USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 832 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 94 THR OG1 : rot -51:sc= 1.01 USER MOD Set 1.2: A 97 THR OG1 : rot 180:sc= 1.34 USER MOD Set 2.1: A 88 HIS :FLIP no HD1:sc= -0.353 F(o=-2.8,f=-2.3) USER MOD Set 2.2: A 91 GLN :FLIP amide:sc= -1.94! C(o=-4.6!,f=-2.3!) USER MOD Set 3.1: A 27 CYS SG : rot -161:sc= -0.325 USER MOD Set 3.2: A 28 SER OG : rot 180:sc= 0.00111 USER MOD Set 4.1: A 26 THR OG1 : rot -59:sc= 1.31 USER MOD Set 4.2: A 51 SER OG : rot 70:sc= 0.113 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.435 USER MOD Single : A 13 GLN : amide:sc= -0.116 K(o=-0.12,f=-1.1) USER MOD Single : A 17 ASN : amide:sc= -0.155 K(o=-0.16,f=-1.5) USER MOD Single : A 19 SER OG : rot 25:sc= 0.973 USER MOD Single : A 22 ASN : amide:sc= 0.608 K(o=0.61,f=-0.13) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0.84 K(o=0.84,f=-6.9!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0107 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= 1.73 K(o=1.7,f=-2.1) USER MOD Single : A 38 GLN : amide:sc= -0.0276 X(o=-0.028,f=-0.028) USER MOD Single : A 39 MET CE :methyl 174:sc= -3.7 (180deg=-4.09) USER MOD Single : A 40 THR OG1 : rot -90:sc= 1.53 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 50:sc= 0.166 USER MOD Single : A 59 ASN : amide:sc= 1.16 K(o=1.2,f=-0.024) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -0.252 K(o=-0.25,f=-1.8) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0.0719 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -169:sc= 0.378 (180deg=0.327) USER MOD Single : A 82 HIS : no HD1:sc= -0.13 X(o=-0.13,f=0) USER MOD Single : A 83 LYS NZ :NH3+ -167:sc= 1.29 (180deg=1.21) USER MOD Single : A 90 ASN :FLIP amide:sc= -0.322 F(o=-4.7!,f=-0.32) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= 0.657 K(o=0.66,f=-0.43) USER MOD Single : A 102 THR OG1 : rot -85:sc= 1.21 USER MOD Single : A 104 CYS SG : rot -140:sc= -1.42 USER MOD Single : A 107 CYS SG : rot 127:sc= -0.0232 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 85 N PRO A 6 -14.129 -11.730 2.181 1.00 0.00 N ATOM 86 CA PRO A 6 -12.866 -11.055 2.428 1.00 0.00 C ATOM 87 C PRO A 6 -12.962 -10.267 3.725 1.00 0.00 C ATOM 88 O PRO A 6 -14.050 -10.023 4.252 1.00 0.00 O ATOM 89 CB PRO A 6 -12.635 -10.180 1.192 1.00 0.00 C ATOM 90 CG PRO A 6 -14.056 -9.801 0.771 1.00 0.00 C ATOM 91 CD PRO A 6 -14.877 -11.039 1.138 1.00 0.00 C ATOM 0 HA PRO A 6 -12.021 -11.731 2.562 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -12.035 -9.301 1.426 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -12.112 -10.723 0.405 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -14.408 -8.914 1.298 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -14.114 -9.582 -0.295 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -15.869 -10.757 1.492 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -15.019 -11.683 0.270 1.00 0.00 H new ATOM 99 N ILE A 7 -11.808 -9.911 4.274 1.00 0.00 N ATOM 100 CA ILE A 7 -11.747 -9.240 5.556 1.00 0.00 C ATOM 101 C ILE A 7 -12.137 -7.790 5.335 1.00 0.00 C ATOM 102 O ILE A 7 -11.287 -6.997 4.947 1.00 0.00 O ATOM 103 CB ILE A 7 -10.369 -9.466 6.210 1.00 0.00 C ATOM 104 CG1 ILE A 7 -10.169 -10.960 6.547 1.00 0.00 C ATOM 105 CG2 ILE A 7 -10.197 -8.633 7.489 1.00 0.00 C ATOM 106 CD1 ILE A 7 -8.691 -11.311 6.685 1.00 0.00 C ATOM 0 H ILE A 7 -10.898 -10.079 3.844 1.00 0.00 H new ATOM 0 HA ILE A 7 -12.454 -9.651 6.277 1.00 0.00 H new ATOM 0 HB ILE A 7 -9.618 -9.145 5.488 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -10.688 -11.197 7.476 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -10.618 -11.573 5.766 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -9.213 -8.823 7.917 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -10.290 -7.574 7.249 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.966 -8.911 8.210 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -8.589 -12.370 6.922 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -8.177 -11.098 5.747 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -8.249 -10.716 7.484 1.00 0.00 H new ATOM 118 N ASP A 8 -13.410 -7.459 5.569 1.00 0.00 N ATOM 119 CA ASP A 8 -13.985 -6.109 5.593 1.00 0.00 C ATOM 120 C ASP A 8 -13.654 -5.252 4.369 1.00 0.00 C ATOM 121 O ASP A 8 -13.728 -4.022 4.424 1.00 0.00 O ATOM 122 CB ASP A 8 -13.605 -5.414 6.918 1.00 0.00 C ATOM 123 CG ASP A 8 -14.722 -5.469 7.952 1.00 0.00 C ATOM 124 OD1 ASP A 8 -15.815 -4.916 7.675 1.00 0.00 O ATOM 125 OD2 ASP A 8 -14.456 -6.028 9.039 1.00 0.00 O ATOM 0 H ASP A 8 -14.113 -8.173 5.759 1.00 0.00 H new ATOM 0 HA ASP A 8 -15.068 -6.223 5.540 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -12.712 -5.886 7.328 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -13.352 -4.373 6.718 1.00 0.00 H new ATOM 130 N LEU A 9 -13.216 -5.888 3.285 1.00 0.00 N ATOM 131 CA LEU A 9 -12.435 -5.244 2.257 1.00 0.00 C ATOM 132 C LEU A 9 -13.403 -4.539 1.338 1.00 0.00 C ATOM 133 O LEU A 9 -14.370 -5.134 0.858 1.00 0.00 O ATOM 134 CB LEU A 9 -11.587 -6.278 1.510 1.00 0.00 C ATOM 135 CG LEU A 9 -10.185 -5.735 1.195 1.00 0.00 C ATOM 136 CD1 LEU A 9 -9.452 -6.790 0.397 1.00 0.00 C ATOM 137 CD2 LEU A 9 -10.131 -4.474 0.345 1.00 0.00 C ATOM 0 H LEU A 9 -13.400 -6.875 3.103 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.739 -4.520 2.682 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.501 -7.183 2.112 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -12.087 -6.558 0.583 1.00 0.00 H new ATOM 0 HG LEU A 9 -9.753 -5.490 2.165 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.450 -6.434 0.157 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.381 -7.706 0.984 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.996 -6.992 -0.526 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.092 -4.185 0.188 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -10.604 -4.664 -0.618 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.659 -3.668 0.855 1.00 0.00 H new ATOM 149 N VAL A 10 -13.124 -3.274 1.083 1.00 0.00 N ATOM 150 CA VAL A 10 -14.034 -2.361 0.414 1.00 0.00 C ATOM 151 C VAL A 10 -13.227 -1.522 -0.576 1.00 0.00 C ATOM 152 O VAL A 10 -12.194 -0.958 -0.204 1.00 0.00 O ATOM 153 CB VAL A 10 -14.886 -1.541 1.406 1.00 0.00 C ATOM 154 CG1 VAL A 10 -16.072 -2.359 1.924 1.00 0.00 C ATOM 155 CG2 VAL A 10 -14.143 -1.030 2.634 1.00 0.00 C ATOM 0 H VAL A 10 -12.237 -2.842 1.341 1.00 0.00 H new ATOM 0 HA VAL A 10 -14.780 -2.920 -0.150 1.00 0.00 H new ATOM 0 HB VAL A 10 -15.198 -0.680 0.815 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -16.654 -1.755 2.621 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -16.703 -2.656 1.086 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -15.705 -3.249 2.434 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -14.829 -0.467 3.266 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -13.743 -1.875 3.195 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -13.324 -0.382 2.321 1.00 0.00 H new ATOM 165 N PRO A 11 -13.618 -1.472 -1.858 1.00 0.00 N ATOM 166 CA PRO A 11 -12.921 -0.664 -2.838 1.00 0.00 C ATOM 167 C PRO A 11 -12.997 0.830 -2.493 1.00 0.00 C ATOM 168 O PRO A 11 -13.845 1.275 -1.716 1.00 0.00 O ATOM 169 CB PRO A 11 -13.572 -0.955 -4.185 1.00 0.00 C ATOM 170 CG PRO A 11 -14.612 -2.046 -3.933 1.00 0.00 C ATOM 171 CD PRO A 11 -14.824 -2.037 -2.426 1.00 0.00 C ATOM 0 HA PRO A 11 -11.860 -0.913 -2.857 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -14.040 -0.059 -4.592 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -12.830 -1.286 -4.912 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -15.541 -1.838 -4.465 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -14.258 -3.018 -4.277 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -15.697 -1.442 -2.158 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -14.997 -3.045 -2.050 1.00 0.00 H new ATOM 179 N THR A 12 -12.119 1.608 -3.112 1.00 0.00 N ATOM 180 CA THR A 12 -12.096 3.064 -3.089 1.00 0.00 C ATOM 181 C THR A 12 -11.317 3.494 -4.347 1.00 0.00 C ATOM 182 O THR A 12 -11.283 2.776 -5.358 1.00 0.00 O ATOM 183 CB THR A 12 -11.529 3.546 -1.726 1.00 0.00 C ATOM 184 OG1 THR A 12 -11.410 4.951 -1.600 1.00 0.00 O ATOM 185 CG2 THR A 12 -10.141 2.965 -1.457 1.00 0.00 C ATOM 0 H THR A 12 -11.362 1.218 -3.674 1.00 0.00 H new ATOM 0 HA THR A 12 -13.078 3.535 -3.141 1.00 0.00 H new ATOM 0 HB THR A 12 -12.266 3.191 -1.006 1.00 0.00 H new ATOM 0 HG1 THR A 12 -11.049 5.171 -0.716 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.776 3.324 -0.495 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.199 1.877 -1.440 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.456 3.279 -2.245 1.00 0.00 H new ATOM 193 N GLN A 13 -10.705 4.672 -4.308 1.00 0.00 N ATOM 194 CA GLN A 13 -9.889 5.259 -5.351 1.00 0.00 C ATOM 195 C GLN A 13 -8.751 6.056 -4.703 1.00 0.00 C ATOM 196 O GLN A 13 -8.837 6.366 -3.511 1.00 0.00 O ATOM 197 CB GLN A 13 -10.804 6.150 -6.207 1.00 0.00 C ATOM 198 CG GLN A 13 -11.509 7.315 -5.461 1.00 0.00 C ATOM 199 CD GLN A 13 -13.039 7.280 -5.546 1.00 0.00 C ATOM 200 OE1 GLN A 13 -13.622 6.735 -6.484 1.00 0.00 O ATOM 201 NE2 GLN A 13 -13.739 7.847 -4.579 1.00 0.00 N ATOM 0 H GLN A 13 -10.774 5.278 -3.491 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.435 4.502 -5.990 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -10.212 6.571 -7.020 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -11.569 5.521 -6.662 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.214 7.291 -4.412 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -11.155 8.261 -5.871 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -13.260 8.299 -3.800 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -14.758 7.832 -4.611 1.00 0.00 H new ATOM 210 N PRO A 14 -7.707 6.439 -5.456 1.00 0.00 N ATOM 211 CA PRO A 14 -6.840 7.529 -5.057 1.00 0.00 C ATOM 212 C PRO A 14 -7.610 8.841 -5.187 1.00 0.00 C ATOM 213 O PRO A 14 -8.490 8.970 -6.052 1.00 0.00 O ATOM 214 CB PRO A 14 -5.651 7.492 -6.017 1.00 0.00 C ATOM 215 CG PRO A 14 -6.259 6.901 -7.288 1.00 0.00 C ATOM 216 CD PRO A 14 -7.327 5.934 -6.761 1.00 0.00 C ATOM 0 HA PRO A 14 -6.501 7.443 -4.025 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.240 8.487 -6.190 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -4.840 6.874 -5.632 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.695 7.674 -7.921 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -5.510 6.383 -7.887 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -8.186 5.897 -7.431 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -6.935 4.920 -6.689 1.00 0.00 H new ATOM 224 N LEU A 15 -7.203 9.817 -4.372 1.00 0.00 N ATOM 225 CA LEU A 15 -7.711 11.179 -4.406 1.00 0.00 C ATOM 226 C LEU A 15 -7.575 11.770 -5.812 1.00 0.00 C ATOM 227 O LEU A 15 -6.648 11.422 -6.556 1.00 0.00 O ATOM 228 CB LEU A 15 -6.928 12.052 -3.411 1.00 0.00 C ATOM 229 CG LEU A 15 -7.418 11.942 -1.956 1.00 0.00 C ATOM 230 CD1 LEU A 15 -6.376 12.492 -0.981 1.00 0.00 C ATOM 231 CD2 LEU A 15 -8.710 12.747 -1.794 1.00 0.00 C ATOM 0 H LEU A 15 -6.493 9.672 -3.654 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.765 11.160 -4.130 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.875 11.773 -3.450 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.994 13.093 -3.727 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.589 10.889 -1.734 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -6.749 12.402 0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.450 11.926 -1.080 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.185 13.541 -1.206 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.059 12.671 -0.764 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.520 13.793 -2.036 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.472 12.351 -2.466 1.00 0.00 H new ATOM 243 N PRO A 16 -8.472 12.696 -6.178 1.00 0.00 N ATOM 244 CA PRO A 16 -8.425 13.358 -7.462 1.00 0.00 C ATOM 245 C PRO A 16 -7.203 14.261 -7.523 1.00 0.00 C ATOM 246 O PRO A 16 -6.862 14.939 -6.553 1.00 0.00 O ATOM 247 CB PRO A 16 -9.757 14.104 -7.594 1.00 0.00 C ATOM 248 CG PRO A 16 -10.205 14.329 -6.152 1.00 0.00 C ATOM 249 CD PRO A 16 -9.563 13.200 -5.363 1.00 0.00 C ATOM 0 HA PRO A 16 -8.317 12.672 -8.302 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -9.634 15.048 -8.125 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.488 13.518 -8.151 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -9.880 15.302 -5.785 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.291 14.303 -6.067 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -9.195 13.559 -4.402 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.287 12.412 -5.154 1.00 0.00 H new ATOM 257 