LEU A 23 -9.222 -5.035 -4.908 1.00 0.00 C ATOM 49 O LEU A 23 -8.621 -4.055 -5.349 1.00 0.00 O ATOM 50 CB LEU A 23 -11.481 -3.996 -5.224 1.00 0.00 C ATOM 51 CG LEU A 23 -12.925 -3.802 -4.754 1.00 0.00 C ATOM 52 CD1 LEU A 23 -13.659 -2.850 -5.679 1.00 0.00 C ATOM 53 CD2 LEU A 23 -13.653 -5.137 -4.685 1.00 0.00 C ATOM 0 H LEU A 23 -10.416 -3.298 -2.972 1.00 0.00 H new ATOM 0 HA LEU A 23 -11.086 -5.865 -4.257 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.007 -3.018 -5.306 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -11.496 -4.428 -6.225 1.00 0.00 H new ATOM 0 HG LEU A 23 -12.903 -3.370 -3.753 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -14.684 -2.723 -5.331 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -13.154 -1.884 -5.682 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -13.667 -3.258 -6.690 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -14.677 -4.976 -4.349 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -13.663 -5.597 -5.673 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -13.140 -5.795 -3.984 1.00 0.00 H new ATOM 65 N PRO A 24 -8.686 -6.267 -4.906 1.00 0.00 N ATOM 66 CA PRO A 24 -7.382 -6.574 -5.508 1.00 0.00 C ATOM 67 C PRO A 24 -7.382 -6.333 -7.016 1.00 0.00 C ATOM 68 O PRO A 24 -7.648 -7.239 -7.810 1.00 0.00 O ATOM 69 CB PRO A 24 -7.187 -8.064 -5.189 1.00 0.00 C ATOM 70 CG PRO A 24 -8.089 -8.327 -4.040 1.00 0.00 C ATOM 71 CD PRO A 24 -9.281 -7.453 -4.271 1.00 0.00 C ATOM 0 HA PRO A 24 -6.584 -5.941 -5.120 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -7.444 -8.689 -6.045 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.150 -8.282 -4.935 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.374 -9.378 -3.995 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -7.602 -8.088 -3.094 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -10.017 -7.933 -4.916 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.788 -7.203 -3.339 1.00 0.00 H new ATOM 79 N ARG A 25 -7.099 -5.095 -7.400 1.00 0.00 N ATOM 80 CA ARG A 25 -7.136 -4.692 -8.797 1.00 0.00 C ATOM 81 C ARG A 25 -5.832 -4.026 -9.202 1.00 0.00 C ATOM 82 O ARG A 25 -5.047 -3.623 -8.354 1.00 0.00 O ATOM 83 CB ARG A 25 -8.307 -3.740 -9.042 1.00 0.00 C ATOM 84 CG ARG A 25 -9.663 -4.400 -8.895 1.00 0.00 C ATOM 85 CD ARG A 25 -10.792 -3.415 -9.138 1.00 0.00 C ATOM 86 NE ARG A 25 -12.094 -4.076 -9.152 1.00 0.00 N ATOM 87 CZ ARG A 25 -13.248 -3.444 -9.362 1.00 0.00 C ATOM 88 NH1 ARG A 25 -13.277 -2.124 -9.491 1.00 0.00 N ATOM 89 NH2 ARG A 25 -14.382 -4.129 -9.409 1.00 0.00 N ATOM 0 H ARG A 25 -6.839 -4.348 -6.756 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.270 -5.586 -9.406 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -8.240 -2.906 -8.343 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -8.222 -3.322 -10.045 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -9.744 -5.228 -9.599 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -9.756 -4.822 -7.894 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -10.781 -2.650 -8.361 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -10.632 -2.906 -10.089 1.00 0.00 H new ATOM 0 HE ARG A 25 -12.122 -5.083 -8.991 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -12.412 -1.586 -9.430 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -14.164 -1.647 -9.652 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -14.372 -5.141 -9.284 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -15.265 -3.644 -9.570 1.00 0.00 H new ATOM 103 N GLU A 26 -5.619 -3.889 -10.499 1.00 0.00 N ATOM 104 CA GLU A 26 -4.364 -3.352 -11.017 1.00 0.00 C ATOM 105 C GLU A 26 -4.237 -1.823 -10.868 1.00 0.00 C ATOM 106 O GLU A 26 -3.160 -1.344 -10.511 1.00 0.00 O ATOM 107 CB GLU A 26 -4.183 -3.764 -12.474 1.00 0.00 C ATOM 108 CG GLU A 26 -4.111 -5.269 -12.645 1.00 0.00 C ATOM 109 CD GLU A 26 -3.947 -5.691 -14.084 1.00 0.00 C ATOM 110 OE1 GLU A 26 -4.943 -6.125 -14.697 1.00 0.00 O ATOM 111 OE2 GLU A 26 -2.824 -5.570 -14.617 1.00 0.00 O ATOM 0 H GLU A 26 -6.298 -4.142 -11.217 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.568 -3.780 -10.408 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.012 -3.373 -13.065 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -3.271 -3.313 -12.866 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.276 -5.656 -12.061 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.018 -5.719 -12.241 1.00 0.00 H new ATOM 118 N PRO A 27 -5.303 -1.025 -11.135 1.00 0.00 N ATOM 119 CA PRO A 27 -5.246 0.442 -11.027 1.00 0.00 C ATOM 120 C PRO A 27 -4.625 0.935 -9.715 1.00 0.00 C ATOM 121 O PRO A 27 -3.795 1.849 -9.716 1.00 0.00 O ATOM 122 CB PRO A 27 -6.718 0.882 -11.110 1.00 0.00 C ATOM 123 CG PRO A 27 -7.521 -0.372 -11.073 1.00 0.00 C ATOM 124 CD PRO A 27 -6.629 -1.455 -11.596 1.00 0.00 C ATOM 0 HA PRO A 27 -4.612 0.860 -11.809 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -6.978 1.537 -10.278 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -6.908 1.441 -12.027 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.849 -0.594 -10.058 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.418 -0.278 -11.684 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.900 -2.432 -11.197 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.676 -1.530 -12.682 1.00 0.00 H new ATOM 132 N LEU A 28 -5.007 0.327 -8.597 1.00 0.00 N ATOM 133 CA LEU A 28 -4.492 0.757 -7.303 1.00 0.00 C ATOM 134 C LEU A 28 -3.067 0.258 -7.073 1.00 0.00 C ATOM 135 O LEU A 28 -2.304 0.879 -6.338 1.00 0.00 O ATOM 136 CB LEU A 28 -5.434 0.346 -6.159 1.00 0.00 C ATOM 137 CG LEU A 28 -5.958 -1.096 -6.177 1.00 0.00 C ATOM 138 CD1 LEU A 28 -4.872 -2.084 -5.799 1.00 0.00 C ATOM 139 CD2 LEU A 28 -7.136 -1.235 -5.230 1.00 0.00 C ATOM 0 H LEU A 28 -5.662 -0.454 -8.560 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.452 1.846 -7.311 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.912 0.506 -5.216 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.291 1.019 -6.167 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.281 -1.322 -7.193 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.277 -3.096 -5.822 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.047 -2.007 -6.508 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.510 -1.860 -4.795 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.500 -2.262 -5.251 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.821 -0.982 -4.218 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.934 -0.561 -5.541 1.00 0.00 H new ATOM 151 N ILE A 29 -2.704 -0.849 -7.720 1.00 0.00 N ATOM 152 CA ILE A 29 -1.332 -1.341 -7.673 1.00 0.00 C ATOM 153 C ILE A 29 -0.416 -0.348 -8.368 1.00 0.00 C ATOM 154 O ILE A 29 0.609 0.057 -7.822 1.00 0.00 O ATOM 155 CB ILE A 29 -1.182 -2.719 -8.358 1.00 0.00 C ATOM 156 CG1 ILE A 29 -2.063 -3.760 -7.675 1.00 0.00 C ATOM 157 CG2 ILE A 29 0.272 -3.169 -8.341 1.00 0.00 C ATOM 158 CD1 ILE A 29 -2.067 -5.099 -8.382 1.00 0.00 C ATOM 0 H ILE A 29 -3.339 -1.418 -8.280 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.061 -1.453 -6.623 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.504 -2.619 -9.394 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.720 -3.899 -6.650 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.084 -3.382 -7.621 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.358 -4.141 -8.827 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.884 -2.441 -8.873 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.616 -3.248 -7.310 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.713 -5.793 -7.844 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.438 -4.972 -9.399 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.053 -5.497 -8.413 1.00 0.00 H new ATOM 170 N ALA A 30 -0.813 0.058 -9.570 1.00 