USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 651 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 65 THR OG1 : rot 161:sc= 0.878 USER MOD Set 1.2: A 68 THR OG1 : rot 70:sc= 0.687 USER MOD Set 2.1: A 15 CYS SG : rot 47:sc= -2.49! USER MOD Set 2.2: A 25 TYR OH : rot 44:sc= -0.428 USER MOD Set 2.3: A 32 CYS SG : rot -106:sc= -4.99! USER MOD Set 3.1: A 18 GLN :FLIP amide:sc= -0.302! C(o=-1.3!,f=3!) USER MOD Set 3.2: A 23 TYR OH : rot -144:sc= 2.05 USER MOD Set 3.3: A 72 THR OG1 : rot -28:sc= 0.158! USER MOD Set 3.4: A 87 TYR OH : rot 178:sc= 1.11 USER MOD Single : A 9 ASN :FLIP amide:sc= -0.035 F(o=-0.8,f=-0.035) USER MOD Single : A 13 SER OG : rot 180:sc= -0.0428 USER MOD Single : A 14 GLN : amide:sc= -0.0556 K(o=-0.056,f=-1.9!) USER MOD Single : A 17 LYS NZ :NH3+ 150:sc= -0.0069 (180deg=-0.653) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.0177 X(o=-0.018,f=-0.43) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.0618 X(o=-0.062,f=-0.47) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -177:sc= 0 (180deg=-0.01) USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= -1.07 USER MOD Single : A 47 SER OG : rot 180:sc= -0.391 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.146 K(o=-0.15,f=-2.4!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 40:sc= 0.254 USER MOD Single : A 58 SER OG : rot -128:sc= 0.00959 USER MOD Single : A 59 ASN : amide:sc= -3.96! C(o=-4!,f=-13!) USER MOD Single : A 61 LYS NZ :NH3+ -162:sc= -0.017 (180deg=-0.295) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.494 K(o=-0.49,f=-3.3!) USER MOD Single : A 73 ASN : amide:sc= -3.75! C(o=-3.7!,f=-3.7!) USER MOD Single : A 74 GLN :FLIP amide:sc= -1.71 F(o=-2.5!,f=-1.7) USER MOD Single : A 77 ASN : amide:sc= -0.0529 K(o=-0.053,f=-1.7!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -3.1! C(o=-3.1!,f=-3.5!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.0164 K(o=-0.016,f=-1.7!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 43:sc= 0.112 USER MOD ----------------------------------------------------------------- ATOM 73 N ALA A 7 55.056 -2.017 -2.110 1.00 0.00 N ATOM 74 CA ALA A 7 56.506 -2.199 -1.809 1.00 0.00 C ATOM 75 C ALA A 7 56.722 -3.562 -1.142 1.00 0.00 C ATOM 76 O ALA A 7 57.767 -3.831 -0.581 1.00 0.00 O ATOM 77 CB ALA A 7 56.975 -1.084 -0.867 1.00 0.00 C ATOM 0 HA ALA A 7 57.079 -2.155 -2.735 1.00 0.00 H new ATOM 0 HB1 ALA A 7 58.034 -1.216 -0.646 1.00 0.00 H new ATOM 0 HB2 ALA A 7 56.821 -0.116 -1.344 1.00 0.00 H new ATOM 0 HB3 ALA A 7 56.403 -1.126 0.060 1.00 0.00 H new ATOM 83 N ASP A 8 55.741 -4.423 -1.196 1.00 0.00 