USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 934 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 104 ASN : amide:sc= 0 X(o=-0.063,f=-0.41) USER MOD Set 1.2: A 109 MET CE :methyl 163:sc= -0.0633 (180deg=-0.424) USER MOD Set 2.1: A 7 ASN : amide:sc= 1.17 K(o=2.1,f=-8.7!) USER MOD Set 2.2: A 9 SER OG : rot -160:sc= 0.0199 USER MOD Set 2.3: A 53 ASN : amide:sc= 0.937 K(o=2.1,f=-9.9) USER MOD Single : A 5 MET CE :methyl 140:sc= -0.174 (180deg=-0.897) USER MOD Single : A 6 LYS NZ :NH3+ -107:sc= -1.49 (180deg=-4.14!) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -0.113 K(o=-0.11,f=-0.91) USER MOD Single : A 20 LYS NZ :NH3+ 147:sc= 0.666 (180deg=0.179) USER MOD Single : A 24 SER OG : rot -53:sc= 0.0756 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.437 K(o=-0.44,f=-11!) USER MOD Single : A 38 LYS NZ :NH3+ 169:sc= 1.08 (180deg=0.935) USER MOD Single : A 41 TYR OH : rot -143:sc= 1.28 USER MOD Single : A 43 MET CE :methyl -159:sc= -0.204 (180deg=-0.985) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0258 USER MOD Single : A 57 THR OG1 : rot 107:sc= 1.23 USER MOD Single : A 58 LYS NZ :NH3+ 159:sc= 1.23 (180deg=0.926) USER MOD Single : A 67 ASN :FLIP amide:sc= -0.492 F(o=-2.1!,f=-0.49) USER MOD Single : A 69 HIS : no HD1:sc= -1.11 X(o=-1.1,f=-0.63) USER MOD Single : A 70 HIS :FLIP no HE2:sc= -0.0646 F(o=-0.89,f=-0.065) USER MOD Single : A 72 ASN : amide:sc= -0.484 X(o=-0.48,f=-0.03!) USER MOD Single : A 74 LYS NZ :NH3+ 149:sc= -2.75 (180deg=-4.22!) USER MOD Single : A 78 MET CE :methyl 172:sc= -2.29 (180deg=-2.63!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.137 X(o=-0.14,f=-0.089) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 160:sc= -0.14 (180deg=-0.713) USER MOD Single : A 88 GLN : amide:sc= 0.504 K(o=0.5,f=-0.53) USER MOD Single : A 89 GLN :FLIP amide:sc= -1.12 F(o=-3!,f=-1.1) USER MOD Single : A 95 HIS : no HD1:sc= -0.649 X(o=-0.65,f=-0.15) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 77:sc= 0.428 USER MOD Single : A 107 LYS NZ :NH3+ 164:sc= -0.0263 (180deg=-0.245) USER MOD Single : A 110 LYS NZ :NH3+ -142:sc= 1.08 (180deg=0.377) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 MET CE :methyl -133:sc= -0.48 (180deg=-3.9!) USER MOD Single : A 119 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.622) USER MOD Single : A 120 LYS NZ :NH3+ 176:sc= 2.69 (180deg=2.53) USER MOD Single : A 123 HIS :FLIP no HD1:sc= 0 F(o=-0.84,f=0) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 14 N PRO A 2 -8.627 -14.408 -2.378 1.00 0.00 N ATOM 15 CA PRO A 2 -8.736 -12.951 -2.325 1.00 0.00 C ATOM 16 C PRO A 2 -8.852 -12.407 -0.901 1.00 0.00 C ATOM 17 O PRO A 2 -9.010 -11.201 -0.704 1.00 0.00 O ATOM 18 CB PRO A 2 -10.015 -12.676 -3.110 1.00 0.00 C ATOM 19 CG PRO A 2 -10.864 -13.878 -2.882 1.00 0.00 C ATOM 20 CD PRO A 2 -9.923 -15.043 -2.700 1.00 0.00 C ATOM 0 HA PRO A 2 -7.848 -12.464 -2.728 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -10.509 -11.770 -2.758 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -9.806 -12.534 -4.170 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -11.493 -13.747 -2.001 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -11.531 -14.047 -3.727 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -10.255 -15.703 -1.898 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -9.857 -15.648 -3.604 1.00 0.00 H new ATOM 28 N GLU A 3 -8.794 -13.303 0.081 1.00 0.00 N ATOM 29 CA GLU A 3 -8.819 -12.920 1.496 1.00 0.00 C ATOM 30 C GLU A 3 -7.798 -11.825 1.801 1.00 0.00 C ATOM 31 O GLU A 3 -8.170 -10.685 2.074 1.00 0.00 O ATOM 32 CB GLU A 3 -8.544 -14.133 2.384 1.00 0.00 C ATOM 33 CG GLU A 3 -9.617 -15.202 2.309 1.00 0.00 C ATOM 34 CD GLU A 3 -9.277 -16.427 3.130 1.00 0.00 C ATOM 35 OE1 GLU A 3 -9.637 -16.467 4.325 1.00 0.00 O ATOM 36 OE2 GLU A 3 -8.662 -17.366 2.575 1.00 0.00 O ATOM 0 H GLU A 3 -8.729 -14.309 -0.076 1.00 0.00 H new ATOM 0 HA GLU A 3 -9.815 -12.531 1.708 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -7.587 -14.571 2.099 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -8.447 -13.801 3.418 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -10.563 -14.787 2.657 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -9.761 -15.495 1.269 1.00 0.00 H new ATOM 43 N ILE A 4 -6.511 -12.166 1.740 1.00 0.00 N ATOM 44 CA ILE A 4 -5.461 -11.210 2.048 1.00 0.00 C ATOM 45 C ILE A 4 -5.305 -10.181 0.924 1.00 0.00 C ATOM 46 O ILE A 4 -4.626 -9.167 1.074 1.00 0.00 O ATOM 47 CB ILE A 4 -4.109 -11.918 2.315 1.00 0.00 C ATOM 48 CG1 ILE A 4 -3.124 -10.964 2.994 1.00 0.00 C ATOM 49 CG2 ILE A 4 -3.510 -12.468 1.025 1.00 0.00 C ATOM 50 CD1 ILE A 4 -3.629 -10.417 4.311 1.00 0.00 C ATOM 0 H ILE A 4 -6.177 -13.094 1.481 1.00 0.00 H new ATOM 0 HA ILE A 4 -5.757 -10.688 2.958 1.00 0.00 H new ATOM 0 HB ILE A 4 -4.300 -12.757 2.984 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -2.182 -11.486 3.163 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.912 -10.133 2.321 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.562 -12.959 1.244 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -4.198 -13.188 0.583 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -3.341 -11.650 0.324 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -2.882 -9.748 4.738 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.556 -9.867 4.145 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.814 -11.241 5.000 1.00 0.00 H new ATOM 62 N MET A 5 -5.955 -10.447 -0.198 1.00 0.00 N ATOM 63 CA MET A 5 -5.919 -9.547 -1.336 1.00 0.00 C ATOM 64 C MET A 5 -6.876 -8.381 -1.126 1.00 0.00 C ATOM 65 O MET A 5 -6.731 -7.322 -1.742 1.00 0.00 O ATOM 66 CB MET A 5 -6.281 -10.305 -2.608 1.00 0.00 C ATOM 67 CG MET A 5 -5.144 -11.152 -3.160 1.00 0.00 C ATOM 68 SD MET A 5 -5.577 -11.959 -4.713 1.00 0.00 S ATOM 69 CE MET A 5 -5.886 -10.537 -5.762 1.00 0.00 C ATOM 0 H MET A 5 -6.517 -11.286 -0.344 1.00 0.00 H new ATOM 0 HA MET A 5 -4.909 -9.148 -1.435 1.00 0.00 H new ATOM 0 HB2 MET A 5 -7.137 -10.949 -2.405 1.00 0.00 H new ATOM 0 HB3 MET A 5 -6.593 -9.591 -3.370 1.00 0.00 H new ATOM 0 HG2 MET A 5 -4.267 -10.523 -3.313 1.00 0.00 H new ATOM 0 HG3 MET A 5 -4.869 -11.909 -2.425 1.00 0.00 H new ATOM 0 HE1 MET A 5 -5.480 -10.723 -6.756 1.00 0.00 H new ATOM 0 HE2 MET A 5 -6.960 -10.365 -5.835 1.00 0.00 H new ATOM 0 HE3 MET A 5 -5.407 -9.657 -5.333 1.00 0.00 H new ATOM 79 N LYS A 6 -7.857 -8.579 -0.253 1.00 0.00 N ATOM 80 CA LYS A 6 -8.800 -7.528 0.079 1.00 0.00 C ATOM 81 C LYS A 6 -8.179 -6.590 1.108 1.00 0.00 C ATOM 82 O LYS A 6 -8.417 -6.715 2.314 1.00 0.00 O ATOM 83 CB LYS A 6 -10.115 -8.115 0.607 1.00 0.00 C ATOM 84 CG LYS A 6 -11.224 -7.084 0.773 1.00 0.00 C ATOM 85 CD LYS A 6 -12.515 -7.694 1.313 1.00 0.00 C ATOM 86 CE LYS A 6 -13.182 -8.634 0.313 1.00 0.00 C ATOM 87 NZ LYS A 6 -12.508 -9.958 0.231 1.00 0.00 N ATOM 0 H LYS A 6 -8.017 -9.460 0.236 1.00 0.00 H new ATOM 0 HA LYS A 6 -9.029 -6.965 -0.826 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.455 -8.894 -0.076 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.929 -8.593 1.569 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.887 -6.298 1.449 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.424 -6.612 -0.189 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.298 -8.240 2.231 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -13.209 -6.895 1.574 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -14.225 -8.779 0.596 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -13.181 -8.169 -0.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -11.983 -10.025 -0.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -11.848 -10.062 1.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -13.221 -10.714 0.271 1.00 0.00 H new ATOM 101 N ASN A 7 -7.355 -5.678 0.615 1.00 0.00 N ATOM 102 CA ASN A 7 -6.637 -4.730 1.458 1.00 0.00 C ATOM 103 C ASN A 7 -7.619 -3.839 2.209 1.00 0.00 C ATOM 104 O ASN A 7 -8.580 -3.333 1.624 1.00 0.00 O ATOM 105 CB ASN A 7 -5.702 -3.884 0.581 1.00 0.00 C ATOM 106 CG ASN A 7 -4.753 -2.984 1.360 1.00 0.00 C ATOM 107 OD1 ASN A 7 -5.072 -2.485 2.441 1.00 0.00 O ATOM 108 ND2 ASN A 7 -3.576 -2.763 0.801 1.00 0.00 N ATOM 0 H ASN A 7 -7.164 -5.573 -0.381 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.045 -5.274 2.194 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -5.115 -4.550 -0.051 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.307 -3.266 -0.083 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -2.896 -2.162 1.266 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -3.348 -3.194 -0.095 1.00 0.00 H new ATOM 115 N LEU A 8 -7.378 -3.663 3.505 1.00 0.00 N ATOM 116 CA LEU A 8 -8.234 -2.830 4.345 1.00 0.00 C ATOM 117 C LEU A 8 -8.367 -1.429 3.761 1.00 0.00 C ATOM 118 O LEU A 8 -9.468 -0.898 3.661 1.00 0.00 O ATOM 119 CB LEU A 8 -7.689 -2.734 5.776 1.00 0.00 C ATOM 120 CG LEU A 8 -7.804 -4.001 6.633 1.00 0.00 C ATOM 121 CD1 LEU A 8 -6.754 -5.030 6.243 1.00 0.00 C ATOM 122 CD2 LEU A 8 -7.688 -3.651 8.107 1.00 0.00 C ATOM 0 H LEU A 8 -6.593 -4.088 3.999 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.216 -3.303 4.375 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.638 -2.451 5.724 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -8.212 -1.926 6.288 1.00 0.00 H new ATOM 0 HG LEU A 8 -8.784 -4.443 6.453 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.863 -5.916 6.869 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.886 -5.306 5.197 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.760 -4.606 6.383 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.771 -4.559 8.704 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.723 -3.181 8.294 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -8.487 -2.962 8.381 1.00 0.00 H new ATOM 134 N SER A 9 -7.241 -0.852 3.351 1.00 0.00 N ATOM 135 CA SER A 9 -7.217 0.502 2.811 1.00 0.00 C ATOM 136 C SER A 9 -8.020 0.584 1.512 1.00 0.00 C ATOM 137 O SER A 9 -8.644 1.605 1.216 1.00 0.00 O ATOM 138 CB SER A 9 -5.773 0.938 2.564 1.00 0.00 C ATOM 139 OG SER A 9 -4.988 0.787 3.735 1.00 0.00 O ATOM 0 H SER A 9 -6.328 -1.306 3.383 1.00 0.00 H new ATOM 0 HA SER A 9 -7.675 1.172 3.539 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.344 0.346 1.756 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.754 1.979 2.241 1.00 0.00 H new ATOM 0 HG SER A 9 -4.186 1.346 3.666 1.00 0.00 H new ATOM 145 N ASN A 10 -8.013 -0.509 0.756 1.00 0.00 N ATOM 146 CA ASN A 10 -8.748 -0.576 -0.502 1.00 0.00 C ATOM 147 C ASN A 10 -10.239 -0.725 -0.231 1.00 0.00 C ATOM 148 O ASN A 10 -11.073 -0.180 -0.957 1.00 0.00 O ATOM 149 CB ASN A 10 -8.242 -1.743 -1.356 1.00 0.00 C ATOM 150 CG ASN A 10 -8.953 -1.842 -2.694 1.00 0.00 C ATOM 151 OD1 ASN A 10 -9.975 -2.516 -2.822 1.00 0.00 O ATOM 152 ND2 ASN A 10 -8.412 -1.174 -3.702 1.00 0.00 N ATOM 0 H ASN A 10 -7.506 -1.362 0.993 1.00 0.00 H new ATOM 0 HA ASN A 10 -8.583 0.350 -1.052 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -7.172 -1.626 -1.526 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -8.378 -2.675 -0.807 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -8.843 -1.207 -4.626 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -7.564 -0.627 -3.554 1.00 0.00 H new ATOM 159 N ASN A 11 -10.568 -1.467 0.820 1.00 0.00 N ATOM 160 CA ASN A 11 -11.955 -1.629 1.235 1.00 0.00 C ATOM 161 C ASN A 11 -12.491 -0.315 1.786 1.00 0.00 C ATOM 162 O ASN A 11 -13.608 0.088 1.465 1.00 0.00 O ATOM 163 CB ASN A 11 -12.087 -2.737 2.282 1.00 0.00 C ATOM 164 CG ASN A 11 -13.515 -2.908 2.766 1.00 0.00 C ATOM 165 OD1 ASN A 11 -13.929 -2.292 3.750 1.00 0.00 O ATOM 166 ND2 ASN A 11 -14.281 -3.741 2.077 1.00 0.00 N ATOM 0 H ASN A 11 -9.893 -1.966 1.400 1.00 0.00 H new ATOM 0 HA ASN A 11 -12.543 -1.916 0.363 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.735 -3.677 1.858 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -11.443 -2.509 3.131 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -15.251 -3.891 2.356 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -13.901 -4.232 1.268 1.00 0.00 H new ATOM 173 N PHE A 12 -11.695 0.326 2.644 1.00 0.00 N ATOM 174 CA PHE A 12 -11.989 1.687 3.099 1.00 0.00 C ATOM 175 C PHE A 12 -12.361 2.604 1.929 1.00 0.00 C ATOM 176 O PHE A 12 -13.543 2.870 1.713 1.00 0.00 O ATOM 177 CB PHE A 12 -10.808 2.288 3.873 1.00 0.00 C ATOM 178 CG PHE A 12 -10.714 1.838 5.304 1.00 0.00 C ATOM 179 CD1 PHE A 12 -11.769 2.047 6.178 1.00 0.00 C ATOM 180 CD2 PHE A 12 -9.568 1.222 5.779 1.00 0.00 C ATOM 181 CE1 PHE A 12 -11.682 1.649 7.498 1.00 0.00 C ATOM 182 CE2 PHE A 12 -9.476 0.819 7.097 1.00 0.00 C ATOM 183 CZ PHE A 12 -10.533 1.034 7.958 1.00 0.00 C ATOM 0 H PHE A 12 -10.843 -0.074 3.037 1.00 0.00 H new ATOM 0 HA PHE A 12 -12.845 1.615 3.770 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -9.882 2.027 3.361 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -10.889 3.375 3.851 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -12.669 2.526 5.823 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -8.736 1.055 5.111 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -12.511 1.818 8.170 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -8.578 0.336 7.453 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.462 0.722 8.990 1.00 0.00 H new ATOM 193 N GLY A 13 -11.362 3.072 1.165 1.00 0.00 N ATOM 194 CA GLY A 13 -11.625 3.991 0.068 1.00 0.00 C ATOM 195 C GLY A 13 -12.490 5.177 0.474 1.00 0.00 C ATOM 196 O GLY A 13 -13.349 5.607 -0.292 1.00 0.00 O ATOM 0 H GLY A 13 -10.380 2.828 1.291 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.677 4.358 -0.325 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -12.117 3.450 -0.740 1.00 0.00 H new ATOM 200 N LYS A 14 -12.260 5.698 1.679 1.00 0.00 N ATOM 201 CA LYS A 14 -13.056 6.798 2.208 1.00 0.00 C ATOM 202 C LYS A 14 -12.876 8.050 1.355 1.00 0.00 C ATOM 203 O LYS A 14 -13.843 8.610 0.838 1.00 0.00 O ATOM 204 CB LYS A 14 -12.648 7.081 3.657 1.00 0.00 C ATOM 205 CG LYS A 14 -13.565 8.059 4.374 1.00 0.00 C ATOM 206 CD LYS A 14 -13.089 8.331 5.793 1.00 0.00 C ATOM 207 CE LYS A 14 -14.103 9.155 6.569 1.00 0.00 C ATOM 208 NZ LYS A 14 -13.629 9.473 7.942 1.00 0.00 N ATOM 0 H LYS A 14 -11.525 5.372 2.307 1.00 0.00 H new ATOM 0 HA LYS A 14 -14.108 6.515 2.181 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -12.631 6.142 4.210 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -11.632 7.476 3.668 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -13.607 8.995 3.817 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -14.578 7.658 4.399 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.915 7.386 6.308 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -12.135 8.858 5.764 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -14.305 10.082 6.031 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -15.045 8.609 6.