0.00 N ATOM 171 CA ALA A 30 -0.063 1.042 -10.340 1.00 0.00 C ATOM 172 C ALA A 30 0.071 2.342 -9.558 1.00 0.00 C ATOM 173 O ALA A 30 1.131 2.972 -9.552 1.00 0.00 O ATOM 174 CB ALA A 30 -0.741 1.292 -11.680 1.00 0.00 C ATOM 0 H ALA A 30 -1.655 -0.282 -10.033 1.00 0.00 H new ATOM 0 HA ALA A 30 0.937 0.649 -10.525 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.170 2.029 -12.245 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.788 0.360 -12.243 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.751 1.666 -11.513 1.00 0.00 H new ATOM 180 N THR A 31 -1.008 2.722 -8.882 1.00 0.00 N ATOM 181 CA THR A 31 -1.006 3.912 -8.048 1.00 0.00 C ATOM 182 C THR A 31 -0.039 3.745 -6.873 1.00 0.00 C ATOM 183 O THR A 31 0.692 4.669 -6.525 1.00 0.00 O ATOM 184 CB THR A 31 -2.418 4.232 -7.518 1.00 0.00 C ATOM 185 OG1 THR A 31 -3.351 4.310 -8.610 1.00 0.00 O ATOM 186 CG2 THR A 31 -2.422 5.549 -6.755 1.00 0.00 C ATOM 0 H THR A 31 -1.896 2.220 -8.897 1.00 0.00 H new ATOM 0 HA THR A 31 -0.676 4.745 -8.669 1.00 0.00 H new ATOM 0 HB THR A 31 -2.716 3.431 -6.841 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.563 3.406 -8.925 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.428 5.755 -6.390 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.736 5.482 -5.910 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.104 6.354 -7.417 1.00 0.00 H new ATOM 194 N ALA A 32 -0.029 2.552 -6.283 1.00 0.00 N ATOM 195 CA ALA A 32 0.847 2.257 -5.153 1.00 0.00 C ATOM 196 C ALA A 32 2.315 2.261 -5.575 1.00 0.00 C ATOM 197 O ALA A 32 3.175 2.739 -4.841 1.00 0.00 O ATOM 198 CB ALA A 32 0.482 0.915 -4.530 1.00 0.00 C ATOM 0 H ALA A 32 -0.620 1.772 -6.570 1.00 0.00 H new ATOM 0 HA ALA A 32 0.706 3.041 -4.409 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.145 0.712 -3.689 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -0.550 0.945 -4.179 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.589 0.127 -5.275 1.00 0.00 H new ATOM 204 N VAL A 33 2.597 1.728 -6.758 1.00 0.00 N ATOM 205 CA VAL A 33 3.963 1.678 -7.262 1.00 0.00 C ATOM 206 C VAL A 33 4.526 3.087 -7.451 1.00 0.00 C ATOM 207 O VAL A 33 5.626 3.384 -6.976 1.00 0.00 O ATOM 208 CB VAL A 33 4.058 0.892 -8.588 1.00 0.00 C ATOM 209 CG1 VAL A 33 5.469 0.947 -9.156 1.00 0.00 C ATOM 210 CG2 VAL A 33 3.634 -0.552 -8.377 1.00 0.00 C ATOM 0 H VAL A 33 1.900 1.326 -7.384 1.00 0.00 H new ATOM 0 HA VAL A 33 4.559 1.154 -6.515 1.00 0.00 H new ATOM 0 HB VAL A 33 3.383 1.358 -9.306 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.508 0.386 -10.089 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.745 1.984 -9.345 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.166 0.510 -8.441 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.706 -1.094 -9.320 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.287 -1.019 -7.639 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.605 -0.580 -8.020 1.00 0.00 H new ATOM 220 N LYS A 34 3.767 3.959 -8.118 1.00 0.00 N ATOM 221 CA LYS A 34 4.215 5.334 -8.328 1.00 0.00 C ATOM 222 C LYS A 34 4.252 6.074 -7.000 1.00 0.00 C ATOM 223 O LYS A 34 5.091 6.943 -6.788 1.00 0.00 O ATOM 224 CB LYS A 34 3.339 6.068 -9.373 1.00 0.00 C ATOM 225 CG LYS A 34 1.948 6.505 -8.909 1.00 0.00 C ATOM 226 CD LYS A 34 2.009 7.736 -8.012 1.00 0.00 C ATOM 227 CE LYS A 34 0.678 8.447 -7.917 1.00 0.00 C ATOM 228 NZ LYS A 34 0.373 9.228 -9.141 1.00 0.00 N ATOM 0 H LYS A 34 2.853 3.741 -8.516 1.00 0.00 H new ATOM 0 HA LYS A 34 5.226 5.311 -8.736 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.880 6.952 -9.711 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.221 5.416 -10.238 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.326 6.720 -9.778 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.471 5.686 -8.370 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.331 7.439 -7.014 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.760 8.426 -8.397 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.112 7.715 -7.748 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.684 9.114 -7.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.109 10.111 -8.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.258 9.451 -9.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.244 8.669 -9.764 1.00 0.00 H new ATOM 242 N PHE A 35 3.335 5.714 -6.110 1.00 0.00 N ATOM 243 CA PHE A 35 3.276 6.293 -4.781 1.00 0.00 C ATOM 244 C PHE A 35 4.586 6.042 -4.042 1.00 0.00 C ATOM 245 O PHE A 35 5.235 6.969 -3.556 1.00 0.00 O ATOM 246 CB PHE A 35 2.108 5.683 -4.012 1.00 0.00 C ATOM 247 CG PHE A 35 1.994 6.191 -2.618 1.00 0.00 C ATOM 248 CD1 PHE A 35 1.512 7.457 -2.376 1.00 0.00 C ATOM 249 CD2 PHE A 35 2.376 5.400 -1.554 1.00 0.00 C ATOM 250 CE1 PHE A 35 1.405 7.933 -1.095 1.00 0.00 C ATOM 251 CE2 PHE A 35 2.275 5.867 -0.264 1.00 0.00 C ATOM 252 CZ PHE A 35 1.791 7.138 -0.032 1.00 0.00 C ATOM 0 H PHE A 35 2.615 5.015 -6.292 1.00 0.00 H new ATOM 0 HA PHE A 35 3.126 7.370 -4.862 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.181 5.893 -4.545 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.223 4.599 -3.989 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.215 8.083 -3.205 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.757 4.406 -1.735 1.00 0.00 H new ATOM 0 HE1 PHE A 35 1.020 8.926 -0.917 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.573 5.241 0.564 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.714 7.511 0.979 1.00 0.00 H new ATOM 262 N LEU A 36 4.973 4.776 -3.996 1.00 0.00 N ATOM 263 CA LEU A 36 6.178 4.340 -3.301 1.00 0.00 C ATOM 264 C LEU A 36 7.435 5.018 -3.841 1.00 0.00 C ATOM 265 O LEU A 36 8.241 5.553 -3.074 1.00 0.00 O ATOM 266 CB LEU A 36 6.318 2.819 -3.422 1.00 0.00 C ATOM 267 CG LEU A 36 5.728 1.999 -2.271 1.00 0.00 C ATOM 268 CD1 LEU A 36 6.602 2.124 -1.040 1.00 0.00 C ATOM 269 CD2 LEU A 36 4.303 2.431 -1.950 1.00 0.00 C ATOM 0 H LEU A 36 4.458 4.017 -4.442 1.00 0.00 H new ATOM 0 HA LEU A 36 6.077 4.627 -2.254 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.841 2.502 -4.350 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.377 2.577 -3.509 1.00 0.00 H new ATOM 0 HG LEU A 36 5.697 0.956 -2.585 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.173 1.537 -0.228 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.603 1.755 -1.265 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.660 3.170 -0.740 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.916 1.828 -1.129 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.298 3.482 -1.662 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.674 2.292 -2.829 1.00 0.00 H new ATOM 281 N GLN A 37 7.593 5.011 -5.154 1.00 0.00 N ATOM 282 CA GLN A 37 8.824 5.485 -5.774 1.00 0.00 C ATOM 283 C GLN A 37 8.745 6.964 -6.136 1.00 0.00 C ATOM 284 O GLN A 37 9.655 7.498 -6.771 1.00 0.00 O ATOM 285 CB GLN A 37 9.129 4.666 -7.028 1.00 0.00 C ATOM 286 CG GLN A 37 9.246 3.177 -6.763 1.00 0.00 C ATOM 287 CD GLN A 37 9.492 2.380 -8.027 1.00 0.00 C ATOM 288 OE1 GLN A 37 9.001 1.155 -8.049 1.00 0.00 O flip ATOM 289 NE2 GLN A 37 10.118 2.860 -8.973 1.00 0.00 N flip ATOM 0 H GLN A 37 6.886 4.683 -5.813 1.00 0.00 H new ATOM 0 HA GLN A 37 9.626 5.360 -5.046 1.00 0.00 H new ATOM 0 HB2 GLN A 37 8.343 4.836 -7.764 1.00 0.00 H new ATOM 0 HB3 GLN A 37 10.060 5.023 -7.468 1.00 0.00 H new ATOM 0 HG2 GLN A 37 10.061 2.999 -6.061 1.00 0.00 H new ATOM 0 HG3 GLN A 37 8.332 2.823 -6.287 1.00 0.00 H new ATOM 0 HE21 GLN A 37 10.480 3.812 -8.914 1.00 0.00 H new ATOM 0 HE22 GLN A 37 10.274 2.306 -9.815 1.00 0.00 H new ATOM 298 N ASN A 38 7.670 7.625 -5.723 1.00 0.00 N ATOM 299 CA ASN A 38 7.468 9.030 -6.057 1.00 0.00 C ATOM 300 C ASN A 38 8.596 9.885 -5.499 1.00 0.00 C ATOM 301 O ASN A 38 9.142 10.738 -6.199 1.00 0.00 O ATOM 302 CB ASN A 38 