N ASN A 17 -6.544 14.253 -8.679 1.00 0.00 N ATOM 258 CA ASN A 17 -5.316 14.944 -9.054 1.00 0.00 C ATOM 259 C ASN A 17 -4.148 14.184 -8.434 1.00 0.00 C ATOM 260 O ASN A 17 -3.389 13.518 -9.143 1.00 0.00 O ATOM 261 CB ASN A 17 -5.294 16.440 -8.667 1.00 0.00 C ATOM 262 CG ASN A 17 -6.555 17.237 -8.964 1.00 0.00 C ATOM 263 OD1 ASN A 17 -7.549 16.754 -9.502 1.00 0.00 O ATOM 264 ND2 ASN A 17 -6.580 18.485 -8.540 1.00 0.00 N ATOM 0 H ASN A 17 -6.898 13.701 -9.460 1.00 0.00 H new ATOM 0 HA ASN A 17 -5.242 14.949 -10.141 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.088 16.513 -7.599 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -4.461 16.914 -9.186 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -7.423 19.047 -8.659 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -5.757 18.888 -8.093 1.00 0.00 H new ATOM 271 N ALA A 18 -4.120 14.210 -7.103 1.00 0.00 N ATOM 272 CA ALA A 18 -3.057 13.898 -6.140 1.00 0.00 C ATOM 273 C ALA A 18 -1.647 14.400 -6.535 1.00 0.00 C ATOM 274 O ALA A 18 -1.386 14.834 -7.664 1.00 0.00 O ATOM 275 CB ALA A 18 -3.115 12.408 -5.815 1.00 0.00 C ATOM 0 H ALA A 18 -4.963 14.490 -6.601 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.250 14.469 -5.232 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.330 12.161 -5.100 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.087 12.167 -5.385 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.969 11.831 -6.728 1.00 0.00 H new ATOM 281 N SER A 19 -0.728 14.383 -5.572 1.00 0.00 N ATOM 282 CA SER A 19 0.579 15.029 -5.625 1.00 0.00 C ATOM 283 C SER A 19 1.452 14.443 -4.509 1.00 0.00 C ATOM 284 O SER A 19 1.167 14.618 -3.323 1.00 0.00 O ATOM 285 CB SER A 19 0.422 16.558 -5.489 1.00 0.00 C ATOM 286 OG SER A 19 -0.661 16.942 -4.657 1.00 0.00 O ATOM 0 H SER A 19 -0.884 13.894 -4.691 1.00 0.00 H new ATOM 0 HA SER A 19 1.061 14.842 -6.585 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.345 16.976 -5.087 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.281 16.991 -6.479 1.00 0.00 H new ATOM 0 HG SER A 19 -0.859 16.221 -4.024 1.00 0.00 H new ATOM 292 N PHE A 20 2.483 13.688 -4.873 1.00 0.00 N ATOM 293 CA PHE A 20 3.452 13.108 -3.963 1.00 0.00 C ATOM 294 C PHE A 20 4.231 14.214 -3.280 1.00 0.00 C ATOM 295 O PHE A 20 4.995 14.972 -3.882 1.00 0.00 O ATOM 296 CB PHE A 20 4.317 12.116 -4.758 1.00 0.00 C ATOM 297 CG PHE A 20 5.351 11.314 -3.994 1.00 0.00 C ATOM 298 CD1 PHE A 20 5.091 10.822 -2.701 1.00 0.00 C ATOM 299 CD2 PHE A 20 6.596 11.056 -4.594 1.00 0.00 C ATOM 300 CE1 PHE A 20 6.098 10.156 -1.983 1.00 0.00 C ATOM 301 CE2 PHE A 20 7.602 10.385 -3.882 1.00 0.00 C ATOM 302 CZ PHE A 20 7.358 9.963 -2.564 1.00 0.00 C ATOM 0 H PHE A 20 2.670 13.457 -5.849 1.00 0.00 H new ATOM 0 HA PHE A 20 2.978 12.546 -3.158 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.649 11.414 -5.257 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.835 12.673 -5.539 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.115 10.957 -2.260 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.779 11.376 -5.609 1.00 0.00 H new ATOM 0 HE1 PHE A 20 5.901 9.793 -0.985 1.00 0.00 H new ATOM 0 HE2 PHE A 20 8.559 10.194 -4.345 1.00 0.00 H new ATOM 0 HZ PHE A 20 8.145 9.488 -1.997 1.00 0.00 H new ATOM 312 N ASP A 21 3.906 14.339 -2.004 1.00 0.00 N ATOM 313 CA ASP A 21 4.650 15.019 -0.981 1.00 0.00 C ATOM 314 C ASP A 21 5.825 14.139 -0.528 1.00 0.00 C ATOM 315 O ASP A 21 5.923 12.986 -0.938 1.00 0.00 O ATOM 316 CB ASP A 21 3.671 15.290 0.155 1.00 0.00 C ATOM 317 CG ASP A 21 3.228 14.044 0.915 1.00 0.00 C ATOM 318 OD1 ASP A 21 2.415 13.277 0.343 1.00 0.00 O ATOM 319 OD2 ASP A 21 3.673 13.858 2.071 1.00 0.00 O ATOM 0 H ASP A 21 3.045 13.932 -1.638 1.00 0.00 H new ATOM 0 HA ASP A 21 5.077 15.957 -1.335 1.00 0.00 H new ATOM 0 HB2 ASP A 21 4.132 15.985 0.857 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.789 15.785 -0.252 1.00 0.00 H new ATOM 324 N ASN A 22 6.766 14.639 0.278 1.00 0.00 N ATOM 325 CA ASN A 22 8.032 13.930 0.540 1.00 0.00 C ATOM 326 C ASN A 22 7.909 12.936 1.699 1.00 0.00 C ATOM 327 O ASN A 22 8.901 12.661 2.379 1.00 0.00 O ATOM 328 CB ASN A 22 9.223 14.912 0.710 1.00 0.00 C ATOM 329 CG ASN A 22 10.197 14.865 -0.458 1.00 0.00 C ATOM 330 OD1 ASN A 22 9.790 14.832 -1.617 1.00 0.00 O ATOM 331 ND2 ASN A 22 11.488 14.834 -0.180 1.00 0.00 N ATOM 0 H ASN A 22 6.679 15.532 0.763 1.00 0.00 H new ATOM 0 HA ASN A 22 8.253 13.333 -0.345 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.839 15.927 0.816 1.00 0.00 H new ATOM 0 HB3 ASN A 22 9.755 14.674 1.631 1.00 0.00 H new ATOM 0 HD21 ASN A 22 12.171 14.782 -0.936 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.802 14.863 0.790 1.00 0.00 H new ATOM 338 N PHE A 23 6.717 12.409 1.997 1.00 0.00 N ATOM 339 CA PHE A 23 6.650 11.310 2.951 1.00 0.00 C ATOM 340 C PHE A 23 7.421 10.098 2.417 1.00 0.00 C ATOM 341 O PHE A 23 7.636 9.939 1.213 1.00 0.00 O ATOM 342 CB PHE A 23 5.209 10.942 3.328 1.00 0.00 C ATOM 343 CG PHE A 23 4.531 9.967 2.390 1.00 0.00 C ATOM 344 CD1 PHE A 23 3.998 10.411 1.171 1.00 0.00 C ATOM 345 CD2 PHE A 23 4.437 8.607 2.736 1.00 0.00 C ATOM 346 CE1 PHE A 23 3.355 9.510 0.312 1.00 0.00 C ATOM 347 CE2 PHE A 23 3.792 7.705 1.877 1.00 0.00 C ATOM 348 CZ PHE A 23 3.255 8.156 0.664 1.00 0.00 C ATOM 0 H PHE A 23 5.824 12.712 1.608 1.00 0.00 H new ATOM 0 HA PHE A 23 7.125 11.646 3.873 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.209 10.517 4.332 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.616 11.855 3.369 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.084 11.451 0.893 1.00 0.00 H new ATOM 0 HD2 PHE A 23 4.862 8.257 3.665 1.00 0.00 H new ATOM 0 HE1 PHE A 23 2.937 9.858 -0.621 1.00 0.00 H new ATOM 0 HE2 PHE A 23 3.709 6.663 2.150 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.764 7.461 -0.000 1.00 0.00 H new ATOM 358 N LYS A 24 7.788 9.202 3.327 1.00 0.00 N ATOM 359 CA LYS A 24 8.416 7.928 3.014 1.00 0.00 C ATOM 360 C LYS A 24 7.651 6.821 3.725 1.00 0.00 C ATOM 361 O LYS A 24 7.211 7.010 4.855 1.00 0.00 O ATOM 362 CB LYS A 24 9.892 8.014 3.429 1.00 0.00 C ATOM 363 CG LYS A 24 10.507 6.639 3.668 1.00 0.00 C ATOM 364 CD LYS A 24 11.987 6.557 3.367 1.00 0.00 C ATOM 365 CE LYS A 24 12.382 5.115 3.686 1.00 0.00 C ATOM 366 NZ LYS A 24 13.341 4.533 2.729 1.00 0.00 N ATOM 0 H LYS A 24 7.653 9.348 4.327 1.00 0.00 H new ATOM 0 HA LYS A 24 8.386 7.699 1.949 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.456 8.532 2.653 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.978 8.611 4.337 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.344 6.357 4.708 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.982 5.908 3.053 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.191 6.799 2.324 1.00 0.00 H new ATOM 0 HD3 LYS A 24 12.552 7.264 3.975 1.00 0.00 H new ATOM 0 HE2 LYS A 24 12.815 5.080 4.686 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.483 4.498 3.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.561 3.556 3.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 12.925 4.534 1.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 14.214 5.098 2.726 1.00 0.00 H new ATOM 380 N LEU A 25 7.537 5.654 3.094 1.00 0.00 N ATOM 381 CA LEU A 25 7.009 4.449 3.725 1.00 0.00 C ATOM 382 C LEU A 25 8.139 3.743 4.464 1.00 0.00 C ATOM 383 O LEU A 25 9.270 3.725 3.972 1.00 0.00 O ATOM 384 CB LEU A 25 6.422 3.472 2.690 1.00 0.00 C ATOM 385 CG LEU A 25 5.474 4.134 1.673 1.00 0.00 C ATOM 386 CD1 LEU A 25 6.210 4.474 0.367 1.00 0.00 C ATOM 387 CD2 LEU A 25 4.280 3.227 1.384 1.00 0.00 C ATOM 0 H LEU A 25 7.812 5.518 2.121 1.00 0.00 H new ATOM 0 HA LEU A 25 6.214 4.749 4.407 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.240 2.994 2.151 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.882 2.683 3.215 1.00 0.00 H new ATOM 0 HG LEU A 25 5.112 5.064 2.111 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.515 4.940 -0.332 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.028 5.163 0.579 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.610 3.561 -0.074 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.621 3.711 0.663 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.633 2.281 0.974 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.733 3.041 2.308 1.00 0.00 H new ATOM 399 N THR A 26 7.834 3.066 5.562 1.00 0.00 N ATOM 400 CA THR A 26 8.732 2.144 6.242 1.00 0.00 C ATOM 401 C THR A 26 7.939 0.882 6.611 1.00 0.00 C ATOM 402 O THR A 26 6.730 0.820 6.393 1.00 0.00 O ATOM 403 CB THR A 26 9.404 2.838 7.445 1.00 0.00 C ATOM 404 OG1 THR A 26 8.481 3.292 8.412 1.00 0.00 O ATOM 405 CG2 THR A 26 10.290 4.022 7.042 1.00 0.00 C ATOM 0 H THR A 26 6.925 3.146 6.019 1.00 0.00 H new ATOM 0 HA THR A 26 9.552 1.837 5.592 1.00 0.00 H new ATOM 0 HB THR A 26 10.025 2.055 7.880 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.855 3.921 7.997 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.732 4.466 7.934 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.082 3.675 6.378 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.687 4.769 6.527 1.00 0.00 H new ATOM 413 N CYS A 27 8.606 -0.155 7.113 1.00 0.00 N ATOM 414 CA CYS A 27 8.023 -1.376 7.656 1.00 0.00 C ATOM 415 C CYS A 27 9.199 -2.148 8.280 1.00 0.00 C ATOM 416 O CYS A 27 10.370 -1.809 8.059 1.00 0.00 O ATOM 417 CB CYS A 27 7.315 -2.161 6.531 1.00 0.00 C ATOM 418 SG CYS A 27 6.589 -3.741 7.056 1.00 0.00 S ATOM 0 H CYS A 27 9.625 -0.164 7.153 1.00 0.00 H new ATOM 0 HA CYS A 27 7.258 -1.189 8.410 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.528 -1.536 6.109 1.00 0.00 H new ATOM 0 HB3 CYS A 27 8.032 -2.353 5.732 1.00 0.00 H new ATOM 0 HG CYS A 27 6.385 -4.492 6.015 1.00 0.00 H new ATOM 424 N SER A 28 8.904 -3.219 9.015 1.00 0.00 N ATOM 425 CA SER A 28 9.893 -4.209 9.415 1.00 0.00 C ATOM 426 C SER A 28 10.564 -4.819 8.177 1.00 0.00 C ATOM 427 O SER A 28 11.792 -4.951 8.114 1.00 0.00 O ATOM 428 CB SER A 28 9.189 -5.266 10.280 1.00 0.00 C ATOM 429 OG SER A 28 8.028 -5.779 9.640 1.00 0.00 O ATOM 0 H SER A 28 7.963 -3.422 9.351 1.00 0.00 H new ATOM 0 HA SER A 28 10.687 -3.750 10.003 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.879 -6.083 10.491 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.912 -4.827 11.239 1.00 0.00 H new ATOM 0 HG SER A 28 7.606 -6.450 10.217 1.00 0.00 H new ATOM 435 N ASN A 29 9.755 -5.165 7.168 1.00 0.00 N ATOM 436 CA ASN A 29 10.254 -5.638 5.889 1.00 0.00 C ATOM 437 C ASN A 29 10.771 -4.449 5.090 1.00 0.00 C ATOM 438 O ASN A 29 9.980 -3.697 4.513 1.00 0.00 O ATOM 439 CB ASN A 29 9.190 -6.395 5.090 1.00 0.00 C ATOM 440 CG ASN A 29 9.902 -7.144 3.974 1.00 0.00 C ATOM 441 OD1 ASN A 29 10.400 -6.556 3.029 1.00 0.00 O ATOM 442 ND2 ASN A 29 10.044 -8.440 4.119 1.00 0.00 N ATOM 0 H ASN A 29 8.737 -5.122 7.224 1.00 0.00 H new ATOM 0 HA ASN A 29 11.061 -6.345 6.080 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.649 -7.089 5.733 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.455 -5.703 4.679 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.579 -8.974 3.434 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.620 -8.913 4.917 1.00 0.00 H new ATOM 449 N THR A 30 12.089 -4.262 5.073 1.00 0.00 N ATOM 450 CA THR A 30 12.709 -3.191 4.314 1.00 0.00 C ATOM 451 C THR A 30 12.422 -3.347 2.824 1.00 0.00 C ATOM 452 O THR A 30 11.900 -2.401 2.248 1.00 0.00 O ATOM 453 CB THR A 30 14.205 -3.095 4.636 1.00 0.00 C ATOM 454 OG1 THR A 30 14.812 -4.373 4.699 1.00 0.00 O ATOM 455 CG2 THR A 30 14.388 -2.449 6.006 1.00 0.00 C ATOM 0 H THR A 30 12.750 -4.848 5.584 1.00 0.00 H new ATOM 0 HA THR A 30 12.268 -2.240 4.612 1.00 0.00 H new ATOM 0 HB THR A 30 14.668 -2.508 3.842 1.00 0.00 H new ATOM 0 HG1 THR A 30 15.765 -4.273 4.904 1.00 0.00 H new ATOM 0 HG21 THR A 30 15.451 -2.380 6.237 1.00 0.00 H new ATOM 0 HG22 THR A 30 13.953 -1.450 5.998 1.00 0.00 H new ATOM 0 HG23 THR A 30 13.891 -3.055 6.763 1.00 0.00 H new ATOM 463 N LYS A 31 12.679 -4.517 2.214 1.00 0.00 N ATOM 464 CA LYS A 31 12.449 -4.758 0.783 1.00 0.00 C ATOM 465 C LYS A 31 11.087 -4.233 0.362 1.00 0.00 C ATOM 466 O LYS A 31 11.029 -3.449 -0.580 1.00 0.00 O ATOM 467 CB LYS A 31 12.599 -6.254 0.428 1.00 0.00 C ATOM 468 CG LYS A 31 12.025 -6.661 -0.952 1.00 0.00 C ATOM 469 CD LYS A 31 12.836 -6.160 -2.148 1.00 0.00 C ATOM 470 CE LYS A 31 14.030 -7.080 -2.425 1.00 0.00 C ATOM 471 NZ LYS A 31 14.640 -6.803 -3.740 1.00 0.00 N ATOM 0 H LYS A 31 13.055 -5.327 2.706 1.00 0.00 H new ATOM 0 HA LYS A 31 13.213 -4.213 0.228 1.00 0.00 H new ATOM 0 HB2 LYS A 31 13.657 -6.514 0.455 1.00 0.00 H new ATOM 0 HB3 LYS A 31 12.105 -6.846 1.199 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.964 -7.748 -1.000 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.007 -6.281 -1.034 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.198 -6.111 -3.030 1.00 0.00 H new ATOM 0 HD3 LYS A 31 13.190 -5.147 -1.954 1.00 0.00 H new ATOM 0 HE2 LYS A 31 14.778 -6.951 -1.643 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.705 -8.120 -2.