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -14.350 10.036 8.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -13.461 8.590 8.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.744 10.016 7.887 1.00 0.00 H new ATOM 222 N ALA A 15 -11.630 8.467 1.191 1.00 0.00 N ATOM 223 CA ALA A 15 -11.329 9.666 0.432 1.00 0.00 C ATOM 224 C ALA A 15 -10.027 9.508 -0.340 1.00 0.00 C ATOM 225 O ALA A 15 -8.938 9.555 0.235 1.00 0.00 O ATOM 226 CB ALA A 15 -11.261 10.874 1.351 1.00 0.00 C ATOM 0 H ALA A 15 -10.813 7.992 1.574 1.00 0.00 H new ATOM 0 HA ALA A 15 -12.132 9.823 -0.288 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -11.034 11.765 0.765 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -12.220 11.004 1.853 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -10.480 10.721 2.096 1.00 0.00 H new ATOM 232 N MET A 16 -10.150 9.319 -1.645 1.00 0.00 N ATOM 233 CA MET A 16 -8.992 9.163 -2.514 1.00 0.00 C ATOM 234 C MET A 16 -8.261 10.494 -2.640 1.00 0.00 C ATOM 235 O MET A 16 -7.032 10.550 -2.664 1.00 0.00 O ATOM 236 CB MET A 16 -9.425 8.676 -3.900 1.00 0.00 C ATOM 237 CG MET A 16 -10.132 7.330 -3.888 1.00 0.00 C ATOM 238 SD MET A 16 -10.642 6.798 -5.534 1.00 0.00 S ATOM 239 CE MET A 16 -11.425 5.231 -5.156 1.00 0.00 C ATOM 0 H MET A 16 -11.047 9.270 -2.129 1.00 0.00 H new ATOM 0 HA MET A 16 -8.323 8.422 -2.077 1.00 0.00 H new ATOM 0 HB2 MET A 16 -10.087 9.419 -4.345 1.00 0.00 H new ATOM 0 HB3 MET A 16 -8.546 8.608 -4.541 1.00 0.00 H new ATOM 0 HG2 MET A 16 -9.469 6.580 -3.457 1.00 0.00 H new ATOM 0 HG3 MET A 16 -11.008 7.390 -3.242 1.00 0.00 H new ATOM 0 HE1 MET A 16 -11.793 4.777 -6.076 1.00 0.00 H new ATOM 0 HE2 MET A 16 -10.700 4.565 -4.688 1.00 0.00 H new ATOM 0 HE3 MET A 16 -12.259 5.396 -4.474 1.00 0.00 H new ATOM 249 N ASP A 17 -9.043 11.566 -2.683 1.00 0.00 N ATOM 250 CA ASP A 17 -8.514 12.915 -2.843 1.00 0.00 C ATOM 251 C ASP A 17 -7.661 13.325 -1.651 1.00 0.00 C ATOM 252 O ASP A 17 -6.702 14.091 -1.789 1.00 0.00 O ATOM 253 CB ASP A 17 -9.663 13.910 -3.032 1.00 0.00 C ATOM 254 CG ASP A 17 -9.177 15.339 -3.160 1.00 0.00 C ATOM 255 OD1 ASP A 17 -8.654 15.698 -4.236 1.00 0.00 O ATOM 256 OD2 ASP A 17 -9.325 16.113 -2.190 1.00 0.00 O ATOM 0 H ASP A 17 -10.059 11.525 -2.608 1.00 0.00 H new ATOM 0 HA ASP A 17 -7.878 12.922 -3.728 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.229 13.641 -3.924 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.346 13.836 -2.186 1.00 0.00 H new ATOM 261 N GLN A 18 -7.967 12.774 -0.490 1.00 0.00 N ATOM 262 CA GLN A 18 -7.298 13.215 0.726 1.00 0.00 C ATOM 263 C GLN A 18 -6.017 12.423 0.970 1.00 0.00 C ATOM 264 O GLN A 18 -5.065 12.942 1.555 1.00 0.00 O ATOM 265 CB GLN A 18 -8.244 13.141 1.928 1.00 0.00 C ATOM 266 CG GLN A 18 -8.927 14.473 2.243 1.00 0.00 C ATOM 267 CD GLN A 18 -7.966 15.499 2.805 1.00 0.00 C ATOM 268 OE1 GLN A 18 -7.009 15.157 3.496 1.00 0.00 O ATOM 269 NE2 GLN A 18 -8.200 16.764 2.493 1.00 0.00 N ATOM 0 H GLN A 18 -8.659 12.036 -0.361 1.00 0.00 H new ATOM 0 HA GLN A 18 -7.013 14.259 0.594 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -9.006 12.386 1.736 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -7.683 12.812 2.803 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -9.384 14.867 1.335 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -9.732 14.304 2.958 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.006 17.006 1.917 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -7.574 17.496 2.829 1.00 0.00 H new ATOM 278 N CYS A 19 -5.964 11.191 0.475 1.00 0.00 N ATOM 279 CA CYS A 19 -4.717 10.437 0.507 1.00 0.00 C ATOM 280 C CYS A 19 -3.778 10.993 -0.554 1.00 0.00 C ATOM 281 O CYS A 19 -2.566 11.081 -0.349 1.00 0.00 O ATOM 282 CB CYS A 19 -4.945 8.931 0.294 1.00 0.00 C ATOM 283 SG CYS A 19 -3.403 7.973 0.096 1.00 0.00 S ATOM 0 H CYS A 19 -6.754 10.701 0.055 1.00 0.00 H new ATOM 0 HA CYS A 19 -4.271 10.548 1.495 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -5.502 8.534 1.142 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -5.566 8.789 -0.590 1.00 0.00 H new ATOM 288 N LYS A 20 -4.365 11.419 -1.672 1.00 0.00 N ATOM 289 CA LYS A 20 -3.624 11.984 -2.775 1.00 0.00 C ATOM 290 C LYS A 20 -2.854 13.215 -2.322 1.00 0.00 C ATOM 291 O LYS A 20 -1.649 13.319 -2.546 1.00 0.00 O ATOM 292 CB LYS A 20 -4.592 12.356 -3.904 1.00 0.00 C ATOM 293 CG LYS A 20 -4.005 12.196 -5.293 1.00 0.00 C ATOM 294 CD LYS A 20 -2.792 13.081 -5.499 1.00 0.00 C ATOM 295 CE LYS A 20 -3.175 14.481 -5.947 1.00 0.00 C ATOM 296 NZ LYS A 20 -1.989 15.371 -6.070 1.00 0.00 N ATOM 0 H LYS A 20 -5.372 11.377 -1.829 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.910 11.245 -3.139 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.485 11.735 -3.824 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.910 13.390 -3.771 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.726 11.154 -5.451 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.763 12.439 -6.038 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.225 13.141 -4.570 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.137 12.629 -6.244 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.689 14.427 -6.907 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.878 14.910 -5.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.143 16.050 -6.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.849 15.887 -5.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.145 14.799 -6.275 1.00 0.00 H new ATOM 310 N ASP A 21 -3.551 14.133 -1.676 1.00 0.00 N ATOM 311 CA ASP A 21 -2.946 15.395 -1.280 1.00 0.00 C ATOM 312 C ASP A 21 -1.995 15.211 -0.100 1.00 0.00 C ATOM 313 O ASP A 21 -0.996 15.919 0.011 1.00 0.00 O ATOM 314 CB ASP A 21 -4.022 16.421 -0.934 1.00 0.00 C ATOM 315 CG ASP A 21 -3.482 17.835 -0.959 1.00 0.00 C ATOM 316 OD1 ASP A 21 -3.176 18.331 -2.063 1.00 0.00 O ATOM 317 OD2 ASP A 21 -3.369 18.458 0.116 1.00 0.00 O ATOM 0 H ASP A 21 -4.532 14.031 -1.415 1.00 0.00 H new ATOM 0 HA ASP A 21 -2.366 15.763 -2.127 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.847 16.335 -1.641 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.426 16.204 0.055 1.00 0.00 H new ATOM 322 N GLU A 22 -2.306 14.258 0.777 1.00 0.00 N ATOM 323 CA GLU A 22 -1.465 14.000 1.943 1.00 0.00 C ATOM 324 C GLU A 22 -0.112 13.413 1.521 1.00 0.00 C ATOM 325 O GLU A 22 0.934 13.848 1.995 1.00 0.00 O ATOM 326 CB GLU A 22 -2.192 13.056 2.908 1.00 0.00 C ATOM 327 CG GLU A 22 -1.965 13.366 4.384 1.00 0.00 C ATOM 328 CD GLU A 22 -0.559 13.064 4.864 1.00 0.00 C ATOM 329 OE1 GLU A 22 -0.303 11.912 5.273 1.00 0.00 O ATOM 330 OE2 GLU A 22 0.286 13.982 4.864 1.00 0.00 O ATOM 0 H GLU A 22 -3.127 13.657 0.703 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.272 14.944 2.453 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.261 13.098 2.701 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.868 12.034 2.710 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.181 14.420 4.562 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.674 12.790 4.980 1.00 0.00 H new ATOM 337 N LEU A 23 -0.133 12.447 0.606 1.00 0.00 N ATOM 338 CA LEU A 23 1.108 11.822 0.140 1.00 0.00 C ATOM 339 C LEU A 23 1.748 12.653 -0.950 1.00 0.00 C ATOM 340 O LEU A 23 2.927 12.484 -1.269 1.00 0.00 O ATOM 341 CB LEU A 23 0.857 10.412 -0.396 1.00 0.00 C ATOM 342 CG LEU A 23 0.245 9.439 0.599 1.00 0.00 C ATOM 343 CD1 LEU A 23 0.499 8.010 0.155 1.00 0.00 C ATOM 344 CD2 LEU A 23 0.817 9.711 1.969 1.00 0.00 C ATOM 0 H LEU A 23 -0.982 12.082 0.175 1.00 0.00 H new ATOM 0 HA LEU A 23 1.778 11.761 0.998 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.199 10.482 -1.262 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.803 10.000 -0.747 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.835 9.577 0.644 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.057 7.321 0.875 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.050 7.848 -0.825 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.573 7.833 0.096 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.383 9.017 2.689 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.899 9.579 1.944 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.583 10.734 2.264 1.00 0.00 H new ATOM 356 N SER A 24 0.948 13.537 -1.520 1.00 0.00 N ATOM 357 CA SER A 24 1.368 14.385 -2.625 1.00 0.00 C ATOM 358 C SER A 24 1.644 13.523 -3.856 1.00 0.00 C ATOM 359 O SER A 24 2.587 13.777 -4.607 1.00 0.00 O ATOM 360 CB SER A 24 2.607 15.203 -2.228 1.00 0.00 C ATOM 361 OG SER A 24 2.839 16.280 -3.125 1.00 0.00 O ATOM 0 H SER A 24 -0.018 13.689 -1.228 1.00 0.00 H new ATOM 0 HA SER A 24 0.570 15.087 -2.867 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.477 15.593 -1.218 1.00 0.00 H new ATOM 0 HB3 SER A 24 3.481 14.552 -2.208 1.00 0.00 H new ATOM 0 HG SER A 24 2.864 15.941 -4.044 1.00 0.00 H new ATOM 367 N LEU A 25 0.816 12.490 -4.048 1.00 0.00 N ATOM 368 CA LEU A 25 0.924 11.632 -5.235 1.00 0.00 C ATOM 369 C LEU A 25 0.953 12.462 -6.512 1.00 0.00 C ATOM 370 O LEU A 25 0.170 13.408 -6.664 1.00 0.00 O ATOM 371 CB LEU A 25 -0.247 10.641 -5.364 1.00 0.00 C ATOM 372 CG LEU A 25 -0.381 9.565 -4.284 1.00 0.00 C ATOM 373 CD1 LEU A 25 0.968 9.021 -3.896 1.00 0.00 C ATOM 374 CD2 LEU A 25 -1.097 10.096 -3.067 1.00 0.00 C ATOM 0 H LEU A 25 0.070 12.229 -3.404 1.00 0.00 H new ATOM 0 HA LEU A 25 1.854 11.078 -5.105 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.173 11.215 -5.384 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.161 10.141 -6.329 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.976 8.754 -4.703 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.845 8.258 -3.127 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.448 8.581 -4.770 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.589 9.829 -3.509 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.176 9.308 -2.319 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.538 10.935 -2.653 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.096 10.430 -3.349 1.00 0.00 H new ATOM 386 N PRO A 26 1.855 12.128 -7.451 1.00 0.00 N ATOM 387 CA PRO A 26 1.788 12.659 -8.808 1.00 0.00 C ATOM 388 C PRO A 26 0.528 12.148 -9.492 1.00 0.00 C ATOM 389 O PRO A 26 0.066 11.040 -9.188 1.00 0.00 O ATOM 390 CB PRO A 26 3.042 12.096 -9.494 1.00 0.00 C ATOM 391 CG PRO A 26 3.925 11.647 -8.380 1.00 0.00 C ATOM 392 CD PRO A 26 3.001 11.222 -7.279 1.00 0.00 C ATOM 0 HA PRO A 26 1.753 13.748 -8.843 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.791 11.268 -10.156 1.00 0.00 H new ATOM 0 HB3 PRO A 26 3.532 12.855 -10.104 1.00 0.00 H new ATOM 0 HG2 PRO A 26 4.565 10.823 -8.695 1.00 0.00 H new ATOM 0 HG3 PRO A 26 4.582 12.452 -8.051 1.00 0.00 H new ATOM 0 HD2 PRO A 26 2.709 10.176 -7.377 1.00 0.00 H new ATOM 0 HD3 PRO A 26 3.462 11.334 -6.298 1.00 0.00 H new ATOM 400 N ASP A 27 -0.027 12.930 -10.406 1.00 0.00 N ATOM 401 CA ASP A 27 -1.301 12.577 -11.030 1.00 0.00 C ATOM 402 C ASP A 27 -1.200 11.241 -11.764 1.00 0.00 C ATOM 403 O ASP A 27 -2.152 10.466 -11.788 1.00 0.00 O ATOM 404 CB ASP A 27 -1.768 13.675 -11.996 1.00 0.00 C ATOM 405 CG ASP A 27 -0.959 13.727 -13.276 1.00 0.00 C ATOM 406 OD1 ASP A 27 0.153 14.301 -13.260 1.00 0.00 O ATOM 407 OD2 ASP A 27 -1.428 13.196 -14.304 1.00 0.00 O ATOM 0 H ASP A 27 0.378 13.807 -10.733 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.039 12.481 -10.234 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.817 13.511 -12.243 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.706 14.641 -11.495 1.00 0.00 H new ATOM 412 N SER A 28 -0.025 10.953 -12.310 1.00 0.00 N ATOM 413 CA SER A 28 0.184 9.728 -13.062 1.00 0.00 C ATOM 414 C SER A 28 0.168 8.513 -12.139 1.00 0.00 C ATOM 415 O SER A 28 -0.411 7.479 -12.472 1.00 0.00 O ATOM 416 CB SER A 28 1.513 9.794 -13.821 1.00 0.00 C ATOM 417 OG SER A 28 1.674 8.677 -14.680 1.00 0.00 O ATOM 0 H SER A 28 0.797 11.554 -12.244 1.00 0.00 H new ATOM 0 HA SER A 28 -0.631 9.625 -13.779 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.555 10.713 -14.405 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.338 9.830 -13.110 1.00 0.00 H new ATOM 0 HG SER A 28 2.530 8.748 -15.152 1.00 0.00 H new ATOM 423 N VAL A 29 0.782 8.651 -10.970 1.00 0.00 N ATOM 424 CA VAL A 29 0.905 7.537 -10.046 1.00 0.00 C ATOM 425 C VAL A 29 -0.432 7.192 -9.413 1.00 0.00 C ATOM 426 O VAL A 29 -0.862 6.045 -9.462 1.00 0.00 O ATOM 427 CB VAL A 29 1.922 7.820 -8.936 1.00 0.00 C ATOM 428 CG1 VAL A 29 2.078 6.589 -8.066 1.00 0.00 C ATOM 429 CG2 VAL A 29 3.258 8.236 -9.528 1.00 0.00 C ATOM 0 H VAL A 29 1.200 9.522 -10.643 1.00 0.00 H new ATOM 0 HA VAL A 29 1.257 6.691 -10.636 1.00 0.00 H new ATOM 0 HB VAL A 29 1.559 8.644 -8.321 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.802 6.791 -7.276 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.116 6.334 -7.620 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.428 5.755 -8.675 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.967 8.433 -8.724 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.640 7.435 -10.161 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.126 9.139 -10.124 1.00 0.00 H new ATOM 439 N VAL A 30 -1.092 8.186 -8.825 1.00 0.00 N ATOM 440 CA VAL A 30 -2.360 7.955 -8.152 1.00 0.00 C ATOM 441 C VAL A 30 -3.405 7.407 -9.132 1.00 0.00 C ATOM 442 O VAL A 30 -4.206 6.540 -8.779 1.00 0.00 O ATOM 443 CB VAL A 30 -2.867 9.229 -7.459 1.00 0.00 C ATOM 444 CG1 VAL A 30 -3.255 10.280 -8.467 1.00 0.00 C ATOM 445 CG2 VAL A 30 -4.027 8.908 -6.532 1.00 0.00 C ATOM 0 H VAL