6.127 9.539 -5.519 1.00 0.00 C ATOM 303 CG ASN A 38 5.723 10.872 -6.130 1.00 0.00 C ATOM 304 OD1 ASN A 38 5.033 10.917 -7.151 1.00 0.00 O ATOM 305 ND2 ASN A 38 6.148 11.968 -5.517 1.00 0.00 N ATOM 0 H ASN A 38 6.927 7.213 -5.158 1.00 0.00 H new ATOM 0 HA ASN A 38 7.463 9.110 -7.144 1.00 0.00 H new ATOM 0 HB2 ASN A 38 5.353 8.800 -5.724 1.00 0.00 H new ATOM 0 HB3 ASN A 38 6.190 9.643 -4.436 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.906 12.887 -5.888 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.717 11.893 -4.674 1.00 0.00 H new ATOM 312 N SER A 39 8.957 9.651 -4.239 1.00 0.00 N ATOM 313 CA SER A 39 9.978 10.462 -3.590 1.00 0.00 C ATOM 314 C SER A 39 10.631 9.710 -2.434 1.00 0.00 C ATOM 315 O SER A 39 11.807 9.358 -2.495 1.00 0.00 O ATOM 316 CB SER A 39 9.377 11.777 -3.074 1.00 0.00 C ATOM 317 OG SER A 39 8.639 12.441 -4.086 1.00 0.00 O ATOM 0 H SER A 39 8.561 8.914 -3.655 1.00 0.00 H new ATOM 0 HA SER A 39 10.742 10.684 -4.335 1.00 0.00 H new ATOM 0 HB2 SER A 39 8.728 11.573 -2.223 1.00 0.00 H new ATOM 0 HB3 SER A 39 10.175 12.428 -2.717 1.00 0.00 H new ATOM 0 HG SER A 39 7.986 13.043 -3.673 1.00 0.00 H new ATOM 323 N ARG A 40 9.864 9.450 -1.383 1.00 0.00 N ATOM 324 CA ARG A 40 10.440 8.917 -0.157 1.00 0.00 C ATOM 325 C ARG A 40 9.665 7.725 0.395 1.00 0.00 C ATOM 326 O ARG A 40 10.129 7.081 1.327 1.00 0.00 O ATOM 327 CB ARG A 40 10.531 10.017 0.906 1.00 0.00 C ATOM 328 CG ARG A 40 9.185 10.571 1.350 1.00 0.00 C ATOM 329 CD ARG A 40 9.358 11.743 2.303 1.00 0.00 C ATOM 330 NE ARG A 40 10.143 12.821 1.705 1.00 0.00 N ATOM 331 CZ ARG A 40 9.963 14.113 1.971 1.00 0.00 C ATOM 332 NH1 ARG A 40 9.061 14.497 2.862 1.00 0.00 N ATOM 333 NH2 ARG A 40 10.696 15.021 1.354 1.00 0.00 N ATOM 0 H ARG A 40 8.855 9.597 -1.354 1.00 0.00 H new ATOM 0 HA ARG A 40 11.438 8.559 -0.409 1.00 0.00 H new ATOM 0 HB2 ARG A 40 11.053 9.622 1.777 1.00 0.00 H new ATOM 0 HB3 ARG A 40 11.136 10.835 0.515 1.00 0.00 H new ATOM 0 HG2 ARG A 40 8.615 10.890 0.478 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.609 9.785 1.838 1.00 0.00 H new ATOM 0 HD2 ARG A 40 8.378 12.124 2.591 1.00 0.00 H new ATOM 0 HD3 ARG A 40 9.847 11.400 3.215 1.00 0.00 H new ATOM 0 HE ARG A 40 10.875 12.567 1.042 1.00 0.00 H new ATOM 0 HH11 ARG A 40 8.498 13.801 3.350 1.00 0.00 H new ATOM 0 HH12 ARG A 40 8.930 15.489 3.060 1.00 0.00 H new ATOM 0 HH21 ARG A 40 11.400 14.732 0.674 1.00 0.00 H new ATOM 0 HH22 ARG A 40 10.559 16.011 1.557 1.00 0.00 H new ATOM 347 N VAL A 41 8.495 7.431 -0.171 1.00 0.00 N ATOM 348 CA VAL A 41 7.612 6.401 0.391 1.00 0.00 C ATOM 349 C VAL A 41 8.299 5.041 0.493 1.00 0.00 C ATOM 350 O VAL A 41 8.128 4.326 1.483 1.00 0.00 O ATOM 351 CB VAL A 41 6.317 6.237 -0.423 1.00 0.00 C ATOM 352 CG1 VAL A 41 5.435 5.171 0.201 1.00 0.00 C ATOM 353 CG2 VAL A 41 5.567 7.550 -0.510 1.00 0.00 C ATOM 0 H VAL A 41 8.136 7.885 -1.011 1.00 0.00 H new ATOM 0 HA VAL A 41 7.364 6.752 1.393 1.00 0.00 H new ATOM 0 HB VAL A 41 6.585 5.927 -1.433 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.522 5.065 -0.385 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.968 4.221 0.216 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.180 5.461 1.220 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.655 7.410 -1.090 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.310 7.890 0.493 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.195 8.296 -0.996 1.00 0.00 H new ATOM 363 N ARG A 42 9.080 4.682 -0.517 1.00 0.00 N ATOM 364 CA ARG A 42 9.769 3.398 -0.509 1.00 0.00 C ATOM 365 C ARG A 42 10.812 3.362 0.608 1.00 0.00 C ATOM 366 O ARG A 42 11.209 2.291 1.066 1.00 0.00 O ATOM 367 CB ARG A 42 10.419 3.119 -1.869 1.00 0.00 C ATOM 368 CG ARG A 42 10.848 1.670 -2.048 1.00 0.00 C ATOM 369 CD ARG A 42 11.365 1.397 -3.452 1.00 0.00 C ATOM 370 NE ARG A 42 12.649 2.048 -3.706 1.00 0.00 N ATOM 371 CZ ARG A 42 13.498 1.677 -4.665 1.00 0.00 C ATOM 372 NH1 ARG A 42 13.195 0.677 -5.482 1.00 0.00 N ATOM 373 NH2 ARG A 42 14.654 2.308 -4.795 1.00 0.00 N ATOM 0 H ARG A 42 9.251 5.254 -1.344 1.00 0.00 H new ATOM 0 HA ARG A 42 9.035 2.615 -0.321 1.00 0.00 H new ATOM 0 HB2 ARG A 42 9.717 3.383 -2.660 1.00 0.00 H new ATOM 0 HB3 ARG A 42 11.289 3.765 -1.987 1.00 0.00 H new ATOM 0 HG2 ARG A 42 11.625 1.430 -1.323 1.00 0.00 H new ATOM 0 HG3 ARG A 42 10.003 1.014 -1.839 1.00 0.00 H new ATOM 0 HD2 ARG A 42 11.471 0.322 -3.595 1.00 0.00 H new ATOM 0 HD3 ARG A 42 10.633 1.745 -4.181 1.00 0.00 H new ATOM 0 HE ARG A 42 12.912 2.835 -3.113 1.00 0.00 H new ATOM 0 HH11 ARG A 42 12.307 0.186 -5.379 1.00 0.00 H new ATOM 0 HH12 ARG A 42 13.850 0.399 -6.213 1.00 0.00 H new ATOM 0 HH21 ARG A 42 14.891 3.073 -4.164 1.00 0.00 H new ATOM 0 HH22 ARG A 42 15.308 2.029 -5.526 1.00 0.00 H new ATOM 387 N GLN A 43 11.226 4.543 1.063 1.00 0.00 N ATOM 388 CA GLN A 43 12.160 4.655 2.181 1.00 0.00 C ATOM 389 C GLN A 43 11.405 4.921 3.485 1.00 0.00 C ATOM 390 O GLN A 43 11.998 4.960 4.561 1.00 0.00 O ATOM 391 CB GLN A 43 13.171 5.789 1.956 1.00 0.00 C ATOM 392 CG GLN A 43 13.933 5.715 0.641 1.00 0.00 C ATOM 393 CD GLN A 43 13.208 6.411 -0.498 1.00 0.00 C ATOM 394 OE1 GLN A 43 12.404 5.804 -1.206 1.00 0.00 O ATOM 395 NE2 GLN A 43 13.499 7.689 -0.692 1.00 0.00 N ATOM 0 H GLN A 43 10.928 5.438 0.674 1.00 0.00 H new ATOM 0 HA GLN A 43 12.697 3.709 2.248 1.00 0.00 H new ATOM 0 HB2 GLN A 43 12.643 6.741 2.000 1.00 0.00 H new ATOM 0 HB3 GLN A 43 13.889 5.784 2.776 1.00 0.00 H new ATOM 0 HG2 GLN A 43 14.916 6.167 0.770 1.00 0.00 H new ATOM 0 HG3 GLN A 43 14.095 4.670 0.378 1.00 0.00 H new ATOM 0 HE21 GLN A 43 14.171 8.157 -0.084 1.00 0.00 H new ATOM 0 HE22 GLN A 43 13.051 8.205 -1.450 1.00 0.00 H new ATOM 404 N SER A 44 10.096 5.115 3.379 1.00 0.00 N ATOM 405 CA SER A 44 9.269 5.448 4.532 1.00 0.00 C ATOM 406 C SER A 44 8.873 4.188 5.306 1.00 0.00 C ATOM 407 O SER A 44 8.864 3.086 4.748 1.00 0.00 O ATOM 408 CB SER A 44 8.017 6.204 4.074 1.00 0.00 C ATOM 409 OG SER A 44 8.363 7.383 3.365 1.00 0.00 O ATOM 0 H SER A 44 9.582 5.047 2.501 1.00 0.00 H new ATOM 0 HA SER A 44 9.849 6.085 5.199 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.411 5.558 3.438 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.407 6.462 4.940 1.00 0.00 H new ATOM 0 HG SER A 44 9.106 7.192 2.755 1.00 0.00 H new ATOM 415 N PRO A 45 8.547 4.350 6.604 1.00 0.00 N ATOM 416 CA PRO A 45 8.145 3.249 7.489 1.00 0.00 C ATOM 417 C PRO A 45 7.129 2.296 6.860 1.00 0.00 C ATOM 418 O PRO A 45 6.058 2.706 6.386 1.00 0.00 O ATOM 419 CB PRO A 45 7.522 3.978 8.677 1.00 0.00 C ATOM 420 CG PRO A 45 8.260 5.266 8.746 1.00 0.00 C ATOM 421 CD PRO A 45 8.566 5.643 7.323 1.00 0.00 C ATOM 0 HA PRO A 45 8.992 2.610 7.739 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.454 4.139 8.529 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.634 3.406 9.598 1.00 0.00 H new ATOM 0 HG2 PRO A 45 7.660 6.034 9.233 1.00 0.00 H new ATOM 0 HG3 PRO A 45 9.176 5.161 9.328 1.00 0.00 H new ATOM 0 HD2 PRO A 45 7.824 6.334 6.924 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.536 6.134 7.239 1.00 0.00 H new ATOM 429 N LEU A 46 7.473 1.016 6.876 1.00 0.00 N ATOM 430 CA LEU A 46 6.614 -0.018 6.328 1.00 0.00 C ATOM 431 C LEU A 46 5.342 -0.147 7.151 1.00 0.00 C ATOM 432 O LEU A 46 4.316 -0.603 6.648 1.00 0.00 O ATOM 433 CB LEU A 46 7.340 -1.369 6.264 1.00 0.00 C ATOM 434 CG LEU A 46 8.520 -1.439 5.288 1.00 0.00 C ATOM 435 CD1 LEU A 46 9.759 -0.760 5.857 1.00 0.00 C ATOM 436 CD2 LEU A 46 8.822 -2.884 4.926 1.00 0.00 C ATOM 0 H LEU A 46 8.349 0.669 7.267 1.00 0.00 H new ATOM 0 HA LEU A 46 6.350 0.275 5.312 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.702 -1.615 7.262 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.617 -2.137 5.989 1.00 0.00 H new ATOM 0 HG LEU A 46 8.236 -0.901 4.384 