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 15.444 -7.445 -3.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.933 -6.951 -4.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 14.973 -5.818 -3.768 1.00 0.00 H new ATOM 485 N PHE A 32 10.012 -4.668 1.022 1.00 0.00 N ATOM 486 CA PHE A 32 8.664 -4.292 0.635 1.00 0.00 C ATOM 487 C PHE A 32 8.516 -2.770 0.585 1.00 0.00 C ATOM 488 O PHE A 32 8.156 -2.222 -0.456 1.00 0.00 O ATOM 489 CB PHE A 32 7.676 -4.910 1.621 1.00 0.00 C ATOM 490 CG PHE A 32 6.217 -4.767 1.224 1.00 0.00 C ATOM 491 CD1 PHE A 32 5.761 -5.277 -0.010 1.00 0.00 C ATOM 492 CD2 PHE A 32 5.311 -4.131 2.096 1.00 0.00 C ATOM 493 CE1 PHE A 32 4.411 -5.100 -0.381 1.00 0.00 C ATOM 494 CE2 PHE A 32 3.956 -4.015 1.745 1.00 0.00 C ATOM 495 CZ PHE A 32 3.504 -4.500 0.506 1.00 0.00 C ATOM 0 H PHE A 32 10.057 -5.286 1.832 1.00 0.00 H new ATOM 0 HA PHE A 32 8.454 -4.669 -0.366 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.907 -5.969 1.732 1.00 0.00 H new ATOM 0 HB3 PHE A 32 7.820 -4.449 2.598 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.441 -5.800 -0.667 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.660 -3.732 3.037 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.074 -5.428 -1.353 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.260 -3.552 2.429 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.462 -4.411 0.237 1.00 0.00 H new ATOM 505 N ALA A 33 8.805 -2.083 1.696 1.00 0.00 N ATOM 506 CA ALA A 33 8.660 -0.637 1.770 1.00 0.00 C ATOM 507 C ALA A 33 9.622 0.071 0.810 1.00 0.00 C ATOM 508 O ALA A 33 9.301 1.136 0.294 1.00 0.00 O ATOM 509 CB ALA A 33 8.894 -0.169 3.211 1.00 0.00 C ATOM 0 H ALA A 33 9.142 -2.514 2.557 1.00 0.00 H new ATOM 0 HA ALA A 33 7.646 -0.376 1.467 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.785 0.914 3.264 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.164 -0.640 3.870 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.900 -0.448 3.525 1.00 0.00 H new ATOM 515 N ASP A 34 10.808 -0.484 0.590 1.00 0.00 N ATOM 516 CA ASP A 34 11.879 0.120 -0.208 1.00 0.00 C ATOM 517 C ASP A 34 11.508 0.073 -1.690 1.00 0.00 C ATOM 518 O ASP A 34 11.624 1.080 -2.391 1.00 0.00 O ATOM 519 CB ASP A 34 13.210 -0.595 0.063 1.00 0.00 C ATOM 520 CG ASP A 34 14.391 0.089 -0.622 1.00 0.00 C ATOM 521 OD1 ASP A 34 15.038 0.956 0.018 1.00 0.00 O ATOM 522 OD2 ASP A 34 14.746 -0.287 -1.761 1.00 0.00 O ATOM 0 H ASP A 34 11.063 -1.395 0.972 1.00 0.00 H new ATOM 0 HA ASP A 34 12.001 1.165 0.078 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.388 -0.630 1.138 1.00 0.00 H new ATOM 0 HB3 ASP A 34 13.142 -1.627 -0.282 1.00 0.00 H new ATOM 527 N ASP A 35 10.967 -1.056 -2.150 1.00 0.00 N ATOM 528 CA ASP A 35 10.420 -1.229 -3.493 1.00 0.00 C ATOM 529 C ASP A 35 9.241 -0.277 -3.712 1.00 0.00 C ATOM 530 O ASP A 35 9.122 0.311 -4.786 1.00 0.00 O ATOM 531 CB ASP A 35 9.917 -2.669 -3.717 1.00 0.00 C ATOM 532 CG ASP A 35 10.714 -3.496 -4.723 1.00 0.00 C ATOM 533 OD1 ASP A 35 11.110 -2.944 -5.779 1.00 0.00 O ATOM 534 OD2 ASP A 35 10.821 -4.731 -4.558 1.00 0.00 O ATOM 0 H ASP A 35 10.896 -1.899 -1.580 1.00 0.00 H new ATOM 0 HA ASP A 35 11.224 -1.013 -4.196 1.00 0.00 H new ATOM 0 HB2 ASP A 35 9.923 -3.190 -2.760 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.880 -2.625 -4.050 1.00 0.00 H new ATOM 539 N LEU A 36 8.356 -0.134 -2.719 1.00 0.00 N ATOM 540 CA LEU A 36 7.204 0.768 -2.766 1.00 0.00 C ATOM 541 C LEU A 36 7.671 2.223 -2.865 1.00 0.00 C ATOM 542 O LEU A 36 7.171 2.971 -3.708 1.00 0.00 O ATOM 543 CB LEU A 36 6.303 0.537 -1.536 1.00 0.00 C ATOM 544 CG LEU A 36 5.119 -0.433 -1.753 1.00 0.00 C ATOM 545 CD1 LEU A 36 5.438 -1.725 -2.516 1.00 0.00 C ATOM 546 CD2 LEU A 36 4.549 -0.842 -0.389 1.00 0.00 C ATOM 0 H LEU A 36 8.424 -0.653 -1.844 1.00 0.00 H new ATOM 0 HA LEU A 36 6.613 0.554 -3.657 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.919 0.155 -0.722 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.907 1.499 -1.211 1.00 0.00 H new ATOM 0 HG LEU A 36 4.418 0.127 -2.372 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.533 -2.326 -2.608 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.812 -1.478 -3.510 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.196 -2.290 -1.973 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.713 -1.526 -0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.325 -1.336 0.196 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.203 0.045 0.142 1.00 0.00 H new ATOM 558 N ASN A 37 8.676 2.619 -2.073 1.00 0.00 N ATOM 559 CA ASN A 37 9.294 3.937 -2.161 1.00 0.00 C ATOM 560 C ASN A 37 9.865 4.174 -3.566 1.00 0.00 C ATOM 561 O ASN A 37 9.822 5.299 -4.070 1.00 0.00 O ATOM 562 CB ASN A 37 10.401 4.072 -1.109 1.00 0.00 C ATOM 563 CG ASN A 37 9.902 4.574 0.239 1.00 0.00 C ATOM 564 OD1 ASN A 37 9.615 5.748 0.433 1.00 0.00 O ATOM 565 ND2 ASN A 37 9.811 3.691 1.212 1.00 0.00 N ATOM 0 H ASN A 37 9.082 2.025 -1.350 1.00 0.00 H new ATOM 0 HA ASN A 37 8.530 4.691 -1.969 1.00 0.00 H new ATOM 0 HB2 ASN A 37 10.880 3.103 -0.972 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.164 4.755 -1.482 1.00 0.00 H new ATOM 0 HD21 ASN A 37 9.499 3.983 2.138 1.00 0.00 H new ATOM 0 HD22 ASN A 37 10.053 2.715 1.039 1.00 0.00 H new ATOM 572 N GLN A 38 10.375 3.123 -4.215 1.00 0.00 N ATOM 573 CA GLN A 38 10.928 3.160 -5.549 1.00 0.00 C ATOM 574 C GLN A 38 9.855 3.500 -6.578 1.00 0.00 C ATOM 575 O GLN A 38 10.130 4.259 -7.508 1.00 0.00 O ATOM 576 CB GLN A 38 11.571 1.795 -5.837 1.00 0.00 C ATOM 577 CG GLN A 38 13.064 1.909 -6.084 1.00 0.00 C ATOM 578 CD GLN A 38 13.319 2.658 -7.381 1.00 0.00 C ATOM 579 OE1 GLN A 38 12.972 2.195 -8.462 1.00 0.00 O ATOM 580 NE2 GLN A 38 13.851 3.860 -7.297 1.00 0.00 N ATOM 0 H GLN A 38 10.410 2.192 -3.799 1.00 0.00 H new ATOM 0 HA GLN A 38 11.684 3.942 -5.618 1.00 0.00 H new ATOM 0 HB2 GLN A 38 11.393 1.126 -4.995 1.00 0.00 H new ATOM 0 HB3 GLN A 38 11.093 1.346 -6.708 1.00 0.00 H new ATOM 0 HG2 GLN A 38 13.540 2.430 -5.253 1.00 0.00 H new ATOM 0 HG3 GLN A 38 13.510 0.916 -6.134 1.00 0.00 H new ATOM 0 HE21 GLN A 38 14.134 4.230 -6.390 1.00 0.00 H new ATOM 0 HE22 GLN A 38 13.980 4.421 -8.139 1.00 0.00 H new ATOM 589 N MET A 39 8.638 2.970 -6.419 1.00 0.00 N ATOM 590 CA MET A 39 7.581 3.208 -7.373 1.00 0.00 C ATOM 591 C MET A 39 7.133 4.665 -7.322 1.00 0.00 C ATOM 592 O MET A 39 6.914 5.274 -8.365 1.00 0.00 O ATOM 593 CB MET A 39 6.391 2.315 -7.059 1.00 0.00 C ATOM 594 CG MET A 39 6.706 0.818 -7.085 1.00 0.00 C ATOM 595 SD MET A 39 5.491 -0.172 -6.173 1.00 0.00 S ATOM 596 CE MET A 39 4.011 0.510 -6.946 1.00 0.00 C ATOM 0 H MET A 39 8.373 2.375 -5.634 1.00 0.00 H new ATOM 0 HA MET A 39 7.962 2.983 -8.369 1.00 0.00 H new ATOM 0 HB2 MET A 39 6.005 2.577 -6.074 1.00 0.00 H new ATOM 0 HB3 MET A 39 5.597 2.520 -7.777 1.00 0.00 H new ATOM 0 HG2 MET A 39 6.743 0.477 -8.120 1.00 0.00 H new ATOM 0 HG3 MET A 39 7.696 0.652 -6.660 1.00 0.00 H new ATOM 0 HE1 MET A 39 3.135 -0.041 -6.603 1.00 0.00 H new ATOM 0 HE2 MET A 39 3.909 1.560 -6.673 1.00 0.00 H new ATOM 0 HE3 MET A 39 4.093 0.423 -8.029 1.00 0.00 H new ATOM 606 N THR A 40 6.990 5.231 -6.121 1.00 0.00 N ATOM 607 CA THR A 40 6.604 6.627 -5.977 1.00 0.00 C ATOM 608 C THR A 40 7.765 7.562 -6.341 1.00 0.00 C ATOM 609 O THR A 40 7.491 8.703 -6.705 1.00 0.00 O ATOM 610 CB THR A 40 6.000 6.863 -4.583 1.00 0.00 C ATOM 611 OG1 THR A 40 5.336 8.108 -4.503 1.00 0.00 O ATOM 612 CG2 THR A 40 6.994 6.692 -3.435 1.00 0.00 C ATOM 0 H THR A 40 7.137 4.741 -5.239 1.00 0.00 H new ATOM 0 HA THR A 40 5.817 6.872 -6.691 1.00 0.00 H new ATOM 0 HB THR A 40 5.262 6.071 -4.456 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.967 8.797 -4.207 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.489 6.876 -2.486 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.390 5.677 -3.445 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.813 7.402 -3.554 1.00 0.00 H new ATOM 620 N GLY A 41 9.022 7.097 -6.331 1.00 0.00 N ATOM 621 CA GLY A 41 10.176 7.888 -6.755 1.00 0.00 C ATOM 622 C GLY A 41 10.884 8.605 -5.599 1.00 0.00 C ATOM 623 O GLY A 41 11.760 9.438 -5.847 1.00 0.00 O ATOM 0 H GLY A 41 9.264 6.154 -6.026 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.889 7.235 -7.258 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.850 8.628 -7.486 1.00 0.00 H new ATOM 627 N PHE A 42 10.540 8.260 -4.352 1.00 0.00 N ATOM 628 CA PHE A 42 10.955 8.917 -3.112 1.00 0.00 C ATOM 629 C PHE A 42 12.434 9.330 -3.116 1.00 0.00 C ATOM 630 O PHE A 42 13.303 8.545 -3.514 1.00 0.00 O ATOM 631 CB PHE A 42 10.668 7.958 -1.942 1.00 0.00 C ATOM 632 CG PHE A 42 11.529 8.210 -0.725 1.00 0.00 C ATOM 633 CD1 PHE A 42 11.346 9.362 0.061 1.00 0.00 C ATOM 634 CD2 PHE A 42 12.601 7.340 -0.458 1.00 0.00 C ATOM 635 CE1 PHE A 42 12.253 9.648 1.086 1.00 0.00 C ATOM 636 CE2 PHE A 42 13.479 7.606 0.603 1.00 0.00 C ATOM 637 CZ PHE A 42 13.292 8.755 1.385 1.00 0.00 C ATOM 0 H PHE A 42 9.926 7.465 -4.174 1.00 0.00 H new ATOM 0 HA PHE A 42 10.387 9.842 -3.008 1.00 0.00 H new ATOM 0 HB2 PHE A 42 9.619 8.048 -1.659 1.00 0.00 H new ATOM 0 HB3 PHE A 42 10.821 6.933 -2.278 1.00 0.00 H new ATOM 0 HD1 PHE A 42 10.511 10.021 -0.126 1.00 0.00 H new ATOM 0 HD2 PHE A 42 12.749 6.464 -1.072 1.00 0.00 H new ATOM 0 HE1 PHE A 42 12.153 10.563 1.651 1.00 0.00 H new ATOM 0 HE2 PHE A 42 14.294 6.930 0.816 1.00 0.00 H new ATOM 0 HZ PHE A 42 13.949 8.952 2.219 1.00 0.00 H new ATOM 647 N THR A 43 12.730 10.517 -2.578 1.00 0.00 N ATOM 648 CA THR A 43 14.076 11.014 -2.335 1.00 0.00 C ATOM 649 C THR A 43 14.060 11.727 -0.981 1.00 0.00 C ATOM 650 O THR A 43 13.035 12.246 -0.540 1.00 0.00 O ATOM 651 CB THR A 43 14.446 11.927 -3.511 1.00 0.00 C ATOM 652 OG1 THR A 43 14.490 11.174 -4.714 1.00 0.00 O ATOM 653 CG2 THR A 43 15.802 12.611 -3.358 1.00 0.00 C ATOM 0 H THR A 43 12.008 11.178 -2.291 1.00 0.00 H new ATOM 0 HA THR A 43 14.832 10.230 -2.282 1.00 0.00 H new ATOM 0 HB THR A 43 13.675 12.697 -3.533 1.00 0.00 H new ATOM 0 HG1 THR A 43 14.725 11.764 -5.461 1.00 0.00 H new ATOM 0 HG21 THR A 43 15.993 13.239 -4.228 1.00 0.00 H new ATOM 0 HG22 THR A 43 15.799 13.227 -2.459 1.00 0.00 H new ATOM 0 HG23 THR A 43 16.584 11.856 -3.277 1.00 0.00 H new ATOM 661 N LYS A 44 15.191 11.701 -0.277 1.00 0.00 N ATOM 662 CA LYS A 44 15.343 12.343 1.015 1.00 0.00 C ATOM 663 C LYS A 44 15.702 13.821 0.840 1.00 0.00 C ATOM 664 O LYS A 44 16.222 14.212 -0.205 1.00 0.00 O ATOM 665 CB LYS A 44 16.473 11.629 1.776 1.00 0.00 C ATOM 666 CG LYS A 44 15.931 10.488 2.634 1.00 0.00 C ATOM 667 CD LYS A 44 16.730 10.274 3.914 1.00 0.00 C ATOM 668 CE LYS A 44 16.270 8.981 4.585 1.00 0.00 C ATOM 669 NZ LYS A 44 16.410 9.050 6.048 1.00 0.00 N ATOM 0 H LYS A 44 16.035 11.226 -0.598 1.00 0.00 H new ATOM 0 HA LYS A 44 14.406 12.279 1.568 1.00 0.00 H new ATOM 0 HB2 LYS A 44 17.202 11.238 1.066 1.00 0.00 H new ATOM 0 HB3 LYS A 44 16.997 12.345 2.409 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.892 10.696 2.891 1.00 0.00 H new ATOM 0 HG3 LYS A 44 15.937 9.567 2.050 1.00 0.00 H new ATOM 0 HD2 LYS A 44 17.795 10.221 3.687 1.00 0.00 H new ATOM 0 HD3 LYS A 44 16.590 11.118 4.590 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.229 8.787 4.327 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.854 8.144 4.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.089 8.156 6.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.408 9.210 6.