A 30 -0.769 9.153 -8.802 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.195 7.205 -7.378 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.052 9.633 -6.858 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.610 11.170 -7.947 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.389 10.537 -9.076 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.048 9.894 -9.108 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.372 9.823 -6.051 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.843 8.471 -7.108 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.700 8.199 -5.771 1.00 0.00 H new ATOM 455 N ALA A 31 -3.360 7.895 -10.373 1.00 0.00 N ATOM 456 CA ALA A 31 -4.256 7.426 -11.422 1.00 0.00 C ATOM 457 C ALA A 31 -3.974 5.976 -11.778 1.00 0.00 C ATOM 458 O ALA A 31 -4.881 5.141 -11.809 1.00 0.00 O ATOM 459 CB ALA A 31 -4.081 8.275 -12.657 1.00 0.00 C ATOM 0 H ALA A 31 -2.707 8.619 -10.673 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.278 7.504 -11.051 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.752 7.922 -13.440 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.314 9.313 -12.421 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.050 8.204 -13.004 1.00 0.00 H new ATOM 465 N ASP A 32 -2.704 5.691 -12.055 1.00 0.00 N ATOM 466 CA ASP A 32 -2.283 4.354 -12.454 1.00 0.00 C ATOM 467 C ASP A 32 -2.521 3.370 -11.324 1.00 0.00 C ATOM 468 O ASP A 32 -2.915 2.225 -11.553 1.00 0.00 O ATOM 469 CB ASP A 32 -0.804 4.357 -12.843 1.00 0.00 C ATOM 470 CG ASP A 32 -0.308 2.987 -13.255 1.00 0.00 C ATOM 471 OD1 ASP A 32 -0.633 2.548 -14.375 1.00 0.00 O ATOM 472 OD2 ASP A 32 0.412 2.345 -12.462 1.00 0.00 O ATOM 0 H ASP A 32 -1.947 6.373 -12.010 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.873 4.048 -13.318 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.649 5.057 -13.664 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.211 4.716 -12.002 1.00 0.00 H new ATOM 477 N LEU A 33 -2.283 3.830 -10.102 1.00 0.00 N ATOM 478 CA LEU A 33 -2.592 3.048 -8.918 1.00 0.00 C ATOM 479 C LEU A 33 -4.053 2.607 -8.926 1.00 0.00 C ATOM 480 O LEU A 33 -4.355 1.415 -8.847 1.00 0.00 O ATOM 481 CB LEU A 33 -2.327 3.885 -7.670 1.00 0.00 C ATOM 482 CG LEU A 33 -2.289 3.108 -6.362 1.00 0.00 C ATOM 483 CD1 LEU A 33 -1.069 2.210 -6.335 1.00 0.00 C ATOM 484 CD2 LEU A 33 -2.287 4.059 -5.178 1.00 0.00 C ATOM 0 H LEU A 33 -1.875 4.745 -9.908 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.958 2.161 -8.915 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.375 4.402 -7.794 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.098 4.651 -7.596 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.182 2.487 -6.291 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.046 1.656 -5.397 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.114 1.510 -7.169 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.168 2.818 -6.420 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.260 3.486 -4.251 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.410 4.705 -5.231 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.189 4.670 -5.200 1.00 0.00 H new ATOM 496 N TYR A 34 -4.951 3.580 -9.019 1.00 0.00 N ATOM 497 CA TYR A 34 -6.390 3.306 -9.064 1.00 0.00 C ATOM 498 C TYR A 34 -6.893 2.616 -10.355 1.00 0.00 C ATOM 499 O TYR A 34 -8.106 2.563 -10.563 1.00 0.00 O ATOM 500 CB TYR A 34 -7.179 4.595 -8.825 1.00 0.00 C ATOM 501 CG TYR A 34 -7.024 5.139 -7.419 1.00 0.00 C ATOM 502 CD1 TYR A 34 -6.934 4.278 -6.331 1.00 0.00 C ATOM 503 CD2 TYR A 34 -6.959 6.504 -7.183 1.00 0.00 C ATOM 504 CE1 TYR A 34 -6.786 4.765 -5.047 1.00 0.00 C ATOM 505 CE2 TYR A 34 -6.808 6.998 -5.900 1.00 0.00 C ATOM 506 CZ TYR A 34 -6.722 6.124 -4.837 1.00 0.00 C ATOM 507 OH TYR A 34 -6.569 6.610 -3.560 1.00 0.00 O ATOM 0 H TYR A 34 -4.711 4.570 -9.065 1.00 0.00 H new ATOM 0 HA TYR A 34 -6.564 2.585 -8.265 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.851 5.351 -9.538 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.235 4.408 -9.021 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -6.981 3.211 -6.492 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.027 7.191 -8.013 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.721 4.083 -4.212 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -6.758 8.064 -5.732 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.541 7.589 -3.584 1.00 0.00 H new ATOM 517 N ASN A 35 -6.009 2.101 -11.229 1.00 0.00 N ATOM 518 CA ASN A 35 -6.455 1.526 -12.496 1.00 0.00 C ATOM 519 C ASN A 35 -7.422 0.373 -12.238 1.00 0.00 C ATOM 520 O ASN A 35 -7.153 -0.511 -11.421 1.00 0.00 O ATOM 521 CB ASN A 35 -5.256 1.046 -13.325 1.00 0.00 C ATOM 522 CG ASN A 35 -5.617 0.715 -14.767 1.00 0.00 C ATOM 523 OD1 ASN A 35 -6.716 0.249 -15.066 1.00 0.00 O ATOM 524 ND2 ASN A 35 -4.694 0.974 -15.681 1.00 0.00 N ATOM 0 H ASN A 35 -5.000 2.074 -11.079 1.00 0.00 H new ATOM 0 HA ASN A 35 -6.974 2.298 -13.064 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -4.486 1.817 -13.318 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -4.827 0.162 -12.853 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.885 0.787 -16.665 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -3.793 1.360 -15.400 1.00 0.00 H new ATOM 531 N PHE A 36 -8.555 0.408 -12.923 1.00 0.00 N ATOM 532 CA PHE A 36 -9.606 -0.575 -12.721 1.00 0.00 C ATOM 533 C PHE A 36 -9.183 -1.937 -13.257 1.00 0.00 C ATOM 534 O PHE A 36 -9.515 -2.973 -12.679 1.00 0.00 O ATOM 535 CB PHE A 36 -10.894 -0.110 -13.406 1.00 0.00 C ATOM 536 CG PHE A 36 -12.020 -1.100 -13.314 1.00 0.00 C ATOM 537 CD1 PHE A 36 -12.694 -1.293 -12.119 1.00 0.00 C ATOM 538 CD2 PHE A 36 -12.397 -1.842 -14.421 1.00 0.00 C ATOM 539 CE1 PHE A 36 -13.726 -2.207 -12.030 1.00 0.00 C ATOM 540 CE2 PHE A 36 -13.426 -2.758 -14.338 1.00 0.00 C ATOM 541 CZ PHE A 36 -14.091 -2.941 -13.140 1.00 0.00 C ATOM 0 H PHE A 36 -8.770 1.113 -13.629 1.00 0.00 H new ATOM 0 HA PHE A 36 -9.788 -0.673 -11.651 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -11.213 0.832 -12.959 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -10.684 0.091 -14.457 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -12.409 -0.722 -11.247 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -11.880 -1.702 -15.359 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -14.246 -2.347 -11.094 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -13.711 -3.331 -15.208 1.00 0.00 H new ATOM 0 HZ PHE A 36 -14.896 -3.658 -13.073 1.00 0.00 H new ATOM 551 N TRP A 37 -8.432 -1.931 -14.342 1.00 0.00 N ATOM 552 CA TRP A 37 -7.952 -3.163 -14.935 1.00 0.00 C ATOM 553 C TRP A 37 -6.681 -3.603 -14.237 1.00 0.00 C ATOM 554 O TRP A 37 -5.799 -2.791 -13.949 1.00 0.00 O ATOM 555 CB TRP A 37 -7.717 -2.982 -16.434 1.00 0.00 C ATOM 556 CG TRP A 37 -8.974 -2.668 -17.187 1.00 0.00 C ATOM 557 CD1 TRP A 37 -9.820 -3.564 -17.772 1.00 0.00 C ATOM 558 CD2 TRP A 37 -9.532 -1.371 -17.429 1.00 0.00 C ATOM 559 NE1 TRP A 37 -10.866 -2.904 -18.367 1.00 0.00 N ATOM 560 CE2 TRP A 37 -10.714 -1.558 -18.169 1.00 0.00 C ATOM 561 CE3 TRP A 37 -9.147 -0.069 -17.095 1.00 0.00 C ATOM 562 CZ2 TRP A 37 -11.515 -0.494 -18.576 1.00 0.00 C ATOM 563 CZ3 TRP A 37 -9.942 0.985 -17.499 1.00 0.00 C ATOM 564 CH2 TRP A 37 -11.114 0.767 -18.233 1.00 0.00 C ATOM 0 H TRP A 37 -8.141 -1.084 -14.831 1.00 0.00 H new ATOM 0 HA TRP A 37 -8.708 -3.938 -14.808 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -6.996 -2.179 -16.589 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -7.274 -3.891 -16.840 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -9.686 -4.636 -17.768 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -11.633 -3.345 -18.875 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -8.243 0.109 -16.531 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -12.420 -0.659 -19.142 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -9.655 1.995 -17.245 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -11.714 1.613 -18.535 1.00 0.00 H new ATOM 575 N LYS A 38 -6.593 -4.889 -13.962 1.00 0.00 N ATOM 576 CA LYS A 38 -5.519 -5.414 -13.148 1.00 0.00 C ATOM 577 C LYS A 38 -4.291 -5.696 -13.990 1.00 0.00 C ATOM 578 O LYS A 38 -4.029 -6.839 -14.362 1.00 0.00 O ATOM 579 CB LYS A 38 -5.961 -6.676 -12.400 1.00 0.00 C ATOM 580 CG LYS A 38 -7.067 -6.435 -11.376 1.00 0.00 C ATOM 581 CD LYS A 38 -8.423 -6.192 -12.026 1.00 0.00 C ATOM 582 CE LYS A 38 -9.463 -5.762 -11.004 1.00 0.00 C ATOM 583 NZ LYS A 38 -9.144 -4.435 -10.415 1.00 0.00 N ATOM 0 H LYS A 38 -7.256 -5.591 -14.292 1.00 0.00 H new ATOM 0 HA LYS A 38 -5.260 -4.656 -12.409 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.305 -7.414 -13.125 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.098 -7.106 -11.893 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.136 -7.296 -10.711 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.805 -5.576 -10.759 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.327 -5.424 -12.794 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.757 -7.102 -12.525 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.444 -5.723 -11.478 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.522 -6.507 -10.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.960 -4.093 -9.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.319 -4.523 -9.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.929 -3.760 -11.176 1.00 0.00 H new ATOM 597 N ASP A 39 -3.602 -4.621 -14.359 1.00 0.00 N ATOM 598 CA ASP A 39 -2.300 -4.710 -15.028 1.00 0.00 C ATOM 599 C ASP A 39 -1.377 -5.757 -14.374 1.00 0.00 C ATOM 600 O ASP A 39 -0.882 -6.651 -15.068 1.00 0.00 O ATOM 601 CB ASP A 39 -1.618 -3.344 -15.037 1.00 0.00 C ATOM 602 CG ASP A 39 -0.413 -3.311 -15.952 1.00 0.00 C ATOM 603 OD1 ASP A 39 -0.595 -3.117 -17.172 1.00 0.00 O ATOM 604 OD2 ASP A 39 0.720 -3.472 -15.463 1.00 0.00 O ATOM 0 H ASP A 39 -3.925 -3.666 -14.206 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.485 -5.033 -16.052 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.333 -2.585 -15.354 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.309 -3.088 -14.024 1.00 0.00 H new ATOM 609 N ASP A 40 -1.132 -5.634 -13.054 1.00 0.00 N ATOM 610 CA ASP A 40 -0.392 -6.642 -12.283 1.00 0.00 C ATOM 611 C ASP A 40 1.103 -6.552 -12.586 1.00 0.00 C ATOM 612 O ASP A 40 1.822 -7.549 -12.611 1.00 0.00 O ATOM 613 CB ASP A 40 -0.940 -8.057 -12.553 1.00 0.00 C ATOM 614 CG ASP A 40 -0.388 -9.106 -11.602 1.00 0.00 C ATOM 615 OD1 ASP A 40 -0.575 -8.966 -10.374 1.00 0.00 O ATOM 616 OD2 ASP A 40 0.227 -10.085 -12.076 1.00 0.00 O ATOM 0 H ASP A 40 -1.441 -4.836 -12.499 1.00 0.00 H new ATOM 0 HA ASP A 40 -0.533 -6.438 -11.222 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -2.027 -8.040 -12.473 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -0.700 -8.343 -13.577 1.00 0.00 H new ATOM 621 N TYR A 41 1.560 -5.327 -12.795 1.00 0.00 N ATOM 622 CA TYR A 41 2.976 -5.052 -13.008 1.00 0.00 C ATOM 623 C TYR A 41 3.738 -5.077 -11.687 1.00 0.00 C ATOM 624 O TYR A 41 3.156 -5.278 -10.616 1.00 0.00 O ATOM 625 CB TYR A 41 3.178 -3.690 -13.699 1.00 0.00 C ATOM 626 CG TYR A 41 2.771 -2.473 -12.875 1.00 0.00 C ATOM 627 CD1 TYR A 41 2.057 -2.598 -11.691 1.00 0.00 C ATOM 628 CD2 TYR A 41 3.113 -1.194 -13.294 1.00 0.00 C ATOM 629 CE1 TYR A 41 1.691 -1.491 -10.951 1.00 0.00 C ATOM 630 CE2 TYR A 41 2.752 -0.081 -12.561 1.00 0.00 C ATOM 631 CZ TYR A 41 2.041 -0.235 -11.390 1.00 0.00 C ATOM 632 OH TYR A 41 1.679 0.870 -10.658 1.00 0.00 O ATOM 0 H TYR A 41 0.965 -4.499 -12.822 1.00 0.00 H new ATOM 0 HA TYR A 41 3.368 -5.835 -13.658 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.230 -3.590 -13.968 1.00 0.00 H new ATOM 0 HB3 TYR A 41 2.609 -3.685 -14.629 1.00 0.00 H new ATOM 0 HD1 TYR A 41 1.782 -3.582 -11.341 1.00 0.00 H new ATOM 0 HD2 TYR A 41 3.671 -1.068 -14.210 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.134 -1.610 -10.034 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.025 0.906 -12.904 1.00 0.00 H new ATOM 0 HH TYR A 41 1.445 1.602 -11.265 1.00 0.00 H new ATOM 642 N VAL A 42 5.037 -4.880 -11.774 1.00 0.00 N ATOM 643 CA VAL A 42 5.871 -4.762 -10.593 1.00 0.00 C ATOM 644 C VAL A 42 5.835 -3.323 -10.099 1.00 0.00 C ATOM 645 O VAL A 42 6.279 -2.409 -10.793 1.00 0.00 O ATOM 646 CB VAL A 42 7.331 -5.171 -10.883 1.00 0.00 C ATOM 647 CG1 VAL A 42 8.160 -5.157 -9.606 1.00 0.00 C ATOM 648 CG2 VAL A 42 7.380 -6.543 -11.537 1.00 0.00 C ATOM 0 H VAL A 42 5.542 -4.798 -12.656 1.00 0.00 H new ATOM 0 HA VAL A 42 5.480 -5.436 -9.831 1.00 0.00 H new ATOM 0 HB VAL A 42 7.758 -4.444 -11.574 1.00 0.00 H new ATOM 0 HG11 VAL A 42 9.185 -5.448 -9.835 1.00 0.00 H new ATOM 0 HG12 VAL A 42 8.154 -4.154 -9.180 1.00 0.00 H new ATOM 0 HG13 VAL A 42 7.735 -5.859 -8.888 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.417 -6.815 -11.734 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.932 -7.280 -10.871 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.826 -6.519 -12.476 1.00 0.00 H new ATOM 658 N MET A 43 5.279 -3.128 -8.912 1.00 0.00 N ATOM 659 CA MET A 43 5.137 -1.797 -8.334 1.00 0.00 C ATOM 660 C MET A 43 6.499 -1.201 -8.006 1.00 0.00 C ATOM 661 O MET A 43 7.125 -1.570 -7.018 1.00 0.00 O ATOM 662 CB MET A 43 4.271 -1.869 -7.074 1.00 0.00 C ATOM 663 CG MET A 43 3.980 -0.517 -6.445 1.00 0.00 C ATOM 664 SD MET A 43 2.811 -0.633 -5.074 1.00 0.00 S ATOM 665 CE MET A 43 1.361 -1.261 -5.918 1.00 0.00 C ATOM 0 H MET A 43 4.916 -3.880 -8.326 1.00 0.00 H new ATOM 0 HA MET A 43 4.652 -1.150 -9.065 1.00 0.00 H new ATOM 0 HB2 MET A 43 3.327 -2.353 -7.322 1.00 0.00 H new ATOM 0 HB3 MET A 43 4.770 -2.500 -6.339 1.00 0.00 H new ATOM 0 HG2 MET A 43 4.911 -0.077 -6.088 1.00 0.00 H new ATOM 0 HG3 MET A 43 3.580 0.155 -7.204 1.00 0.00 H new ATOM 0 HE1 MET A 43 0.472 -1.042 -5.326 1.00 0.00 H new ATOM 0 HE2 MET A 43 1.274 -0.785 -6.895 1.00 0.00 H new ATOM 0 HE3 MET A 43 1.454 -2.339 -6.047 1.00 0.00 H new ATOM 675 N THR A 44 6.962 -0.297 -8.856 1.00 0.00 N ATOM 676 CA THR A 44 8.268 0.319 -8.684 1.00 0.00 C ATOM 677 C THR A 44 8.171 1.704 -8.044 1.00 0.00 C ATOM 678 O THR A 44 9.041 2.094 -7.261 1.00 0.00 O ATOM 679 CB THR A 44 8.990 0.420 -10.040 1.00 0.00 