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.575 -0.830 5.137 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.540 0.289 6.057 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.050 -1.253 6.785 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.662 -2.917 4.232 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.075 -3.440 5.829 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.946 -3.332 4.457 1.00 0.00 H new ATOM 448 N ALA A 47 5.414 0.265 8.412 1.00 0.00 N ATOM 449 CA ALA A 47 4.251 0.271 9.289 1.00 0.00 C ATOM 450 C ALA A 47 3.130 1.116 8.691 1.00 0.00 C ATOM 451 O ALA A 47 1.970 0.700 8.678 1.00 0.00 O ATOM 452 CB ALA A 47 4.630 0.786 10.669 1.00 0.00 C ATOM 0 H ALA A 47 6.271 0.601 8.851 1.00 0.00 H new ATOM 0 HA ALA A 47 3.890 -0.753 9.389 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.750 0.784 11.312 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.396 0.141 11.100 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.016 1.802 10.585 1.00 0.00 H new ATOM 458 N THR A 48 3.486 2.292 8.183 1.00 0.00 N ATOM 459 CA THR A 48 2.526 3.155 7.512 1.00 0.00 C ATOM 460 C THR A 48 2.011 2.488 6.246 1.00 0.00 C ATOM 461 O THR A 48 0.808 2.375 6.041 1.00 0.00 O ATOM 462 CB THR A 48 3.144 4.517 7.139 1.00 0.00 C ATOM 463 OG1 THR A 48 3.627 5.175 8.320 1.00 0.00 O ATOM 464 CG2 THR A 48 2.118 5.404 6.430 1.00 0.00 C ATOM 0 H THR A 48 4.434 2.667 8.224 1.00 0.00 H new ATOM 0 HA THR A 48 1.705 3.323 8.209 1.00 0.00 H new ATOM 0 HB THR A 48 3.977 4.342 6.458 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.020 6.039 8.076 1.00 0.00 H new ATOM 0 HG21 THR A 48 2.577 6.360 6.176 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.779 4.911 5.519 1.00 0.00 H new ATOM 0 HG23 THR A 48 1.267 5.574 7.089 1.00 0.00 H new ATOM 472 N ARG A 49 2.940 2.014 5.424 1.00 0.00 N ATOM 473 CA ARG A 49 2.604 1.500 4.100 1.00 0.00 C ATOM 474 C ARG A 49 1.742 0.239 4.171 1.00 0.00 C ATOM 475 O ARG A 49 0.918 -0.006 3.291 1.00 0.00 O ATOM 476 CB ARG A 49 3.877 1.221 3.305 1.00 0.00 C ATOM 477 CG ARG A 49 4.882 2.354 3.357 1.00 0.00 C ATOM 478 CD ARG A 49 5.999 2.158 2.347 1.00 0.00 C ATOM 479 NE ARG A 49 6.630 0.840 2.443 1.00 0.00 N ATOM 480 CZ ARG A 49 7.945 0.644 2.340 1.00 0.00 C ATOM 481 NH1 ARG A 49 8.761 1.682 2.261 1.00 0.00 N ATOM 482 NH2 ARG A 49 8.443 -0.587 2.335 1.00 0.00 N ATOM 0 H ARG A 49 3.934 1.975 5.651 1.00 0.00 H new ATOM 0 HA ARG A 49 2.018 2.267 3.593 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.344 0.314 3.688 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.612 1.028 2.265 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.376 3.299 3.161 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.305 2.420 4.359 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.600 2.292 1.341 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.755 2.929 2.495 1.00 0.00 H new ATOM 0 HE ARG A 49 6.032 0.028 2.597 1.00 0.00 H new ATOM 0 HH11 ARG A 49 8.384 2.630 2.279 1.00 0.00 H new ATOM 0 HH12 ARG A 49 9.767 1.535 2.182 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.819 -1.390 2.410 1.00 0.00 H new ATOM 0 HH22 ARG A 49 9.450 -0.729 2.256 1.00 0.00 H new ATOM 496 N ARG A 50 1.933 -0.556 5.214 1.00 0.00 N ATOM 497 CA ARG A 50 1.163 -1.785 5.390 1.00 0.00 C ATOM 498 C ARG A 50 -0.307 -1.478 5.641 1.00 0.00 C ATOM 499 O ARG A 50 -1.187 -2.001 4.951 1.00 0.00 O ATOM 500 CB ARG A 50 1.745 -2.616 6.531 1.00 0.00 C ATOM 501 CG ARG A 50 2.609 -3.774 6.058 1.00 0.00 C ATOM 502 CD ARG A 50 3.787 -3.993 6.987 1.00 0.00 C ATOM 503 NE ARG A 50 4.341 -5.343 6.877 1.00 0.00 N ATOM 504 CZ ARG A 50 4.221 -6.276 7.828 1.00 0.00 C ATOM 505 NH1 ARG A 50 3.529 -6.025 8.935 1.00 0.00 N ATOM 506 NH2 ARG A 50 4.784 -7.465 7.672 1.00 0.00 N ATOM 0 H ARG A 50 2.613 -0.375 5.952 1.00 0.00 H new ATOM 0 HA ARG A 50 1.230 -2.365 4.469 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.340 -1.968 7.175 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.929 -3.007 7.139 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.009 -4.682 6.007 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.970 -3.574 5.049 1.00 0.00 H new ATOM 0 HD2 ARG A 50 4.565 -3.264 6.760 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.473 -3.815 8.015 1.00 0.00 H new ATOM 0 HE ARG A 50 4.848 -5.587 6.026 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.085 -5.116 9.064 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.442 -6.742 9.656 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.312 -7.672 6.824 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.690 -8.173 8.400 1.00 0.00 H new ATOM 520 N ALA A 51 -0.571 -0.621 6.620 1.00 0.00 N ATOM 521 CA ALA A 51 -1.931 -0.186 6.899 1.00 0.00 C ATOM 522 C ALA A 51 -2.485 0.584 5.708 1.00 0.00 C ATOM 523 O ALA A 51 -3.639 0.419 5.330 1.00 0.00 O ATOM 524 CB ALA A 51 -1.960 0.671 8.152 1.00 0.00 C ATOM 0 H ALA A 51 0.138 -0.215 7.231 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.558 -1.062 7.068 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.983 0.991 8.351 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.590 0.091 8.998 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.328 1.547 8.008 1.00 0.00 H new ATOM 530 N PHE A 52 -1.623 1.405 5.122 1.00 0.00 N ATOM 531 CA PHE A 52 -1.938 2.200 3.944 1.00 0.00 C ATOM 532 C PHE A 52 -2.523 1.339 2.834 1.00 0.00 C ATOM 533 O PHE A 52 -3.705 1.451 2.543 1.00 0.00 O ATOM 534 CB PHE A 52 -0.663 2.891 3.474 1.00 0.00 C ATOM 535 CG PHE A 52 -0.844 3.841 2.341 1.00 0.00 C ATOM 536 CD1 PHE A 52 -0.462 3.485 1.062 1.00 0.00 C ATOM 537 CD2 PHE A 52 -1.379 5.095 2.557 1.00 0.00 C ATOM 538 CE1 PHE A 52 -0.598 4.369 0.020 1.00 0.00 C ATOM 539 CE2 PHE A 52 -1.525 5.982 1.516 1.00 0.00 C ATOM 540 CZ PHE A 52 -1.134 5.618 0.245 1.00 0.00 C ATOM 0 H PHE A 52 -0.669 1.539 5.458 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.692 2.943 4.202 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.229 3.431 4.315 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.058 2.129 3.178 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.053 2.502 0.880 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.686 5.382 3.552 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.285 4.086 -0.974 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.945 6.961 1.694 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.248 6.312 -0.574 1.00 0.00 H new ATOM 550 N LEU A 53 -1.715 0.459 2.242 1.00 0.00 N ATOM 551 CA LEU A 53 -2.172 -0.340 1.103 1.00 0.00 C ATOM 552 C LEU A 53 -3.416 -1.156 1.449 1.00 0.00 C ATOM 553 O LEU A 53 -4.312 -1.304 0.619 1.00 0.00 O ATOM 554 CB LEU A 53 -1.064 -1.258 0.566 1.00 0.00 C ATOM 555 CG LEU A 53 -0.127 -0.621 -0.469 1.00 0.00 C ATOM 556 CD1 LEU A 53 0.764 0.432 0.167 1.00 0.00 C ATOM 557 CD2 LEU A 53 0.715 -1.684 -1.153 1.00 0.00 C ATOM 0 H LEU A 53 -0.752 0.282 2.527 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.436 0.366 0.315 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.465 -1.607 1.407 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.528 -2.137 0.119 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.746 -0.129 -1.219 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.416 0.864 -0.592 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.146 1.216 0.604 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.371 -0.028 0.947 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.373 -1.213 -1.883 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.315 -2.208 -0.409 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.062 -2.396 -1.659 1.00 0.00 H new ATOM 569 N LYS A 54 -3.495 -1.652 2.677 1.00 0.00 N ATOM 570 CA LYS A 54 -4.666 -2.411 3.103 1.00 0.00 C ATOM 571 C LYS A 54 -5.907 -1.516 3.157 1.00 0.00 C ATOM 572 O LYS A 54 -7.009 -1.947 2.820 1.00 0.00 O ATOM 573 CB LYS A 54 -4.421 -3.083 4.457 1.00 0.00 C ATOM 574 CG LYS A 54 -4.422 -4.602 4.381 1.00 0.00 C ATOM 575 CD LYS A 54 -3.300 -5.124 3.499 1.00 0.00 C ATOM 576 CE LYS A 54 -1.970 -5.114 4.231 1.00 0.00 C ATOM 577 NZ LYS A 54 -1.960 -6.083 5.358 1.00 0.00 N ATOM 0 H LYS A 54 -2.772 -1.545 3.389 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.845 -3.194 2.366 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.464 -2.746 4.855 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.189 -2.760 5.160 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.318 -5.016 5.384 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.380 -4.946 3.992 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.531 -6.139 3.176 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.227 -4.512 2.600 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.168 -5.357 3.534 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.770 -4.112 4.