N ATOM 84 CA ASP A 8 55.881 -5.773 -0.569 1.00 0.00 C ATOM 85 C ASP A 8 56.404 -6.768 -1.607 1.00 0.00 C ATOM 86 O ASP A 8 57.038 -7.751 -1.276 1.00 0.00 O ATOM 87 CB ASP A 8 54.513 -6.240 -0.065 1.00 0.00 C ATOM 88 CG ASP A 8 54.677 -7.522 0.753 1.00 0.00 C ATOM 89 OD1 ASP A 8 55.739 -8.118 0.677 1.00 0.00 O ATOM 90 OD2 ASP A 8 53.739 -7.886 1.443 1.00 0.00 O ATOM 0 H ASP A 8 54.844 -4.250 -1.649 1.00 0.00 H new ATOM 0 HA ASP A 8 56.581 -5.716 0.265 1.00 0.00 H new ATOM 0 HB2 ASP A 8 54.055 -5.463 0.547 1.00 0.00 H new ATOM 0 HB3 ASP A 8 53.845 -6.418 -0.908 1.00 0.00 H new ATOM 95 N ASN A 9 56.128 -6.526 -2.863 1.00 0.00 N ATOM 96 CA ASN A 9 56.589 -7.459 -3.939 1.00 0.00 C ATOM 97 C ASN A 9 57.908 -6.969 -4.528 1.00 0.00 C ATOM 98 O ASN A 9 58.419 -7.537 -5.474 1.00 0.00 O ATOM 99 CB ASN A 9 55.536 -7.511 -5.045 1.00 0.00 C ATOM 100 CG ASN A 9 54.304 -8.265 -4.544 1.00 0.00 C ATOM 101 OD1 ASN A 9 54.464 -9.361 -3.853 1.00 0.00 O flip ATOM 102 ND2 ASN A 9 53.186 -7.855 -4.783 1.00 0.00 N flip ATOM 0 H ASN A 9 55.600 -5.718 -3.193 1.00 0.00 H new ATOM 0 HA ASN A 9 56.733 -8.452 -3.513 1.00 0.00 H new ATOM 0 HB2 ASN A 9 55.259 -6.500 -5.346 1.00 0.00 H new ATOM 0 HB3 ASN A 9 55.944 -8.005 -5.927 1.00 0.00 H new ATOM 0 HD21 ASN A 9 53.061 -6.999 -5.323 1.00 0.00 H new ATOM 0 HD22 ASN A 9 52.372 -8.367 -4.444 1.00 0.00 H new ATOM 109 N VAL A 10 58.460 -5.915 -3.984 1.00 0.00 N ATOM 110 CA VAL A 10 59.749 -5.371 -4.517 1.00 0.00 C ATOM 111 C VAL A 10 60.871 -5.611 -3.508 1.00 0.00 C ATOM 112 O VAL A 10 60.726 -5.352 -2.329 1.00 0.00 O ATOM 113 CB VAL A 10 59.617 -3.866 -4.731 1.00 0.00 C ATOM 114 CG1 VAL A 10 60.845 -3.352 -5.477 1.00 0.00 C ATOM 115 CG2 VAL A 10 58.372 -3.556 -5.550 1.00 0.00 C ATOM 0 H VAL A 10 58.073 -5.404 -3.190 1.00 0.00 H new ATOM 0 HA VAL A 10 59.978 -5.871 -5.458 1.00 0.00 H new ATOM 0 HB VAL A 10 59.537 -3.378 -3.760 1.00 0.00 H new ATOM 0 HG11 VAL A 10 60.753 -2.277 -5.631 1.00 0.00 H new ATOM 0 HG12 VAL A 10 61.740 -3.559 -4.891 1.00 0.00 H new ATOM 0 HG13 VAL A 10 60.920 -3.852 -6.443 1.00 0.00 H new ATOM 0 HG21 VAL A 10 58.291 -2.479 -5.695 1.00 0.00 H new ATOM 0 HG22 VAL A 10 58.443 -4.048 -6.520 1.00 0.00 H new ATOM 0 HG23 VAL A 10 57.490 -3.919 -5.023 1.00 0.00 H new ATOM 125 N ASP A 11 62.000 -6.083 -3.964 1.00 0.00 N ATOM 126 CA ASP A 11 63.144 -6.312 -3.038 1.00 0.00 C ATOM 127 C ASP A 11 63.992 -5.028 -3.003 1.00 0.00 C ATOM 128 O ASP A 11 64.311 -4.481 -4.040 1.00 0.00 O ATOM 129 CB ASP A 11 63.996 -7.474 -3.557 1.00 0.00 C ATOM 130 CG ASP A 11 63.232 -8.787 -3.367 1.00 0.00 C ATOM 131 OD1 ASP A 11 62.017 -8.733 -3.280 1.00 0.00 O ATOM 132 OD2 ASP A 11 63.873 -9.823 -3.309 1.00 0.00 O ATOM 0 H ASP A 11 62.179 -6.320 -4.940 1.00 0.00 H new ATOM 0 HA ASP A 11 62.783 -6.556 -2.039 1.00 0.00 H new ATOM 0 HB2 ASP A 11 64.230 -7.326 -4.611 1.00 0.00 H new ATOM 0 HB3 ASP A 11 64.945 -7.511 -3.022 1.00 0.00 H new ATOM 137 N PRO A 12 64.353 -4.530 -1.840 1.00 0.00 N ATOM 138 CA PRO A 12 65.165 -3.280 -1.738 1.00 0.00 C ATOM 139 C PRO A 12 66.629 -3.526 -2.118 1.00 0.00 C ATOM 140 O PRO A 12 67.389 -2.605 -2.345 1.00 0.00 O ATOM 141 CB PRO A 12 65.038 -2.894 -0.260 1.00 0.00 C ATOM 142 CG PRO A 12 64.845 -4.194 0.450 1.00 0.00 C ATOM 143 CD PRO A 12 64.047 -5.085 -0.504 1.00 0.00 C ATOM 0 HA PRO A 12 64.820 -2.500 -2.416 1.00 0.00 H new ATOM 0 HB2 PRO A 12 65.930 -2.377 0.093 1.00 0.00 H new ATOM 0 HB3 PRO A 12 64.195 -2.223 -0.096 1.00 0.00 H new ATOM 0 HG2 PRO A 12 65.804 -4.649 0.697 1.00 0.00 H new ATOM 0 HG3 PRO A 12 64.309 -4.050 1.388 1.00 0.00 H new ATOM 0 HD2 PRO A 12 64.350 -6.129 -0.425 1.00 0.00 H new ATOM 0 HD3 PRO A 12 62.979 -5.046 -0.289 1.00 0.00 H new ATOM 151 N SER A 13 67.022 -4.766 -2.187 1.00 0.00 N ATOM 152 CA SER A 13 68.429 -5.090 -2.548 1.00 0.00 C ATOM 153 C SER A 13 68.697 -4.695 -4.002 1.00 0.00 C ATOM 154 O SER A 13 69.780 -4.265 -4.349 1.00 0.00 O ATOM 155 CB SER A 13 68.653 -6.593 -2.378 1.00 0.00 C ATOM 156 OG SER A 13 67.968 -7.291 -3.412 1.00 0.00 O ATOM 0 H SER A 13 66.426 -5.574 -2.008 1.00 0.00 H new ATOM 0 HA SER A 13 69.108 -4.538 -1.899 1.00 0.00 H new ATOM 0 HB2 SER A 13 69.719 -6.820 -2.415 1.00 0.00 H new ATOM 0 HB3 SER A 13 68.291 -6.918 -1.403 1.00 0.00 H new ATOM 0 HG SER A 13 68.111 -8.255 -3.307 1.00 0.00 H new ATOM 162 N GLN A 14 67.724 -4.851 -4.860 1.00 0.00 N ATOM 163 CA GLN A 14 67.929 -4.503 -6.298 1.00 0.00 C ATOM 164 C GLN A 14 67.556 -3.040 -6.549 1.00 0.00 C ATOM 165 O GLN A 14 67.850 -2.491 -7.591 1.00 0.00 O ATOM 166 CB GLN A 14 67.037 -5.399 -7.156 1.00 0.00 C ATOM 167 CG GLN A 14 67.518 -6.847 -7.046 1.00 0.00 C ATOM 168 CD GLN A 14 66.491 -7.773 -7.697 1.00 0.00 C ATOM 169 OE1 GLN A 14 65.335 -7.421 -7.827 1.00 0.00 O ATOM 170 NE2 GLN A 14 66.865 -8.951 -8.116 1.00 0.00 N ATOM 0 H GLN A 14 66.796 -5.204 -4.628 1.00 0.00 H new ATOM 0 HA GLN A 14 68.978 -4.651 -6.556 1.00 0.00 H new ATOM 0 HB2 GLN A 14 66.001 -5.322 -6.827 1.00 0.00 H new ATOM 0 HB3 GLN A 14 67.066 -5.072 -8.195 1.00 0.00 H new ATOM 0 HG2 GLN A 14 68.486 -6.959 -7.535 1.00 0.00 H new ATOM 0 HG3 GLN A 14 67.656 -7.118 -5.999 1.00 0.00 H new ATOM 0 HE21 GLN A 14 67.835 -9.247 -8.007 1.00 0.00 H new ATOM 0 HE22 GLN A 14 66.187 -9.576 -8.552 1.00 0.00 H new ATOM 179 N CYS A 15 66.922 -2.398 -5.608 1.00 0.00 N ATOM 180 CA CYS A 15 66.544 -0.971 -5.812 1.00 0.00 C ATOM 181 C CYS A 15 67.816 -0.128 -5.804 1.00 0.00 C ATOM 182 O CYS A 15 67.901 0.898 -6.450 1.00 0.00 O ATOM 183 CB CYS A 15 65.609 -0.522 -4.685 1.00 0.00 C ATOM 184 SG CYS A 15 64.742 0.985 -5.186 1.00 0.00 S ATOM 0 H CYS A 15 66.650 -2.797 -4.710 1.00 0.00 H new ATOM 0 HA CYS A 15 66.027 -0.850 -6.764 1.00 0.00 H new ATOM 0 HB2 CYS A 15 64.890 -1.310 -4.459 1.00 0.00 H new ATOM 0 HB3 CYS A 15 66.180 -0.340 -3.775 1.00 0.00 H new ATOM 0 HG CYS A 15 64.283 0.840 -6.394 1.00 0.00 H new ATOM 189 N ILE A 16 68.813 -0.576 -5.084 1.00 0.00 N ATOM 190 CA ILE A 16 70.113 0.158 -5.016 1.00 0.00 C ATOM 191 C ILE A 16 71.218 -0.772 -5.521 1.00 0.00 C ATOM 192 O ILE A 16 71.164 -1.970 -5.324 1.00 0.00 O ATOM 193 CB ILE A 16 70.389 0.564 -3.559 1.00 0.00 C ATOM 194 CG1 ILE A 16 70.461 -0.697 -2.650 1.00 0.00 C ATOM 195 CG2 ILE A 16 69.253 1.482 -3.085 1.00 0.00 C ATOM 196 CD1 ILE A 16 71.921 -1.104 -2.403 1.00 0.00 C ATOM 0 H ILE A 16 68.780 -1.433 -4.532 1.00 0.00 H new ATOM 0 HA ILE A 16 70.079 1.057 -5.632 1.00 0.00 H new ATOM 0 HB ILE A 16 71.344 1.085 -3.499 1.00 0.00 H new ATOM 0 HG12 ILE A 16 69.969 -0.495 -1.699 1.00 0.00 H new ATOM 0 HG13 ILE A 16 69.923 -1.521 -3.119 1.00 0.00 H new ATOM 0 HG21 ILE A 16 69.433 1.780 -2.052 1.00 0.00 H new ATOM 0 HG22 ILE A 16 69.214 2.369 -3.717 1.00 0.00 H new ATOM 0 HG23 ILE A 16 68.304 0.949 -3.149 1.00 0.00 H new ATOM 0 HD11 ILE A 16 71.950 -1.988 -1.765 1.00 0.00 H new ATOM 0 HD12 ILE A 16 72.402 -1.328 -3.355 1.00 0.00 H new ATOM 0 HD13 ILE A 16 72.449 -0.286 -1.913 1.00 0.00 H new ATOM 208 N LYS A 17 72.212 -0.233 -6.184 1.00 0.00 N ATOM 209 CA LYS A 17 73.323 -1.082 -6.724 1.00 0.00 C ATOM 210 C LYS A 17 74.672 -0.537 -6.258 1.00 0.00 C ATOM 211 O LYS A 17 74.816 0.635 -5.969 1.00 0.00 O ATOM 212 CB LYS A 17 73.273 -1.072 -8.251 1.00 0.00 C ATOM 213 CG LYS A 17 72.047 -1.854 -8.728 1.00 0.00 C ATOM 214 CD LYS A 17 72.003 -1.838 -10.256 1.00 0.00 C ATOM 215 CE LYS A 17 70.787 -2.626 -10.743 1.00 0.00 C ATOM 216 NZ LYS A 17 69.541 -2.003 -10.215 1.00 0.00 N ATOM 0 H LYS A 17 72.303 0.765 -6.376 1.00 0.00 H new ATOM 0 HA LYS A 17 73.203 -2.102 -6.358 1.00 0.00 H new ATOM 0 HB2 LYS A 17 73.228 -0.046 -8.617 1.00 0.00 H new ATOM 0 HB3 LYS A 17 74.181 -1.516 -8.658 1.00 0.00 H new ATOM 0 HG2 LYS A 17 72.092 -2.881 -8.364 1.00 0.00 H new ATOM 0 HG3 LYS A 17 71.138 -1.411 -8.322 1.00 0.00 H new ATOM 0 HD2 LYS A 17 71.952 -0.811 -10.618 1.00 0.00 H new ATOM 0 HD3 LYS A 17 72.917 -2.273 -10.661 1.00 0.00 H new ATOM 0 HE2 LYS A 17 70.764 -2.641 -11.833 1.00 0.00 H new ATOM 0 HE3 LYS A 17 70.856 -3.662 -10.