C ATOM 680 OG1 THR A 44 8.041 0.746 -11.067 1.00 0.00 O ATOM 681 CG2 THR A 44 9.695 -0.886 -10.378 1.00 0.00 C ATOM 0 H THR A 44 6.449 0.027 -9.676 1.00 0.00 H new ATOM 0 HA THR A 44 8.840 -0.318 -8.009 1.00 0.00 H new ATOM 0 HB THR A 44 9.742 1.206 -9.976 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.502 0.812 -11.929 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.198 -0.790 -11.340 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.430 -1.113 -9.606 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.963 -1.692 -10.430 1.00 0.00 H new ATOM 689 N ASP A 45 7.111 2.442 -8.366 1.00 0.00 N ATOM 690 CA ASP A 45 6.949 3.797 -7.849 1.00 0.00 C ATOM 691 C ASP A 45 6.655 3.774 -6.360 1.00 0.00 C ATOM 692 O ASP A 45 5.651 3.224 -5.902 1.00 0.00 O ATOM 693 CB ASP A 45 5.843 4.541 -8.595 1.00 0.00 C ATOM 694 CG ASP A 45 5.975 6.044 -8.434 1.00 0.00 C ATOM 695 OD1 ASP A 45 5.878 6.540 -7.291 1.00 0.00 O ATOM 696 OD2 ASP A 45 6.216 6.734 -9.447 1.00 0.00 O ATOM 0 H ASP A 45 6.358 2.127 -8.977 1.00 0.00 H new ATOM 0 HA ASP A 45 7.887 4.328 -8.010 1.00 0.00 H new ATOM 0 HB2 ASP A 45 5.880 4.283 -9.653 1.00 0.00 H new ATOM 0 HB3 ASP A 45 4.871 4.218 -8.222 1.00 0.00 H new ATOM 701 N ARG A 46 7.579 4.366 -5.628 1.00 0.00 N ATOM 702 CA ARG A 46 7.469 4.578 -4.184 1.00 0.00 C ATOM 703 C ARG A 46 6.116 5.172 -3.774 1.00 0.00 C ATOM 704 O ARG A 46 5.571 4.810 -2.728 1.00 0.00 O ATOM 705 CB ARG A 46 8.615 5.483 -3.674 1.00 0.00 C ATOM 706 CG ARG A 46 8.676 6.889 -4.284 1.00 0.00 C ATOM 707 CD ARG A 46 8.852 6.856 -5.799 1.00 0.00 C ATOM 708 NE ARG A 46 10.184 6.412 -6.210 1.00 0.00 N ATOM 709 CZ ARG A 46 10.604 6.414 -7.477 1.00 0.00 C ATOM 710 NH1 ARG A 46 9.827 6.909 -8.436 1.00 0.00 N ATOM 711 NH2 ARG A 46 11.810 5.947 -7.778 1.00 0.00 N ATOM 0 H ARG A 46 8.449 4.724 -6.022 1.00 0.00 H new ATOM 0 HA ARG A 46 7.548 3.594 -3.721 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.522 5.580 -2.592 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.563 4.981 -3.869 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.762 7.429 -4.038 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.502 7.441 -3.836 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.104 6.192 -6.232 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.666 7.851 -6.203 1.00 0.00 H new ATOM 0 HE ARG A 46 10.827 6.083 -5.489 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.909 7.288 -8.204 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.149 6.910 -9.404 1.00 0.00 H new ATOM 0 HH21 ARG A 46 12.416 5.587 -7.041 1.00 0.00 H new ATOM 0 HH22 ARG A 46 12.130 5.949 -8.746 1.00 0.00 H new ATOM 725 N LEU A 47 5.562 6.070 -4.588 1.00 0.00 N ATOM 726 CA LEU A 47 4.297 6.708 -4.241 1.00 0.00 C ATOM 727 C LEU A 47 3.141 5.717 -4.283 1.00 0.00 C ATOM 728 O LEU A 47 2.110 5.935 -3.649 1.00 0.00 O ATOM 729 CB LEU A 47 3.987 7.912 -5.147 1.00 0.00 C ATOM 730 CG LEU A 47 4.577 9.249 -4.694 1.00 0.00 C ATOM 731 CD1 LEU A 47 4.227 9.525 -3.240 1.00 0.00 C ATOM 732 CD2 LEU A 47 6.077 9.276 -4.912 1.00 0.00 C ATOM 0 H LEU A 47 5.963 6.367 -5.478 1.00 0.00 H new ATOM 0 HA LEU A 47 4.408 7.073 -3.220 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.355 7.694 -6.150 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.905 8.019 -5.221 1.00 0.00 H new ATOM 0 HG LEU A 47 4.138 10.041 -5.300 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.656 10.480 -2.938 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.143 9.562 -3.127 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.630 8.731 -2.612 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.475 10.236 -4.583 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.542 8.474 -4.339 1.00 0.00 H new ATOM 0 HD23 LEU A 47 6.293 9.137 -5.971 1.00 0.00 H new ATOM 744 N ALA A 48 3.321 4.610 -4.988 1.00 0.00 N ATOM 745 CA ALA A 48 2.278 3.615 -5.091 1.00 0.00 C ATOM 746 C ALA A 48 2.292 2.758 -3.844 1.00 0.00 C ATOM 747 O ALA A 48 1.276 2.618 -3.160 1.00 0.00 O ATOM 748 CB ALA A 48 2.474 2.775 -6.339 1.00 0.00 C ATOM 0 H ALA A 48 4.178 4.384 -5.493 1.00 0.00 H new ATOM 0 HA ALA A 48 1.307 4.102 -5.173 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.681 2.030 -6.404 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.441 3.417 -7.219 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.441 2.274 -6.292 1.00 0.00 H new ATOM 754 N GLY A 49 3.458 2.178 -3.573 1.00 0.00 N ATOM 755 CA GLY A 49 3.719 1.538 -2.290 1.00 0.00 C ATOM 756 C GLY A 49 3.125 2.268 -1.079 1.00 0.00 C ATOM 757 O GLY A 49 2.571 1.621 -0.189 1.00 0.00 O ATOM 0 H GLY A 49 4.239 2.139 -4.228 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.321 0.524 -2.317 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.797 1.454 -2.154 1.00 0.00 H new ATOM 761 N CYS A 50 3.232 3.600 -1.017 1.00 0.00 N ATOM 762 CA CYS A 50 2.675 4.340 0.111 1.00 0.00 C ATOM 763 C CYS A 50 1.162 4.543 -0.021 1.00 0.00 C ATOM 764 O CYS A 50 0.420 4.337 0.937 1.00 0.00 O ATOM 765 CB CYS A 50 3.371 5.698 0.267 1.00 0.00 C ATOM 766 SG CYS A 50 4.873 5.655 1.303 1.00 0.00 S ATOM 0 H CYS A 50 3.691 4.175 -1.723 1.00 0.00 H new ATOM 0 HA CYS A 50 2.854 3.739 1.002 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.636 6.073 -0.721 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.665 6.408 0.699 1.00 0.00 H new ATOM 771 N ALA A 51 0.704 4.909 -1.214 1.00 0.00 N ATOM 772 CA ALA A 51 -0.700 5.266 -1.416 1.00 0.00 C ATOM 773 C ALA A 51 -1.626 4.057 -1.336 1.00 0.00 C ATOM 774 O ALA A 51 -2.816 4.197 -1.049 1.00 0.00 O ATOM 775 CB ALA A 51 -0.878 5.980 -2.744 1.00 0.00 C ATOM 0 H ALA A 51 1.280 4.967 -2.054 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.979 5.938 -0.605 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.928 6.239 -2.880 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.276 6.889 -2.752 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.558 5.325 -3.555 1.00 0.00 H new ATOM 781 N ILE A 52 -1.091 2.869 -1.581 1.00 0.00 N ATOM 782 CA ILE A 52 -1.891 1.656 -1.497 1.00 0.00 C ATOM 783 C ILE A 52 -2.187 1.315 -0.034 1.00 0.00 C ATOM 784 O ILE A 52 -3.202 0.690 0.278 1.00 0.00 O ATOM 785 CB ILE A 52 -1.202 0.458 -2.202 1.00 0.00 C ATOM 786 CG1 ILE A 52 -2.147 -0.744 -2.279 1.00 0.00 C ATOM 787 CG2 ILE A 52 0.087 0.069 -1.493 1.00 0.00 C ATOM 788 CD1 ILE A 52 -3.392 -0.486 -3.103 1.00 0.00 C ATOM 0 H ILE A 52 -0.115 2.720 -1.837 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.830 1.845 -2.017 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.952 0.771 -3.216 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.609 -1.591 -2.704 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.442 -1.028 -1.269 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.547 -0.773 -2.010 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.774 0.915 -1.496 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.135 -0.214 -0.464 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.014 -1.381 -3.113 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.953 0.340 -2.666 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.106 -0.231 -4.124 1.00 0.00 H new ATOM 800 N ASN A 53 -1.320 1.777 0.860 1.00 0.00 N ATOM 801 CA ASN A 53 -1.455 1.492 2.283 1.00 0.00 C ATOM 802 C ASN A 53 -1.414 2.783 3.084 1.00 0.00 C ATOM 803 O ASN A 53 -0.782 2.854 4.139 1.00 0.00 O ATOM 804 CB ASN A 53 -0.328 0.564 2.752 1.00 0.00 C ATOM 805 CG ASN A 53 -0.476 -0.855 2.241 1.00 0.00 C ATOM 806 OD1 ASN A 53 -1.585 -1.358 2.072 1.00 0.00 O ATOM 807 ND2 ASN A 53 0.645 -1.511 1.986 1.00 0.00 N ATOM 0 H ASN A 53 -0.513 2.353 0.622 1.00 0.00 H new ATOM 0 HA ASN A 53 -2.414 0.999 2.444 1.00 0.00 H new ATOM 0 HB2 ASN A 53 0.629 0.966 2.418 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -0.306 0.551 3.842 1.00 0.00 H new ATOM 0 HD21 ASN A 53 0.607 -2.468 1.636 1.00 0.00 H new ATOM 0 HD22 ASN A 53 1.546 -1.059 2.139 1.00 0.00 H new ATOM 814 N CYS A 54 -2.116 3.795 2.606 1.00 0.00 N ATOM 815 CA CYS A 54 -2.094 5.088 3.262 1.00 0.00 C ATOM 816 C CYS A 54 -3.266 5.218 4.231 1.00 0.00 C ATOM 817 O CYS A 54 -3.092 5.632 5.374 1.00 0.00 O ATOM 818 CB CYS A 54 -2.127 6.227 2.232 1.00 0.00 C ATOM 819 SG CYS A 54 -3.670 6.335 1.261 1.00 0.00 S ATOM 0 H CYS A 54 -2.703 3.747 1.773 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.164 5.163 3.826 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -1.974 7.173 2.752 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.290 6.102 1.545 1.00 0.00 H new ATOM 824 N LEU A 55 -4.445 4.804 3.782 1.00 0.00 N ATOM 825 CA LEU A 55 -5.684 5.041 4.517 1.00 0.00 C ATOM 826 C LEU A 55 -5.673 4.388 5.898 1.00 0.00 C ATOM 827 O LEU A 55 -5.966 5.039 6.902 1.00 0.00 O ATOM 828 CB LEU A 55 -6.877 4.543 3.700 1.00 0.00 C ATOM 829 CG LEU A 55 -7.966 5.588 3.442 1.00 0.00 C ATOM 830 CD1 LEU A 55 -8.951 5.081 2.404 1.00 0.00 C ATOM 831 CD2 LEU A 55 -8.692 5.937 4.733 1.00 0.00 C ATOM 0 H LEU A 55 -4.570 4.298 2.905 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.773 6.116 4.674 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.513 4.175 2.741 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.324 3.695 4.218 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.490 6.491 3.060 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -9.719 5.835 2.232 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.425 4.879 1.471 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.418 4.164 2.763 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.462 6.681 4.528 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.155 5.040 5.144 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.980 6.340 5.453 1.00 0.00 H new ATOM 843 N ALA A 56 -5.263 3.130 5.966 1.00 0.00 N ATOM 844 CA ALA A 56 -5.334 2.396 7.224 1.00 0.00 C ATOM 845 C ALA A 56 -4.167 2.774 8.119 1.00 0.00 C ATOM 846 O ALA A 56 -4.155 2.468 9.309 1.00 0.00 O ATOM 847 CB ALA A 56 -5.349 0.897 6.967 1.00 0.00 C ATOM 0 H ALA A 56 -4.884 2.602 5.180 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.261 2.664 7.732 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.402 0.365 7.917 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.216 0.641 6.359 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.439 0.609 6.441 1.00 0.00 H new ATOM 853 N THR A 57 -3.199 3.461 7.538 1.00 0.00 N ATOM 854 CA THR A 57 -2.088 3.997 8.292 1.00 0.00 C ATOM 855 C THR A 57 -2.465 5.345 8.918 1.00 0.00 C ATOM 856 O THR A 57 -2.021 5.683 10.017 1.00 0.00 O ATOM 857 CB THR A 57 -0.840 4.152 7.403 1.00 0.00 C ATOM 858 OG1 THR A 57 -0.483 2.885 6.832 1.00 0.00 O ATOM 859 CG2 THR A 57 0.324 4.692 8.199 1.00 0.00 C ATOM 0 H THR A 57 -3.164 3.660 6.538 1.00 0.00 H new ATOM 0 HA THR A 57 -1.852 3.293 9.090 1.00 0.00 H new ATOM 0 HB THR A 57 -1.076 4.858 6.607 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.712 2.880 5.879 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.194 4.793 7.549 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.063 5.667 8.609 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.557 4.006 9.014 1.00 0.00 H new ATOM 867 N LYS A 58 -3.296 6.110 8.215 1.00 0.00 N ATOM 868 CA LYS A 58 -3.728 7.416 8.706 1.00 0.00 C ATOM 869 C LYS A 58 -4.764 7.284 9.822 1.00 0.00 C ATOM 870 O LYS A 58 -4.918 8.205 10.622 1.00 0.00 O ATOM 871 CB LYS A 58 -4.296 8.274 7.564 1.00 0.00 C ATOM 872 CG LYS A 58 -3.374 8.437 6.352 1.00 0.00 C ATOM 873 CD LYS A 58 -2.213 9.406 6.587 1.00 0.00 C ATOM 874 CE LYS A 58 -2.665 10.681 7.281 1.00 0.00 C ATOM 875 NZ LYS A 58 -1.514 11.533 7.668 1.00 0.00 N ATOM 0 H LYS A 58 -3.682 5.850 7.308 1.00 0.00 H new ATOM 0 HA LYS A 58 -2.847 7.911 9.115 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.234 7.831 7.230 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.532 9.263 7.957 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.972 7.461 6.079 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.962 8.788 5.504 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.449 8.916 7.191 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.752 9.657 5.632 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.326 11.241 6.619 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.244 10.426 8.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.837 12.512 7.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.103 11.179 8.