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.833 9.833 6.415 1.00 0.00 H new ATOM 683 N PRO A 45 15.578 14.610 1.914 1.00 0.00 N ATOM 684 CA PRO A 45 15.054 14.162 3.191 1.00 0.00 C ATOM 685 C PRO A 45 13.557 13.879 3.087 1.00 0.00 C ATOM 686 O PRO A 45 12.818 14.634 2.453 1.00 0.00 O ATOM 687 CB PRO A 45 15.344 15.285 4.161 1.00 0.00 C ATOM 688 CG PRO A 45 15.337 16.528 3.272 1.00 0.00 C ATOM 689 CD PRO A 45 15.938 16.016 1.968 1.00 0.00 C ATOM 0 HA PRO A 45 15.514 13.230 3.521 1.00 0.00 H new ATOM 0 HB2 PRO A 45 14.588 15.346 4.944 1.00 0.00 H new ATOM 0 HB3 PRO A 45 16.305 15.150 4.657 1.00 0.00 H new ATOM 0 HG2 PRO A 45 14.329 16.916 3.127 1.00 0.00 H new ATOM 0 HG3 PRO A 45 15.931 17.335 3.701 1.00 0.00 H new ATOM 0 HD2 PRO A 45 15.540 16.558 1.110 1.00 0.00 H new ATOM 0 HD3 PRO A 45 17.020 16.147 1.954 1.00 0.00 H new ATOM 697 N ALA A 46 13.119 12.741 3.643 1.00 0.00 N ATOM 698 CA ALA A 46 11.697 12.516 3.734 1.00 0.00 C ATOM 699 C ALA A 46 11.145 13.551 4.729 1.00 0.00 C ATOM 700 O ALA A 46 11.723 13.709 5.809 1.00 0.00 O ATOM 701 CB ALA A 46 11.379 11.093 4.200 1.00 0.00 C ATOM 0 H ALA A 46 13.711 11.999 4.018 1.00 0.00 H new ATOM 0 HA ALA A 46 11.234 12.627 2.753 1.00 0.00 H new ATOM 0 HB1 ALA A 46 10.298 10.962 4.256 1.00 0.00 H new ATOM 0 HB2 ALA A 46 11.795 10.377 3.492 1.00 0.00 H new ATOM 0 HB3 ALA A 46 11.817 10.926 5.184 1.00 0.00 H new ATOM 707 N SER A 47 10.058 14.246 4.404 1.00 0.00 N ATOM 708 CA SER A 47 9.494 15.286 5.268 1.00 0.00 C ATOM 709 C SER A 47 8.707 14.683 6.441 1.00 0.00 C ATOM 710 O SER A 47 8.408 15.366 7.426 1.00 0.00 O ATOM 711 CB SER A 47 8.600 16.202 4.429 1.00 0.00 C ATOM 712 OG SER A 47 8.482 17.480 5.024 1.00 0.00 O ATOM 0 H SER A 47 9.542 14.106 3.535 1.00 0.00 H new ATOM 0 HA SER A 47 10.311 15.865 5.698 1.00 0.00 H new ATOM 0 HB2 SER A 47 9.015 16.301 3.426 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.612 15.754 4.323 1.00 0.00 H new ATOM 0 HG SER A 47 7.907 18.048 4.469 1.00 0.00 H new ATOM 718 N ARG A 48 8.354 13.403 6.350 1.00 0.00 N ATOM 719 CA ARG A 48 7.843 12.559 7.418 1.00 0.00 C ATOM 720 C ARG A 48 8.083 11.117 6.990 1.00 0.00 C ATOM 721 O ARG A 48 8.350 10.859 5.812 1.00 0.00 O ATOM 722 CB ARG A 48 6.346 12.831 7.690 1.00 0.00 C ATOM 723 CG ARG A 48 5.428 12.878 6.455 1.00 0.00 C ATOM 724 CD ARG A 48 4.113 12.106 6.652 1.00 0.00 C ATOM 725 NE ARG A 48 3.327 12.568 7.809 1.00 0.00 N ATOM 726 CZ ARG A 48 2.513 13.632 7.856 1.00 0.00 C ATOM 727 NH1 ARG A 48 2.399 14.474 6.832 1.00 0.00 N ATOM 728 NH2 ARG A 48 1.812 13.863 8.959 1.00 0.00 N ATOM 0 H ARG A 48 8.424 12.897 5.467 1.00 0.00 H new ATOM 0 HA ARG A 48 8.356 12.772 8.356 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.974 12.059 8.364 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.261 13.782 8.217 1.00 0.00 H new ATOM 0 HG2 ARG A 48 5.200 13.917 6.218 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.960 12.465 5.598 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.507 12.200 5.751 1.00 0.00 H new ATOM 0 HD3 ARG A 48 4.338 11.047 6.776 1.00 0.00 H new ATOM 0 HE ARG A 48 3.411 12.020 8.665 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.940 14.318 5.981 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.771 15.275 6.898 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.896 13.234 9.758 1.00 0.00 H new ATOM 0 HH22 ARG A 48 1.189 14.669 9.008 1.00 0.00 H new ATOM 742 N GLU A 49 7.904 10.173 7.905 1.00 0.00 N ATOM 743 CA GLU A 49 7.801 8.766 7.561 1.00 0.00 C ATOM 744 C GLU A 49 6.440 8.266 8.035 1.00 0.00 C ATOM 745 O GLU A 49 5.891 8.764 9.021 1.00 0.00 O ATOM 746 CB GLU A 49 8.974 7.964 8.149 1.00 0.00 C ATOM 747 CG GLU A 49 10.291 8.201 7.393 1.00 0.00 C ATOM 748 CD GLU A 49 11.380 8.841 8.252 1.00 0.00 C ATOM 749 OE1 GLU A 49 12.082 8.105 8.995 1.00 0.00 O ATOM 750 OE2 GLU A 49 11.668 10.043 8.089 1.00 0.00 O ATOM 0 H GLU A 49 7.827 10.363 8.904 1.00 0.00 H new ATOM 0 HA GLU A 49 7.869 8.627 6.482 1.00 0.00 H new ATOM 0 HB2 GLU A 49 9.107 8.236 9.196 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.731 6.902 8.124 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.656 7.249 7.008 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.096 8.840 6.532 1.00 0.00 H new ATOM 757 N LEU A 50 5.901 7.292 7.314 1.00 0.00 N ATOM 758 CA LEU A 50 4.781 6.450 7.693 1.00 0.00 C ATOM 759 C LEU A 50 5.336 5.029 7.787 1.00 0.00 C ATOM 760 O LEU A 50 6.467 4.769 7.366 1.00 0.00 O ATOM 761 CB LEU A 50 3.659 6.514 6.640 1.00 0.00 C ATOM 762 CG LEU A 50 3.118 7.909 6.290 1.00 0.00 C ATOM 763 CD1 LEU A 50 2.089 7.794 5.162 1.00 0.00 C ATOM 764 CD2 LEU A 50 2.458 8.573 7.495 1.00 0.00 C ATOM 0 H LEU A 50 6.260 7.056 6.389 1.00 0.00 H new ATOM 0 HA LEU A 50 4.347 6.779 8.637 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.026 6.052 5.724 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.827 5.905 6.993 1.00 0.00 H new ATOM 0 HG LEU A 50 3.962 8.523 5.975 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.707 8.785 4.916 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.561 7.358 4.282 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.265 7.157 5.485 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.087 9.558 7.210 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.627 7.958 7.839 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.188 8.678 8.298 1.00 0.00 H new ATOM 776 N SER A 51 4.545 4.084 8.281 1.00 0.00 N ATOM 777 CA SER A 51 4.956 2.694 8.402 1.00 0.00 C ATOM 778 C SER A 51 3.806 1.783 8.020 1.00 0.00 C ATOM 779 O SER A 51 2.663 2.236 7.867 1.00 0.00 O ATOM 780 CB SER A 51 5.478 2.453 9.824 1.00 0.00 C ATOM 781 OG SER A 51 6.447 1.425 9.856 1.00 0.00 O ATOM 0 H SER A 51 3.596 4.263 8.610 1.00 0.00 H new ATOM 0 HA SER A 51 5.770 2.464 7.714 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.911 3.374 10.214 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.646 2.190 10.478 1.00 0.00 H new ATOM 0 HG SER A 51 7.268 1.735 9.420 1.00 0.00 H new ATOM 787 N VAL A 52 4.124 0.510 7.820 1.00 0.00 N ATOM 788 CA VAL A 52 3.196 -0.503 7.367 1.00 0.00 C ATOM 789 C VAL A 52 3.384 -1.721 8.291 1.00 0.00 C ATOM 790 O VAL A 52 4.397 -1.862 8.984 1.00 0.00 O ATOM 791 CB VAL A 52 3.451 -0.777 5.864 1.00 0.00 C ATOM 792 CG1 VAL A 52 2.277 -1.539 5.227 1.00 0.00 C ATOM 793 CG2 VAL A 52 3.639 0.460 4.967 1.00 0.00 C ATOM 0 H VAL A 52 5.065 0.149 7.975 1.00 0.00 H new ATOM 0 HA VAL A 52 2.150 -0.202 7.432 1.00 0.00 H new ATOM 0 HB VAL A 52 4.385 -1.339 5.895 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.487 -1.715 4.172 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.145 -2.494 5.735 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.366 -0.948 5.321 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.810 0.141 3.939 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.744 1.080 5.010 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.496 1.035 5.316 1.00 0.00 H new ATOM 803 N THR A 53 2.387 -2.597 8.340 1.00 0.00 N ATOM 804 CA THR A 53 2.377 -3.862 9.077 1.00 0.00 C ATOM 805 C THR A 53 1.775 -4.923 8.146 1.00 0.00 C ATOM 806 O THR A 53 1.296 -4.573 7.063 1.00 0.00 O ATOM 807 CB THR A 53 1.596 -3.680 10.400 1.00 0.00 C ATOM 808 OG1 THR A 53 0.498 -2.797 10.233 1.00 0.00 O ATOM 809 CG2 THR A 53 2.481 -3.083 11.494 1.00 0.00 C ATOM 0 H THR A 53 1.513 -2.437 7.839 1.00 0.00 H new ATOM 0 HA THR A 53 3.377 -4.188 9.363 1.00 0.00 H new ATOM 0 HB THR A 53 1.252 -4.674 10.686 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.026 -3.071 9.452 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.901 -2.969 12.410 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.326 -3.746 11.680 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.848 -2.108 11.173 1.00 0.00 H new ATOM 817 N PHE A 54 1.754 -6.203 8.521 1.00 0.00 N ATOM 818 CA PHE A 54 1.128 -7.269 7.739 1.00 0.00 C ATOM 819 C PHE A 54 0.134 -7.988 8.631 1.00 0.00 C ATOM 820 O PHE A 54 0.506 -8.340 9.752 1.00 0.00 O ATOM 821 CB PHE A 54 2.189 -8.250 7.243 1.00 0.00 C ATOM 822 CG PHE A 54 3.198 -7.651 6.291 1.00 0.00 C ATOM 823 CD1 PHE A 54 2.835 -7.355 4.966 1.00 0.00 C ATOM 824 CD2 PHE A 54 4.513 -7.412 6.722 1.00 0.00 C ATOM 825 CE1 PHE A 54 3.807 -6.917 4.051 1.00 0.00 C ATOM 826 CE2 PHE A 54 5.467 -6.914 5.823 1.00 0.00 C ATOM 827 CZ PHE A 54 5.125 -6.684 4.479 1.00 0.00 C ATOM 0 H PHE A 54 2.177 -6.532 9.389 1.00 0.00 H new ATOM 0 HA PHE A 54 0.620 -6.848 6.871 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.718 -8.659 8.104 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.692 -9.084 6.748 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.808 -7.464 4.651 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.790 -7.612 7.747 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.541 -6.759 3.016 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.470 -6.706 6.165 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.869 -6.331 3.781 1.00 0.00 H new ATOM 837 N PHE A 55 -1.106 -8.190 8.158 1.00 0.00 N ATOM 838 CA PHE A 55 -2.168 -8.743 8.973 1.00 0.00 C ATOM 839 C PHE A 55 -1.656 -10.071 9.587 1.00 0.00 C ATOM 840 O PHE A 55 -0.862 -10.786 8.964 1.00 0.00 O ATOM 841 CB PHE A 55 -3.415 -8.955 8.085 1.00 0.00 C ATOM 842 CG PHE A 55 -4.683 -8.284 8.587 1.00 0.00 C ATOM 843 CD1 PHE A 55 -4.774 -6.880 8.650 1.00 0.00 C ATOM 844 CD2 PHE A 55 -5.787 -9.062 8.982 1.00 0.00 C ATOM 845 CE1 PHE A 55 -5.963 -6.267 9.080 1.00 0.00 C ATOM 846 CE2 PHE A 55 -6.973 -8.447 9.418 1.00 0.00 C ATOM 847 CZ PHE A 55 -7.064 -7.049 9.462 1.00 0.00 C ATOM 0 H PHE A 55 -1.387 -7.971 7.202 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.449 -8.072 9.785 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.197 -8.583 7.084 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.600 -10.025 7.994 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -3.927 -6.273 8.367 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.722 -10.140 8.950 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -6.030 -5.190 9.117 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -7.815 -9.052 9.719 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.978 -6.575 9.789 1.00 0.00 H new ATOM 857 N PRO A 56 -2.163 -10.472 10.756 1.00 0.00 N ATOM 858 CA PRO A 56 -3.116 -9.724 11.545 1.00 0.00 C ATOM 859 C PRO A 56 -2.540 -8.467 12.214 1.00 0.00 C ATOM 860 O PRO A 56 -3.321 -7.767 12.852 1.00 0.00 O ATOM 861 CB PRO A 56 -3.600 -10.732 12.592 1.00 0.00 C ATOM 862 CG PRO A 56 -2.342 -11.550 12.872 1.00 0.00 C ATOM 863 CD PRO A 56 -1.685 -11.629 11.495 1.00 0.00 C ATOM 0 HA PRO A 56 -3.910 -9.329 10.911 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -3.970 -10.238 13.490 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.411 -11.353 12.212 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -1.696 -11.063 13.602 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.580 -12.538 13.265 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -0.598 -11.616 11.580 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.954 -12.555 10.987 1.00 0.00 H new ATOM 871 N ASP A 57 -1.244 -8.151 12.084 1.00 0.00 N ATOM 872 CA ASP A 57 -0.677 -6.900 12.582 1.00 0.00 C ATOM 873 C ASP A 57 -1.121 -5.755 11.682 1.00 0.00 C ATOM 874 O ASP A 57 -0.999 -5.833 10.458 1.00 0.00 O ATOM 875 CB ASP A 57 0.854 -6.952 12.609 1.00 0.00 C ATOM 876 CG ASP A 57 1.439 -5.904 13.551 1.00 0.00 C ATOM 877 OD1 ASP A 57 0.886 -4.794 13.686 1.00 0.00 O ATOM 878 OD2 ASP A 57 2.449 -6.238 14.212 1.00 0.00 O ATOM 0 H ASP A 57 -0.563 -8.759 11.630 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.033 -6.746 13.601 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.179 -7.944 12.922 1.00 0.00 H new ATOM 0 HB3 ASP A 57 1.241 -6.793 11.603 1.00 0.00 H new ATOM 883 N LEU A 58 -1.673 -4.702 12.270 1.00 0.00 N ATOM 884 CA LEU A 58 -2.290 -3.590 11.587 1.00 0.00 C ATOM 885 C LEU A 58 -2.041 -2.274 12.319 1.00 0.00 C ATOM 886 O LEU A 58 -2.802 -1.321 12.173 1.00 0.00 O ATOM 887 CB LEU A 58 -3.763 -3.950 11.422 1.00 0.00 C ATOM 888 CG LEU A 58 -4.607 -4.103 12.701 1.00 0.00 C ATOM 889 CD1 LEU A 58 -5.792 -4.993 12.293 1.00 0.00 C ATOM 890 CD2 LEU A 58 -4.006 -4.657 13.998 1.00 0.00 C ATOM 0 H LEU A 58 -1.700 -4.602 13.285 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.853 -3.422 10.603 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.229 -3.184 10.802 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.820 -4.887 10.868 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.813 -3.077 13.006 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.443 -5.149 13.153 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.355 -4.507 11.496 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.420 -5.955 11.940 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.772 -4.680 14.773 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.635 -5.667 13.825 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.183 -4.018 14.320 1.00 0.00 H new ATOM 902 N ASN A 59 -1.000 -2.251 13.151 1.00 0.00 N ATOM 903 CA ASN A 59 -0.620 -1.131 14.010 1.00 0.00 C ATOM 904 C ASN A 59 0.198 -0.075 13.284 1.00 0.00 C ATOM 905 O ASN A 59 0.334 1.041 13.780 1.00 0.00 O ATOM 906 CB ASN A 59 0.190 -1.650 15.194 1.00 0.00 C ATOM 907 CG ASN A 59 -0.694 -2.544 16.032 1.00 0.00 C ATOM 908 OD1 ASN A 59 -1.535 -2.084 16.800 1.00 0.00 O ATOM 909 ND2 ASN A 59 -0.629 -3.831 15.766 1.00 0.00 N ATOM 0 H ASN A 59 -0.371 -3.048 13.249 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.546 -0.660 14.341 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.061 -2.203 14.842 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.561 -0.818 15.792 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.288 -4.476 16.202 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.081 -4.184 15.124 1.00 0.00 H new ATOM 916 N GLY A 60 0.736 -0.420 12.119 1.00 