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 68.762 -2.164 -10.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 69.302 -2.429 -9.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 69.688 -0.981 -10.095 1.00 0.00 H new ATOM 230 N GLN A 18 75.664 -1.386 -6.181 1.00 0.00 N ATOM 231 CA GLN A 18 77.013 -0.932 -5.731 1.00 0.00 C ATOM 232 C GLN A 18 77.886 -0.626 -6.948 1.00 0.00 C ATOM 233 O GLN A 18 78.157 -1.491 -7.759 1.00 0.00 O ATOM 234 CB GLN A 18 77.667 -2.050 -4.918 1.00 0.00 C ATOM 235 CG GLN A 18 76.930 -2.207 -3.591 1.00 0.00 C ATOM 236 CD GLN A 18 77.571 -3.336 -2.781 1.00 0.00 C ATOM 237 OE1 GLN A 18 76.908 -3.874 -1.793 1.00 0.00 O flip ATOM 238 NE2 GLN A 18 78.684 -3.738 -3.055 1.00 0.00 N flip ATOM 0 H GLN A 18 75.597 -2.377 -6.411 1.00 0.00 H new ATOM 0 HA GLN A 18 76.911 -0.034 -5.122 1.00 0.00 H new ATOM 0 HB2 GLN A 18 77.638 -2.986 -5.476 1.00 0.00 H new ATOM 0 HB3 GLN A 18 78.717 -1.818 -4.739 1.00 0.00 H new ATOM 0 HG2 GLN A 18 76.969 -1.274 -3.029 1.00 0.00 H new ATOM 0 HG3 GLN A 18 75.878 -2.427 -3.771 1.00 0.00 H new ATOM 0 HE21 GLN A 18 79.202 -3.318 -3.827 1.00 0.00 H new ATOM 0 HE22 GLN A 18 79.100 -4.495 -2.513 1.00 0.00 H new ATOM 247 N SER A 19 78.348 0.595 -7.071 1.00 0.00 N ATOM 248 CA SER A 19 79.226 0.972 -8.224 1.00 0.00 C ATOM 249 C SER A 19 80.637 1.222 -7.697 1.00 0.00 C ATOM 250 O SER A 19 80.868 2.136 -6.931 1.00 0.00 O ATOM 251 CB SER A 19 78.695 2.249 -8.876 1.00 0.00 C ATOM 252 OG SER A 19 79.726 2.838 -9.659 1.00 0.00 O ATOM 0 H SER A 19 78.153 1.353 -6.417 1.00 0.00 H new ATOM 0 HA SER A 19 79.236 0.171 -8.963 1.00 0.00 H new ATOM 0 HB2 SER A 19 77.832 2.020 -9.502 1.00 0.00 H new ATOM 0 HB3 SER A 19 78.358 2.949 -8.111 1.00 0.00 H new ATOM 0 HG SER A 19 79.390 3.656 -10.080 1.00 0.00 H new ATOM 258 N GLY A 20 81.584 0.420 -8.091 1.00 0.00 N ATOM 259 CA GLY A 20 82.971 0.626 -7.591 1.00 0.00 C ATOM 260 C GLY A 20 82.958 0.609 -6.058 1.00 0.00 C ATOM 261 O GLY A 20 82.734 -0.415 -5.445 1.00 0.00 O ATOM 0 H GLY A 20 81.460 -0.363 -8.732 1.00 0.00 H new ATOM 0 HA2 GLY A 20 83.628 -0.157 -7.970 1.00 0.00 H new ATOM 0 HA3 GLY A 20 83.364 1.576 -7.953 1.00 0.00 H new ATOM 265 N VAL A 21 83.204 1.740 -5.437 1.00 0.00 N ATOM 266 CA VAL A 21 83.216 1.813 -3.935 1.00 0.00 C ATOM 267 C VAL A 21 82.113 2.756 -3.449 1.00 0.00 C ATOM 268 O VAL A 21 82.185 3.282 -2.355 1.00 0.00 O ATOM 269 CB VAL A 21 84.562 2.372 -3.472 1.00 0.00 C ATOM 270 CG1 VAL A 21 85.697 1.521 -4.039 1.00 0.00 