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.794 11.506 6.918 1.00 0.00 H new ATOM 889 N LEU A 59 -5.485 6.162 9.875 1.00 0.00 N ATOM 890 CA LEU A 59 -6.396 5.921 10.990 1.00 0.00 C ATOM 891 C LEU A 59 -5.628 5.779 12.307 1.00 0.00 C ATOM 892 O LEU A 59 -5.770 6.618 13.197 1.00 0.00 O ATOM 893 CB LEU A 59 -7.270 4.682 10.743 1.00 0.00 C ATOM 894 CG LEU A 59 -8.599 4.935 10.016 1.00 0.00 C ATOM 895 CD1 LEU A 59 -9.491 5.852 10.837 1.00 0.00 C ATOM 896 CD2 LEU A 59 -8.370 5.525 8.635 1.00 0.00 C ATOM 0 H LEU A 59 -5.456 5.422 9.174 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.053 6.787 11.066 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.692 3.963 10.163 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.487 4.216 11.704 1.00 0.00 H new ATOM 0 HG LEU A 59 -9.098 3.974 9.895 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -10.428 6.020 10.306 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -9.699 5.389 11.802 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.987 6.806 10.993 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -9.330 5.692 8.147 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.840 6.473 8.728 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.775 4.834 8.038 1.00 0.00 H new ATOM 908 N ASP A 60 -4.809 4.732 12.429 1.00 0.00 N ATOM 909 CA ASP A 60 -4.063 4.483 13.664 1.00 0.00 C ATOM 910 C ASP A 60 -3.165 3.268 13.505 1.00 0.00 C ATOM 911 O ASP A 60 -3.650 2.153 13.307 1.00 0.00 O ATOM 912 CB ASP A 60 -5.001 4.272 14.854 1.00 0.00 C ATOM 913 CG ASP A 60 -4.242 4.032 16.144 1.00 0.00 C ATOM 914 OD1 ASP A 60 -3.374 4.859 16.491 1.00 0.00 O ATOM 915 OD2 ASP A 60 -4.529 3.025 16.829 1.00 0.00 O ATOM 0 H ASP A 60 -4.646 4.046 11.692 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.453 5.365 13.860 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.642 5.146 14.969 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -5.653 3.422 14.654 1.00 0.00 H new ATOM 920 N VAL A 61 -1.864 3.482 13.596 1.00 0.00 N ATOM 921 CA VAL A 61 -0.904 2.406 13.406 1.00 0.00 C ATOM 922 C VAL A 61 0.490 2.853 13.873 1.00 0.00 C ATOM 923 O VAL A 61 1.523 2.430 13.351 1.00 0.00 O ATOM 924 CB VAL A 61 -0.880 1.993 11.915 1.00 0.00 C ATOM 925 CG1 VAL A 61 -0.350 3.125 11.061 1.00 0.00 C ATOM 926 CG2 VAL A 61 -0.074 0.726 11.692 1.00 0.00 C ATOM 0 H VAL A 61 -1.447 4.390 13.800 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.201 1.544 14.003 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.906 1.779 11.616 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.340 2.818 10.015 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.991 3.999 11.176 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.663 3.375 11.376 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.083 0.471 10.632 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.954 0.886 12.018 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.513 -0.090 12.265 1.00 0.00 H new ATOM 936 N VAL A 62 0.517 3.685 14.901 1.00 0.00 N ATOM 937 CA VAL A 62 1.777 4.226 15.389 1.00 0.00 C ATOM 938 C VAL A 62 2.172 3.601 16.728 1.00 0.00 C ATOM 939 O VAL A 62 1.449 3.707 17.720 1.00 0.00 O ATOM 940 CB VAL A 62 1.741 5.771 15.498 1.00 0.00 C ATOM 941 CG1 VAL A 62 1.566 6.396 14.124 1.00 0.00 C ATOM 942 CG2 VAL A 62 0.638 6.244 16.436 1.00 0.00 C ATOM 0 H VAL A 62 -0.309 3.999 15.410 1.00 0.00 H new ATOM 0 HA VAL A 62 2.537 3.964 14.653 1.00 0.00 H new ATOM 0 HB VAL A 62 2.694 6.093 15.917 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.543 7.482 14.218 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.399 6.105 13.483 1.00 0.00 H new ATOM 0 HG13 VAL A 62 0.631 6.050 13.683 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.645 7.333 16.486 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.328 5.904 16.062 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.807 5.834 17.432 1.00 0.00 H new ATOM 952 N ASP A 63 3.302 2.894 16.737 1.00 0.00 N ATOM 953 CA ASP A 63 3.817 2.300 17.965 1.00 0.00 C ATOM 954 C ASP A 63 4.380 3.373 18.911 1.00 0.00 C ATOM 955 O ASP A 63 3.950 3.459 20.062 1.00 0.00 O ATOM 956 CB ASP A 63 4.894 1.247 17.658 1.00 0.00 C ATOM 957 CG ASP A 63 4.786 0.031 18.556 1.00 0.00 C ATOM 958 OD1 ASP A 63 5.344 0.061 19.673 1.00 0.00 O ATOM 959 OD2 ASP A 63 4.147 -0.956 18.146 1.00 0.00 O ATOM 0 H ASP A 63 3.874 2.721 15.911 1.00 0.00 H new ATOM 0 HA ASP A 63 2.982 1.808 18.464 1.00 0.00 H new ATOM 0 HB2 ASP A 63 4.807 0.935 16.617 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.881 1.695 17.775 1.00 0.00 H new ATOM 964 N PRO A 64 5.335 4.219 18.454 1.00 0.00 N ATOM 965 CA PRO A 64 6.005 5.200 19.305 1.00 0.00 C ATOM 966 C PRO A 64 5.295 6.558 19.310 1.00 0.00 C ATOM 967 O PRO A 64 4.076 6.634 19.155 1.00 0.00 O ATOM 968 CB PRO A 64 7.397 5.317 18.648 1.00 0.00 C ATOM 969 CG PRO A 64 7.340 4.459 17.420 1.00 0.00 C ATOM 970 CD PRO A 64 5.884 4.314 17.105 1.00 0.00 C ATOM 0 HA PRO A 64 6.026 4.897 20.352 1.00 0.00 H new ATOM 0 HB2 PRO A 64 7.623 6.352 18.392 1.00 0.00 H new ATOM 0 HB3 PRO A 64 8.180 4.978 19.326 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.877 4.922 16.592 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.802 3.488 17.597 1.00 0.00 H new ATOM 0 HD2 PRO A 64 5.490 5.169 16.555 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.674 3.427 16.507 1.00 0.00 H new ATOM 978 N ASP A 65 6.078 7.627 19.456 1.00 0.00 N ATOM 979 CA ASP A 65 5.549 8.986 19.612 1.00 0.00 C ATOM 980 C ASP A 65 5.010 9.556 18.303 1.00 0.00 C ATOM 981 O ASP A 65 4.577 10.706 18.245 1.00 0.00 O ATOM 982 CB ASP A 65 6.647 9.908 20.145 1.00 0.00 C ATOM 983 CG ASP A 65 7.736 10.184 19.127 1.00 0.00 C ATOM 984 OD1 ASP A 65 8.499 9.252 18.793 1.00 0.00 O ATOM 985 OD2 ASP A 65 7.855 11.342 18.674 1.00 0.00 O ATOM 0 H ASP A 65 7.097 7.577 19.470 1.00 0.00 H new ATOM 0 HA ASP A 65 4.719 8.929 20.316 1.00 0.00 H new ATOM 0 HB2 ASP A 65 6.201 10.853 20.456 1.00 0.00 H new ATOM 0 HB3 ASP A 65 7.092 9.458 21.032 1.00 0.00 H new ATOM 990 N GLY A 66 5.039 8.755 17.258 1.00 0.00 N ATOM 991 CA GLY A 66 4.595 9.215 15.964 1.00 0.00 C ATOM 992 C GLY A 66 5.362 8.547 14.853 1.00 0.00 C ATOM 993 O GLY A 66 4.799 7.818 14.038 1.00 0.00 O ATOM 0 H GLY A 66 5.364 7.788 17.281 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.531 9.010 15.848 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.721 10.296 15.897 1.00 0.00 H new ATOM 997 N ASN A 67 6.661 8.770 14.852 1.00 0.00 N ATOM 998 CA ASN A 67 7.534 8.221 13.824 1.00 0.00 C ATOM 999 C ASN A 67 8.012 6.833 14.217 1.00 0.00 C ATOM 1000 O ASN A 67 7.886 6.447 15.375 1.00 0.00 O ATOM 1001 CB ASN A 67 8.736 9.147 13.587 1.00 0.00 C ATOM 1002 CG ASN A 67 9.439 9.582 14.870 1.00 0.00 C ATOM 1003 OD1 ASN A 67 9.462 8.725 15.886 1.00 0.00 O flip ATOM 1004 ND2 ASN A 67 9.969 10.687 14.945 1.00 0.00 N flip ATOM 0 H ASN A 67 7.142 9.331 15.555 1.00 0.00 H new ATOM 0 HA ASN A 67 6.965 8.145 12.897 1.00 0.00 H new ATOM 0 HB2 ASN A 67 9.454 8.638 12.945 1.00 0.00 H new ATOM 0 HB3 ASN A 67 8.400 10.033 13.049 1.00 0.00 H new ATOM 0 HD21 ASN A 67 9.935 11.324 14.149 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.443 10.968 15.803 1.00 0.00 H new ATOM 1011 N LEU A 68 8.539 6.092 13.248 1.00 0.00 N ATOM 1012 CA LEU A 68 9.174 4.796 13.499 1.00 0.00 C ATOM 1013 C LEU A 68 8.131 3.752 13.919 1.00 0.00 C ATOM 1014 O LEU A 68 8.429 2.794 14.626 1.00 0.00 O ATOM 1015 CB LEU A 68 10.285 4.967 14.562 1.00 0.00 C ATOM 1016 CG LEU A 68 11.368 3.872 14.628 1.00 0.00 C ATOM 1017 CD1 LEU A 68 11.111 2.921 15.786 1.00 0.00 C ATOM 1018 CD2 LEU A 68 11.456 3.104 13.314 1.00 0.00 C ATOM 0 H LEU A 68 8.540 6.369 12.266 1.00 0.00 H new ATOM 0 HA LEU A 68 9.634 4.430 12.581 1.00 0.00 H new ATOM 0 HB2 LEU A 68 10.780 5.922 14.384 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.810 5.032 15.541 1.00 0.00 H new ATOM 0 HG LEU A 68 12.326 4.365 14.796 1.00 0.00 H new ATOM 0 HD11 LEU A 68 11.889 2.158 15.810 1.00 0.00 H new ATOM 0 HD12 LEU A 68 11.120 3.478 16.723 1.00 0.00 H new ATOM 0 HD13 LEU A 68 10.139 2.444 15.656 1.00 0.00 H new ATOM 0 HD21 LEU A 68 12.228 2.339 13.391 1.00 0.00 H new ATOM 0 HD22 LEU A 68 10.496 2.632 13.104 1.00 0.00 H new ATOM 0 HD23 LEU A 68 11.706 3.792 12.506 1.00 0.00 H new ATOM 1030 N HIS A 69 6.901 3.921 13.453 1.00 0.00 N ATOM 1031 CA HIS A 69 5.847 2.954 13.721 1.00 0.00 C ATOM 1032 C HIS A 69 5.938 1.744 12.784 1.00 0.00 C ATOM 1033 O HIS A 69 5.084 1.539 11.924 1.00 0.00 O ATOM 1034 CB HIS A 69 4.462 3.619 13.616 1.00 0.00 C ATOM 1035 CG HIS A 69 4.192 4.348 12.324 1.00 0.00 C ATOM 1036 ND1 HIS A 69 3.365 3.855 11.336 1.00 0.00 N ATOM 1037 CD2 HIS A 69 4.621 5.555 11.879 1.00 0.00 C ATOM 1038 CE1 HIS A 69 3.299 4.725 10.345 1.00 0.00 C ATOM 1039 NE2 HIS A 69 4.051 5.764 10.648 1.00 0.00 N ATOM 0 H HIS A 69 6.609 4.718 12.888 1.00 0.00 H new ATOM 0 HA HIS A 69 5.984 2.592 14.740 1.00 0.00 H new ATOM 0 HB2 HIS A 69 3.698 2.852 13.747 1.00 0.00 H new ATOM 0 HB3 HIS A 69 4.352 4.323 14.441 1.00 0.00 H new ATOM 0 HD2 HIS A 69 5.288 6.228 12.398 1.00 0.00 H new ATOM 0 HE1 HIS A 69 2.725 4.605 9.438 1.00 0.00 H new ATOM 0 HE2 HIS A 69 4.187 6.589 10.063 1.00 0.00 H new ATOM 1048 N HIS A 70 6.985 0.950 12.952 1.00 0.00 N ATOM 1049 CA HIS A 70 7.145 -0.276 12.181 1.00 0.00 C ATOM 1050 C HIS A 70 6.436 -1.435 12.884 1.00 0.00 C ATOM 1051 O HIS A 70 5.658 -2.177 12.270 1.00 0.00 O ATOM 1052 CB HIS A 70 8.630 -0.603 11.978 1.00 0.00 C ATOM 1053 CG HIS A 70 8.869 -1.632 10.913 1.00 0.00 C ATOM 1054 ND1 HIS A 70 8.146 -2.717 10.562 1.00 0.00 N flip ATOM 1055 CD2 HIS A 70 9.947 -1.603 10.058 1.00 0.00 C flip ATOM 1056 CE1 HIS A 70 8.788 -3.320 9.508 1.00 0.00 C flip ATOM 1057 NE2 HIS A 70 9.876 -2.623 9.226 1.00 0.00 N flip ATOM 0 H HIS A 70 7.738 1.132 13.616 1.00 0.00 H new ATOM 0 HA HIS A 70 6.693 -0.128 11.200 1.00 0.00 H new ATOM 0 HB2 HIS A 70 9.164 0.311 11.717 1.00 0.00 H new ATOM 0 HB3 HIS A 70 9.049 -0.960 12.919 1.00 0.00 H new ATOM 0 HD1 HIS A 70 7.280 -3.032 11.000 1.00 0.00 H new ATOM 0 HD2 HIS A 70 10.730 -0.859 10.067 1.00 0.00 H new ATOM 0 HE1 HIS A 70 8.460 -4.213 8.996 1.00 0.00 H new ATOM 1066 N GLY A 71 6.697 -1.561 14.184 1.00 0.00 N ATOM 1067 CA GLY A 71 6.153 -2.660 14.962 1.00 0.00 C ATOM 1068 C GLY A 71 4.640 -2.704 14.908 1.00 0.00 C ATOM 1069 O GLY A 71 4.049 -3.735 14.577 1.00 0.00 O ATOM 0 H GLY A 71 7.281 -0.915 14.715 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.556 -3.602 14.589 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.475 -2.564 15.999 1.00 0.00 H new ATOM 1073 N ASN A 72 4.021 -1.572 15.208 1.00 0.00 N ATOM 1074 CA ASN A 72 2.562 -1.461 15.211 1.00 0.00 C ATOM 1075 C ASN A 72 1.979 -1.766 13.831 1.00 0.00 C ATOM 1076 O ASN A 72 0.898 -2.325 13.728 1.00 0.00 O ATOM 1077 CB ASN A 72 2.127 -0.059 15.659 1.00 0.00 C ATOM 1078 CG ASN A 72 0.698 -0.020 16.187 1.00 0.00 C ATOM 1079 OD1 ASN A 72 -0.169 -0.763 15.736 1.00 0.00 O ATOM 1080 ND2 ASN A 72 0.444 0.845 17.159 1.00 0.00 N ATOM 0 H ASN A 72 4.506 -0.709 15.455 1.00 0.00 H new ATOM 0 HA ASN A 72 2.179 -2.197 15.918 1.00 0.00 H new ATOM 0 HB2 ASN A 72 2.805 0.295 16.435 1.00 0.00 H new ATOM 0 HB3 ASN A 72 2.217 0.629 14.819 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.494 0.907 17.554 1.00 0.00 H new ATOM 0 HD22 ASN A 72 1.187 1.448 17.512 1.00 0.00 H new ATOM 1087 N ALA A 73 2.709 -1.429 12.769 1.00 0.00 N ATOM 1088 CA ALA A 73 2.231 -1.668 11.412 1.00 0.00 C ATOM 1089 C ALA A 73 2.100 -3.160 11.147 1.00 0.00 C ATOM 1090 O ALA A 73 1.161 -3.613 10.486 1.00 0.00 O ATOM 1091 CB ALA A 73 3.170 -1.028 10.398 1.00 0.00 C ATOM 0 H ALA A 73 3.629 -0.992 12.823 1.00 0.00 H new ATOM 0 HA ALA A 73 1.246 -1.213 11.308 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.799 -1.215 9.390 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.217 0.047 10.573 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.167 -1.457 10.504 1.00 0.00 H new ATOM 1097 N LYS A 74 3.015 -3.934 11.707 1.00 0.00 N ATOM 1098 CA LYS A 74 2.965 -5.374 11.544 1.00 0.00 C ATOM 1099 C LYS A 74 1.944 -5.982 12.496 1.00 0.00 C ATOM 1100 O LYS A 74 1.248 -6.935 12.143 1.00 0.00 O ATOM 1101 CB LYS A 74 4.336 -5.993 11.761 1.00 0.00 C ATOM 1102 CG LYS A 74 5.352 -5.556 10.721 1.00 0.00 C ATOM 1103 CD LYS A 74 4.874 -5.838 9.300 1.00 0.00 C ATOM 1104 CE LYS A 74 5.047 -7.302 8.904 1.00 0.00 C ATOM 1105 NZ LYS A 74 4.186 -8.224 9.695 1.00 0.00 N ATOM 0 H LYS A 74 3.793 -3.593 12.272 1.00 0.00 H new ATOM 0 HA LYS A 74 2.656 -5.591 10.521 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.699 -5.722 12.752 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.246 -7.079 11.740 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.549 -4.490 10.832 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.295 -6.074 10.896 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.823 -5.563 9.213 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.427 -5.209 8.603 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.815 -7.416 7.845 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.091 -7.587 9.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 3.927 -9.044 9.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 4.705 -8.548 10.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 3.323 -7.725 9.992 1.00 0.00 H new ATOM 1119 N ASP A 75 1.850 -5.414 13.691 1.00 0.00 N ATOM 1120 CA ASP A 75 0.859 -5.845 14.675 1.00 0.00 C ATOM 1121 C ASP A 75 -0.554 -5.556 14.168 1.00 0.00 C ATOM 1122 O ASP A 75 -1.459 -6.378 14.309 1.00 0.00 O ATOM 1123 CB ASP A 75 1.098 -5.135 16.012 1.00 0.00 C ATOM 1124 CG ASP A 75 0.193 -5.642 17.116 1.00 0.00 C ATOM 1125 OD1 ASP A 75 -0.955 -5.164 17.223 1.00 0.00 O ATOM 1126 OD2 ASP A 75 0.635 -6.515 17.895 1.00 0.00 O ATOM 0 H ASP A 75 2.449 -4.651 14.006 1.00 0.00 H new ATOM 0 HA ASP A 75 0.961 -6.920 14.825 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.138 -5.271 16.310 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.941 -4.064 15.883 1.00 0.00 H new ATOM 1131 N PHE A 76 -0.719 -4.389 13.551 1.00 0.00 N ATOM 1132 CA PHE A 76 -1.996 -3.978 12.982 1.00 0.00 C ATOM 1133 C PHE A 76 -2.396 -4.920 11.856 1.00 0.00 C ATOM 1134 O PHE A 76 -3.566 -5.255 11.704 1.00 0.00 O ATOM 1135 CB PHE A 76 -1.900 -2.535 12.466 1.00 0.00 C ATOM 1136 CG PHE A 76 -3.206 -1.948 12.007 1.00 0.00 C ATOM 1137 CD1 PHE A 76 -4.115 -1.446 12.924 1.00 0.00 C ATOM 1138 CD2 PHE A 76 -3.520 -1.890 10.658 1.00 0.00 C ATOM 1139 CE1 PHE A 76 -5.313 -0.899 12.504 1.00 0.00 C ATOM 1140 CE2 PHE A 76 -4.714 -1.346 10.233 1.00 0.00 C ATOM 1141 CZ PHE A 76 -5.613 -0.849 11.156 1.00 0.00 C ATOM 0 H PHE A 76 0.028 -3.704 13.432 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.761 -4.022 13.758 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.492 -1.906 13.257 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.192 -2.505 11.638 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.885 -1.482 13.979 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.821 -2.276 9.931 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -6.014 -0.511 13.229 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.946 -1.309 9.179 1.00 0.00 H new ATOM 0 HZ PHE A 76 -6.548 -0.422 10.825 1.00 0.00 H new ATOM 1151 N ALA A 77 -1.412 -5.365 11.086 1.00 0.00 N ATOM 1152 CA ALA A 77 -1.659 -6.297 9.994 1.00 0.00 C ATOM 1153 C ALA A 77 -2.043 -7.677 10.521 1.00 0.00 C ATOM 1154 O ALA A 77 -2.848 -8.379 9.913 1.00 0.00 O ATOM 1155 CB ALA A 77 -0.428 -6.402 9.115 1.00 0.00 C ATOM 0 H ALA A 77 -0.435 -5.095 11.198 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.493 -5.916 9.405 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.621 -7.101 8.301 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.190 -5.421 8.703 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.413 -6.760 9.708 1.00 0.00 H new ATOM 1161 N MET A 78 -1.463 -8.061 11.651 1.00 0.00 N ATOM 1162 CA MET A 78 -1.760 -9.358 12.257 1.00 0.00 C ATOM 1163 C MET A 78 -3.128 -9.362 12.916 1.00 0.00 C ATOM 1164 O MET A 78 -3.823 -10.376 12.909 1.00 0.00 O ATOM 1165 CB MET A 78 -0.709 -9.747 13.300 1.00 0.00 C ATOM 1166 CG MET A 78 0.685 -9.933 12.734 1.00 0.00 C ATOM 1167 SD MET A 78 1.848 -10.599 13.939 1.00 0.00 S ATOM 1168 CE MET A 78 1.754 -9.359 15.232 1.00 0.00 C ATOM 0 H MET A 78 -0.787 -7.498 12.167 1.00 0.00 H new ATOM 0 HA MET A 78 -1.747 -10.087 11.447 1.00 0.00 H new ATOM 0 HB2 MET A 78 -0.677 -8.978 14.072 1.00 0.00 H new ATOM 0 HB3 MET A 78 -1.019 -10.673 13.785 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.637 -10.602 11.875 1.00 0.00 H new ATOM 0 HG3 MET A 78 1.055 -8.974 12.371 1.00 0.00 H new ATOM 0 HE1 MET A 78 2.308 -9.702 16.106 1.00 0.00 H new ATOM 0 HE2 MET A 78 2.185 -8.425 14.872 1.00 0.00 H new ATOM 0 HE3 MET A 78 0.711 -9.196 15.505 1.00 0.00 H new ATOM 1178 N LYS A 79 -3.513 -8.243 13.504 1.00 0.00 N ATOM 1179 CA LYS A 79 -4.784 -8.173 14.199 1.00 0.00 C ATOM 1180 C LYS A 79 -5.887 -7.704 13.252 1.00 0.00 C ATOM 1181 O LYS A 79 -7.069 -7.739 13.593 1.00 0.00 O ATOM 1182 CB LYS A 79 -4.665 -7.250 15.419 1.00 0.00 C ATOM 1183 CG LYS A 79 -5.779 -7.423 16.436 1.00 0.00 C ATOM 1184 CD LYS A 79 -5.515 -6.600 17.685 1.00 0.00 C ATOM 1185 CE LYS A 79 -6.591 -6.821 18.732 1.00 0.00 C ATOM 1186 NZ LYS A 79 -6.325 -6.057 19.977 1.00 0.00 N ATOM 0 H LYS A 79 -2.970 -7.380 13.514 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.052 -9.169 14.551 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.709 -7.434 15.909 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -4.655 -6.215 15.079 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -6.729 -7.123 15.993 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -5.871 -8.476 16.704 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -4.542 -6.866 18.099 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -5.472 -5.543 17.423 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -7.558 -6.525 18.325 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -6.655 -7.884 18.