0.00 N ATOM 917 CA GLY A 60 1.359 0.547 11.223 1.00 0.00 C ATOM 918 C GLY A 60 0.333 1.597 10.781 1.00 0.00 C ATOM 919 O GLY A 60 -0.881 1.368 10.853 1.00 0.00 O ATOM 0 H GLY A 60 0.752 -1.378 11.769 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.195 1.034 11.726 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.766 0.036 10.351 1.00 0.00 H new ATOM 923 N ASP A 61 0.816 2.746 10.299 1.00 0.00 N ATOM 924 CA ASP A 61 -0.014 3.849 9.805 1.00 0.00 C ATOM 925 C ASP A 61 -0.917 3.374 8.666 1.00 0.00 C ATOM 926 O ASP A 61 -2.061 3.812 8.526 1.00 0.00 O ATOM 927 CB ASP A 61 0.883 4.992 9.292 1.00 0.00 C ATOM 928 CG ASP A 61 0.228 6.354 9.501 1.00 0.00 C ATOM 929 OD1 ASP A 61 -0.634 6.732 8.678 1.00 0.00 O ATOM 930 OD2 ASP A 61 0.604 7.045 10.483 1.00 0.00 O ATOM 0 H ASP A 61 1.816 2.939 10.240 1.00 0.00 H new ATOM 0 HA ASP A 61 -0.633 4.206 10.628 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.841 4.965 9.811 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.090 4.846 8.232 1.00 0.00 H new ATOM 935 N VAL A 62 -0.380 2.448 7.872 1.00 0.00 N ATOM 936 CA VAL A 62 -1.006 1.784 6.748 1.00 0.00 C ATOM 937 C VAL A 62 -0.962 0.282 7.051 1.00 0.00 C ATOM 938 O VAL A 62 -0.126 -0.198 7.823 1.00 0.00 O ATOM 939 CB VAL A 62 -0.244 2.180 5.462 1.00 0.00 C ATOM 940 CG1 VAL A 62 -0.806 1.533 4.185 1.00 0.00 C ATOM 941 CG2 VAL A 62 -0.219 3.710 5.267 1.00 0.00 C ATOM 0 H VAL A 62 0.576 2.124 8.016 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.045 2.073 6.593 1.00 0.00 H new ATOM 0 HB VAL A 62 0.767 1.802 5.612 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.221 1.858 3.325 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.751 0.448 4.273 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.845 1.834 4.051 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.325 3.952 4.354 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.240 4.084 5.191 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.276 4.177 6.118 1.00 0.00 H new ATOM 951 N VAL A 63 -1.865 -0.470 6.436 1.00 0.00 N ATOM 952 CA VAL A 63 -2.072 -1.882 6.698 1.00 0.00 C ATOM 953 C VAL A 63 -1.858 -2.627 5.368 1.00 0.00 C ATOM 954 O VAL A 63 -1.785 -2.001 4.307 1.00 0.00 O ATOM 955 CB VAL A 63 -3.482 -2.038 7.327 1.00 0.00 C ATOM 956 CG1 VAL A 63 -3.673 -3.370 8.056 1.00 0.00 C ATOM 957 CG2 VAL A 63 -3.805 -0.964 8.384 1.00 0.00 C ATOM 0 H VAL A 63 -2.491 -0.100 5.720 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.372 -2.316 7.412 1.00 0.00 H new ATOM 0 HB VAL A 63 -4.139 -1.955 6.461 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -4.679 -3.416 8.473 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.533 -4.192 7.354 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.943 -3.452 8.861 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.806 -1.134 8.782 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.078 -1.021 9.194 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.760 0.024 7.925 1.00 0.00 H new ATOM 967 N ALA A 64 -1.729 -3.953 5.399 1.00 0.00 N ATOM 968 CA ALA A 64 -1.555 -4.807 4.234 1.00 0.00 C ATOM 969 C ALA A 64 -2.543 -5.970 4.321 1.00 0.00 C ATOM 970 O ALA A 64 -3.024 -6.306 5.405 1.00 0.00 O ATOM 971 CB ALA A 64 -0.101 -5.281 4.155 1.00 0.00 C ATOM 0 H ALA A 64 -1.744 -4.478 6.273 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.764 -4.257 3.317 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.026 -5.920 3.281 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.559 -4.418 4.072 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.148 -5.843 5.055 1.00 0.00 H new ATOM 977 N ILE A 65 -2.863 -6.575 3.182 1.00 0.00 N ATOM 978 CA ILE A 65 -3.734 -7.724 3.023 1.00 0.00 C ATOM 979 C ILE A 65 -3.058 -8.667 2.035 1.00 0.00 C ATOM 980 O ILE A 65 -2.518 -8.232 1.016 1.00 0.00 O ATOM 981 CB ILE A 65 -5.143 -7.284 2.572 1.00 0.00 C ATOM 982 CG1 ILE A 65 -5.945 -6.827 3.799 1.00 0.00 C ATOM 983 CG2 ILE A 65 -5.947 -8.337 1.796 1.00 0.00 C ATOM 984 CD1 ILE A 65 -6.353 -7.903 4.830 1.00 0.00 C ATOM 0 H ILE A 65 -2.494 -6.250 2.288 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.883 -8.246 3.968 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.982 -6.471 1.864 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.360 -6.069 4.319 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.854 -6.341 3.444 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.920 -7.926 1.527 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.407 -8.613 0.890 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.086 -9.221 2.419 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.913 -7.436 5.641 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.976 -8.654 4.345 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.459 -8.378 5.233 1.00 0.00 H new ATOM 996 N ASP A 66 -3.065 -9.960 2.338 1.00 0.00 N ATOM 997 CA ASP A 66 -2.552 -10.968 1.425 1.00 0.00 C ATOM 998 C ASP A 66 -3.364 -10.945 0.127 1.00 0.00 C ATOM 999 O ASP A 66 -4.598 -10.886 0.158 1.00 0.00 O ATOM 1000 CB ASP A 66 -2.591 -12.362 2.057 1.00 0.00 C ATOM 1001 CG ASP A 66 -2.007 -13.380 1.080 1.00 0.00 C ATOM 1002 OD1 ASP A 66 -0.837 -13.221 0.672 1.00 0.00 O ATOM 1003 OD2 ASP A 66 -2.704 -14.334 0.668 1.00 0.00 O ATOM 0 H ASP A 66 -3.424 -10.334 3.216 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.510 -10.736 1.203 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.023 -12.367 2.987 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.617 -12.630 2.309 1.00 0.00 H new ATOM 1008 N TYR A 67 -2.665 -11.037 -1.004 1.00 0.00 N ATOM 1009 CA TYR A 67 -3.156 -10.980 -2.383 1.00 0.00 C ATOM 1010 C TYR A 67 -4.354 -11.895 -2.668 1.00 0.00 C ATOM 1011 O TYR A 67 -5.080 -11.658 -3.631 1.00 0.00 O ATOM 1012 CB TYR A 67 -1.962 -11.300 -3.300 1.00 0.00 C ATOM 1013 CG TYR A 67 -2.277 -11.838 -4.685 1.00 0.00 C ATOM 1014 CD1 TYR A 67 -2.459 -13.223 -4.863 1.00 0.00 C ATOM 1015 CD2 TYR A 67 -2.386 -10.970 -5.788 1.00 0.00 C ATOM 1016 CE1 TYR A 67 -2.789 -13.739 -6.125 1.00 0.00 C ATOM 1017 CE2 TYR A 67 -2.704 -11.481 -7.063 1.00 0.00 C ATOM 1018 CZ TYR A 67 -2.921 -12.869 -7.229 1.00 0.00 C ATOM 1019 OH TYR A 67 -3.272 -13.391 -8.437 1.00 0.00 O ATOM 0 H TYR A 67 -1.653 -11.164 -0.978 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.547 -9.980 -2.572 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -1.372 -10.391 -3.417 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.330 -12.027 -2.791 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.344 -13.892 -4.023 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.226 -9.910 -5.657 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.942 -14.801 -6.252 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.782 -10.815 -7.910 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.325 -12.672 -9.101 1.00 0.00 H new ATOM 1029 N ARG A 68 -4.632 -12.896 -1.826 1.00 0.00 N ATOM 1030 CA ARG A 68 -5.783 -13.786 -1.961 1.00 0.00 C ATOM 1031 C ARG A 68 -7.135 -13.073 -2.069 1.00 0.00 C ATOM 1032 O ARG A 68 -8.098 -13.724 -2.471 1.00 0.00 O ATOM 1033 CB ARG A 68 -5.779 -14.760 -0.774 1.00 0.00 C ATOM 1034 CG ARG A 68 -6.328 -14.153 0.533 1.00 0.00 C ATOM 1035 CD ARG A 68 -5.801 -14.944 1.721 1.00 0.00 C ATOM 1036 NE ARG A 68 -6.394 -14.569 3.006 1.00 0.00 N ATOM 1037 CZ ARG A 68 -5.910 -14.960 4.190 1.00 0.00 C ATOM 1038 NH1 ARG A 68 -4.831 -15.738 4.271 1.00 0.00 N ATOM 1039 NH2 ARG A 68 -6.557 -14.611 5.289 1.00 0.00 N ATOM 0 H ARG A 68 -4.050 -13.112 -1.017 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.673 -14.311 -2.910 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.373 -15.637 -1.034 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -4.759 -15.105 -0.603 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -6.027 -13.109 0.616 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.418 -14.171 0.525 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.983 -16.004 1.546 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.721 -14.811 1.780 1.00 0.00 H new ATOM 0 HE ARG A 68 -7.224 -13.976 2.998 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.359 -16.046 3.421 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.477 -16.026 5.183 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.409 -14.054 5.224 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.204 -14.899 6.202 1.00 0.00 H new ATOM 1053 N HIS A 69 -7.242 -11.802 -1.675 1.00 0.00 N ATOM 1054 CA HIS A 69 -8.462 -11.011 -1.785 1.00 0.00 C ATOM 1055 C HIS A 69 -8.415 -10.025 -2.967 1.00 0.00 C ATOM 1056 O HIS A 69 -9.324 -9.207 -3.067 1.00 0.00 O ATOM 1057 CB HIS A 69 -8.720 -10.251 -0.470 1.00 0.00 C ATOM 1058 CG HIS A 69 -9.004 -11.050 0.776 1.00 0.00 C ATOM 1059 ND1 HIS A 69 -9.340 -12.382 0.890 1.00 0.00 N ATOM 1060 CD2 HIS A 69 -9.021 -10.515 2.034 1.00 0.00 C ATOM 1061 CE1 HIS A 69 -9.525 -12.646 2.196 1.00 0.00 C ATOM 1062 NE2 HIS A 69 -9.327 -11.539 2.931 1.00 0.00 N ATOM 0 H HIS A 69 -6.465 -11.287 -1.262 1.00 0.00 H new ATOM 0 HA HIS A 69 -9.282 -11.704 -1.974 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.850 -9.625 -0.272 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -9.564 -9.581 -0.634 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -8.831 -9.483 2.288 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -9.795 -13.612 2.597 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -9.388 -11.462 3.946 1.00 0.00 H new ATOM 1070 N TYR A 70 -7.402 -10.033 -3.847 1.00 0.00 N ATOM 1071 CA TYR A 70 -7.300 -9.084 -4.962 1.00 0.00 C ATOM 1072 C TYR A 70 -8.303 -9.423 -6.073 1.00 0.00 C ATOM 1073 O TYR A 70 -7.932 -9.844 -7.173 1.00 0.00 O ATOM 1074 CB TYR A 70 -5.855 -8.976 -5.490 1.00 0.00 C ATOM 1075 CG TYR A 70 -5.601 -7.985 -6.632 1.00 0.00 C ATOM 1076 CD1 TYR A 70 -6.579 -7.066 -7.080 1.00 0.00 C ATOM 1077 CD2 TYR A 70 -4.358 -8.026 -7.292 1.00 0.00 C ATOM 1078 CE1 TYR A 70 -6.318 -6.223 -8.174 1.00 0.00 C ATOM 1079 CE2 TYR A 70 -4.088 -7.196 -8.394 1.00 0.00 C ATOM 1080 CZ TYR A 70 -5.076 -6.292 -8.842 1.00 0.00 C ATOM 1081 OH TYR A 70 -4.866 -5.530 -9.952 1.00 0.00 O ATOM 0 H TYR A 70 -6.631 -10.699 -3.804 1.00 0.00 H new ATOM 0 HA TYR A 70 -7.565 -8.097 -4.583 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.209 -8.703 -4.655 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -5.542 -9.965 -5.825 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -7.533 -7.012 -6.578 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -3.597 -8.709 -6.945 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -7.069 -5.521 -8.504 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -3.132 -7.249 -8.894 1.00 0.00 H new ATOM 0 HH TYR A 70 -3.962 -5.691 -10.293 1.00 0.00 H new ATOM 1091 N SER A 71 -9.578 -9.156 -5.812 1.00 0.00 N ATOM 1092 CA SER A 71 -10.632 -9.225 -6.795 1.00 0.00 C ATOM 1093 C SER A 71 -10.502 -8.109 -7.824 1.00 0.00 C ATOM 1094 O SER A 71 -9.974 -7.027 -7.539 1.00 0.00 O ATOM 1095 CB SER A 71 -11.994 -9.083 -6.107 1.00 0.00 C ATOM 1096 OG SER A 71 -12.132 -9.901 -4.964 1.00 0.00 O ATOM 0 H SER A 71 -9.906 -8.880 -4.887 1.00 0.00 H new ATOM 0 HA SER A 71 -10.551 -10.189 -7.297 1.00 0.00 H new ATOM 0 HB2 SER A 71 -12.141 -8.042 -5.820 1.00 0.00 H new ATOM 0 HB3 SER A 71 -12.781 -9.331 -6.820 1.00 0.00 H new ATOM 0 HG SER A 71 -13.019 -9.765 -4.569 1.00 0.00 H new ATOM 1102 N ALA A 72 -11.126 -8.314 -8.986 1.00 0.00 N ATOM 1103 CA ALA A 72 -11.316 -7.260 -9.976 1.00 0.00 C ATOM 1104 C ALA A 72 -12.142 -6.083 -9.426 1.00 0.00 C ATOM 1105 O ALA A 72 -12.047 -4.980 -9.968 1.00 0.00 O ATOM 1106 CB ALA A 72 -11.944 -7.862 -11.234 1.00 0.00 C ATOM 0 H ALA A 72 -11.512 -9.216 -9.264 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.343 -6.841 -10.231 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -12.089 -7.079 -11.979 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -11.284 -8.630 -11.638 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.907 -8.307 -10.983 1.00 0.00 H new ATOM 1112 N SER A 73 -12.889 -6.272 -8.331 1.00 0.00 N ATOM 1113 CA SER A 73 -13.612 -5.224 -7.614 1.00 0.00 C ATOM 1114 C SER A 73 -12.695 -4.083 -7.167 1.00 0.00 C ATOM 1115 O SER A 73 -13.172 -2.969 -6.958 1.00 0.00 O ATOM 1116 CB SER A 73 -14.273 -5.819 -6.358 1.00 0.00 C ATOM 1117 OG SER A 73 -14.729 -7.142 -6.599 1.00 0.00 O ATOM 0 H SER A 73 -13.008 -7.193 -7.908 1.00 0.00 H new ATOM 0 HA SER A 73 -14.355 -4.823 -8.304 1.00 0.00 H new ATOM 0 HB2 SER A 73 -13.559 -5.821 -5.534 1.00 0.00 H new ATOM 0 HB3 SER A 73 -15.111 -5.192 -6.052 1.00 0.00 H new ATOM 0 HG SER A 73 -15.143 -7.498 -5.786 1.00 0.00 H new ATOM 1123 N PHE A 74 -11.401 -4.360 -6.981 1.00 0.00 N ATOM 1124 CA PHE A 74 -10.468 -3.482 -6.294 1.00 0.00 C ATOM 1125 C PHE A 74 -9.398 -2.927 -7.248 1.00 0.00 C ATOM 1126 