C ATOM 271 CG2 VAL A 21 84.709 3.820 -3.963 1.00 0.00 C ATOM 0 H VAL A 21 83.399 2.623 -5.908 1.00 0.00 H new ATOM 0 HA VAL A 21 83.054 0.814 -3.530 1.00 0.00 H new ATOM 0 HB VAL A 21 84.608 2.350 -2.383 1.00 0.00 H new ATOM 0 HG11 VAL A 21 86.654 1.923 -3.707 1.00 0.00 H new ATOM 0 HG12 VAL A 21 85.593 0.495 -3.687 1.00 0.00 H new ATOM 0 HG13 VAL A 21 85.655 1.538 -5.128 1.00 0.00 H new ATOM 0 HG21 VAL A 21 85.668 4.220 -3.634 1.00 0.00 H new ATOM 0 HG22 VAL A 21 84.661 3.842 -5.052 1.00 0.00 H new ATOM 0 HG23 VAL A 21 83.902 4.427 -3.552 1.00 0.00 H new ATOM 281 N GLN A 22 81.116 3.007 -4.262 1.00 0.00 N ATOM 282 CA GLN A 22 80.027 3.960 -3.861 1.00 0.00 C ATOM 283 C GLN A 22 78.645 3.316 -4.019 1.00 0.00 C ATOM 284 O GLN A 22 78.468 2.359 -4.746 1.00 0.00 O ATOM 285 CB GLN A 22 80.109 5.197 -4.762 1.00 0.00 C ATOM 286 CG GLN A 22 79.324 6.348 -4.133 1.00 0.00 C ATOM 287 CD GLN A 22 79.460 7.596 -5.007 1.00 0.00 C ATOM 288 OE1 GLN A 22 79.401 7.514 -6.218 1.00 0.00 O ATOM 289 NE2 GLN A 22 79.645 8.756 -4.440 1.00 0.00 N ATOM 0 H GLN A 22 81.007 2.594 -5.188 1.00 0.00 H new ATOM 0 HA GLN A 22 80.161 4.231 -2.814 1.00 0.00 H new ATOM 0 HB2 GLN A 22 81.150 5.488 -4.902 1.00 0.00 H new ATOM 0 HB3 GLN A 22 79.707 4.967 -5.749 1.00 0.00 H new ATOM 0 HG2 GLN A 22 78.274 6.074 -4.033 1.00 0.00 H new ATOM 0 HG3 GLN A 22 79.698 6.551 -3.129 1.00 0.00 H new ATOM 0 HE21 GLN A 22 79.694 8.825 -3.424 1.00 0.00 H new ATOM 0 HE22 GLN A 22 79.740 9.594 -5.013 1.00 0.00 H new ATOM 298 N TYR A 23 77.660 3.868 -3.352 1.00 0.00 N ATOM 299 CA TYR A 23 76.259 3.349 -3.450 1.00 0.00 C ATOM 300 C TYR A 23 75.412 4.395 -4.186 1.00 0.00 C ATOM 301 O TYR A 23 75.479 5.572 -3.890 1.00 0.00 O ATOM 302 CB TYR A 23 75.685 3.153 -2.031 1.00 0.00 C ATOM 303 CG TYR A 23 75.970 1.761 -1.513 1.00 0.00 C ATOM 304 CD1 TYR A 23 77.149 1.496 -0.805 1.00 0.00 C ATOM 305 CD2 TYR A 23 75.038 0.738 -1.730 1.00 0.00 C ATOM 306 CE1 TYR A 23 77.394 0.206 -0.317 1.00 0.00 C ATOM 307 CE2 TYR A 23 75.283 -0.549 -1.239 1.00 0.00 C ATOM 308 CZ TYR A 23 76.461 -0.815 -0.533 1.00 0.00 C ATOM 309 OH TYR A 23 76.705 -2.085 -0.050 1.00 0.00 O ATOM 0 H TYR A 23 77.770 4.671 -2.733 1.00 0.00 H new ATOM 0 HA TYR A 23 76.247 2.398 -3.983 1.00 0.00 H new ATOM 0 HB2 TYR A 23 76.118 3.891 -1.356 1.00 0.00 H new ATOM 0 HB3 TYR A 23 74.609 3.326 -2.044 1.00 0.00 H new ATOM 0 HD1 TYR A 23 77.868 2.284 -0.636 1.00 0.00 H new ATOM 0 HD2 TYR A 23 74.129 0.943 -2.277 1.00 0.00 H new ATOM 0 HE1 TYR A 23 78.304 -0.001 0.227 1.00 0.00 H new ATOM 0 HE2 TYR A 23 74.563 -1.337 -1.405 1.00 0.00 H new ATOM 0 HH TYR A 23 