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.984 -6.395 5.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.342 -5.627 6.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.547 -6.906 5.113 1.00 0.00 H new ATOM 591 N LYS A 55 -5.718 -0.264 3.559 1.00 0.00 N ATOM 592 CA LYS A 55 -6.805 0.711 3.593 1.00 0.00 C ATOM 593 C LYS A 55 -7.121 1.236 2.199 1.00 0.00 C ATOM 594 O LYS A 55 -8.227 1.715 1.939 1.00 0.00 O ATOM 595 CB LYS A 55 -6.456 1.881 4.513 1.00 0.00 C ATOM 596 CG LYS A 55 -6.424 1.513 5.986 1.00 0.00 C ATOM 597 CD LYS A 55 -5.982 2.693 6.835 1.00 0.00 C ATOM 598 CE LYS A 55 -6.033 2.373 8.319 1.00 0.00 C ATOM 599 NZ LYS A 55 -7.420 2.120 8.786 1.00 0.00 N ATOM 0 H LYS A 55 -4.817 0.102 3.868 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.687 0.201 3.981 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.483 2.279 4.226 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.183 2.679 4.363 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.413 1.183 6.303 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.744 0.675 6.140 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.967 2.978 6.560 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.622 3.550 6.626 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.417 1.497 8.522 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.606 3.202 8.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.442 2.124 9.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.050 2.864 8.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.741 1.194 8.437 1.00 0.00 H new ATOM 613 N LYS A 56 -6.147 1.158 1.303 1.00 0.00 N ATOM 614 CA LYS A 56 -6.330 1.652 -0.050 1.00 0.00 C ATOM 615 C LYS A 56 -7.154 0.668 -0.871 1.00 0.00 C ATOM 616 O LYS A 56 -7.650 1.007 -1.943 1.00 0.00 O ATOM 617 CB LYS A 56 -4.988 1.912 -0.740 1.00 0.00 C ATOM 618 CG LYS A 56 -4.031 2.830 0.025 1.00 0.00 C ATOM 619 CD LYS A 56 -4.739 3.958 0.772 1.00 0.00 C ATOM 620 CE LYS A 56 -5.653 4.750 -0.137 1.00 0.00 C ATOM 621 NZ LYS A 56 -6.330 5.871 0.567 1.00 0.00 N ATOM 0 H LYS A 56 -5.227 0.759 1.489 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.866 2.599 0.017 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.493 0.956 -0.908 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.180 2.349 -1.720 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -3.460 2.235 0.738 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -3.316 3.261 -0.675 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -5.319 3.540 1.595 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.997 4.625 1.211 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.074 5.147 -0.971 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.405 4.084 -0.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.944 6.380 -0.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.905 5.494 1.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.616 6.524 0.948 1.00 0.00 H new ATOM 635 N GLY A 57 -7.299 -0.546 -0.357 1.00 0.00 N ATOM 636 CA GLY A 57 -8.127 -1.531 -1.018 1.00 0.00 C ATOM 637 C GLY A 57 -7.348 -2.735 -1.504 1.00 0.00 C ATOM 638 O GLY A 57 -7.788 -3.435 -2.410 1.00 0.00 O ATOM 0 H GLY A 57 -6.858 -0.865 0.506 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.905 -1.863 -0.330 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.629 -1.065 -1.866 1.00 0.00 H new ATOM 642 N LEU A 58 -6.194 -2.985 -0.904 1.00 0.00 N ATOM 643 CA LEU A 58 -5.392 -4.142 -1.267 1.00 0.00 C ATOM 644 C LEU A 58 -5.436 -5.192 -0.171 1.00 0.00 C ATOM 645 O LEU A 58 -5.421 -4.866 1.016 1.00 0.00 O ATOM 646 CB LEU A 58 -3.933 -3.753 -1.528 1.00 0.00 C ATOM 647 CG LEU A 58 -3.685 -2.901 -2.772 1.00 0.00 C ATOM 648 CD1 LEU A 58 -3.819 -1.417 -2.456 1.00 0.00 C ATOM 649 CD2 LEU A 58 -2.316 -3.211 -3.356 1.00 0.00 C ATOM 0 H LEU A 58 -5.794 -2.405 -0.167 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.817 -4.552 -2.183 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.560 -3.211 -0.659 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.343 -4.665 -1.612 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.443 -3.149 -3.515 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.637 -0.835 -3.359 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.825 -1.213 -2.089 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.091 -1.140 -1.693 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.151 -2.598 -4.242 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.547 -2.993 -2.615 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.268 -4.265 -3.630 1.00 0.00 H new ATOM 661 N THR A 59 -5.500 -6.449 -0.579 1.00 0.00 N ATOM 662 CA THR A 59 -5.384 -7.560 0.347 1.00 0.00 C ATOM 663 C THR A 59 -3.913 -7.877 0.593 1.00 0.00 C ATOM 664 O THR A 59 -3.044 -7.291 -0.055 1.00 0.00 O ATOM 665 CB THR A 59 -6.100 -8.814 -0.187 1.00 0.00 C ATOM 666 OG1 THR A 59 -5.884 -8.938 -1.601 1.00 0.00 O ATOM 667 CG2 THR A 59 -7.590 -8.758 0.100 1.00 0.00 C ATOM 0 H THR A 59 -5.633 -6.725 -1.552 1.00 0.00 H new ATOM 0 HA THR A 59 -5.861 -7.268 1.283 1.00 0.00 H new ATOM 0 HB THR A 59 -5.684 -9.683 0.323 1.00 0.00 H new ATOM 0 HG1 THR A 59 -6.341 -9.739 -1.933 1.00 0.00 H new ATOM 0 HG21 THR A 59 -8.069 -9.657 -0.288 1.00 0.00 H new ATOM 0 HG22 THR A 59 -7.751 -8.697 1.176 1.00 0.00 H new ATOM 0 HG23 THR A 59 -8.021 -7.880 -0.382 1.00 0.00 H new ATOM 675 N ASP A 60 -3.626 -8.788 1.509 1.00 0.00 N ATOM 676 CA ASP A 60 -2.243 -9.133 1.828 1.00 0.00 C ATOM 677 C ASP A 60 -1.498 -9.670 0.609 1.00 0.00 C ATOM 678 O ASP A 60 -0.347 -9.315 0.376 1.00 0.00 O ATOM 679 CB ASP A 60 -2.184 -10.133 2.979 1.00 0.00 C ATOM 680 CG ASP A 60 -1.955 -9.449 4.314 1.00 0.00 C ATOM 681 OD1 ASP A 60 -2.747 -8.546 4.676 1.00 0.00 O ATOM 682 OD2 ASP A 60 -0.984 -9.814 5.011 1.00 0.00 O ATOM 0 H ASP A 60 -4.326 -9.302 2.044 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.743 -8.216 2.141 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.115 -10.699 3.016 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.383 -10.849 2.796 1.00 0.00 H new ATOM 687 N GLU A 61 -2.160 -10.497 -0.184 1.00 0.00 N ATOM 688 CA GLU A 61 -1.549 -11.017 -1.403 1.00 0.00 C ATOM 689 C GLU A 61 -1.171 -9.872 -2.345 1.00 0.00 C ATOM 690 O GLU A 61 -0.100 -9.872 -2.955 1.00 0.00 O ATOM 691 CB GLU A 61 -2.506 -11.984 -2.106 1.00 0.00 C ATOM 692 CG GLU A 61 -3.821 -11.343 -2.523 1.00 0.00 C ATOM 693 CD GLU A 61 -4.832 -12.353 -3.010 1.00 0.00 C ATOM 694 OE1 GLU A 61 -5.562 -12.928 -2.177 1.00 0.00 O ATOM 695 OE2 GLU A 61 -4.902 -12.576 -4.236 1.00 0.00 O ATOM 0 H GLU A 61 -3.111 -10.822 -0.011 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.642 -11.556 -1.130 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.014 -12.391 -2.989 