O PHE A 74 -8.352 -2.463 -6.794 1.00 0.00 O ATOM 1127 CB PHE A 74 -9.834 -4.272 -5.141 1.00 0.00 C ATOM 1128 CG PHE A 74 -10.793 -4.970 -4.171 1.00 0.00 C ATOM 1129 CD1 PHE A 74 -11.732 -4.242 -3.406 1.00 0.00 C ATOM 1130 CD2 PHE A 74 -10.705 -6.363 -3.986 1.00 0.00 C ATOM 1131 CE1 PHE A 74 -12.533 -4.897 -2.447 1.00 0.00 C ATOM 1132 CE2 PHE A 74 -11.543 -7.018 -3.064 1.00 0.00 C ATOM 1133 CZ PHE A 74 -12.452 -6.286 -2.293 1.00 0.00 C ATOM 0 H PHE A 74 -10.970 -5.222 -7.314 1.00 0.00 H new ATOM 0 HA PHE A 74 -11.002 -2.616 -5.903 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -9.175 -5.027 -5.569 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -9.207 -3.590 -4.567 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -11.837 -3.178 -3.556 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.988 -6.934 -4.557 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -13.210 -4.325 -1.830 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -11.484 -8.090 -2.951 1.00 0.00 H new ATOM 0 HZ PHE A 74 -13.089 -6.791 -1.582 1.00 0.00 H new ATOM 1143 N LYS A 75 -9.600 -2.993 -8.571 1.00 0.00 N ATOM 1144 CA LYS A 75 -8.583 -2.720 -9.590 1.00 0.00 C ATOM 1145 C LYS A 75 -7.989 -1.324 -9.415 1.00 0.00 C ATOM 1146 O LYS A 75 -6.768 -1.178 -9.485 1.00 0.00 O ATOM 1147 CB LYS A 75 -9.192 -3.010 -10.986 1.00 0.00 C ATOM 1148 CG LYS A 75 -9.054 -1.963 -12.094 1.00 0.00 C ATOM 1149 CD LYS A 75 -7.645 -1.762 -12.662 1.00 0.00 C ATOM 1150 CE LYS A 75 -7.495 -0.315 -13.130 1.00 0.00 C ATOM 1151 NZ LYS A 75 -6.331 -0.130 -14.020 1.00 0.00 N ATOM 0 H LYS A 75 -10.503 -3.246 -8.971 1.00 0.00 H new ATOM 0 HA LYS A 75 -7.726 -3.384 -9.479 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.747 -3.935 -11.352 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.256 -3.201 -10.846 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.717 -2.241 -12.913 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.408 -1.007 -11.708 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -6.897 -1.991 -11.902 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.474 -2.446 -13.494 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -8.401 -0.009 -13.653 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.393 0.336 -12.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -6.271 0.867 -14.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.462 -0.396 -13.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.439 -0.730 -14.862 1.00 0.00 H new ATOM 1165 N LYS A 76 -8.819 -0.304 -9.190 1.00 0.00 N ATOM 1166 CA LYS A 76 -8.360 1.072 -8.991 1.00 0.00 C ATOM 1167 C LYS A 76 -8.055 1.399 -7.530 1.00 0.00 C ATOM 1168 O LYS A 76 -7.587 2.495 -7.239 1.00 0.00 O ATOM 1169 CB LYS A 76 -9.368 2.055 -9.584 1.00 0.00 C ATOM 1170 CG LYS A 76 -9.421 1.909 -11.108 1.00 0.00 C ATOM 1171 CD LYS A 76 -10.119 3.104 -11.751 1.00 0.00 C ATOM 1172 CE LYS A 76 -10.404 2.806 -13.219 1.00 0.00 C ATOM 1173 NZ LYS A 76 -11.060 3.944 -13.899 1.00 0.00 N ATOM 0 H LYS A 76 -9.832 -0.409 -9.140 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.412 1.173 -9.520 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.356 1.873 -9.160 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.090 3.075 -9.319 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.409 1.819 -11.503 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.948 0.992 -11.370 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.050 3.319 -11.226 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.493 3.992 -11.665 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.470 2.569 -13.729 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.040 1.924 -13.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.236 3.699 -14.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.964 4.155 -13.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.442 4.779 -13.852 1.00 0.00 H new ATOM 1187 N GLY A 77 -8.258 0.453 -6.619 1.00 0.00 N ATOM 1188 CA GLY A 77 -7.810 0.538 -5.242 1.00 0.00 C ATOM 1189 C GLY A 77 -8.873 0.080 -4.258 1.00 0.00 C ATOM 1190 O GLY A 77 -10.051 -0.063 -4.608 1.00 0.00 O ATOM 0 H GLY A 77 -8.752 -0.415 -6.828 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.915 -0.071 -5.116 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -7.529 1.567 -5.017 1.00 0.00 H new ATOM 1194 N ALA A 78 -8.456 -0.152 -3.011 1.00 0.00 N ATOM 1195 CA ALA A 78 -9.311 -0.582 -1.916 1.00 0.00 C ATOM 1196 C ALA A 78 -8.717 -0.150 -0.573 1.00 0.00 C ATOM 1197 O ALA A 78 -7.550 0.257 -0.511 1.00 0.00 O ATOM 1198 CB ALA A 78 -9.457 -2.096 -1.960 1.00 0.00 C ATOM 0 H ALA A 78 -7.481 -0.040 -2.733 1.00 0.00 H new ATOM 0 HA ALA A 78 -10.291 -0.117 -2.022 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -10.097 -2.424 -1.141 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -9.903 -2.391 -2.910 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -8.475 -2.559 -1.861 1.00 0.00 H new ATOM 1204 N LYS A 79 -9.524 -0.254 0.482 1.00 0.00 N ATOM 1205 CA LYS A 79 -9.270 0.135 1.866 1.00 0.00 C ATOM 1206 C LYS A 79 -9.972 -0.888 2.771 1.00 0.00 C ATOM 1207 O LYS A 79 -10.717 -1.734 2.279 1.00 0.00 O ATOM 1208 CB LYS A 79 -9.809 1.560 2.119 1.00 0.00 C ATOM 1209 CG LYS A 79 -11.281 1.701 1.694 1.00 0.00 C ATOM 1210 CD LYS A 79 -12.069 2.778 2.445 1.00 0.00 C ATOM 1211 CE LYS A 79 -13.562 2.409 2.472 1.00 0.00 C ATOM 1212 NZ LYS A 79 -14.032 2.102 3.844 1.00 0.00 N ATOM 0 H LYS A 79 -10.458 -0.650 0.378 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.201 0.146 2.079 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.712 1.802 3.177 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -9.202 2.280 1.570 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.316 1.923 0.627 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.779 0.742 1.837 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -11.691 2.875 3.463 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.933 3.745 1.961 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -14.147 3.233 2.064 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -13.734 1.547 1.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.982 1.681 3.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.377 1.431 4.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -14.067 2.978 4.403 1.00 0.00 H new ATOM 1226 N LEU A 80 -9.750 -0.816 4.080 1.00 0.00 N ATOM 1227 CA LEU A 80 -10.387 -1.677 5.068 1.00 0.00 C ATOM 1228 C LEU A 80 -11.526 -0.872 5.702 1.00 0.00 C ATOM 1229 O LEU A 80 -12.044 0.078 5.096 1.00 0.00 O ATOM 1230 CB LEU A 80 -9.291 -2.170 6.044 1.00 0.00 C ATOM 1231 CG LEU A 80 -9.544 -3.443 6.869 1.00 0.00 C ATOM 1232 CD1 LEU A 80 -10.075 -4.623 6.054 1.00 0.00 C ATOM 1233 CD2 LEU A 80 -8.244 -3.877 7.561 1.00 0.00 C ATOM 0 H LEU A 80 -9.106 -0.140 4.492 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.840 -2.578 4.655 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.382 -2.329 5.464 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -9.085 -1.360 6.744 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.318 -3.179 7.590 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -10.226 -5.480 6.710 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -11.023 -4.348 5.591 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.355 -4.883 5.278 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.426 -4.779 8.145 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.481 -4.079 6.809 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.900 -3.081 8.221 1.00 0.00 H new ATOM 1245 N LEU A 81 -11.901 -1.254 6.924 1.00 0.00 N ATOM 1246 CA LEU A 81 -12.957 -0.656 7.725 1.00 0.00 C ATOM 1247 C LEU A 81 -12.823 0.864 7.720 1.00 0.00 C ATOM 1248 O LEU A 81 -13.653 1.569 7.145 1.00 0.00 O ATOM 1249 CB LEU A 81 -12.916 -1.261 9.138 1.00 0.00 C ATOM 1250 CG LEU A 81 -14.249 -1.112 9.901 1.00 0.00 C ATOM 1251 CD1 LEU A 81 -14.662 -2.443 10.537 1.00 0.00 C ATOM 1252 CD2 LEU A 81 -14.171 -0.036 10.988 1.00 0.00 C ATOM 0 H LEU A 81 -11.448 -2.032 7.403 1.00 0.00 H new ATOM 0 HA LEU A 81 -13.936 -0.879 7.300 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.662 -2.319 9.066 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -12.122 -0.780 9.709 1.00 0.00 H new ATOM 0 HG LEU A 81 -14.997 -0.807 9.170 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -15.604 -2.315 11.070 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -14.785 -3.196 9.758 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -13.891 -2.767 11.236 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -15.131 0.035 11.499 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -13.396 -0.301 11.707 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -13.931 0.925 10.532 1.00 0.00 H new ATOM 1264 N HIS A 82 -11.733 1.355 8.311 1.00 0.00 N ATOM 1265 CA HIS A 82 -11.403 2.787 8.343 1.00 0.00 C ATOM 1266 C HIS A 82 -9.975 3.093 7.869 1.00 0.00 C ATOM 1267 O HIS A 82 -9.677 4.241 7.524 1.00 0.00 O ATOM 1268 CB HIS A 82 -11.663 3.355 9.750 1.00 0.00 C ATOM 1269 CG HIS A 82 -10.786 2.790 10.843 1.00 0.00 C ATOM 1270 ND1 HIS A 82 -9.815 3.463 11.554 1.00 0.00 N ATOM 1271 CD2 HIS A 82 -10.855 1.521 11.350 1.00 0.00 C ATOM 1272 CE1 HIS A 82 -9.325 2.617 12.471 1.00 0.00 C ATOM 1273 NE2 HIS A 82 -9.905 1.408 12.367 1.00 0.00 N ATOM 0 H HIS A 82 -11.047 0.768 8.786 1.00 0.00 H new ATOM 0 HA HIS A 82 -12.060 3.284 7.629 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -11.527 4.436 9.719 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -12.705 3.172 10.011 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -11.527 0.742 11.021 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -8.566 2.872 13.196 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -9.694 0.577 12.919 1.00 0.00 H new ATOM 1281 N LYS A 83 -9.091 2.090 7.821 1.00 0.00 N ATOM 1282 CA LYS A 83 -7.679 2.268 7.487 1.00 0.00 C ATOM 1283 C LYS A 83 -7.374 1.816 6.061 1.00 0.00 C ATOM 1284 O LYS A 83 -8.132 1.021 5.502 1.00 0.00 O ATOM 1285 CB LYS A 83 -6.821 1.484 8.485 1.00 0.00 C ATOM 1286 CG LYS A 83 -6.749 2.205 9.844 1.00 0.00 C ATOM 1287 CD LYS A 83 -5.311 2.427 10.328 1.00 0.00 C ATOM 1288 CE LYS A 83 -4.695 1.078 10.712 1.00 0.00 C ATOM 1289 NZ LYS A 83 -4.222 1.035 12.104 1.00 0.00 N ATOM 0 H LYS A 83 -9.342 1.121 8.016 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.444 3.330 7.549 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.238 0.486 8.621 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -5.816 1.358 8.084 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -7.253 3.168 9.765 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.291 1.621 10.588 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -4.720 2.900 9.544 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -5.303 3.101 11.185 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -5.435 0.292 10.561 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -3.861 0.863 10.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -3.626 0.194 12.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -3.667 1.890 12.