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -7.085 -6.238 20.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -5.415 -6.357 20.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -6.289 -5.041 19.760 1.00 0.00 H new ATOM 1200 N HIS A 80 -5.500 -7.265 12.055 1.00 0.00 N ATOM 1201 CA HIS A 80 -6.468 -6.794 11.070 1.00 0.00 C ATOM 1202 C HIS A 80 -6.071 -7.241 9.669 1.00 0.00 C ATOM 1203 O HIS A 80 -5.341 -6.539 8.971 1.00 0.00 O ATOM 1204 CB HIS A 80 -6.588 -5.262 11.090 1.00 0.00 C ATOM 1205 CG HIS A 80 -6.889 -4.679 12.435 1.00 0.00 C ATOM 1206 ND1 HIS A 80 -8.159 -4.350 12.851 1.00 0.00 N ATOM 1207 CD2 HIS A 80 -6.065 -4.367 13.460 1.00 0.00 C ATOM 1208 CE1 HIS A 80 -8.103 -3.861 14.075 1.00 0.00 C ATOM 1209 NE2 HIS A 80 -6.843 -3.863 14.467 1.00 0.00 N ATOM 0 H HIS A 80 -4.528 -7.226 11.747 1.00 0.00 H new ATOM 0 HA HIS A 80 -7.432 -7.228 11.334 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -5.656 -4.833 10.723 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -7.372 -4.963 10.395 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -4.992 -4.492 13.481 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -8.945 -3.517 14.657 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -6.504 -3.541 15.374 1.00 0.00 H new ATOM 1218 N GLY A 81 -6.529 -8.417 9.265 1.00 0.00 N ATOM 1219 CA GLY A 81 -6.297 -8.867 7.910 1.00 0.00 C ATOM 1220 C GLY A 81 -5.563 -10.188 7.847 1.00 0.00 C ATOM 1221 O GLY A 81 -6.167 -11.228 7.577 1.00 0.00 O ATOM 0 H GLY A 81 -7.056 -9.065 9.850 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.253 -8.963 7.396 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.722 -8.111 7.375 1.00 0.00 H new ATOM 1225 N ALA A 82 -4.268 -10.160 8.112 1.00 0.00 N ATOM 1226 CA ALA A 82 -3.441 -11.346 7.964 1.00 0.00 C ATOM 1227 C ALA A 82 -3.251 -12.062 9.284 1.00 0.00 C ATOM 1228 O ALA A 82 -3.134 -11.433 10.333 1.00 0.00 O ATOM 1229 CB ALA A 82 -2.081 -10.988 7.384 1.00 0.00 C ATOM 0 H ALA A 82 -3.767 -9.331 8.430 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.962 -12.015 7.279 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.480 -11.891 7.282 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.213 -10.528 6.405 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.575 -10.288 8.049 1.00 0.00 H new ATOM 1235 N ASP A 83 -3.232 -13.376 9.227 1.00 0.00 N ATOM 1236 CA ASP A 83 -2.854 -14.178 10.377 1.00 0.00 C ATOM 1237 C ASP A 83 -1.356 -14.167 10.517 1.00 0.00 C ATOM 1238 O ASP A 83 -0.624 -13.868 9.564 1.00 0.00 O ATOM 1239 CB ASP A 83 -3.412 -15.595 10.279 1.00 0.00 C ATOM 1240 CG ASP A 83 -3.176 -16.246 8.934 1.00 0.00 C ATOM 1241 OD1 ASP A 83 -4.006 -16.045 8.025 1.00 0.00 O ATOM 1242 OD2 ASP A 83 -2.177 -16.973 8.782 1.00 0.00 O ATOM 0 H ASP A 83 -3.474 -13.915 8.396 1.00 0.00 H new ATOM 0 HA ASP A 83 -3.290 -13.743 11.277 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -2.958 -16.210 11.056 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -4.483 -15.569 10.478 1.00 0.00 H new ATOM 1247 N GLU A 84 -0.908 -14.480 11.706 1.00 0.00 N ATOM 1248 CA GLU A 84 0.415 -14.170 12.128 1.00 0.00 C ATOM 1249 C GLU A 84 1.465 -14.857 11.271 1.00 0.00 C ATOM 1250 O GLU A 84 2.462 -14.257 10.902 1.00 0.00 O ATOM 1251 CB GLU A 84 0.550 -14.533 13.606 1.00 0.00 C ATOM 1252 CG GLU A 84 0.523 -16.023 13.938 1.00 0.00 C ATOM 1253 CD GLU A 84 -0.634 -16.772 13.315 1.00 0.00 C ATOM 1254 OE1 GLU A 84 -1.795 -16.419 13.595 1.00 0.00 O ATOM 1255 OE2 GLU A 84 -0.380 -17.698 12.521 1.00 0.00 O ATOM 0 H GLU A 84 -1.466 -14.963 12.410 1.00 0.00 H new ATOM 0 HA GLU A 84 0.592 -13.102 12.002 1.00 0.00 H new ATOM 0 HB2 GLU A 84 1.486 -14.116 13.977 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.256 -14.045 14.154 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.457 -16.476 13.605 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.479 -16.143 15.021 1.00 0.00 H new ATOM 1262 N THR A 85 1.220 -16.108 10.958 1.00 0.00 N ATOM 1263 CA THR A 85 2.094 -16.889 10.105 1.00 0.00 C ATOM 1264 C THR A 85 2.356 -16.187 8.753 1.00 0.00 C ATOM 1265 O THR A 85 3.423 -16.357 8.162 1.00 0.00 O ATOM 1266 CB THR A 85 1.507 -18.300 9.895 1.00 0.00 C ATOM 1267 OG1 THR A 85 2.547 -19.231 9.561 1.00 0.00 O ATOM 1268 CG2 THR A 85 0.461 -18.319 8.800 1.00 0.00 C ATOM 0 H THR A 85 0.402 -16.619 11.290 1.00 0.00 H new ATOM 0 HA THR A 85 3.058 -16.982 10.605 1.00 0.00 H new ATOM 0 HB THR A 85 1.033 -18.590 10.833 1.00 0.00 H new ATOM 0 HG1 THR A 85 2.160 -20.122 9.432 1.00 0.00 H new ATOM 0 HG21 THR A 85 0.073 -19.331 8.685 1.00 0.00 H new ATOM 0 HG22 THR A 85 -0.355 -17.646 9.064 1.00 0.00 H new ATOM 0 HG23 THR A 85 0.910 -17.993 7.862 1.00 0.00 H new ATOM 1276 N MET A 86 1.410 -15.356 8.279 1.00 0.00 N ATOM 1277 CA MET A 86 1.588 -14.659 7.010 1.00 0.00 C ATOM 1278 C MET A 86 2.365 -13.382 7.229 1.00 0.00 C ATOM 1279 O MET A 86 3.228 -13.014 6.438 1.00 0.00 O ATOM 1280 CB MET A 86 0.246 -14.348 6.346 1.00 0.00 C ATOM 1281 CG MET A 86 -0.605 -15.577 6.125 1.00 0.00 C ATOM 1282 SD MET A 86 -2.164 -15.210 5.293 1.00 0.00 S ATOM 1283 CE MET A 86 -1.579 -14.558 3.729 1.00 0.00 C ATOM 0 H MET A 86 0.529 -15.158 8.754 1.00 0.00 H new ATOM 0 HA MET A 86 2.146 -15.315 6.342 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.304 -13.639 6.966 1.00 0.00 H new ATOM 0 HB3 MET A 86 0.426 -13.861 5.388 1.00 0.00 H new ATOM 0 HG2 MET A 86 -0.044 -16.300 5.533 1.00 0.00 H new ATOM 0 HG3 MET A 86 -0.814 -16.046 7.086 1.00 0.00 H new ATOM 0 HE1 MET A 86 -2.376 -14.619 2.988 1.00 0.00 H new ATOM 0 HE2 MET A 86 -1.281 -13.517 3.857 1.00 0.00 H new ATOM 0 HE3 MET A 86 -0.723 -15.141 3.389 1.00 0.00 H new ATOM 1293 N ALA A 87 2.061 -12.713 8.321 1.00 0.00 N ATOM 1294 CA ALA A 87 2.790 -11.531 8.703 1.00 0.00 C ATOM 1295 C ALA A 87 4.231 -11.897 9.049 1.00 0.00 C ATOM 1296 O ALA A 87 5.151 -11.116 8.823 1.00 0.00 O ATOM 1297 CB ALA A 87 2.098 -10.868 9.873 1.00 0.00 C ATOM 0 H ALA A 87 1.310 -12.972 8.960 1.00 0.00 H new ATOM 0 HA ALA A 87 2.812 -10.827 7.871 1.00 0.00 H new ATOM 0 HB1 ALA A 87 2.649 -9.973 10.162 1.00 0.00 H new ATOM 0 HB2 ALA A 87 1.083 -10.592 9.587 1.00 0.00 H new ATOM 0 HB3 ALA A 87 2.062 -11.560 10.714 1.00 0.00 H new ATOM 1303 N GLN A 88 4.406 -13.103 9.578 1.00 0.00 N ATOM 1304 CA GLN A 88 5.709 -13.593 10.028 1.00 0.00 C ATOM 1305 C GLN A 88 6.541 -14.143 8.878 1.00 0.00 C ATOM 1306 O GLN A 88 7.769 -14.136 8.942 1.00 0.00 O ATOM 1307 CB GLN A 88 5.532 -14.658 11.110 1.00 0.00 C ATOM 1308 CG GLN A 88 5.687 -14.128 12.528 1.00 0.00 C ATOM 1309 CD GLN A 88 4.892 -12.863 12.781 1.00 0.00 C ATOM 1310 OE1 GLN A 88 5.392 -11.753 12.590 1.00 0.00 O ATOM 1311 NE2 GLN A 88 3.646 -13.009 13.201 1.00 0.00 N ATOM 0 H GLN A 88 3.647 -13.772 9.708 1.00 0.00 H new ATOM 0 HA GLN A 88 6.249 -12.743 10.445 1.00 0.00 H new ATOM 0 HB2 GLN A 88 4.544 -15.107 11.006 1.00 0.00 H new ATOM 0 HB3 GLN A 88 6.261 -15.452 10.948 1.00 0.00 H new ATOM 0 HG2 GLN A 88 5.370 -14.896 13.233 1.00 0.00 H new ATOM 0 HG3 GLN A 88 6.741 -13.932 12.723 1.00 0.00 H new ATOM 0 HE21 GLN A 88 3.264 -13.943 13.349 1.00 0.00 H new ATOM 0 HE22 GLN A 88 3.068 -12.188 13.377 1.00 0.00 H new ATOM 1320 N GLN A 89 5.889 -14.610 7.826 1.00 0.00 N ATOM 1321 CA GLN A 89 6.622 -14.981 6.624 1.00 0.00 C ATOM 1322 C GLN A 89 6.979 -13.714 5.852 1.00 0.00 C ATOM 1323 O GLN A 89 7.933 -13.686 5.078 1.00 0.00 O ATOM 1324 CB GLN A 89 5.846 -15.982 5.748 1.00 0.00 C ATOM 1325 CG GLN A 89 4.472 -15.520 5.288 1.00 0.00 C ATOM 1326 CD GLN A 89 3.827 -16.490 4.314 1.00 0.00 C ATOM 1327 OE1 GLN A 89 2.505 -16.546 4.323 1.00 0.00 O flip ATOM 1328 NE2 GLN A 89 4.506 -17.184 3.563 1.00 0.00 N flip ATOM 0 H GLN A 89 4.878 -14.740 7.777 1.00 0.00 H new ATOM 0 HA GLN A 89 7.537 -15.496 6.919 1.00 0.00 H new ATOM 0 HB2 GLN A 89 6.447 -16.210 4.868 1.00 0.00 H new ATOM 0 HB3 GLN A 89 5.730 -16.912 6.305 1.00 0.00 H new ATOM 0 HG2 GLN A 89 3.824 -15.398 6.156 1.00 0.00 H new ATOM 0 HG3 GLN A 89 4.561 -14.542 4.816 1.00 0.00 H new ATOM 0 HE21 GLN A 89 5.523 -17.114 3.584 1.00 0.00 H new ATOM 0 HE22 GLN A 89 4.053 -17.831 2.918 1.00 0.00 H new ATOM 1337 N LEU A 90 6.212 -12.656 6.099 1.00 0.00 N ATOM 1338 CA LEU A 90 6.493 -11.349 5.521 1.00 0.00 C ATOM 1339 C LEU A 90 7.681 -10.682 6.224 1.00 0.00 C ATOM 1340 O LEU A 90 8.589 -10.174 5.567 1.00 0.00 O ATOM 1341 CB LEU A 90 5.260 -10.447 5.619 1.00 0.00 C ATOM 1342 CG LEU A 90 5.405 -9.065 4.977 1.00 0.00 C ATOM 1343 CD1 LEU A 90 5.662 -9.185 3.483 1.00 0.00 C ATOM 1344 CD2 LEU A 90 4.165 -8.224 5.238 1.00 0.00 C ATOM 0 H LEU A 90 5.387 -12.681 6.699 1.00 0.00 H new ATOM 0 HA LEU A 90 6.748 -11.494 4.471 1.00 0.00 H new ATOM 0 HB2 LEU A 90 4.418 -10.959 5.153 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.010 -10.315 6.672 1.00 0.00 H new ATOM 0 HG LEU A 90 6.263 -8.569 5.430 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.761 -8.190 3.050 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.581 -9.747 3.316 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.828 -9.705 3.011 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.285 -7.245 4.775 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.292 -8.721 4.814 1.00 0.00 H new ATOM 0 HD23 LEU A 90 4.027 -8.102 6.312 1.00 0.00 H new ATOM 1356 N VAL A 91 7.674 -10.691 7.566 1.00 0.00 N ATOM 1357 CA VAL A 91 8.718 -10.012 8.346 1.00 0.00 C ATOM 1358 C VAL A 91 10.103 -10.540 8.000 1.00 0.00 C ATOM 1359 O VAL A 91 11.072 -9.785 7.953 1.00 0.00 O ATOM 1360 CB VAL A 91 8.516 -10.132 9.883 1.00 0.00 C ATOM 1361 CG1 VAL A 91 7.188 -9.540 10.318 1.00 0.00 C ATOM 1362 CG2 VAL A 91 8.661 -11.563 10.374 1.00 0.00 C ATOM 0 H VAL A 91 6.963 -11.157 8.129 1.00 0.00 H new ATOM 0 HA VAL A 91 8.635 -8.960 8.073 1.00 0.00 H new ATOM 0 HB VAL A 91 9.312 -9.551 10.347 1.00 0.00 H new ATOM 0 HG11 VAL A 91 7.081 -9.641 11.398 1.00 0.00 H new ATOM 0 HG12 VAL A 91 7.154 -8.485 10.047 1.00 0.00 H new ATOM 0 HG13 VAL A 91 6.374 -10.068 9.821 1.00 0.00 H new ATOM 0 HG21 VAL A 91 8.511 -11.594 11.453 1.00 0.00 H new ATOM 0 HG22 VAL A 91 7.917 -12.192 9.886 1.00 0.00 H new ATOM 0 HG23 VAL A 91 9.659 -11.930 10.135 1.00 0.00 H new ATOM 1372 N ASP A 92 10.170 -11.830 7.733 1.00 0.00 N ATOM 1373 CA ASP A 92 11.420 -12.500 7.428 1.00 0.00 C ATOM 1374 C ASP A 92 12.032 -11.934 6.153 1.00 0.00 C ATOM 1375 O ASP A 92 13.232 -11.653 6.093 1.00 0.00 O ATOM 1376 CB ASP A 92 11.182 -14.007 7.310 1.00 0.00 C ATOM 1377 CG ASP A 92 12.350 -14.733 6.670 1.00 0.00 C ATOM 1378 OD1 ASP A 92 13.388 -14.912 7.346 1.00 0.00 O ATOM 1379 OD2 ASP A 92 12.238 -15.128 5.492 1.00 0.00 O ATOM 0 H ASP A 92 9.356 -12.445 7.721 1.00 0.00 H new ATOM 0 HA ASP A 92 12.128 -12.326 8.238 1.00 0.00 H new ATOM 0 HB2 ASP A 92 11.001 -14.421 8.302 1.00 0.00 H new ATOM 0 HB3 ASP A 92 10.282 -14.184 6.721 1.00 0.00 H new ATOM 1384 N ILE A 93 11.198 -11.736 5.141 1.00 0.00 N ATOM 1385 CA ILE A 93 11.645 -11.122 3.903 1.00 0.00 C ATOM 1386 C ILE A 93 11.992 -9.656 4.138 1.00 0.00 C ATOM 1387 O ILE A 93 13.011 -9.172 3.654 1.00 0.00 O ATOM 1388 CB ILE A 93 10.582 -11.238 2.779 1.00 0.00 C ATOM 1389 CG1 ILE A 93 10.682 -12.586 2.057 1.00 0.00 C ATOM 1390 CG2 ILE A 93 10.720 -10.106 1.774 1.00 0.00 C ATOM 1391 CD1 ILE A 93 10.446 -13.790 2.943 1.00 0.00 C ATOM 0 H ILE A 93 10.211 -11.992 5.155 1.00 0.00 H new ATOM 0 HA ILE A 93 12.534 -11.661 3.575 1.00 0.00 H new ATOM 0 HB ILE A 93 9.603 -11.168 3.253 1.00 0.00 H new ATOM 0 HG12 ILE A 93 9.958 -12.602 1.242 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.671 -12.670 1.606 1.00 0.00 H new ATOM 0 HG21 ILE A 93 9.962 -10.214 0.998 1.00 0.00 H new ATOM 0 HG22 ILE A 93 10.587 -9.151 2.281 1.00 0.00 H new ATOM 0 HG23 ILE A 93 11.711 -10.141 1.321 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.536 -14.701 2.351 1.00 0.00 H new ATOM 0 HD12 ILE A 93 11.186 -13.803 3.743 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.446 -13.734 3.374 1.00 0.00 H new ATOM 1403 N ILE A 94 11.154 -8.961 4.901 1.00 0.00 N ATOM 1404 CA ILE A 94 11.381 -7.547 5.178 1.00 0.00 C ATOM 1405 C ILE A 94 12.756 -7.340 5.792 1.00 0.00 C ATOM 1406 O ILE A 94 13.531 -6.500 5.344 1.00 0.00 O ATOM 1407 CB ILE A 94 