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.715 -12.823 -1.442 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -4.238 -10.796 -1.678 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -3.632 -10.615 -3.312 1.00 0.00 H new ATOM 702 N GLU A 62 -2.048 -8.884 -2.428 1.00 0.00 N ATOM 703 CA GLU A 62 -1.876 -7.790 -3.362 1.00 0.00 C ATOM 704 C GLU A 62 -0.872 -6.766 -2.833 1.00 0.00 C ATOM 705 O GLU A 62 -0.209 -6.081 -3.614 1.00 0.00 O ATOM 706 CB GLU A 62 -3.223 -7.124 -3.643 1.00 0.00 C ATOM 707 CG GLU A 62 -3.318 -6.508 -5.027 1.00 0.00 C ATOM 708 CD GLU A 62 -3.233 -7.544 -6.137 1.00 0.00 C ATOM 709 OE1 GLU A 62 -2.108 -7.942 -6.507 1.00 0.00 O ATOM 710 OE2 GLU A 62 -4.291 -7.960 -6.651 1.00 0.00 O ATOM 0 H GLU A 62 -2.890 -8.820 -1.855 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.480 -8.195 -4.293 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.016 -7.863 -3.528 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.399 -6.349 -2.897 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.259 -5.964 -5.114 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.516 -5.780 -5.152 1.00 0.00 H new ATOM 717 N ILE A 63 -0.752 -6.655 -1.508 1.00 0.00 N ATOM 718 CA ILE A 63 0.169 -5.685 -0.930 1.00 0.00 C ATOM 719 C ILE A 63 1.614 -6.094 -1.184 1.00 0.00 C ATOM 720 O ILE A 63 2.447 -5.240 -1.500 1.00 0.00 O ATOM 721 CB ILE A 63 -0.056 -5.426 0.588 1.00 0.00 C ATOM 722 CG1 ILE A 63 0.893 -4.322 1.065 1.00 0.00 C ATOM 723 CG2 ILE A 63 0.148 -6.686 1.412 1.00 0.00 C ATOM 724 CD1 ILE A 63 0.786 -4.003 2.536 1.00 0.00 C ATOM 0 H ILE A 63 -1.271 -7.214 -0.831 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.042 -4.743 -1.436 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.090 -5.109 0.728 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.918 -4.620 0.843 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.694 -3.416 0.493 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.018 -6.462 2.466 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.557 -7.451 1.088 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.166 -7.050 1.275 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.492 -3.212 2.789 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.227 -3.672 2.764 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.016 -4.895 3.119 1.00 0.00 H new ATOM 736 N ASP A 64 1.927 -7.390 -1.079 1.00 0.00 N ATOM 737 CA ASP A 64 3.273 -7.823 -1.430 1.00 0.00 C ATOM 738 C ASP A 64 3.453 -7.647 -2.915 1.00 0.00 C ATOM 739 O ASP A 64 4.487 -7.204 -3.353 1.00 0.00 O ATOM 740 CB ASP A 64 3.613 -9.282 -1.100 1.00 0.00 C ATOM 741 CG ASP A 64 2.862 -9.879 0.076 1.00 0.00 C ATOM 742 OD1 ASP A 64 1.988 -10.737 -0.155 1.00 0.00 O ATOM 743 OD2 ASP A 64 3.173 -9.526 1.231 1.00 0.00 O ATOM 0 H ASP A 64 1.293 -8.126 -0.767 1.00 0.00 H new ATOM 0 HA ASP A 64 3.939 -7.209 -0.824 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.415 -9.891 -1.982 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.682 -9.351 -0.899 1.00 0.00 H new ATOM 748 N MET A 65 2.422 -7.976 -3.687 1.00 0.00 N ATOM 749 CA MET A 65 2.491 -7.891 -5.143 1.00 0.00 C ATOM 750 C MET A 65 2.876 -6.480 -5.596 1.00 0.00 C ATOM 751 O MET A 65 3.709 -6.305 -6.493 1.00 0.00 O ATOM 752 CB MET A 65 1.149 -8.295 -5.761 1.00 0.00 C ATOM 753 CG MET A 65 1.162 -8.396 -7.283 1.00 0.00 C ATOM 754 SD MET A 65 1.924 -9.917 -7.902 1.00 0.00 S ATOM 755 CE MET A 65 3.659 -9.662 -7.528 1.00 0.00 C ATOM 0 H MET A 65 1.526 -8.305 -3.328 1.00 0.00 H new ATOM 0 HA MET A 65 3.263 -8.580 -5.485 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.847 -9.257 -5.348 1.00 0.00 H new ATOM 0 HB3 MET A 65 0.392 -7.569 -5.463 1.00 0.00 H new ATOM 0 HG2 MET A 65 0.138 -8.337 -7.651 1.00 0.00 H new ATOM 0 HG3 MET A 65 1.698 -7.539 -7.691 1.00 0.00 H new ATOM 0 HE1 MET A 65 4.270 -10.154 -8.284 1.00 0.00 H new ATOM 0 HE2 MET A 65 3.877 -8.594 -7.524 1.00 0.00 H new ATOM 0 HE3 MET A 65 3.886 -10.083 -6.548 1.00 0.00 H new ATOM 765 N ALA A 66 2.285 -5.477 -4.963 1.00 0.00 N ATOM 766 CA ALA A 66 2.585 -4.089 -5.275 1.00 0.00 C ATOM 767 C ALA A 66 4.000 -3.720 -4.825 1.00 0.00 C ATOM 768 O ALA A 66 4.754 -3.090 -5.570 1.00 0.00 O ATOM 769 CB ALA A 66 1.555 -3.169 -4.633 1.00 0.00 C ATOM 0 H ALA A 66 1.591 -5.601 -4.226 1.00 0.00 H new ATOM 0 HA ALA A 66 2.536 -3.962 -6.356 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.792 -2.133 -4.875 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.563 -3.413 -5.013 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.572 -3.302 -3.551 1.00 0.00 H new ATOM 775 N PHE A 67 4.366 -4.132 -3.613 1.00 0.00 N ATOM 776 CA PHE A 67 5.692 -3.838 -3.070 1.00 0.00 C ATOM 777 C PHE A 67 6.793 -4.607 -3.799 1.00 0.00 C ATOM 778 O PHE A 67 7.935 -4.141 -3.877 1.00 0.00 O ATOM 779 CB PHE A 67 5.750 -4.144 -1.572 1.00 0.00 C ATOM 780 CG PHE A 67 5.207 -3.035 -0.708 1.00 0.00 C ATOM 781 CD1 PHE A 67 5.483 -1.709 -1.015 1.00 0.00 C ATOM 782 CD2 PHE A 67 4.444 -3.311 0.422 1.00 0.00 C ATOM 783 CE1 PHE A 67 5.018 -0.685 -0.217 1.00 0.00 C ATOM 784 CE2 PHE A 67 3.974 -2.285 1.220 1.00 0.00 C ATOM 785 CZ PHE A 67 4.263 -0.973 0.899 1.00 0.00 C ATOM 0 H PHE A 67 3.765 -4.670 -2.989 1.00 0.00 H new ATOM 0 HA PHE A 67 5.866 -2.773 -3.224 1.00 0.00 H new ATOM 0 HB2 PHE A 67 5.187 -5.056 -1.374 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.784 -4.340 -1.290 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.070 -1.477 -1.891 1.00 0.00 H new ATOM 0 HD2 PHE A 67 4.217 -4.335 0.678 1.00 0.00 H new ATOM 0 HE1 PHE A 67 5.245 0.341 -0.466 1.00 0.00 H new ATOM 0 HE2 PHE A 67 3.381 -2.509 2.094 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.897 -0.172 1.524 1.00 0.00 H new ATOM 795 N GLN A 68 6.444 -5.782 -4.318 1.00 0.00 N ATOM 796 CA GLN A 68 7.375 -6.608 -5.074 1.00 0.00 C ATOM 797 C GLN A 68 7.813 -5.871 -6.330 1.00 0.00 C ATOM 798 O GLN A 68 9.004 -5.699 -6.588 1.00 0.00 O ATOM 799 CB GLN A 68 6.755 -7.954 -5.476 1.00 0.00 C ATOM 800 CG GLN A 68 6.591 -8.942 -4.330 1.00 0.00 C ATOM 801 CD GLN A 68 7.884 -9.207 -3.580 1.00 0.00 C ATOM 802 OE1 GLN A 68 8.977 -9.125 -4.140 1.00 0.00 O ATOM 803 NE2 GLN A 68 7.763 -9.530 -2.304 1.00 0.00 N ATOM 0 H GLN A 68 5.511 -6.185 -4.226 1.00 0.00 H new ATOM 0 HA GLN A 68 8.231 -6.807 -4.429 1.00 0.00 H new ATOM 0 HB2 GLN A 68 5.778 -7.770 -5.923 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.377 -8.410 -6.246 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.846 -8.559 -3.633 1.00 0.00 H new ATOM 0 HG3 GLN A 68 6.207 -9.883 -4.722 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.838 -9.587 -1.878 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.595 -9.722 -1.745 1.00 0.00 H new ATOM 812 N GLN A 69 6.824 -5.414 -7.095 1.00 0.00 N ATOM 813 CA GLN A 69 7.075 -4.695 -8.337 1.00 0.00 C ATOM 814 C GLN A 69 7.710 -3.337 -8.061 1.00 0.00 C ATOM 815 O GLN A 69 8.462 -2.814 -8.881 1.00 0.00 O ATOM 816 CB GLN A 69 5.772 -4.508 -9.119 1.00 0.00 C ATOM 817 CG GLN A 69 5.134 -5.812 -9.567 1.00 0.00 C ATOM 818 CD GLN A 69 3.854 -5.593 -10.350 1.00 0.00 C ATOM 819 OE1 GLN A 69 3.882 -5.449 -11.573 1.00 0.00 O ATOM 820 NE2 GLN A 69 2.728 -5.568 -9.653 1.00 0.00 N ATOM 0 H GLN A 69 5.836 -5.531 -6.872 1.00 0.00 H new ATOM 0 HA GLN A 69 7.768 -5.288 -8.934 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.062 -3.961 -8.499 1.00 0.00 H new ATOM 0 HB3 GLN A 69 5.970 -3.891 -9.996 1.00 0.00 H new ATOM 0 HG2 GLN A 69 5.842 -6.367 -10.182 1.00 0.00 H new ATOM 0 HG3 GLN A 69 4.921 -6.428 -8.693 1.00 0.00 H new ATOM 0 HE21 GLN A 69 2.752 -5.692 -8.641 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.837 -5.425 -10.128 1.00 0.00 H new ATOM 829 N SER A 70 7.411 -2.774 -6.895 1.00 0.00 N ATOM 830 CA SER A 70 7.948 -1.474 -6.526 1.00 0.00 C ATOM 831 