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -5.038 0.990 12.747 1.00 0.00 H new ATOM 1303 N PRO A 84 -6.270 2.294 5.468 1.00 0.00 N ATOM 1304 CA PRO A 84 -5.884 1.919 4.118 1.00 0.00 C ATOM 1305 C PRO A 84 -5.143 0.571 4.095 1.00 0.00 C ATOM 1306 O PRO A 84 -4.486 0.215 5.076 1.00 0.00 O ATOM 1307 CB PRO A 84 -5.007 3.086 3.663 1.00 0.00 C ATOM 1308 CG PRO A 84 -4.333 3.590 4.936 1.00 0.00 C ATOM 1309 CD PRO A 84 -5.350 3.280 6.030 1.00 0.00 C ATOM 0 HA PRO A 84 -6.734 1.763 3.454 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -4.270 2.763 2.927 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -5.603 3.869 3.195 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -3.385 3.083 5.115 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -4.118 4.657 4.880 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -4.857 2.889 6.920 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -5.883 4.181 6.332 1.00 0.00 H new ATOM 1317 N ILE A 85 -5.206 -0.148 2.963 1.00 0.00 N ATOM 1318 CA ILE A 85 -4.626 -1.495 2.785 1.00 0.00 C ATOM 1319 C ILE A 85 -3.658 -1.500 1.599 1.00 0.00 C ATOM 1320 O ILE A 85 -3.687 -0.575 0.773 1.00 0.00 O ATOM 1321 CB ILE A 85 -5.721 -2.595 2.635 1.00 0.00 C ATOM 1322 CG1 ILE A 85 -6.443 -2.579 1.260 1.00 0.00 C ATOM 1323 CG2 ILE A 85 -6.782 -2.415 3.714 1.00 0.00 C ATOM 1324 CD1 ILE A 85 -6.046 -3.741 0.343 1.00 0.00 C ATOM 0 H ILE A 85 -5.672 0.197 2.124 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.069 -1.740 3.689 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.197 -3.547 2.728 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.520 -2.609 1.425 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -6.224 -1.638 0.755 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.545 -3.186 3.606 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.319 -2.499 4.697 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.242 -1.432 3.612 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.590 -3.664 -0.598 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.974 -3.700 0.147 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.291 -4.686 0.827 1.00 0.00 H new ATOM 1336 N VAL A 86 -2.889 -2.577 1.440 1.00 0.00 N ATOM 1337 CA VAL A 86 -2.114 -2.880 0.235 1.00 0.00 C ATOM 1338 C VAL A 86 -2.214 -4.374 -0.038 1.00 0.00 C ATOM 1339 O VAL A 86 -2.511 -5.133 0.881 1.00 0.00 O ATOM 1340 CB VAL A 86 -0.638 -2.440 0.355 1.00 0.00 C ATOM 1341 CG1 VAL A 86 -0.551 -0.929 0.509 1.00 0.00 C ATOM 1342 CG2 VAL A 86 0.165 -3.090 1.485 1.00 0.00 C ATOM 0 H VAL A 86 -2.784 -3.284 2.167 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.531 -2.314 -0.598 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.183 -2.786 -0.573 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.494 -0.631 0.593 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.997 -0.448 -0.362 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.088 -0.623 1.407 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.185 -2.707 1.473 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.300 -2.856 2.443 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.182 -4.171 1.344 1.00 0.00 H new ATOM 1352 N TRP A 87 -1.949 -4.812 -1.268 1.00 0.00 N ATOM 1353 CA TRP A 87 -1.714 -6.220 -1.540 1.00 0.00 C ATOM 1354 C TRP A 87 -0.273 -6.532 -1.156 1.00 0.00 C ATOM 1355 O TRP A 87 0.638 -5.769 -1.503 1.00 0.00 O ATOM 1356 CB TRP A 87 -1.960 -6.522 -3.024 1.00 0.00 C ATOM 1357 CG TRP A 87 -3.290 -6.068 -3.537 1.00 0.00 C ATOM 1358 CD1 TRP A 87 -3.493 -5.157 -4.515 1.00 0.00 C ATOM 1359 CD2 TRP A 87 -4.611 -6.408 -3.030 1.00 0.00 C ATOM 1360 NE1 TRP A 87 -4.847 -4.928 -4.667 1.00 0.00 N ATOM 1361 CE2 TRP A 87 -5.574 -5.641 -3.746 1.00 0.00 C ATOM 1362 CE3 TRP A 87 -5.093 -7.246 -2.005 1.00 0.00 C ATOM 1363 CZ2 TRP A 87 -6.937 -5.687 -3.448 1.00 0.00 C ATOM 1364 CZ3 TRP A 87 -6.466 -7.310 -1.717 1.00 0.00 C ATOM 1365 CH2 TRP A 87 -7.392 -6.535 -2.432 1.00 0.00 C ATOM 0 H TRP A 87 -1.893 -4.208 -2.088 1.00 0.00 H new ATOM 0 HA TRP A 87 -2.397 -6.842 -0.961 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -1.176 -6.047 -3.613 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -1.871 -7.597 -3.183 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -2.714 -4.680 -5.091 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -5.253 -4.311 -5.370 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -4.399 -7.846 -1.435 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -7.635 -5.073 -3.997 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -6.815 -7.966 -0.933 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -8.445 -6.592 -2.200 1.00 0.00 H new ATOM 1376 N HIS A 88 -0.070 -7.669 -0.493 1.00 0.00 N ATOM 1377 CA HIS A 88 1.237 -8.266 -0.295 1.00 0.00 C ATOM 1378 C HIS A 88 1.184 -9.750 -0.636 1.00 0.00 C ATOM 1379 O HIS A 88 0.118 -10.362 -0.686 1.00 0.00 O ATOM 1380 CB HIS A 88 1.761 -7.971 1.114 1.00 0.00 C ATOM 1381 CG HIS A 88 1.213 -8.814 2.218 1.00 0.00 C ATOM 1382 ND1 HIS A 88 0.073 -8.589 2.931 1.00 0.00 N flip ATOM 1383 CD2 HIS A 88 1.916 -9.808 2.844 1.00 0.00 C flip ATOM 1384 CE1 HIS A 88 0.103 -9.433 4.045 1.00 0.00 C flip ATOM 1385 NE2 HIS A 88 1.243 -10.141 3.948 1.00 0.00 N flip ATOM 0 H HIS A 88 -0.828 -8.207 -0.073 1.00 0.00 H new ATOM 0 HA HIS A 88 1.960 -7.816 -0.976 1.00 0.00 H new ATOM 0 HB2 HIS A 88 2.845 -8.083 1.105 1.00 0.00 H new ATOM 0 HB3 HIS A 88 1.550 -6.927 1.345 1.00 0.00 H new ATOM 0 HD2 HIS A 88 2.845 -10.243 2.507 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -0.639 -9.503 4.826 1.00 0.00 H new ATOM 0 HE2 HIS A 88 1.551 -10.838 4.626 1.00 0.00 H new ATOM 1393 N ILE A 89 2.358 -10.317 -0.873 1.00 0.00 N ATOM 1394 CA ILE A 89 2.629 -11.697 -1.229 1.00 0.00 C ATOM 1395 C ILE A 89 3.940 -11.932 -0.505 1.00 0.00 C ATOM 1396 O ILE A 89 4.952 -11.443 -0.974 1.00 0.00 O ATOM 1397 CB ILE A 89 2.791 -11.840 -2.775 1.00 0.00 C ATOM 1398 CG1 ILE A 89 1.419 -11.761 -3.471 1.00 0.00 C ATOM 1399 CG2 ILE A 89 3.506 -13.135 -3.210 1.00 0.00 C ATOM 1400 CD1 ILE A 89 1.480 -11.766 -5.004 1.00 0.00 C ATOM 0 H ILE A 89 3.219 -9.773 -0.815 1.00 0.00 H new ATOM 0 HA ILE A 89 1.844 -12.404 -0.961 1.00 0.00 H new ATOM 0 HB ILE A 89 3.425 -11.008 -3.081 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.810 -12.603 -3.142 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.912 -10.854 -3.143 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.581 -13.162 -4.297 1.00 0.00 H new ATOM 0 HG22 ILE A 89 4.506 -13.162 -2.777 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.938 -13.998 -2.864 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.470 -11.708 -5.409 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.059 -10.909 -5.348 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.955 -12.685 -5.346 1.00 0.00 H new ATOM 1412 N ASN A 90 3.969 -12.672 0.607 1.00 0.00 N ATOM 1413 CA ASN A 90 5.238 -13.159 1.197 1.00 0.00 C ATOM 1414 C ASN A 90 6.142 -11.978 1.570 1.00 0.00 C ATOM 1415 O ASN A 90 7.373 -12.074 1.554 1.00 0.00 O ATOM 1416 CB ASN A 90 5.995 -14.156 0.279 1.00 0.00 C ATOM 1417 CG ASN A 90 5.183 -15.346 -0.190 1.00 0.00 C ATOM 1418 OD1 ASN A 90 4.087 -15.028 -0.836 1.00 0.00 O flip ATOM 1419 ND2 ASN A 90 5.520 -16.515 -0.037 1.00 0.00 N flip ATOM 0 H ASN A 90 3.134 -12.951 1.123 1.00 0.00 H new ATOM 0 HA ASN A 90 4.971 -13.711 2.098 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.357 -13.616 -0.596 1.00 0.00 H new ATOM 0 HB3 ASN A 90 6.872 -14.523 0.813 1.00 0.00 H new ATOM 0 HD21 ASN A 90 6.377 -16.737 0.469 1.00 0.00 H new ATOM 0 HD22 ASN A 90 4.943 -17.266 -0.416 1.00 0.00 H new ATOM 1426 N GLN A 91 5.496 -10.845 1.884 1.00 0.00 N ATOM 1427 CA GLN A 91 6.131 -9.574 2.182 1.00 0.00 C ATOM 1428 C GLN A 91 7.047 -9.142 1.020 1.00 0.00 C ATOM 1429 O GLN A 91 8.080 -8.519 1.256 1.00 0.00 O ATOM 1430 CB GLN A 91 6.798 -9.647 3.582 1.00 0.00 C ATOM 1431 CG GLN A 91 5.797 -10.005 4.705 1.00 0.00 C ATOM 1432 CD GLN A 91 5.237 -11.417 4.639 1.00 0.00 C ATOM 1433 OE1 GLN A 91 3.941 -11.471 4.435 1.00 0.00 O flip ATOM 1434 NE2 GLN A 91 5.919 -12.437 4.677 1.00 0.00 N flip ATOM 0 H GLN A 91 4.478 -10.798 1.936 1.00 0.00 H new ATOM 0 HA GLN A 91 5.398 -8.771 2.254 1.00 0.00 H new ATOM 0 HB2 GLN A 91 7.595 -10.390 3.561 1.00 0.00 H new ATOM 0 HB3 GLN A 91 7.263 -8.687 3.808 1.00 0.00 H new ATOM 0 HG2 GLN A 91 6.290 -9.870 5.668 1.00 0.00 H new ATOM 0 HG3 GLN A 91 4.967 -9.299 4.670 1.00 0.00 H new ATOM 0 HE21 GLN A 91 6.924 -12.373 4.837 1.00 0.00 H new ATOM 0 HE22 GLN A 91 5.480 -13.349 4.549 1.00 0.00 H new ATOM 1443 N ALA A 92 6.685 -9.470 -0.230 1.00 0.00 N ATOM 1444 CA ALA A 92 7.461 -9.149 -1.428 1.00 0.00 C ATOM 1445 C ALA A 92 6.550 -8.675 -2.563 1.00 0.00 C ATOM 1446 O ALA A 92 5.646 -9.385 -3.009 1.00 0.00 O ATOM 1447 CB ALA A 92 8.259 -10.371 -1.867 1.00 0.00 C ATOM 0 H ALA A 92 5.824 -9.977 -0.436 1.00 0.00 H new ATOM 0 HA ALA A 92 8.148 -8.337 -1.188 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.835 -10.128 -2.760 1.00 0.00 H new ATOM 0 HB2 ALA A 92 8.937 -10.669 -1.067 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.576 -11.191 -2.089 1.00 0.00 H new ATOM 1453 N THR A 93 6.754 -7.447 -3.026 1.00 0.00 N ATOM 1454 CA THR A 93 5.992 -6.851 -4.112 1.00 0.00 C ATOM 1455 C THR A 93 6.497 -7.435 -5.438 1.00 0.00 C ATOM 1456 O THR A 93 7.635 -7.214 -5.865 1.00 0.00 O ATOM 1457 CB THR A 93 5.963 -5.323 -3.961 1.00 0.00 C ATOM 1458 OG1 THR A 93 5.266 -4.709 -5.023 1.00 0.00 O ATOM 1459 CG2 THR A 93 7.328 -4.668 -3.779 1.00 0.00 C ATOM 0 H THR A 93 7.470 -6.826 -2.647 1.00 0.00 H new ATOM 0 HA THR A 93 4.934 -7.111 -4.088 1.00 0.00 H new ATOM 0 HB THR A 93 5.427 -5.157 -3.027 1.00 0.00 H new ATOM 0 HG1 THR A 93 5.265 -3.737 -4.895 1.00 0.00 H new ATOM 0 HG21 THR A 93 7.204 -3.590 -3.681 1.00 0.00 H new ATOM 0 HG22 THR A 93 7.803 -5.061 -2.881 1.00 0.00 H new ATOM 0 HG23 THR A 93 7.954 -4.884 -4.645 1.00 0.00 H new ATOM 1467 N THR A 94 5.661 -8.284 -6.034 1.00 0.00 N ATOM 1468 CA THR A 94 5.877 -8.949 -7.305 1.00 0.00 C ATOM 1469 C THR A 94 5.459 -7.999 -8.431 1.00 0.00 C ATOM 1470 O THR A 94 4.707 -7.051 -8.202 1.00 0.00 O ATOM 1471 CB THR A 94 5.052 -10.252 -7.347 1.00 0.00 C ATOM 1472 OG1 THR A 94 3.661 -10.021 -7.526 1.00 0.00 O ATOM 1473 CG2 THR A 94 5.220 -11.118 -6.097 1.00 0.00 C ATOM 0 H THR A 94 4.766 -8.536 -5.614 1.00 0.00 H new ATOM 0 HA THR A 94 6.929 -9.207 -7.430 1.00 0.00 H new ATOM 0 HB THR A 94 5.454 -10.782 -8.211 1.00 0.00 H new ATOM 0 HG1 THR A 94 3.353 -9.358 -6.873 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.612 -12.018 -6.193 1.00 0.00 H new ATOM 0 HG22 THR A 94 6.268 -11.398 -5.986 1.00 0.00 H new ATOM 0 HG23 THR A 94 4.900 -10.556 -5.219 1.00 0.00 H new ATOM 1481 N LYS A 95 5.783 -8.295 -9.691 1.00 0.00 N ATOM 1482 CA LYS A 95 5.278 -7.509 -10.816 1.00 0.00 C ATOM 1483 C LYS A 95 3.778 -7.737 -11.082 1.00 0.00 C ATOM 1484 O LYS A 95 3.249 -7.171 -12.045 1.00 0.00 O ATOM 1485 CB LYS A 95 6.183 -7.681 -12.048 1.00 0.00 C ATOM 1486 CG LYS A 95 7.531 -6.963 -11.837 1.00 0.00 C ATOM 1487 CD LYS A 95 8.299 -6.715 -13.140 1.00 0.00 C ATOM 1488 CE LYS A 95 8.811 -8.025 -13.743 1.00 0.00 C ATOM 1489 NZ LYS A 95 9.527 -7.797 -15.014 1.00 0.00 N ATOM 0 H LYS A 95 6.390 -9.070 -9.957 1.00 0.00 H new ATOM 0 HA LYS A 95 5.331 -6.454 -10.546 1.00 0.00 H new ATOM 0 HB2 LYS A 95 6.355 -8.741 -12.234 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.685 -7.279 -12.930 1.00 0.00 H new ATOM 0 HG2 LYS A 95 7.352 -6.008 -11.342 1.00 0.00 H new ATOM 0 HG3 LYS A 95 8.150 -7.559 -11.167 1.00 0.00 H new ATOM 0 HD2 LYS A 95 7.650 -6.212 -13.857 1.00 0.00 H new ATOM 0 HD3 LYS A 95 9.139 -6.048 -12.948 1.00 0.00 H new ATOM 0 HE2 LYS A 95 9.476 -8.517 -13.033 1.00 0.00 H new ATOM 0 HE3 LYS A 95 7.972 -8.700 -13.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 9.859 -8.707 -15.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 8.885 -7.350 -15.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 10.342 -7.173 -14.846 1.00 0.00 H new ATOM 1503 N THR A 96 3.075 -8.543 -10.279 1.00 0.00 N ATOM 1504 CA THR A 96 1.611 -8.559 -10.228 1.00 0.00 C ATOM 1505 C THR A 96 1.091 -7.611 -9.135 1.00 0.00 C ATOM 1506 O THR A 96 -0.001 -7.068 -9.284 1.00 0.00 O ATOM 1507 CB THR A 96 1.115 -10.001 -10.027 1.00 0.00 C ATOM 1508 OG1 THR A 96 1.601 -10.813 -11.079 1.00 0.00 O ATOM 1509 CG2 THR A 96 -0.407 -10.143 -10.011 1.00 0.00 C ATOM 0 H THR A 96 3.511 -9.208 -9.641 1.00 0.00 H new ATOM 0 HA THR A 96 1.213 -8.195 -11.175 1.00 0.00 H new ATOM 0 HB THR A 96 1.488 -10.307 -9.050 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.288 -11.733 -10.953 1.00 0.00 H new ATOM 0 HG21 THR A 96 -0.673 -11.190 -9.865 1.00 0.00 H new ATOM 0 HG22 THR A 96 -0.820 -9.547 -9.197 1.00 0.00 H new ATOM 0 HG23 THR A 96 -0.815 -9.794 -10.960 1.00 0.00 H new ATOM 1517 N THR A 97 1.854 -7.359 -8.067 1.00 0.00 N ATOM 1518 CA THR A 97 1.416 -6.559 -6.921 1.00 0.00 C ATOM 1519 C THR A 97 2.057 -5.159 -6.899 1.00 0.00 C ATOM 1520 O THR A 97 1.601 -4.299 -6.153 1.00 0.00 O ATOM 1521 CB THR A 97 1.614 -7.357 -5.619 1.00 0.00 C ATOM 1522 OG1 THR A 97 2.822 -8.097 -5.619 1.00 0.00 O ATOM 1523 CG2 THR A 97 0.492 -8.374 -5.401 1.00 0.00 C ATOM 0 H THR A 97 2.807 -7.711 -7.974 1.00 0.00 H new ATOM 0 HA THR A 97 0.348 -6.363 -7.019 1.00 0.00 H new ATOM 0 HB THR A 97 1.624 -6.606 -4.829 1.00 0.00 H new ATOM 0 HG1 THR A 97 2.906 -8.586 -4.774 1.00 0.00 H new ATOM 0 HG21 THR A 97 0.668 -8.917 -4.472 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.464 -7.854 -5.342 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.471 -9.077 -6.234 1.00 0.00 H new ATOM 1531 N PHE A 98 3.017 -4.892 -7.786 1.00 0.00 N ATOM 1532 CA PHE A 98 3.622 -3.602 -8.102 1.00 0.00 C ATOM 1533 C PHE A 98 2.549 -2.680 -8.676 1.00 0.00 C ATOM 1534 O PHE A 98 2.177 -1.689 -8.056 1.00 0.00 O ATOM 1535 CB PHE A 98 4.798 -3.833 -9.081 1.00 0.00 C ATOM 1536 CG PHE A 98 5.024 -2.773 -10.148 1.00 0.00 C ATOM 1537 CD1 PHE A 98 5.339 -1.456 -9.778 1.00 0.00 C ATOM 1538 CD2 PHE A 98 4.882 -3.095 -11.513 1.00 0.00 C ATOM 1539 CE1 PHE A 98 5.487 -0.456 -10.755 1.00 0.00 C ATOM 1540 CE2 PHE A 98 5.034 -2.097 -12.492 1.00 0.00 C ATOM 1541 CZ PHE A 98 5.333 -0.776 -12.115 1.00 0.00 C ATOM 0 H PHE A 98 3.424 -5.639 -8.349 1.00 0.00 H new ATOM 0 HA PHE A 98 4.024 -3.119 -7.211 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.713 -3.926 -8.496 1.00 0.00 H new ATOM 0 HB3 PHE A 98 4.641 -4.789 -9.581 1.00 0.00 H new ATOM 0 HD1 PHE A 98 5.469 -1.209 -8.735 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.656 -4.109 -11.807 1.00 0.00 H new ATOM 0 HE1 PHE A 98 5.719 0.557 -10.461 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.921 -2.346 -13.537 1.00 0.00 H new ATOM 0 HZ PHE A 98 5.444 -0.010 -12.868 1.00 0.00 H new ATOM 1551 N LYS A 99 2.006 -3.026 -9.847 1.00 0.00 N ATOM 1552 CA LYS A 99 1.038 -2.205 -10.569 1.00 0.00 C ATOM 1553 C LYS A 99 -0.120 -1.749 -9.679 1.00 0.00 C ATOM 1554 O LYS A 99 -0.390 -0.543 -9.672 1.00 0.00 O ATOM 1555 CB LYS A 99 0.512 -2.962 -11.793 1.00 0.00 C ATOM 1556 CG LYS A 99 1.470 -2.796 -12.981 1.00 0.00 C ATOM 1557 CD LYS A 99 0.820 -3.086 -14.339 1.00 0.00 C ATOM 1558 CE LYS A 99 1.911 -2.829 -15.394 1.00 0.00 C ATOM 1559 NZ LYS A 99 1.533 -3.200 -16.774 1.00 0.00 N ATOM 0 H LYS A 99 2.232 -3.898 -10.325 1.00 0.00 H new ATOM 0 HA LYS A 99 1.557 -1.305 -10.898 1.00 0.00 H new ATOM 0 HB2 LYS A 99 0.400 -4.019 -11.553 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.477 -2.590 -12.061 1.00 0.00 H new ATOM 0 HG2 LYS A 99 1.859 -1.778 -12.984 1.00 0.00 H new ATOM 0 HG3 LYS A 99 2.322 -3.462 -12.846 1.00 0.00 H new ATOM 0 HD2 LYS A 99 0.463 -4.115 -14.389 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -0.043 -2.441 -14.505 1.00 0.00 H new ATOM 0 HE2 LYS A 99 2.174 -1.771 -15.375 1.00 0.00 H new ATOM 0 HE3 LYS A 99 2.806 -3.385 -15.