10.324 -6.966 6.139 1.00 0.00 C ATOM 1408 CG1 ILE A 94 8.929 -7.094 5.532 1.00 0.00 C ATOM 1409 CG2 ILE A 94 10.635 -5.508 6.461 1.00 0.00 C ATOM 1410 CD1 ILE A 94 7.839 -6.508 6.396 1.00 0.00 C ATOM 0 H ILE A 94 10.317 -9.350 5.336 1.00 0.00 H new ATOM 0 HA ILE A 94 11.308 -7.026 4.223 1.00 0.00 H new ATOM 0 HB ILE A 94 10.352 -7.535 7.068 1.00 0.00 H new ATOM 0 HG12 ILE A 94 8.917 -6.599 4.561 1.00 0.00 H new ATOM 0 HG13 ILE A 94 8.714 -8.148 5.355 1.00 0.00 H new ATOM 0 HG21 ILE A 94 9.878 -5.116 7.140 1.00 0.00 H new ATOM 0 HG22 ILE A 94 11.615 -5.441 6.932 1.00 0.00 H new ATOM 0 HG23 ILE A 94 10.634 -4.924 5.541 1.00 0.00 H new ATOM 0 HD11 ILE A 94 6.876 -6.635 5.902 1.00 0.00 H new ATOM 0 HD12 ILE A 94 7.823 -7.019 7.359 1.00 0.00 H new ATOM 0 HD13 ILE A 94 8.030 -5.446 6.552 1.00 0.00 H new ATOM 1422 N HIS A 95 13.067 -8.145 6.792 1.00 0.00 N ATOM 1423 CA HIS A 95 14.316 -7.982 7.528 1.00 0.00 C ATOM 1424 C HIS A 95 15.508 -8.405 6.679 1.00 0.00 C ATOM 1425 O HIS A 95 16.551 -7.763 6.701 1.00 0.00 O ATOM 1426 CB HIS A 95 14.303 -8.794 8.832 1.00 0.00 C ATOM 1427 CG HIS A 95 13.142 -8.494 9.731 1.00 0.00 C ATOM 1428 ND1 HIS A 95 12.674 -9.379 10.676 1.00 0.00 N ATOM 1429 CD2 HIS A 95 12.353 -7.397 9.826 1.00 0.00 C ATOM 1430 CE1 HIS A 95 11.653 -8.841 11.313 1.00 0.00 C ATOM 1431 NE2 HIS A 95 11.436 -7.637 10.818 1.00 0.00 N ATOM 0 H HIS A 95 12.479 -8.914 7.114 1.00 0.00 H new ATOM 0 HA HIS A 95 14.411 -6.924 7.773 1.00 0.00 H new ATOM 0 HB2 HIS A 95 14.292 -9.856 8.586 1.00 0.00 H new ATOM 0 HB3 HIS A 95 15.228 -8.602 9.376 1.00 0.00 H new ATOM 0 HD2 HIS A 95 12.431 -6.499 9.231 1.00 0.00 H new ATOM 0 HE1 HIS A 95 11.089 -9.307 12.107 1.00 0.00 H new ATOM 0 HE2 HIS A 95 10.707 -6.992 11.123 1.00 0.00 H new ATOM 1440 N GLY A 96 15.323 -9.442 5.876 1.00 0.00 N ATOM 1441 CA GLY A 96 16.436 -10.010 5.152 1.00 0.00 C ATOM 1442 C GLY A 96 16.705 -9.278 3.863 1.00 0.00 C ATOM 1443 O GLY A 96 17.852 -8.967 3.537 1.00 0.00 O ATOM 0 H GLY A 96 14.425 -9.898 5.714 1.00 0.00 H new ATOM 0 HA2 GLY A 96 17.328 -9.981 5.778 1.00 0.00 H new ATOM 0 HA3 GLY A 96 16.231 -11.059 4.937 1.00 0.00 H new ATOM 1447 N CYS A 97 15.648 -8.990 3.131 1.00 0.00 N ATOM 1448 CA CYS A 97 15.777 -8.329 1.861 1.00 0.00 C ATOM 1449 C CYS A 97 16.138 -6.858 2.035 1.00 0.00 C ATOM 1450 O CYS A 97 16.970 -6.356 1.298 1.00 0.00 O ATOM 1451 CB CYS A 97 14.515 -8.502 1.029 1.00 0.00 C ATOM 1452 SG CYS A 97 14.012 -10.251 0.827 1.00 0.00 S ATOM 0 H CYS A 97 14.689 -9.207 3.401 1.00 0.00 H new ATOM 0 HA CYS A 97 16.597 -8.799 1.319 1.00 0.00 H new ATOM 0 HB2 CYS A 97 13.701 -7.949 1.498 1.00 0.00 H new ATOM 0 HB3 CYS A 97 14.674 -8.061 0.045 1.00 0.00 H new ATOM 1457 N GLU A 98 15.524 -6.159 3.001 1.00 0.00 N ATOM 1458 CA GLU A 98 15.940 -4.785 3.293 1.00 0.00 C ATOM 1459 C GLU A 98 17.359 -4.752 3.866 1.00 0.00 C ATOM 1460 O GLU A 98 18.080 -3.772 3.687 1.00 0.00 O ATOM 1461 CB GLU A 98 14.975 -4.076 4.245 1.00 0.00 C ATOM 1462 CG GLU A 98 14.663 -2.650 3.807 1.00 0.00 C ATOM 1463 CD GLU A 98 13.890 -1.854 4.840 1.00 0.00 C ATOM 1464 OE1 GLU A 98 12.797 -2.292 5.242 1.00 0.00 O ATOM 1465 OE2 GLU A 98 14.376 -0.770 5.240 1.00 0.00 O ATOM 0 H GLU A 98 14.760 -6.512 3.577 1.00 0.00 H new ATOM 0 HA GLU A 98 15.925 -4.247 2.345 1.00 0.00 H new ATOM 0 HB2 GLU A 98 14.047 -4.645 4.306 1.00 0.00 H new ATOM 0 HB3 GLU A 98 15.405 -4.059 5.246 1.00 0.00 H new ATOM 0 HG2 GLU A 98 15.597 -2.134 3.587 1.00 0.00 H new ATOM 0 HG3 GLU A 98 14.090 -2.680 2.880 1.00 0.00 H new ATOM 1472 N LYS A 99 17.763 -5.817 4.563 1.00 0.00 N ATOM 1473 CA LYS A 99 19.143 -5.935 5.021 1.00 0.00 C ATOM 1474 C LYS A 99 20.084 -6.015 3.823 1.00 0.00 C ATOM 1475 O LYS A 99 21.156 -5.407 3.811 1.00 0.00 O ATOM 1476 CB LYS A 99 19.306 -7.185 5.896 1.00 0.00 C ATOM 1477 CG LYS A 99 20.728 -7.431 6.363 1.00 0.00 C ATOM 1478 CD LYS A 99 21.218 -6.313 7.266 1.00 0.00 C ATOM 1479 CE LYS A 99 22.656 -6.530 7.702 1.00 0.00 C ATOM 1480 NZ LYS A 99 23.137 -5.421 8.564 1.00 0.00 N ATOM 0 H LYS A 99 17.160 -6.599 4.818 1.00 0.00 H new ATOM 0 HA LYS A 99 19.393 -5.055 5.613 1.00 0.00 H new ATOM 0 HB2 LYS A 99 18.659 -7.092 6.768 1.00 0.00 H new ATOM 0 HB3 LYS A 99 18.963 -8.055 5.336 1.00 0.00 H new ATOM 0 HG2 LYS A 99 20.778 -8.380 6.897 1.00 0.00 H new ATOM 0 HG3 LYS A 99 21.386 -7.517 5.499 1.00 0.00 H new ATOM 0 HD2 LYS A 99 21.137 -5.361 6.742 1.00 0.00 H new ATOM 0 HD3 LYS A 99 20.577 -6.249 8.145 1.00 0.00 H new ATOM 0 HE2 LYS A 99 22.735 -7.473 8.243 1.00 0.00 H new ATOM 0 HE3 LYS A 99 23.295 -6.612 6.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 24.122 -5.601 8.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 23.084 -4.525 8.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 22.542 -5.359 9.414 1.00 0.00 H new ATOM 1494 N SER A 100 19.653 -6.745 2.808 1.00 0.00 N ATOM 1495 CA SER A 100 20.454 -6.958 1.614 1.00 0.00 C ATOM 1496 C SER A 100 20.016 -6.024 0.487 1.00 0.00 C ATOM 1497 O SER A 100 20.362 -6.235 -0.676 1.00 0.00 O ATOM 1498 CB SER A 100 20.321 -8.413 1.173 1.00 0.00 C ATOM 1499 OG SER A 100 20.540 -9.288 2.271 1.00 0.00 O ATOM 0 H SER A 100 18.743 -7.205 2.788 1.00 0.00 H new ATOM 0 HA SER A 100 21.496 -6.738 1.845 1.00 0.00 H new ATOM 0 HB2 SER A 100 19.328 -8.584 0.757 1.00 0.00 H new ATOM 0 HB3 SER A 100 21.039 -8.626 0.381 1.00 0.00 H new ATOM 0 HG SER A 100 19.742 -9.306 2.840 1.00 0.00 H new ATOM 1505 N ALA A 101 19.260 -4.992 0.838 1.00 0.00 N ATOM 1506 CA ALA A 101 18.768 -4.037 -0.143 1.00 0.00 C ATOM 1507 C ALA A 101 19.875 -3.074 -0.542 1.00 0.00 C ATOM 1508 O ALA A 101 20.747 -2.756 0.274 1.00 0.00 O ATOM 1509 CB ALA A 101 17.566 -3.278 0.409 1.00 0.00 C ATOM 0 H ALA A 101 18.974 -4.796 1.797 1.00 0.00 H new ATOM 0 HA ALA A 101 18.449 -4.582 -1.031 1.00 0.00 H new ATOM 0 HB1 ALA A 101 17.210 -2.568 -0.337 1.00 0.00 H new ATOM 0 HB2 ALA A 101 16.769 -3.982 0.648 1.00 0.00 H new ATOM 0 HB3 ALA A 101 17.858 -2.741 1.311 1.00 0.00 H new ATOM 1515 N PRO A 102 19.858 -2.609 -1.804 1.00 0.00 N ATOM 1516 CA PRO A 102 20.871 -1.689 -2.337 1.00 0.00 C ATOM 1517 C PRO A 102 21.054 -0.446 -1.464 1.00 0.00 C ATOM 1518 O PRO A 102 20.123 -0.016 -0.777 1.00 0.00 O ATOM 1519 CB PRO A 102 20.309 -1.301 -3.707 1.00 0.00 C ATOM 1520 CG PRO A 102 19.450 -2.449 -4.097 1.00 0.00 C ATOM 1521 CD PRO A 102 18.843 -2.952 -2.819 1.00 0.00 C ATOM 0 HA PRO A 102 21.857 -2.151 -2.378 1.00 0.00 H new ATOM 0 HB2 PRO A 102 19.735 -0.376 -3.653 1.00 0.00 H new ATOM 0 HB3 PRO A 102 21.107 -1.138 -4.432 1.00 0.00 H new ATOM 0 HG2 PRO A 102 18.679 -2.139 -4.802 1.00 0.00 H new ATOM 0 HG3 PRO A 102 20.035 -3.228 -4.586 1.00 0.00 H new ATOM 0 HD2 PRO A 102 17.887 -2.471 -2.611 1.00 0.00 H new ATOM 0 HD3 PRO A 102 18.658 -4.026 -2.857 1.00 0.00 H new ATOM 1529 N PRO A 103 22.262 0.145 -1.483 1.00 0.00 N ATOM 1530 CA PRO A 103 22.603 1.335 -0.684 1.00 0.00 C ATOM 1531 C PRO A 103 21.912 2.608 -1.185 1.00 0.00 C ATOM 1532 O PRO A 103 22.540 3.660 -1.336 1.00 0.00 O ATOM 1533 CB PRO A 103 24.127 1.457 -0.850 1.00 0.00 C ATOM 1534 CG PRO A 103 24.568 0.174 -1.470 1.00 0.00 C ATOM 1535 CD PRO A 103 23.408 -0.312 -2.276 1.00 0.00 C ATOM 0 HA PRO A 103 22.276 1.227 0.350 1.00 0.00 H new ATOM 0 HB2 PRO A 103 24.385 2.307 -1.482 1.00 0.00 H new ATOM 0 HB3 PRO A 103 24.614 1.615 0.112 1.00 0.00 H new ATOM 0 HG2 PRO A 103 25.445 0.326 -2.100 1.00 0.00 H new ATOM 0 HG3 PRO A 103 24.845 -0.553 -0.707 1.00 0.00 H new ATOM 0 HD2 PRO A 103 23.404 0.113 -3.280 1.00 0.00 H new ATOM 0 HD3 PRO A 103 23.417 -1.396 -2.389 1.00 0.00 H new ATOM 1543 N ASN A 104 20.619 2.499 -1.435 1.00 0.00 N ATOM 1544 CA ASN A 104 19.808 3.622 -1.870 1.00 0.00 C ATOM 1545 C ASN A 104 18.616 3.777 -0.934 1.00 0.00 C ATOM 1546 O ASN A 104 17.597 3.105 -1.092 1.00 0.00 O ATOM 1547 CB ASN A 104 19.331 3.398 -3.309 1.00 0.00 C ATOM 1548 CG ASN A 104 18.456 4.524 -3.831 1.00 0.00 C ATOM 1549 OD1 ASN A 104 18.625 5.688 -3.461 1.00 0.00 O ATOM 1550 ND2 ASN A 104 17.509 4.182 -4.690 1.00 0.00 N ATOM 0 H ASN A 104 20.100 1.626 -1.342 1.00 0.00 H new ATOM 0 HA ASN A 104 20.405 4.534 -1.842 1.00 0.00 H new ATOM 0 HB2 ASN A 104 20.199 3.289 -3.960 1.00 0.00 H new ATOM 0 HB3 ASN A 104 18.775 2.462 -3.359 1.00 0.00 H new ATOM 0 HD21 ASN A 104 16.885 4.893 -5.072 1.00 0.00 H new ATOM 0 HD22 ASN A 104 17.403 3.207 -4.970 1.00 0.00 H new ATOM 1557 N ASP A 105 18.763 4.631 0.067 1.00 0.00 N ATOM 1558 CA ASP A 105 17.719 4.812 1.065 1.00 0.00 C ATOM 1559 C ASP A 105 16.628 5.752 0.575 1.00 0.00 C ATOM 1560 O ASP A 105 16.774 6.976 0.620 1.00 0.00 O ATOM 1561 CB ASP A 105 18.289 5.327 2.385 1.00 0.00 C ATOM 1562 CG ASP A 105 17.204 5.511 3.436 1.00 0.00 C ATOM 1563 OD1 ASP A 105 16.807 4.513 4.071 1.00 0.00 O ATOM 1564 OD2 ASP A 105 16.737 6.655 3.627 1.00 0.00 O ATOM 0 H ASP A 105 19.592 5.208 0.210 1.00 0.00 H new ATOM 0 HA ASP A 105 17.278 3.830 1.235 1.00 0.00 H new ATOM 0 HB2 ASP A 105 19.038 4.627 2.755 1.00 0.00 H new ATOM 0 HB3 ASP A 105 18.796 6.277 2.216 1.00 0.00 H new ATOM 1569 N ASP A 106 15.562 5.173 0.057 1.00 0.00 N ATOM 1570 CA ASP A 106 14.350 5.924 -0.226 1.00 0.00 C ATOM 1571 C ASP A 106 13.251 5.444 0.710 1.00 0.00 C ATOM 1572 O ASP A 106 12.842 4.282 0.643 1.00 0.00 O ATOM 1573 CB ASP A 106 13.917 5.769 -1.684 1.00 0.00 C ATOM 1574 CG ASP A 106 12.703 6.618 -2.018 1.00 0.00 C ATOM 1575 OD1 ASP A 106 11.575 6.238 -1.632 1.00 0.00 O ATOM 1576 OD2 ASP A 106 12.871 7.673 -2.664 1.00 0.00 O ATOM 0 H ASP A 106 15.509 4.182 -0.178 1.00 0.00 H new ATOM 0 HA ASP A 106 14.545 6.984 -0.063 1.00 0.00 H new ATOM 0 HB2 ASP A 106 14.743 6.048 -2.338 1.00 0.00 H new ATOM 0 HB3 ASP A 106 13.691 4.722 -1.884 1.00 0.00 H new ATOM 1581 N LYS A 107 12.825 6.339 1.602 1.00 0.00 N ATOM 1582 CA LYS A 107 11.841 6.029 2.656 1.00 0.00 C ATOM 1583 C LYS A 107 10.768 4.996 2.251 1.00 0.00 C ATOM 1584 O LYS A 107 10.670 3.944 2.878 1.00 0.00 O ATOM 1585 CB LYS A 107 11.177 7.317 3.181 1.00 0.00 C ATOM 1586 CG LYS A 107 10.399 8.114 2.142 1.00 0.00 C ATOM 1587 CD LYS A 107 11.031 9.471 1.879 1.00 0.00 C ATOM 1588 CE LYS A 107 10.181 10.313 0.936 1.00 0.00 C ATOM 1589 NZ LYS A 107 8.859 10.658 1.531 1.00 0.00 N ATOM 0 H LYS A 107 13.150 7.306 1.619 1.00 0.00 H new ATOM 0 HA LYS A 107 12.416 5.557 3.453 1.00 0.00 H new ATOM 0 HB2 LYS A 107 10.501 7.053 3.994 1.00 0.00 H new ATOM 0 HB3 LYS A 107 11.950 7.959 3.604 1.00 0.00 H new ATOM 0 HG2 LYS A 107 10.352 7.549 1.211 1.00 0.00 H new ATOM 0 HG3 LYS A 107 9.373 8.251 2.483 1.00 0.00 H new ATOM 0 HD2 LYS A 107 11.162 10.001 2.823 1.00 0.00 H new ATOM 0 HD3 LYS A 107 12.024 9.334 1.450 1.00 0.00 H new ATOM 0 HE2 LYS A 107 10.716 11.229 0.687 1.00 0.00 H new ATOM 0 HE3 LYS A 107 10.028 9.770 0.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 8.429 11.437 0.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 8.235 9.827 1.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 8.989 10.951 2.520 1.00 0.00 H new ATOM 1603 N CYS A 108 9.963 5.274 1.226 1.00 0.00 N ATOM 1604 CA CYS A 108 8.880 4.372 0.864 1.00 0.00 C ATOM 1605 C CYS A 108 9.315 3.335 -0.176 1.00 0.00 C ATOM 1606 O CYS A 108 8.605 2.358 -0.406 1.00 0.00 O ATOM 1607 CB CYS A 108 7.696 5.181 0.328 1.00 0.00 C ATOM 1608 SG CYS A 108 6.093 4.318 0.383 1.00 0.00 S ATOM 0 H CYS A 108 10.041 6.106 0.641 1.00 0.00 H new ATOM 0 HA CYS A 108 8.587 3.829 1.763 1.00 0.00 H new ATOM 0 HB2 CYS A 108 7.615 6.104 0.902 1.00 0.00 H new ATOM 0 HB3 CYS A 108 7.905 5.464 -0.704 1.00 0.00 H new ATOM 1613 N MET A 109 10.483 3.518 -0.790 1.00 0.00 N ATOM 1614 CA MET A 109 10.866 2.678 -1.917 1.00 0.00 C ATOM 1615 C MET A 109 11.436 1.335 -1.449 1.00 0.00 C ATOM 1616 O MET A 109 11.326 0.297 -2.130 1.00 0.00 O ATOM 1617 CB MET A 109 11.885 3.386 -2.798 1.00 0.00 C ATOM 1618 CG MET A 109 11.532 3.337 -4.271 1.00 0.00 C ATOM 1619 SD MET A 109 12.689 4.257 -5.302 1.00 0.00 S ATOM 1620 CE MET A 109 14.187 3.308 -5.057 1.00 0.00 C ATOM 0 H MET A 109 11.168 4.228 -0.530 1.00 0.00 H new ATOM 0 HA MET A 109 9.963 2.486 -2.497 1.00 0.00 H new ATOM 0 HB2 MET A 109 11.967 4.427 -2.484 1.00 0.00 H new ATOM 0 HB3 MET A 109 12.864 2.930 -2.650 1.00 0.00 H new ATOM 0 HG2 MET A 109 11.508 2.298 -4.599 1.00 0.00 H new ATOM 0 HG3 MET A 109 10.529 3.739 -4.412 1.00 0.00 H new ATOM 0 HE1 MET A 109 14.905 3.552 -5.840 1.00 0.00 H new ATOM 0 HE2 MET A 109 14.615 3.549 -4.084 1.00 0.00 H new ATOM 0 HE3 MET A 109 13.954 2.244 -5.097 1.00 0.00 H new ATOM 1630 N LYS A 110 12.055 1.363 -0.276 1.00 0.00 N ATOM 1631 CA LYS A 110 12.656 0.159 0.302 1.00 0.00 C ATOM 1632 C LYS A 110 11.612 -0.927 0.475 1.00 0.00 C ATOM 1633 O LYS A 110 11.868 -2.109 0.254 1.00 0.00 O ATOM 1634 CB LYS A 110 13.335 0.460 1.642 1.00 0.00 C ATOM 1635 CG LYS A 110 12.587 1.410 2.565 1.00 0.00 C ATOM 1636 CD LYS A 110 11.649 0.660 3.499 1.00 0.00 C ATOM 1637 CE LYS A 110 11.537 1.348 4.850 1.00 0.00 C ATOM 1638 NZ LYS A 110 12.855 1.421 5.540 1.00 0.00 N ATOM 0 H LYS A 110 12.156 2.202 0.296 1.00 0.00 H new ATOM 0 HA LYS A 110 13.420 -0.193 -0.391 1.00 0.00 H new ATOM 0 HB2 LYS A 110 13.490 -0.482 2.169 1.00 0.00 H new ATOM 0 HB3 LYS A 110 14.321 0.879 1.442 1.00 0.00 H new ATOM 0 HG2 LYS A 110 13.302 1.986 3.152 1.00 0.00 H new ATOM 0 HG3 LYS A 110 12.016 2.122 1.970 1.00 0.00 H new ATOM 0 HD2 LYS A 110 10.661 0.589 3.043 1.00 0.00 H new ATOM 0 HD3 LYS A 110 12.011 -0.359 3.638 1.00 0.00 H new ATOM 0 HE2 LYS A 110 11.141 2.354 4.715 1.00 0.00 H new ATOM 0 HE3 LYS A 110 10.827 0.807 5.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 12.722 1.266 6.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 13.488 0.689 5.