C SER A 70 9.425 -1.573 -6.118 1.00 0.00 C ATOM 832 O SER A 70 10.111 -0.562 -5.952 1.00 0.00 O ATOM 833 CB SER A 70 7.118 -0.858 -5.397 1.00 0.00 C ATOM 834 OG SER A 70 7.451 0.505 -5.199 1.00 0.00 O ATOM 0 H SER A 70 6.803 -3.197 -6.194 1.00 0.00 H new ATOM 0 HA SER A 70 7.889 -0.826 -7.400 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.057 -0.945 -5.633 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.286 -1.414 -4.474 1.00 0.00 H new ATOM 0 HG SER A 70 8.410 0.633 -5.352 1.00 0.00 H new ATOM 840 N GLY A 71 9.903 -2.804 -5.965 1.00 0.00 N ATOM 841 CA GLY A 71 11.300 -3.034 -5.649 1.00 0.00 C ATOM 842 C GLY A 71 11.668 -2.558 -4.261 1.00 0.00 C ATOM 843 O GLY A 71 12.711 -1.940 -4.069 1.00 0.00 O ATOM 0 H GLY A 71 9.343 -3.652 -6.055 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.517 -4.099 -5.734 1.00 0.00 H new ATOM 0 HA3 GLY A 71 11.924 -2.522 -6.382 1.00 0.00 H new ATOM 847 N THR A 72 10.812 -2.842 -3.293 1.00 0.00 N ATOM 848 CA THR A 72 11.063 -2.433 -1.922 1.00 0.00 C ATOM 849 C THR A 72 12.096 -3.344 -1.267 1.00 0.00 C ATOM 850 O THR A 72 13.185 -2.898 -0.909 1.00 0.00 O ATOM 851 CB THR A 72 9.761 -2.430 -1.101 1.00 0.00 C ATOM 852 OG1 THR A 72 9.057 -3.666 -1.290 1.00 0.00 O ATOM 853 CG2 THR A 72 8.873 -1.266 -1.506 1.00 0.00 C ATOM 0 H THR A 72 9.940 -3.353 -3.431 1.00 0.00 H new ATOM 0 HA THR A 72 11.458 -1.417 -1.944 1.00 0.00 H new ATOM 0 HB THR A 72 10.020 -2.320 -0.048 1.00 0.00 H new ATOM 0 HG1 THR A 72 8.599 -3.652 -2.156 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.958 -1.283 -0.913 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.401 -0.328 -1.332 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.622 -1.351 -2.563 1.00 0.00 H new ATOM 861 N ALA A 73 11.728 -4.616 -1.112 1.00 0.00 N ATOM 862 CA ALA A 73 12.635 -5.655 -0.628 1.00 0.00 C ATOM 863 C ALA A 73 13.338 -5.262 0.672 1.00 0.00 C ATOM 864 O ALA A 73 14.566 -5.190 0.739 1.00 0.00 O ATOM 865 CB ALA A 73 13.650 -5.999 -1.708 1.00 0.00 C ATOM 0 H ALA A 73 10.789 -4.955 -1.320 1.00 0.00 H new ATOM 0 HA ALA A 73 12.034 -6.536 -0.401 1.00 0.00 H new ATOM 0 HB1 ALA A 73 14.323 -6.774 -1.341 1.00 0.00 H new ATOM 0 HB2 ALA A 73 13.129 -6.361 -2.595 1.00 0.00 H new ATOM 0 HB3 ALA A 73 14.226 -5.109 -1.963 1.00 0.00 H new ATOM 871 N ALA A 74 12.548 -5.014 1.707 1.00 0.00 N ATOM 872 CA ALA A 74 13.086 -4.685 3.021 1.00 0.00 C ATOM 873 C ALA A 74 12.485 -5.608 4.071 1.00 0.00 C ATOM 874 O ALA A 74 13.194 -6.354 4.747 1.00 0.00 O ATOM 875 CB ALA A 74 12.804 -3.228 3.365 1.00 0.00 C ATOM 0 H ALA A 74 11.529 -5.034 1.663 1.00 0.00 H new ATOM 0 HA ALA A 74 14.167 -4.826 3.005 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.213 -3.001 4.349 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.269 -2.582 2.621 1.00 0.00 H new ATOM 0 HB3 ALA A 74 11.727 -3.057 3.371 1.00 0.00 H new ATOM 881 N ASP A 75 11.169 -5.541 4.197 1.00 0.00 N ATOM 882 CA ASP A 75 10.417 -6.441 5.060 1.00 0.00 C ATOM 883 C ASP A 75 9.166 -6.872 4.317 1.00 0.00 C ATOM 884 O ASP A 75 8.608 -6.094 3.539 1.00 0.00 O ATOM 885 CB ASP A 75 10.052 -5.752 6.383 1.00 0.00 C ATOM 886 CG ASP A 75 9.277 -6.658 7.324 1.00 0.00 C ATOM 887 OD1 ASP A 75 9.891 -7.568 7.922 1.00 0.00 O ATOM 888 OD2 ASP A 75 8.057 -6.451 7.493 1.00 0.00 O ATOM 0 H ASP A 75 10.591 -4.861 3.704 1.00 0.00 H new ATOM 0 HA ASP A 75 11.024 -7.312 5.306 1.00 0.00 H new ATOM 0 HB2 ASP A 75 10.964 -5.418 6.877 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.459 -4.862 6.172 1.00 0.00 H new ATOM 893 N GLU A 76 8.745 -8.107 4.532 1.00 0.00 N ATOM 894 CA GLU A 76 7.627 -8.668 3.800 1.00 0.00 C ATOM 895 C GLU A 76 6.330 -7.977 4.189 1.00 0.00 C ATOM 896 O GLU A 76 6.024 -7.829 5.369 1.00 0.00 O ATOM 897 CB GLU A 76 7.539 -10.168 4.064 1.00 0.00 C ATOM 898 CG GLU A 76 8.789 -10.915 3.637 1.00 0.00 C ATOM 899 CD GLU A 76 8.724 -12.390 3.950 1.00 0.00 C ATOM 900 OE1 GLU A 76 9.152 -12.785 5.054 1.00 0.00 O ATOM 901 OE2 GLU A 76 8.233 -13.158 3.098 1.00 0.00 O ATOM 0 H GLU A 76 9.165 -8.741 5.212 1.00 0.00 H new ATOM 0 HA GLU A 76 7.786 -8.506 2.734 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.367 -10.336 5.127 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.679 -10.576 3.533 1.00 0.00 H new ATOM 0 HG2 GLU A 76 8.938 -10.782 2.566 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.655 -10.480 4.136 1.00 0.00 H new TER 908 GLU A 76 ATOM 909 N SER B 101 0.850 19.682 5.492 1.00 0.00 N ATOM 910 CA SER B 101 1.657 19.631 4.251 1.00 0.00 C ATOM 911 C SER B 101 2.014 18.192 3.880 1.00 0.00 C ATOM 912 O SER B 101 1.454 17.624 2.941 1.00 0.00 O ATOM 913 CB SER B 101 2.939 20.455 4.423 1.00 0.00 C ATOM 914 OG SER B 101 3.790 20.329 3.297 1.00 0.00 O ATOM 0 HA SER B 101 1.058 20.053 3.444 1.00 0.00 H new ATOM 0 HB2 SER B 101 2.682 21.504 4.571 1.00 0.00 H new ATOM 0 HB3 SER B 101 3.467 20.127 5.318 1.00 0.00 H new ATOM 0 HG SER B 101 4.598 20.866 3.436 1.00 0.00 H new ATOM 922 N GLN B 102 2.920 17.591 4.645 1.00 0.00 N ATOM 923 CA GLN B 102 3.471 16.286 4.299 1.00 0.00 C ATOM 924 C GLN B 102 2.453 15.173 4.527 1.00 0.00 C ATOM 925 O GLN B 102 2.593 14.076 3.994 1.00 0.00 O ATOM 926 CB GLN B 102 4.746 16.021 5.101 1.00 0.00 C ATOM 927 CG GLN B 102 5.834 17.063 4.871 1.00 0.00 C ATOM 928 CD GLN B 102 6.218 17.203 3.408 1.00 0.00 C ATOM 929 OE1 GLN B 102 7.094 16.496 2.917 1.00 0.00 O ATOM 930 NE2 GLN B 102 5.576 18.125 2.704 1.00 0.00 N ATOM 0 H GLN B 102 3.288 17.988 5.510 1.00 0.00 H new ATOM 0 HA GLN B 102 3.717 16.295 3.237 1.00 0.00 H new ATOM 0 HB2 GLN B 102 4.499 15.992 6.162 1.00 0.00 H new ATOM 0 HB3 GLN B 102 5.134 15.037 4.837 1.00 0.00 H new ATOM 0 HG2 GLN B 102 5.491 18.028 5.245 1.00 0.00 H new ATOM 0 HG3 GLN B 102 6.718 16.792 5.449 1.00 0.00 H new ATOM 0 HE21 GLN B 102 4.854 18.693 3.147 1.00 0.00 H new ATOM 0 HE22 GLN B 102 5.804 18.266 1.720 1.00 0.00 H new ATOM 939 N GLU B 103 1.430 15.460 5.321 1.00 0.00 N ATOM 940 CA GLU B 103 0.339 14.516 5.538 1.00 0.00 C ATOM 941 C GLU B 103 -0.354 14.182 4.215 1.00 0.00 C ATOM 942 O GLU B 103 -0.825 13.062 4.009 1.00 0.00 O ATOM 943 CB GLU B 103 -0.667 15.101 6.529 1.00 0.00 C ATOM 944 CG GLU B 103 -1.869 14.211 6.793 1.00 0.00 C ATOM 945 CD GLU B 103 -2.895 14.888 7.671 1.00 0.00 C ATOM 946 OE1 GLU B 103 -3.704 15.677 7.144 1.00 0.00 O ATOM 947 OE2 GLU B 103 -2.896 14.633 8.893 1.00 0.00 O ATOM 0 H GLU B 103 1.332 16.340 5.827 1.00 0.00 H new ATOM 0 HA GLU B 103 0.751 13.596 5.952 1.00 0.00 H new ATOM 0 HB2 GLU B 103 -0.159 15.296 7.473 1.00 0.00 H new ATOM 0 HB3 GLU B 103 -1.016 16.062 6.151 1.00 0.00 H new ATOM 0 HG2 GLU B 103 -2.330 13.934 5.845 1.00 0.00 H new ATOM 0 HG3 GLU B 103 -1.538 13.287 7.268 1.00 0.00 H new ATOM 954 N LYS B 104 -0.385 15.150 3.304 1.00 0.00 N ATOM 955 CA LYS B 104 -1.040 14.961 2.016 1.00 0.00 C ATOM 956 C LYS B 104 -0.203 14.093 1.085 1.00 0.00 C ATOM 957 O LYS B 104 -0.684 13.671 0.038 1.00 0.00 O ATOM 958 CB LYS B 104 -1.327 16.300 1.334 1.00 0.00 C ATOM 959 CG LYS B 104 -2.381 17.141 2.036 1.00 0.00 C ATOM 960 CD LYS B 104 -2.817 18.314 1.173 1.00 0.00 C ATOM 961 CE LYS B 104 -3.503 17.837 -0.097 1.00 0.00 C ATOM 962 NZ LYS B 104 -3.866 18.961 -0.994 1.00 0.00 N ATOM 0 H LYS B 104 0.035 16.070 3.434 1.00 0.00 H new ATOM 0 HA LYS B 104 -1.984 14.455 2.217 1.00 0.00 H new ATOM 0 HB2 LYS B 104 -0.401 16.872 1.276 1.00 0.00 H new ATOM 0 HB3 LYS B 104 -1.650 16.112 0.310 1.00 0.00 H new ATOM 0 HG2 LYS B 104 -3.245 16.521 2.274 1.00 0.00 H new ATOM 0 HG3 LYS B 104 -1.984 17.510 2.982 1.00 0.00 H new ATOM 0 HD2 LYS B 104 -3.496 18.952 1.738 1.00 0.00 H new ATOM 0 HD3 LYS B 104 -1.949 18.921 0.915 1.00 0.00 H new ATOM 0 HE2 LYS B 104 -2.844 17.149 -0.627 1.00 0.00 H new ATOM 0 HE3 LYS B 104 -4.402 17.279 0.165 1.00 0.00 H new ATOM 0 HZ1 