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 2.324 -2.994 -17.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 1.311 -4.215 -16.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 0.698 -2.652 -17.065 1.00 0.00 H new ATOM 1573 N PRO A 100 -0.817 -2.628 -8.933 1.00 0.00 N ATOM 1574 CA PRO A 100 -1.911 -2.173 -8.092 1.00 0.00 C ATOM 1575 C PRO A 100 -1.401 -1.340 -6.918 1.00 0.00 C ATOM 1576 O PRO A 100 -2.100 -0.413 -6.514 1.00 0.00 O ATOM 1577 CB PRO A 100 -2.642 -3.433 -7.638 1.00 0.00 C ATOM 1578 CG PRO A 100 -1.538 -4.485 -7.631 1.00 0.00 C ATOM 1579 CD PRO A 100 -0.670 -4.076 -8.820 1.00 0.00 C ATOM 0 HA PRO A 100 -2.587 -1.513 -8.635 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -3.087 -3.308 -6.651 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -3.449 -3.699 -8.320 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -0.976 -4.474 -6.697 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -1.938 -5.492 -7.750 1.00 0.00 H new ATOM 0 HD2 PRO A 100 0.372 -4.353 -8.659 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -0.995 -4.575 -9.733 1.00 0.00 H new ATOM 1587 N ASN A 101 -0.176 -1.570 -6.425 1.00 0.00 N ATOM 1588 CA ASN A 101 0.326 -0.813 -5.287 1.00 0.00 C ATOM 1589 C ASN A 101 0.460 0.666 -5.653 1.00 0.00 C ATOM 1590 O ASN A 101 0.321 1.526 -4.791 1.00 0.00 O ATOM 1591 CB ASN A 101 1.673 -1.360 -4.779 1.00 0.00 C ATOM 1592 CG ASN A 101 1.556 -2.052 -3.430 1.00 0.00 C ATOM 1593 OD1 ASN A 101 1.345 -1.398 -2.418 1.00 0.00 O ATOM 1594 ND2 ASN A 101 1.641 -3.372 -3.392 1.00 0.00 N ATOM 0 H ASN A 101 0.472 -2.265 -6.795 1.00 0.00 H new ATOM 0 HA ASN A 101 -0.397 -0.921 -4.478 1.00 0.00 H new ATOM 0 HB2 ASN A 101 2.073 -2.063 -5.509 1.00 0.00 H new ATOM 0 HB3 ASN A 101 2.387 -0.540 -4.701 1.00 0.00 H new ATOM 0 HD21 ASN A 101 1.530 -3.865 -2.506 1.00 0.00 H new ATOM 0 HD22 ASN A 101 1.818 -3.897 -4.249 1.00 0.00 H new ATOM 1601 N THR A 102 0.674 0.991 -6.934 1.00 0.00 N ATOM 1602 CA THR A 102 0.787 2.379 -7.374 1.00 0.00 C ATOM 1603 C THR A 102 -0.467 3.183 -7.001 1.00 0.00 C ATOM 1604 O THR A 102 -0.383 4.325 -6.562 1.00 0.00 O ATOM 1605 CB THR A 102 1.070 2.473 -8.881 1.00 0.00 C ATOM 1606 OG1 THR A 102 -0.065 2.120 -9.661 1.00 0.00 O ATOM 1607 CG2 THR A 102 2.210 1.619 -9.403 1.00 0.00 C ATOM 0 H THR A 102 0.772 0.306 -7.683 1.00 0.00 H new ATOM 0 HA THR A 102 1.637 2.817 -6.851 1.00 0.00 H new ATOM 0 HB THR A 102 1.348 3.522 -8.987 1.00 0.00 H new ATOM 0 HG1 THR A 102 -0.092 1.147 -9.779 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.314 1.769 -10.478 1.00 0.00 H new ATOM 0 HG22 THR A 102 3.136 1.905 -8.905 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.999 0.569 -9.202 1.00 0.00 H new ATOM 1615 N TRP A 103 -1.639 2.572 -7.159 1.00 0.00 N ATOM 1616 CA TRP A 103 -2.941 3.155 -6.873 1.00 0.00 C ATOM 1617 C TRP A 103 -3.115 3.396 -5.376 1.00 0.00 C ATOM 1618 O TRP A 103 -3.752 4.378 -4.991 1.00 0.00 O ATOM 1619 CB TRP A 103 -4.036 2.215 -7.388 1.00 0.00 C ATOM 1620 CG TRP A 103 -4.175 2.121 -8.876 1.00 0.00 C ATOM 1621 CD1 TRP A 103 -3.544 1.263 -9.710 1.00 0.00 C ATOM 1622 CD2 TRP A 103 -5.061 2.905 -9.715 1.00 0.00 C ATOM 1623 NE1 TRP A 103 -3.997 1.454 -11.004 1.00 0.00 N ATOM 1624 CE2 TRP A 103 -4.983 2.425 -11.051 1.00 0.00 C ATOM 1625 CE3 TRP A 103 -5.965 3.946 -9.450 1.00 0.00 C ATOM 1626 CZ2 TRP A 103 -5.819 2.945 -12.052 1.00 0.00 C ATOM 1627 CZ3 TRP A 103 -6.777 4.497 -10.451 1.00 0.00 C ATOM 1628 CH2 TRP A 103 -6.706 3.991 -11.755 1.00 0.00 C ATOM 0 H TRP A 103 -1.706 1.615 -7.505 1.00 0.00 H new ATOM 0 HA TRP A 103 -3.016 4.118 -7.377 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -3.843 1.216 -6.997 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -4.990 2.540 -6.974 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -2.800 0.539 -9.412 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -3.650 0.946 -11.817 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -6.037 4.334 -8.445 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -5.779 2.539 -13.052 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -7.453 5.306 -10.218 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -7.333 4.405 -12.531 1.00 0.00 H new ATOM 1639 N CYS A 104 -2.536 2.533 -4.537 1.00 0.00 N ATOM 1640 CA CYS A 104 -2.407 2.797 -3.115 1.00 0.00 C ATOM 1641 C CYS A 104 -1.566 4.052 -2.911 1.00 0.00 C ATOM 1642 O CYS A 104 -2.008 4.947 -2.196 1.00 0.00 O ATOM 1643 CB CYS A 104 -1.846 1.562 -2.390 1.00 0.00 C ATOM 1644 SG CYS A 104 -0.757 2.049 -1.027 1.00 0.00 S ATOM 0 H CYS A 104 -2.147 1.637 -4.830 1.00 0.00 H new ATOM 0 HA CYS A 104 -3.385 2.988 -2.673 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -2.667 0.957 -2.006 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -1.295 0.940 -3.096 1.00 0.00 H new ATOM 0 HG CYS A 104 0.270 1.253 -0.986 1.00 0.00 H new ATOM 1650 N LEU A 105 -0.383 4.132 -3.535 1.00 0.00 N ATOM 1651 CA LEU A 105 0.565 5.206 -3.266 1.00 0.00 C ATOM 1652 C LEU A 105 -0.090 6.529 -3.625 1.00 0.00 C ATOM 1653 O LEU A 105 0.012 7.488 -2.873 1.00 0.00 O ATOM 1654 CB LEU A 105 1.881 5.008 -4.039 1.00 0.00 C ATOM 1655 CG LEU A 105 2.687 3.774 -3.585 1.00 0.00 C ATOM 1656 CD1 LEU A 105 3.724 3.394 -4.645 1.00 0.00 C ATOM 1657 CD2 LEU A 105 3.397 4.000 -2.249 1.00 0.00 C ATOM 0 H LEU A 105 -0.065 3.459 -4.232 1.00 0.00 H new ATOM 0 HA LEU A 105 0.825 5.200 -2.207 1.00 0.00 H new ATOM 0 HB2 LEU A 105 1.657 4.914 -5.102 1.00 0.00 H new ATOM 0 HB3 LEU A 105 2.499 5.898 -3.921 1.00 0.00 H new ATOM 0 HG LEU A 105 1.970 2.964 -3.454 1.00 0.00 H new ATOM 0 HD11 LEU A 105 4.284 2.521 -4.309 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.218 3.162 -5.582 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.409 4.228 -4.799 1.00 0.00 H new ATOM 0 HD21 LEU A 105 3.950 3.102 -1.974 1.00 0.00 H new ATOM 0 HD22 LEU A 105 4.088 4.838 -2.341 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.659 4.222 -1.478 1.00 0.00 H new ATOM 1669 N ARG A 106 -0.871 6.565 -4.706 1.00 0.00 N ATOM 1670 CA ARG A 106 -1.597 7.772 -5.093 1.00 0.00 C ATOM 1671 C ARG A 106 -2.632 8.240 -4.060 1.00 0.00 C ATOM 1672 O ARG A 106 -3.003 9.412 -4.076 1.00 0.00 O ATOM 1673 CB ARG A 106 -2.253 7.542 -6.460 1.00 0.00 C ATOM 1674 CG ARG A 106 -1.172 7.481 -7.532 1.00 0.00 C ATOM 1675 CD ARG A 106 -1.743 7.513 -8.954 1.00 0.00 C ATOM 1676 NE ARG A 106 -1.069 8.534 -9.761 1.00 0.00 N ATOM 1677 CZ ARG A 106 -1.204 8.751 -11.071 1.00 0.00 C ATOM 1678 NH1 ARG A 106 -1.999 7.984 -11.810 1.00 0.00 N ATOM 1679 NH2 ARG A 106 -0.534 9.741 -11.642 1.00 0.00 N ATOM 0 H ARG A 106 -1.016 5.770 -5.329 1.00 0.00 H new ATOM 0 HA ARG A 106 -0.868 8.581 -5.149 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -2.825 6.614 -6.450 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -2.955 8.347 -6.680 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -0.489 8.320 -7.401 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -0.587 6.570 -7.401 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -1.623 6.536 -9.421 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -2.813 7.719 -8.917 1.00 0.00 H new ATOM 0 HE ARG A 106 -0.423 9.149 -9.265 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -2.515 7.218 -11.377 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -2.093 8.161 -12.810 1.00 0.00 H new ATOM 0 HH21 ARG A 106 0.080 10.331 -11.081 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -0.632 9.913 -12.643 1.00 0.00 H new ATOM 1693 N CYS A 107 -3.098 7.374 -3.158 1.00 0.00 N ATOM 1694 CA CYS A 107 -3.951 7.770 -2.042 1.00 0.00 C ATOM 1695 C CYS A 107 -3.158 7.989 -0.750 1.00 0.00 C ATOM 1696 O CYS A 107 -3.762 8.342 0.260 1.00 0.00 O ATOM 1697 CB CYS A 107 -5.042 6.721 -1.807 1.00 0.00 C ATOM 1698 SG CYS A 107 -6.517 7.555 -1.148 1.00 0.00 S ATOM 0 H CYS A 107 -2.892 6.375 -3.183 1.00 0.00 H new ATOM 0 HA CYS A 107 -4.407 8.722 -2.314 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -5.282 6.209 -2.739 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -4.692 5.962 -1.107 1.00 0.00 H new ATOM 0 HG CYS A 107 -7.551 7.243 -1.871 1.00 0.00 H new ATOM 1704 N LEU A 108 -1.850 7.731 -0.735 1.00 0.00 N ATOM 1705 CA LEU A 108 -0.960 8.126 0.350 1.00 0.00 C ATOM 1706 C LEU A 108 -0.228 9.427 0.002 1.00 0.00 C ATOM 1707 O LEU A 108 0.318 10.052 0.901 1.00 0.00 O ATOM 1708 CB LEU A 108 0.047 7.005 0.633 1.00 0.00 C ATOM 1709 CG LEU A 108 -0.572 5.674 1.093 1.00 0.00 C ATOM 1710 CD1 LEU A 108 0.525 4.608 1.106 1.00 0.00 C ATOM 1711 CD2 LEU A 108 -1.206 5.766 2.484 1.00 0.00 C ATOM 0 H LEU A 108 -1.375 7.234 -1.489 1.00 0.00 H new ATOM 0 HA LEU A 108 -1.556 8.301 1.246 1.00 0.00 H new ATOM 0 HB2 LEU A 108 0.630 6.824 -0.270 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.744 7.348 1.398 1.00 0.00 H new ATOM 0 HG LEU A 108 -1.369 5.416 0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.104 3.656 1.430 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.938 4.499 0.103 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.316 4.908 1.794 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -1.627 4.798 2.757 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.446 6.050 3.212 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -1.997 6.516 2.474 1.00 0.00 H new ATOM 1723 N TRP A 109 -0.233 9.857 -1.265 1.00 0.00 N ATOM 1724 CA TRP A 109 0.077 11.215 -1.702 1.00 0.00 C ATOM 1725 C TRP A 109 -0.885 12.205 -1.025 1.00 0.00 C ATOM 1726 O TRP A 109 -1.910 11.810 -0.451 1.00 0.00 O ATOM 1727 CB TRP A 109 -0.070 11.281 -3.234 1.00 0.00 C ATOM 1728 CG TRP A 109 0.871 10.474 -4.086 1.00 0.00 C ATOM 1729 CD1 TRP A 109 1.841 9.638 -3.659 1.00 0.00 C ATOM 1730 CD2 TRP A 109 0.940 10.412 -5.544 1.00 0.00 C ATOM 1731 NE1 TRP A 109 2.475 9.061 -4.737 1.00 0.00 N ATOM 1732 CE2 TRP A 109 1.955 9.492 -5.933 1.00 0.00 C ATOM 1733 CE3 TRP A 109 0.225 11.024 -6.586 1.00 0.00 C ATOM 1734 CZ2 TRP A 109 2.260 9.213 -7.276 1.00 0.00 C ATOM 1735 CZ3 TRP A 109 0.529 10.780 -7.936 1.00 0.00 C ATOM 1736 CH2 TRP A 109 1.539 9.868 -8.288 1.00 0.00 C ATOM 0 H TRP A 109 -0.463 9.239 -2.043 1.00 0.00 H new ATOM 0 HA TRP A 109 1.097 11.481 -1.424 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -1.086 10.974 -3.482 1.00 0.00 H new ATOM 0 HB3 TRP A 109 0.029 12.325 -3.531 1.00 0.00 H new ATOM 0 HD1 TRP A 109 2.084 9.449 -2.624 1.00 0.00 H new ATOM 0 HE1 TRP A 109 3.241 8.392 -4.657 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -0.581 11.701 -6.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 3.037 8.506 -7.526 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -0.018 11.298 -8.710 1.00 0.00 H new ATOM 0 HH2 TRP A 109 1.759 9.673 -9.327 1.00 0.00 H new ATOM 1747 N SER A 110 -0.597 13.494 -1.166 1.00 0.00 N ATOM 1748 CA SER A 110 -1.446 14.578 -0.715 1.00 0.00 C ATOM 1749 C SER A 110 -2.149 15.118 -1.958 1.00 0.00 C ATOM 1750 O SER A 110 -1.682 14.911 -3.077 1.00 0.00 O ATOM 1751 CB SER A 110 -0.547 15.623 -0.033 1.00 0.00 C ATOM 1752 OG SER A 110 -1.270 16.555 0.745 1.00 0.00 O ATOM 0 H SER A 110 0.261 13.818 -1.612 1.00 0.00 H new ATOM 0 HA SER A 110 -2.201 14.275 0.010 1.00 0.00 H new ATOM 0 HB2 SER A 110 0.176 15.112 0.603 1.00 0.00 H new ATOM 0 HB3 SER A 110 0.020 16.158 -0.795 1.00 0.00 H new ATOM 0 HG SER A 110 -0.648 17.192 1.155 1.00 0.00 H new