76.355 -2.748 -0.681 1.00 0.00 H new ATOM 319 N THR A 24 74.611 3.977 -5.132 1.00 0.00 N ATOM 320 CA THR A 24 73.746 4.945 -5.880 1.00 0.00 C ATOM 321 C THR A 24 72.324 4.391 -5.948 1.00 0.00 C ATOM 322 O THR A 24 72.113 3.198 -6.035 1.00 0.00 O ATOM 323 CB THR A 24 74.295 5.141 -7.295 1.00 0.00 C ATOM 324 OG1 THR A 24 74.455 3.874 -7.918 1.00 0.00 O ATOM 325 CG2 THR A 24 75.649 5.854 -7.225 1.00 0.00 C ATOM 0 H THR A 24 74.517 3.003 -5.421 1.00 0.00 H new ATOM 0 HA THR A 24 73.740 5.907 -5.367 1.00 0.00 H new ATOM 0 HB THR A 24 73.599 5.746 -7.876 1.00 0.00 H new ATOM 0 HG1 THR A 24 74.805 3.997 -8.825 1.00 0.00 H new ATOM 0 HG21 THR A 24 76.039 5.993 -8.233 1.00 0.00 H new ATOM 0 HG22 THR A 24 75.524 6.826 -6.747 1.00 0.00 H new ATOM 0 HG23 THR A 24 76.348 5.251 -6.645 1.00 0.00 H new ATOM 333 N TYR A 25 71.347 5.251 -5.901 1.00 0.00 N ATOM 334 CA TYR A 25 69.934 4.784 -5.953 1.00 0.00 C ATOM 335 C TYR A 25 69.537 4.558 -7.415 1.00 0.00 C ATOM 336 O TYR A 25 69.688 5.431 -8.247 1.00 0.00 O ATOM 337 CB TYR A 25 69.040 5.869 -5.329 1.00 0.00 C ATOM 338 CG TYR A 25 67.766 5.263 -4.771 1.00 0.00 C ATOM 339 CD1 TYR A 25 66.849 4.633 -5.623 1.00 0.00 C ATOM 340 CD2 TYR A 25 67.498 5.345 -3.397 1.00 0.00 C ATOM 341 CE1 TYR A 25 65.670 4.084 -5.100 1.00 0.00 C ATOM 342 CE2 TYR A 25 66.322 4.801 -2.878 1.00 0.00 C ATOM 343 CZ TYR A 25 65.406 4.169 -3.728 1.00 0.00 C ATOM 344 OH TYR A 25 64.244 3.630 -3.213 1.00 0.00 O ATOM 0 H TYR A 25 71.466 6.261 -5.829 1.00 0.00 H new ATOM 0 HA TYR A 25 69.818 3.850 -5.403 1.00 0.00 H new ATOM 0 HB2 TYR A 25 69.583 6.381 -4.534 1.00 0.00 H new ATOM 0 HB3 TYR A 25 68.792 6.619 -6.080 1.00 0.00 H new ATOM 0 HD1 TYR A 25 67.051 4.570 -6.682 1.00 0.00 H new ATOM 0 HD2 TYR A 25 68.203 5.830 -2.739 1.00 0.00 H new ATOM 0 HE1 TYR A 25 64.965 3.595 -5.756 1.00 0.00 H new ATOM 0 HE2 TYR A 25 66.118 4.868 -1.819 1.00 0.00 H new ATOM 0 HH TYR A 25 64.086 2.750 -3.614 1.00 0.00 H new ATOM 354 N ASN A 26 69.025 3.400 -7.739 1.00 0.00 N ATOM 355 CA ASN A 26 68.617 3.138 -9.149 1.00 0.00 C ATOM 356 C ASN A 26 67.203 3.678 -9.370 1.00 0.00 C ATOM 357 O ASN A 26 66.241 2.941 -9.342 1.00 0.00 O ATOM 358 CB ASN A 26 68.634 1.630 -9.418 1.00 0.00 C ATOM 359 CG ASN A 26 68.422 1.379 -10.913 1.00 0.00 C ATOM 360 OD1 ASN A 26 67.434 0.793 -11.306 1.00 0.00 O ATOM 361 ND2 ASN A 26 69.307 1.812 -11.770 1.00 0.00 N ATOM 0 H ASN A 26 68.872 2.628 -7.091 1.00 0.00 H new ATOM 0 HA ASN A 26 69.311 3.633 -9.828 1.00 0.00 H new ATOM 0 HB2 ASN A 26 69.584 1.203 -9.097 1.00 0.00 H new ATOM 0 HB3 ASN A 26 67.852 1.137 -8.841 1.00 0.00 H new ATOM 0 