LYS B 104 -3.894 18.625 -1.978 1.00 0.00 H new ATOM 0 HZ2 LYS B 104 -4.801 19.330 -0.727 1.00 0.00 H new ATOM 0 HZ3 LYS B 104 -3.158 19.718 -0.907 1.00 0.00 H new ATOM 976 N PHE B 105 1.036 13.814 1.471 1.00 0.00 N ATOM 977 CA PHE B 105 1.935 13.022 0.639 1.00 0.00 C ATOM 978 C PHE B 105 1.446 11.579 0.559 1.00 0.00 C ATOM 979 O PHE B 105 1.691 10.887 -0.422 1.00 0.00 O ATOM 980 CB PHE B 105 3.358 13.076 1.204 1.00 0.00 C ATOM 981 CG PHE B 105 4.423 12.570 0.269 1.00 0.00 C ATOM 982 CD1 PHE B 105 4.778 13.303 -0.851 1.00 0.00 C ATOM 983 CD2 PHE B 105 5.080 11.376 0.518 1.00 0.00 C ATOM 984 CE1 PHE B 105 5.763 12.854 -1.708 1.00 0.00 C ATOM 985 CE2 PHE B 105 6.065 10.921 -0.336 1.00 0.00 C ATOM 986 CZ PHE B 105 6.406 11.661 -1.450 1.00 0.00 C ATOM 0 H PHE B 105 1.441 14.124 2.354 1.00 0.00 H new ATOM 0 HA PHE B 105 1.944 13.439 -0.368 1.00 0.00 H new ATOM 0 HB2 PHE B 105 3.589 14.107 1.473 1.00 0.00 H new ATOM 0 HB3 PHE B 105 3.392 12.491 2.123 1.00 0.00 H new ATOM 0 HD1 PHE B 105 4.278 14.238 -1.057 1.00 0.00 H new ATOM 0 HD2 PHE B 105 4.819 10.795 1.390 1.00 0.00 H new ATOM 0 HE1 PHE B 105 6.029 13.435 -2.578 1.00 0.00 H new ATOM 0 HE2 PHE B 105 6.568 9.987 -0.132 1.00 0.00 H new ATOM 0 HZ PHE B 105 7.176 11.306 -2.119 1.00 0.00 H new ATOM 996 N PHE B 106 0.739 11.140 1.591 1.00 0.00 N ATOM 997 CA PHE B 106 0.157 9.803 1.600 1.00 0.00 C ATOM 998 C PHE B 106 -1.224 9.809 0.954 1.00 0.00 C ATOM 999 O PHE B 106 -1.701 8.789 0.465 1.00 0.00 O ATOM 1000 CB PHE B 106 0.048 9.262 3.028 1.00 0.00 C ATOM 1001 CG PHE B 106 1.357 8.843 3.631 1.00 0.00 C ATOM 1002 CD1 PHE B 106 1.984 9.629 4.584 1.00 0.00 C ATOM 1003 CD2 PHE B 106 1.954 7.653 3.252 1.00 0.00 C ATOM 1004 CE1 PHE B 106 3.182 9.232 5.148 1.00 0.00 C ATOM 1005 CE2 PHE B 106 3.153 7.252 3.807 1.00 0.00 C ATOM 1006 CZ PHE B 106 3.767 8.041 4.759 1.00 0.00 C ATOM 0 H PHE B 106 0.554 11.688 2.431 1.00 0.00 H new ATOM 0 HA PHE B 106 0.818 9.154 1.025 1.00 0.00 H new ATOM 0 HB2 PHE B 106 -0.402 10.027 3.661 1.00 0.00 H new ATOM 0 HB3 PHE B 106 -0.630 8.408 3.030 1.00 0.00 H new ATOM 0 HD1 PHE B 106 1.532 10.561 4.889 1.00 0.00 H new ATOM 0 HD2 PHE B 106 1.475 7.029 2.512 1.00 0.00 H new ATOM 0 HE1 PHE B 106 3.661 9.852 5.892 1.00 0.00 H new ATOM 0 HE2 PHE B 106 3.609 6.323 3.497 1.00 0.00 H new ATOM 0 HZ PHE B 106 4.702 7.729 5.199 1.00 0.00 H new ATOM 1016 N GLN B 107 -1.862 10.966 0.949 1.00 0.00 N ATOM 1017 CA GLN B 107 -3.234 11.071 0.479 1.00 0.00 C ATOM 1018 C GLN B 107 -3.294 11.448 -0.996 1.00 0.00 C ATOM 1019 O GLN B 107 -3.717 10.653 -1.832 1.00 0.00 O ATOM 1020 CB GLN B 107 -3.995 12.109 1.310 1.00 0.00 C ATOM 1021 CG GLN B 107 -4.056 11.780 2.793 1.00 0.00 C ATOM 1022 CD GLN B 107 -4.728 12.869 3.611 1.00 0.00 C ATOM 1023 OE1 GLN B 107 -4.596 14.112 3.171 1.00 0.00 O flip ATOM 1024 NE2 GLN B 107 -5.360 12.599 4.631 1.00 0.00 N flip ATOM 0 H GLN B 107 -1.454 11.846 1.265 1.00 0.00 H new ATOM 0 HA GLN B 107 -3.701 10.093 0.596 1.00 0.00 H new ATOM 0 HB2 GLN B 107 -3.521 13.082 1.182 1.00 0.00 H new ATOM 0 HB3 GLN B 107 -5.011 12.196 0.924 1.00 0.00 H new ATOM 0 HG2 GLN B 107 -4.596 10.843 2.931 1.00 0.00 H new ATOM 0 HG3 GLN B 107 -3.044 11.623 3.167 1.00 0.00 H new ATOM 0 HE21 GLN B 107 -5.441 11.630 4.940 1.00 0.00 H new ATOM 0 HE22 GLN B 107 -5.804 13.344 5.168 1.00 0.00 H new ATOM 1033 N GLU B 108 -2.820 12.648 -1.305 1.00 0.00 N ATOM 1034 CA GLU B 108 -2.981 13.232 -2.633 1.00 0.00 C ATOM 1035 C GLU B 108 -2.235 12.428 -3.695 1.00 0.00 C ATOM 1036 O GLU B 108 -2.565 12.482 -4.880 1.00 0.00 O ATOM 1037 CB GLU B 108 -2.504 14.687 -2.611 1.00 0.00 C ATOM 1038 CG GLU B 108 -2.754 15.444 -3.904 1.00 0.00 C ATOM 1039 CD GLU B 108 -2.603 16.939 -3.732 1.00 0.00 C ATOM 1040 OE1 GLU B 108 -3.609 17.604 -3.402 1.00 0.00 O ATOM 1041 OE2 GLU B 108 -1.483 17.460 -3.915 1.00 0.00 O ATOM 0 H GLU B 108 -2.316 13.242 -0.647 1.00 0.00 H new ATOM 0 HA GLU B 108 -4.038 13.205 -2.898 1.00 0.00 H new ATOM 0 HB2 GLU B 108 -3.004 15.209 -1.795 1.00 0.00 H new ATOM 0 HB3 GLU B 108 -1.436 14.704 -2.394 1.00 0.00 H new ATOM 0 HG2 GLU B 108 -2.057 15.096 -4.667 1.00 0.00 H new ATOM 0 HG3 GLU B 108 -3.758 15.222 -4.264 1.00 0.00 H new ATOM 1048 N LEU B 109 -1.240 11.663 -3.270 1.00 0.00 N ATOM 1049 CA LEU B 109 -0.467 10.859 -4.201 1.00 0.00 C ATOM 1050 C LEU B 109 -1.165 9.546 -4.517 1.00 0.00 C ATOM 1051 O LEU B 109 -0.755 8.833 -5.428 1.00 0.00 O ATOM 1052 CB LEU B 109 0.935 10.574 -3.663 1.00 0.00 C ATOM 1053 CG LEU B 109 1.957 11.699 -3.843 1.00 0.00 C ATOM 1054 CD1 LEU B 109 1.593 12.927 -3.020 1.00 0.00 C ATOM 1055 CD2 LEU B 109 3.341 11.202 -3.471 1.00 0.00 C ATOM 0 H LEU B 109 -0.952 11.583 -2.295 1.00 0.00 H new ATOM 0 HA LEU B 109 -0.380 11.440 -5.119 1.00 0.00 H new ATOM 0 HB2 LEU B 109 0.857 10.346 -2.600 1.00 0.00 H new ATOM 0 HB3 LEU B 109 1.317 9.679 -4.154 1.00 0.00 H new ATOM 0 HG LEU B 109 1.951 11.996 -4.892 1.00 0.00 H new ATOM 0 HD11 LEU B 109 2.342 13.704 -3.174 1.00 0.00 H new ATOM 0 HD12 LEU B 109 0.617 13.298 -3.332 1.00 0.00 H new ATOM 0 HD13 LEU B 109 1.559 12.660 -1.964 1.00 0.00 H new ATOM 0 HD21 LEU B 109 4.064 12.007 -3.601 1.00 0.00 H new ATOM 0 HD22 LEU B 109 3.343 10.877 -2.431 1.00 0.00 H new ATOM 0 HD23 LEU B 109 3.612 10.364 -4.114 1.00 0.00 H new ATOM 1067 N PHE B 110 -2.212 9.210 -3.780 1.00 0.00 N ATOM 1068 CA PHE B 110 -2.913 7.971 -4.058 1.00 0.00 C ATOM 1069 C PHE B 110 -4.192 8.236 -4.837 1.00 0.00 C ATOM 1070 O PHE B 110 -4.817 7.310 -5.357 1.00 0.00 O ATOM 1071 CB PHE B 110 -3.216 7.181 -2.788 1.00 0.00 C ATOM 1072 CG PHE B 110 -3.171 5.702 -3.041 1.00 0.00 C ATOM 1073 CD1 PHE B 110 -4.337 5.007 -3.315 1.00 0.00 C ATOM 1074 CD2 PHE B 110 -1.979 5.001 -2.968 1.00 0.00 C ATOM 1075 CE1 PHE B 110 -4.316 3.643 -3.515 1.00 0.00 C ATOM 1076 CE2 PHE B 110 -1.951 3.635 -3.172 1.00 0.00 C ATOM 1077 CZ PHE B 110 -3.057 2.979 -3.572 1.00 0.00 C ATOM 0 H PHE B 110 -2.585 9.761 -3.007 1.00 0.00 H new ATOM 0 HA PHE B 110 -2.248 7.361 -4.669 1.00 0.00 H new ATOM 0 HB2 PHE B 110 -2.494 7.442 -2.014 1.00 0.00 H new ATOM 0 HB3 PHE B 110 -4.201 7.458 -2.411 1.00 0.00 H new ATOM 0 HD1 PHE B 110 -5.274 5.540 -3.373 1.00 0.00 H new ATOM 0 HD2 PHE B 110 -1.062 5.528 -2.749 1.00 0.00 H new ATOM 0 HE1 PHE B 110 -5.236 3.089 -3.626 1.00 0.00 H new ATOM 0 HE2 PHE B 110 -1.034 3.088 -3.009 1.00 0.00 H new ATOM 0 HZ PHE B 110 -2.990 1.963 -3.931 1.00 0.00 H new ATOM 1087 N ASP B 111 -4.584 9.497 -4.919 1.00 0.00 N ATOM 1088 CA ASP B 111 -5.707 9.876 -5.761 1.00 0.00 C ATOM 1089 C ASP B 111 -5.287 9.774 -7.220 1.00 0.00 C ATOM 1090 O ASP B 111 -5.703 8.864 -7.934 1.00 0.00 O ATOM 1091 CB ASP B 111 -6.181 11.295 -5.436 1.00 0.00 C ATOM 1092 CG ASP B 111 -6.713 11.418 -4.022 1.00 0.00 C ATOM 1093 OD1 ASP B 111 -5.964 11.880 -3.133 1.00 0.00 O ATOM 1094 OD2 ASP B 111 -7.879 11.047 -3.787 1.00 0.00 O ATOM 0 H ASP B 111 -4.146 10.270 -4.418 1.00 0.00 H new ATOM 0 HA ASP B 111 -6.541 9.200 -5.572 1.00 0.00 H new ATOM 0 HB2 ASP B 111 -5.353 11.991 -5.572 1.00 0.00 H new ATOM 0 HB3 ASP B 111 -6.960 11.585 -6.141 1.00 0.00 H new ATOM 1099 N SER B 112 -4.443 10.706 -7.645 1.00 0.00 N ATOM 1100 CA SER B 112 -3.825 10.667 -8.966 1.00 0.00 C ATOM 1101 C SER B 112 -2.631 11.612 -9.001 1.00 0.00 C ATOM 1102 O SER B 112 -2.824 12.818 -9.253 1.00 0.00 O ATOM 1103 CB SER B 112 -4.830 11.032 -10.070 1.00 0.00 C ATOM 1104 OG SER B 112 -5.798 10.008 -10.238 1.00 0.00 O ATOM 1105 OXT SER B 112 -1.499 11.149 -8.746 1.00 0.00 O ATOM 0 H SER B 112 -4.167 11.511 -7.083 1.00 0.00 H new ATOM 0 HA SER B 112 -3.487 9.648 -9.155 1.00 0.00 H new ATOM 0 HB2 SER B 112 -5.327 11.969 -9.818 1.00 0.00 H new ATOM 0 HB3 SER B 112 -4.301 11.194 -11.009 1.00 0.00 H new ATOM 0 HG SER B 112 -5.648 9.304 -9.573 1.00 0.00 H new TER 1111 SER B 112