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 13.277 2.359 5.384 1.00 0.00 H new ATOM 1652 N THR A 111 10.437 -0.495 0.879 1.00 0.00 N ATOM 1653 CA THR A 111 9.276 -1.342 0.997 1.00 0.00 C ATOM 1654 C THR A 111 8.939 -2.064 -0.321 1.00 0.00 C ATOM 1655 O THR A 111 8.237 -3.072 -0.305 1.00 0.00 O ATOM 1656 CB THR A 111 8.098 -0.473 1.489 1.00 0.00 C ATOM 1657 OG1 THR A 111 7.628 -0.954 2.755 1.00 0.00 O ATOM 1658 CG2 THR A 111 6.937 -0.400 0.491 1.00 0.00 C ATOM 0 H THR A 111 10.261 0.475 1.139 1.00 0.00 H new ATOM 0 HA THR A 111 9.481 -2.134 1.717 1.00 0.00 H new ATOM 0 HB THR A 111 8.483 0.542 1.592 1.00 0.00 H new ATOM 0 HG1 THR A 111 6.882 -0.396 3.060 1.00 0.00 H new ATOM 0 HG21 THR A 111 6.144 0.226 0.900 1.00 0.00 H new ATOM 0 HG22 THR A 111 7.290 0.028 -0.447 1.00 0.00 H new ATOM 0 HG23 THR A 111 6.550 -1.403 0.309 1.00 0.00 H new ATOM 1666 N ILE A 112 9.498 -1.613 -1.447 1.00 0.00 N ATOM 1667 CA ILE A 112 9.238 -2.267 -2.710 1.00 0.00 C ATOM 1668 C ILE A 112 10.292 -3.338 -2.924 1.00 0.00 C ATOM 1669 O ILE A 112 9.988 -4.439 -3.388 1.00 0.00 O ATOM 1670 CB ILE A 112 9.207 -1.288 -3.901 1.00 0.00 C ATOM 1671 CG1 ILE A 112 7.833 -0.615 -4.015 1.00 0.00 C ATOM 1672 CG2 ILE A 112 9.582 -1.979 -5.204 1.00 0.00 C ATOM 1673 CD1 ILE A 112 7.755 0.725 -3.319 1.00 0.00 C ATOM 0 H ILE A 112 10.123 -0.809 -1.500 1.00 0.00 H new ATOM 0 HA ILE A 112 8.244 -2.711 -2.664 1.00 0.00 H new ATOM 0 HB ILE A 112 9.954 -0.516 -3.713 1.00 0.00 H new ATOM 0 HG12 ILE A 112 7.589 -0.482 -5.069 1.00 0.00 H new ATOM 0 HG13 ILE A 112 7.077 -1.278 -3.594 1.00 0.00 H new ATOM 0 HG21 ILE A 112 9.549 -1.258 -6.021 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.589 -2.389 -5.122 1.00 0.00 H new ATOM 0 HG23 ILE A 112 8.877 -2.786 -5.404 1.00 0.00 H new ATOM 0 HD11 ILE A 112 6.755 1.141 -3.442 1.00 0.00 H new ATOM 0 HD12 ILE A 112 7.967 0.597 -2.258 1.00 0.00 H new ATOM 0 HD13 ILE A 112 8.487 1.405 -3.755 1.00 0.00 H new ATOM 1685 N ASP A 113 11.529 -3.022 -2.533 1.00 0.00 N ATOM 1686 CA ASP A 113 12.621 -3.993 -2.610 1.00 0.00 C ATOM 1687 C ASP A 113 12.300 -5.246 -1.796 1.00 0.00 C ATOM 1688 O ASP A 113 12.590 -6.365 -2.220 1.00 0.00 O ATOM 1689 CB ASP A 113 13.936 -3.381 -2.116 1.00 0.00 C ATOM 1690 CG ASP A 113 14.891 -3.068 -3.250 1.00 0.00 C ATOM 1691 OD1 ASP A 113 14.810 -1.958 -3.817 1.00 0.00 O ATOM 1692 OD2 ASP A 113 15.732 -3.934 -3.583 1.00 0.00 O ATOM 0 H ASP A 113 11.797 -2.110 -2.163 1.00 0.00 H new ATOM 0 HA ASP A 113 12.734 -4.273 -3.657 1.00 0.00 H new ATOM 0 HB2 ASP A 113 13.722 -2.467 -1.562 1.00 0.00 H new ATOM 0 HB3 ASP A 113 14.416 -4.070 -1.421 1.00 0.00 H new ATOM 1697 N VAL A 114 11.666 -5.069 -0.641 1.00 0.00 N ATOM 1698 CA VAL A 114 11.289 -6.211 0.177 1.00 0.00 C ATOM 1699 C VAL A 114 10.003 -6.841 -0.345 1.00 0.00 C ATOM 1700 O VAL A 114 9.846 -8.057 -0.322 1.00 0.00 O ATOM 1701 CB VAL A 114 11.125 -5.861 1.669 1.00 0.00 C ATOM 1702 CG1 VAL A 114 12.472 -5.591 2.303 1.00 0.00 C ATOM 1703 CG2 VAL A 114 10.235 -4.665 1.847 1.00 0.00 C ATOM 0 H VAL A 114 11.407 -4.160 -0.257 1.00 0.00 H new ATOM 0 HA VAL A 114 12.111 -6.923 0.102 1.00 0.00 H new ATOM 0 HB VAL A 114 10.663 -6.717 2.161 1.00 0.00 H new ATOM 0 HG11 VAL A 114 12.336 -5.346 3.356 1.00 0.00 H new ATOM 0 HG12 VAL A 114 13.100 -6.478 2.215 1.00 0.00 H new ATOM 0 HG13 VAL A 114 12.952 -4.755 1.795 1.00 0.00 H new ATOM 0 HG21 VAL A 114 10.136 -4.440 2.909 1.00 0.00 H new ATOM 0 HG22 VAL A 114 10.670 -3.808 1.333 1.00 0.00 H new ATOM 0 HG23 VAL A 114 9.251 -4.878 1.428 1.00 0.00 H new ATOM 1713 N ALA A 115 9.092 -6.008 -0.836 1.00 0.00 N ATOM 1714 CA ALA A 115 7.821 -6.486 -1.364 1.00 0.00 C ATOM 1715 C ALA A 115 8.005 -7.416 -2.559 1.00 0.00 C ATOM 1716 O ALA A 115 7.410 -8.498 -2.611 1.00 0.00 O ATOM 1717 CB ALA A 115 6.952 -5.312 -1.738 1.00 0.00 C ATOM 0 H ALA A 115 9.211 -4.996 -0.879 1.00 0.00 H new ATOM 0 HA ALA A 115 7.334 -7.067 -0.581 1.00 0.00 H new ATOM 0 HB1 ALA A 115 6.002 -5.673 -2.133 1.00 0.00 H new ATOM 0 HB2 ALA A 115 6.769 -4.699 -0.855 1.00 0.00 H new ATOM 0 HB3 ALA A 115 7.456 -4.713 -2.497 1.00 0.00 H new ATOM 1723 N MET A 116 8.825 -7.006 -3.522 1.00 0.00 N ATOM 1724 CA MET A 116 9.075 -7.850 -4.689 1.00 0.00 C ATOM 1725 C MET A 116 9.975 -9.029 -4.314 1.00 0.00 C ATOM 1726 O MET A 116 10.002 -10.060 -4.987 1.00 0.00 O ATOM 1727 CB MET A 116 9.624 -7.050 -5.896 1.00 0.00 C ATOM 1728 CG MET A 116 10.918 -6.270 -5.675 1.00 0.00 C ATOM 1729 SD MET A 116 12.357 -7.326 -5.412 1.00 0.00 S ATOM 1730 CE MET A 116 13.660 -6.099 -5.344 1.00 0.00 C ATOM 0 H MET A 116 9.319 -6.114 -3.521 1.00 0.00 H new ATOM 0 HA MET A 116 8.116 -8.252 -5.017 1.00 0.00 H new ATOM 0 HB2 MET A 116 9.783 -7.745 -6.720 1.00 0.00 H new ATOM 0 HB3 MET A 116 8.854 -6.347 -6.216 1.00 0.00 H new ATOM 0 HG2 MET A 116 11.099 -5.630 -6.539 1.00 0.00 H new ATOM 0 HG3 MET A 116 10.795 -5.615 -4.813 1.00 0.00 H new ATOM 0 HE1 MET A 116 14.491 -6.415 -5.975 1.00 0.00 H new ATOM 0 HE2 MET A 116 13.278 -5.142 -5.700 1.00 0.00 H new ATOM 0 HE3 MET A 116 14.005 -5.992 -4.316 1.00 0.00 H new ATOM 1740 N CYS A 117 10.680 -8.886 -3.212 1.00 0.00 N ATOM 1741 CA CYS A 117 11.452 -9.977 -2.660 1.00 0.00 C ATOM 1742 C CYS A 117 10.510 -11.008 -2.038 1.00 0.00 C ATOM 1743 O CYS A 117 10.815 -12.197 -1.980 1.00 0.00 O ATOM 1744 CB CYS A 117 12.433 -9.413 -1.634 1.00 0.00 C ATOM 1745 SG CYS A 117 13.804 -10.523 -1.175 1.00 0.00 S ATOM 0 H CYS A 117 10.734 -8.018 -2.678 1.00 0.00 H new ATOM 0 HA CYS A 117 12.021 -10.481 -3.441 1.00 0.00 H new ATOM 0 HB2 CYS A 117 12.853 -8.487 -2.028 1.00 0.00 H new ATOM 0 HB3 CYS A 117 11.880 -9.153 -0.731 1.00 0.00 H new ATOM 1750 N PHE A 118 9.339 -10.555 -1.613 1.00 0.00 N ATOM 1751 CA PHE A 118 8.375 -11.446 -1.002 1.00 0.00 C ATOM 1752 C PHE A 118 7.596 -12.234 -2.052 1.00 0.00 C ATOM 1753 O PHE A 118 7.407 -13.429 -1.885 1.00 0.00 O ATOM 1754 CB PHE A 118 7.428 -10.682 -0.070 1.00 0.00 C ATOM 1755 CG PHE A 118 6.389 -11.552 0.583 1.00 0.00 C ATOM 1756 CD1 PHE A 118 6.738 -12.415 1.609 1.00 0.00 C ATOM 1757 CD2 PHE A 118 5.066 -11.507 0.172 1.00 0.00 C ATOM 1758 CE1 PHE A 118 5.789 -13.216 2.216 1.00 0.00 C ATOM 1759 CE2 PHE A 118 4.113 -12.308 0.775 1.00 0.00 C ATOM 1760 CZ PHE A 118 4.475 -13.162 1.798 1.00 0.00 C ATOM 0 H PHE A 118 9.039 -9.582 -1.681 1.00 0.00 H new ATOM 0 HA PHE A 118 8.931 -12.164 -0.399 1.00 0.00 H new ATOM 0 HB2 PHE A 118 8.015 -10.189 0.705 1.00 0.00 H new ATOM 0 HB3 PHE A 118 6.927 -9.898 -0.638 1.00 0.00 H new ATOM 0 HD1 PHE A 118 7.765 -12.463 1.939 1.00 0.00 H new ATOM 0 HD2 PHE A 118 4.776 -10.840 -0.627 1.00 0.00 H new ATOM 0 HE1 PHE A 118 6.075 -13.883 3.016 1.00 0.00 H new ATOM 0 HE2 PHE A 118 3.085 -12.265 0.446 1.00 0.00 H new ATOM 0 HZ PHE A 118 3.731 -13.787 2.270 1.00 0.00 H new ATOM 1770 N LYS A 119 7.138 -11.595 -3.134 1.00 0.00 N ATOM 1771 CA LYS A 119 6.407 -12.348 -4.157 1.00 0.00 C ATOM 1772 C LYS A 119 7.342 -13.299 -4.904 1.00 0.00 C ATOM 1773 O LYS A 119 6.901 -14.330 -5.404 1.00 0.00 O ATOM 1774 CB LYS A 119 5.620 -11.458 -5.138 1.00 0.00 C ATOM 1775 CG LYS A 119 6.313 -11.175 -6.467 1.00 0.00 C ATOM 1776 CD LYS A 119 7.471 -10.224 -6.290 1.00 0.00 C ATOM 1777 CE LYS A 119 8.229 -9.969 -7.583 1.00 0.00 C ATOM 1778 NZ LYS A 119 8.936 -11.174 -8.098 1.00 0.00 N ATOM 0 H LYS A 119 7.254 -10.599 -3.320 1.00 0.00 H new ATOM 0 HA LYS A 119 5.658 -12.934 -3.624 1.00 0.00 H new ATOM 0 HB2 LYS A 119 4.660 -11.933 -5.342 1.00 0.00 H new ATOM 0 HB3 LYS A 119 5.408 -10.507 -4.649 1.00 0.00 H new ATOM 0 HG2 LYS A 119 6.670 -12.110 -6.900 1.00 0.00 H new ATOM 0 HG3 LYS A 119 5.596 -10.752 -7.170 1.00 0.00 H new ATOM 0 HD2 LYS A 119 7.100 -9.277 -5.899 1.00 0.00 H new ATOM 0 HD3 LYS A 119 8.157 -10.629 -5.546 1.00 0.00 H new ATOM 0 HE2 LYS A 119 7.531 -9.614 -8.341 1.00 0.00 H new ATOM 0 HE3 LYS A 119 8.955 -9.172 -7.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 9.874 -10.900 -8.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 9.046 -11.867 -7.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 8.382 -11.598 -8.870 1.00 0.00 H new ATOM 1792 N LYS A 120 8.632 -12.964 -4.997 1.00 0.00 N ATOM 1793 CA LYS A 120 9.593 -13.910 -5.521 1.00 0.00 C ATOM 1794 C LYS A 120 9.619 -15.151 -4.620 1.00 0.00 C ATOM 1795 O LYS A 120 9.494 -16.282 -5.096 1.00 0.00 O ATOM 1796 CB LYS A 120 10.953 -13.225 -5.627 1.00 0.00 C ATOM 1797 CG LYS A 120 12.133 -14.151 -5.857 1.00 0.00 C ATOM 1798 CD LYS A 120 12.846 -14.449 -4.551 1.00 0.00 C ATOM 1799 CE LYS A 120 12.878 -13.222 -3.657 1.00 0.00 C ATOM 1800 NZ LYS A 120 14.000 -13.256 -2.680 1.00 0.00 N ATOM 0 H LYS A 120 9.019 -12.062 -4.720 1.00 0.00 H new ATOM 0 HA LYS A 120 9.316 -14.244 -6.521 1.00 0.00 H new ATOM 0 HB2 LYS A 120 10.915 -12.504 -6.443 1.00 0.00 H new ATOM 0 HB3 LYS A 120 11.129 -12.661 -4.711 1.00 0.00 H new ATOM 0 HG2 LYS A 120 11.789 -15.081 -6.309 1.00 0.00 H new ATOM 0 HG3 LYS A 120 12.829 -13.693 -6.560 1.00 0.00 H new ATOM 0 HD2 LYS A 120 12.342 -15.266 -4.035 1.00 0.00 H new ATOM 0 HD3 LYS A 120 13.864 -14.781 -4.756 1.00 0.00 H new ATOM 0 HE2 LYS A 120 12.966 -12.329 -4.275 1.00 0.00 H new ATOM 0 HE3 LYS A 120 11.934 -13.145 -3.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 14.018 -12.367 -2.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 13.868 -14.055 -2.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 14.900 -13.370 -3.189 1.00 0.00 H new ATOM 1814 N GLU A 121 9.753 -14.925 -3.312 1.00 0.00 N ATOM 1815 CA GLU A 121 9.643 -16.000 -2.324 1.00 0.00 C ATOM 1816 C GLU A 121 8.278 -16.716 -2.366 1.00 0.00 C ATOM 1817 O GLU A 121 8.232 -17.944 -2.363 1.00 0.00 O ATOM 1818 CB GLU A 121 9.907 -15.451 -0.922 1.00 0.00 C ATOM 1819 CG GLU A 121 11.157 -16.018 -0.275 1.00 0.00 C ATOM 1820 CD GLU A 121 12.411 -15.752 -1.081 1.00 0.00 C ATOM 1821 OE1 GLU A 121 12.682 -16.505 -2.037 1.00 0.00 O ATOM 1822 OE2 GLU A 121 13.131 -14.784 -0.763 1.00 0.00 O ATOM 0 H GLU A 121 9.938 -14.005 -2.912 1.00 0.00 H new ATOM 0 HA GLU A 121 10.397 -16.744 -2.579 1.00 0.00 H new ATOM 0 HB2 GLU A 121 9.996 -14.366 -0.976 1.00 0.00 H new ATOM 0 HB3 GLU A 121 9.048 -15.669 -0.287 1.00 0.00 H new ATOM 0 HG2 GLU A 121 11.272 -15.587 0.720 1.00 0.00 H new ATOM 0 HG3 GLU A 121 11.036 -17.093 -0.145 1.00 0.00 H new ATOM 1829 N ILE A 122 7.171 -15.965 -2.387 1.00 0.00 N ATOM 1830 CA ILE A 122 5.839 -16.546 -2.466 1.00 0.00 C ATOM 1831 C ILE A 122 5.703 -17.465 -3.692 1.00 0.00 C ATOM 1832 O ILE A 122 5.034 -18.494 -3.634 1.00 0.00 O ATOM 1833 CB ILE A 122 4.768 -15.431 -2.485 1.00 0.00 C ATOM 1834 CG1 ILE A 122 3.559 -15.826 -1.634 1.00 0.00 C ATOM 1835 CG2 ILE A 122 4.340 -15.100 -3.901 1.00 0.00 C ATOM 1836 CD1 ILE A 122 2.685 -16.907 -2.237 1.00 0.00 C ATOM 0 H ILE A 122 7.179 -14.946 -2.350 1.00 0.00 H new ATOM 0 HA ILE A 122 5.681 -17.160 -1.579 1.00 0.00 H new ATOM 0 HB ILE A 122 5.215 -14.535 -2.054 1.00 0.00 H new ATOM 0 HG12 ILE A 122 3.913 -16.165 -0.660 1.00 0.00 H new ATOM 0 HG13 ILE A 122 2.949 -14.940 -1.461 1.00 0.00 H new ATOM 0 HG21 ILE A 122 3.587 -14.313 -3.879 1.00 0.00 H new ATOM 0 HG22 ILE A 122 5.204 -14.760 -4.472 1.00 0.00 H new ATOM 0 HG23 ILE A 122 3.921 -15.989 -4.372 1.00 0.00 H new ATOM 0 HD11 ILE A 122 1.854 -17.121 -1.564 1.00 0.00 H new ATOM 0 HD12 ILE A 122 2.296 -16.567 -3.197 1.00 0.00 H new ATOM 0 HD13 ILE A 122 3.275 -17.812 -2.384 1.00 0.00 H new ATOM 1848 N HIS A 123 6.351 -17.100 -4.800 1.00 0.00 N ATOM 1849 CA HIS A 123 6.334 -17.942 -5.993 1.00 0.00 C ATOM 1850 C HIS A 123 7.165 -19.209 -5.782 1.00 0.00 C ATOM 1851 O HIS A 123 6.849 -20.267 -6.323 1.00 0.00 O ATOM 1852 CB HIS A 123 6.862 -17.184 -7.216 1.00 0.00 C ATOM 1853 CG HIS A 123 5.856 -16.281 -7.857 1.00 0.00 C ATOM 1854 ND1 HIS A 123 4.862 -15.538 -7.320 1.00 0.00 N flip ATOM 1855 CD2 HIS A 123 5.814 -16.044 -9.213 1.00 0.00 C flip ATOM 1856 CE1 HIS A 123 4.249 -14.871 -8.349 1.00 0.00 C flip ATOM 1857 NE2 HIS A 123 4.844 -15.194 -9.479 1.00 0.00 N flip ATOM 0 H HIS A 123 6.887 -16.237 -4.894 1.00 0.00 H new ATOM 0 HA HIS A 123 5.296 -18.222 -6.174 1.00 0.00 H new ATOM 0 HB2 HIS A 123 7.727 -16.592 -6.917 1.00 0.00 H new ATOM 0 HB3 HIS A 123 7.209 -17.906 -7.955 1.00 0.00 H new ATOM 0 HD2 HIS A 123 6.474 -16.486 -9.944 1.00 0.00 H new ATOM 0 HE1 HIS A 123 3.415 -14.192 -8.249 1.00 0.00 H new ATOM 0 HE2 HIS A 123 4.595 -14.844 -10.404 1.00 0.00 H new ATOM 1866 N LYS A 124 8.219 -19.089 -4.980 1.00 0.00 N ATOM 1867 CA LYS A 124 9.064 -20.215 -4.612 1.00 0.00 C ATOM 1868 C LYS A 124 8.278 -21.210 -3.759 1.00 0.00 C ATOM 1869 O LYS A 124 8.550 -22.410 -3.768 1.00 0.00 O ATOM 1870 CB LYS A 124 10.280 -19.669 -3.857 1.00 0.00 C ATOM 1871 CG LYS A 124 11.058 -20.686 -3.047 1.00 0.00 C ATOM 1872 CD LYS A 124 12.106 -19.985 -2.202 1.00 0.00 C ATOM 1873 CE LYS A 124 12.732 -20.915 -1.181 1.00 0.00 C ATOM 1874 NZ LYS A 124 13.716 -20.200 -0.328 1.00 0.00 N ATOM 0 H LYS A 124 8.510 -18.203 -4.567 1.00 0.00 H new ATOM 0 HA LYS A 124 9.400 -20.749 -5.501 1.00 0.00 H new ATOM 0 HB2 LYS A 124 10.957 -19.210 -4.578 1.00 0.00 H new ATOM 0 HB3 LYS A 124 9.944 -18.878 -3.187 1.00 0.00 H new ATOM 0 HG2 LYS A 124 10.379 -21.249 -2.406 1.00 0.00 H new ATOM 0 HG3 LYS A 124 11.537 -21.404 -3.713 1.00 0.00 H new ATOM 0 HD2 LYS A 124 12.884 -19.583 -2.851 1.00 0.00 H new ATOM 0 HD3 LYS A 124 11.650 -19.138 -1.689 1.00 0.00 H new ATOM 0 HE2 LYS A 124 11.952 -21.348 -0.555 1.00 0.00 H new ATOM 0 HE3 LYS A 124 13.225 -21.741 -1.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 14.126 -20.864 0.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 14.472 -19.808 -0.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 13.239 -19.427 0.179 1.00 0.00 H new ATOM 1888 N LEU A 125 7.290 -20.691 -3.035 1.00 0.00 N ATOM 1889 CA LEU A 125 6.386 -21.519 -2.236 1.00 0.00 C ATOM 1890 C LEU A 125 5.413 -22.324 -3.110 1.00 0.00 C ATOM 1891 O LEU A 125 4.576 -23.059 -2.586 1.00 0.00 O ATOM 1892 CB LEU A 125 5.592 -20.643 -1.263 1.00 0.00 C ATOM 1893 CG LEU A 125 6.432 -19.835 -0.273 1.00 0.00 C ATOM 1894 CD1 LEU A 125 5.537 -18.955 0.584 1.00 0.00 C ATOM 1895 CD2 LEU A 125 7.261 -20.760 0.604 1.00 0.00 C ATOM 0 H LEU A 125 7.093 -19.692 -2.984 1.00 0.00 H new ATOM 0 HA LEU A 125 7.003 -22.227 -1.683 1.00 0.00 H new ATOM 0 HB2 LEU A 125 4.978 -19.952 -1.841 1.00 0.00 H new ATOM 0 HB3 LEU A 125 4.911 -21.281 -0.700 1.00 0.00 H new ATOM 0 HG LEU A 125 7.111 -19.196 -0.838 1.00 0.00 H new ATOM 0 HD11 LEU A 125 6.149 -18.386 1.284 1.00 0.00 H new ATOM 0 HD12 LEU A 125 4.983 -18.268 -0.055 1.00 0.00 H new ATOM 0 HD13 LEU A 125 4.837 -19.579 1.139 1.00 0.00 H new ATOM 0 HD21 LEU A 125 7.852 -20.167 1.302 1.00 0.00 H new ATOM 0 HD22 LEU A 125 6.599 -21.423 1.161 1.00 0.00 H new ATOM 0 HD23 LEU A 125 7.927 -21.354 -0.022 1.00 0.00 H new