HD21 ASN A 26 69.168 1.658 -12.769 1.00 0.00 H new ATOM 0 HD22 ASN A 26 70.137 2.304 -11.441 1.00 0.00 H new ATOM 368 N SER A 27 67.073 4.959 -9.589 1.00 0.00 N ATOM 369 CA SER A 27 65.721 5.551 -9.816 1.00 0.00 C ATOM 370 C SER A 27 65.331 5.384 -11.286 1.00 0.00 C ATOM 371 O SER A 27 64.215 5.661 -11.679 1.00 0.00 O ATOM 372 CB SER A 27 65.748 7.039 -9.465 1.00 0.00 C ATOM 373 OG SER A 27 66.596 7.722 -10.379 1.00 0.00 O ATOM 0 H SER A 27 67.846 5.623 -9.621 1.00 0.00 H new ATOM 0 HA SER A 27 64.993 5.042 -9.185 1.00 0.00 H new ATOM 0 HB2 SER A 27 64.740 7.453 -9.507 1.00 0.00 H new ATOM 0 HB3 SER A 27 66.107 7.177 -8.445 1.00 0.00 H new ATOM 0 HG SER A 27 66.614 8.677 -10.158 1.00 0.00 H new ATOM 379 N GLY A 28 66.248 4.940 -12.103 1.00 0.00 N ATOM 380 CA GLY A 28 65.940 4.764 -13.552 1.00 0.00 C ATOM 381 C GLY A 28 64.708 3.871 -13.725 1.00 0.00 C ATOM 382 O GLY A 28 64.247 3.651 -14.828 1.00 0.00 O ATOM 0 H GLY A 28 67.199 4.691 -11.829 1.00 0.00 H new ATOM 0 HA2 GLY A 28 65.762 5.735 -14.014 1.00 0.00 H new ATOM 0 HA3 GLY A 28 66.795 4.320 -14.062 1.00 0.00 H new ATOM 386 N VAL A 29 64.161 3.367 -12.644 1.00 0.00 N ATOM 387 CA VAL A 29 62.943 2.500 -12.734 1.00 0.00 C ATOM 388 C VAL A 29 61.744 3.290 -12.194 1.00 0.00 C ATOM 389 O VAL A 29 61.810 3.907 -11.150 1.00 0.00 O ATOM 390 CB VAL A 29 63.168 1.224 -11.917 1.00 0.00 C ATOM 391 CG1 VAL A 29 64.353 0.456 -12.507 1.00 0.00 C ATOM 392 CG2 VAL A 29 63.480 1.583 -10.465 1.00 0.00 C ATOM 0 H VAL A 29 64.509 3.520 -11.697 1.00 0.00 H new ATOM 0 HA VAL A 29 62.748 2.215 -13.768 1.00 0.00 H new ATOM 0 HB VAL A 29 62.267 0.611 -11.951 1.00 0.00 H new ATOM 0 HG11 VAL A 29 64.520 -0.454 -11.931 1.00 0.00 H new ATOM 0 HG12 VAL A 29 64.138 0.195 -13.543 1.00 0.00 H new ATOM 0 HG13 VAL A 29 65.246 1.079 -12.468 1.00 0.00 H new ATOM 0 HG21 VAL A 29 63.639 0.670 -9.891 1.00 0.00 H new ATOM 0 HG22 VAL A 29 64.380 2.197 -10.427 1.00 0.00 H new ATOM 0 HG23 VAL A 29 62.644 2.139 -10.040 1.00 0.00 H new ATOM 402 N SER A 30 60.663 3.304 -12.921 1.00 0.00 N ATOM 403 CA SER A 30 59.466 4.082 -12.486 1.00 0.00 C ATOM 404 C SER A 30 58.892 3.533 -11.172 1.00 0.00 C ATOM 405 O SER A 30 58.312 4.263 -10.393 1.00 0.00 O ATOM 406 CB SER A 30 58.405 4.014 -13.586 1.00 0.00 C ATOM 407 OG SER A 30 57.889 2.693 -13.660 1.00 0.00 O ATOM 0 H SER A 30 60.555 2.807 -13.805 1.00 0.00 H new ATOM 0 HA SER A 30 59.763 5.116 -12.313 1.00 0.00 H new ATOM 0 HB2 SER A 30 57.601 4.719 -13.376 1.00 0.00 H new ATOM 0 HB3 SER A 30 58.839 4.301 -14.544 1.00 0.00 H new ATOM 0 HG SER A 30 57.208 2.647 -14.363 1.00 0.00 H new ATOM 413 N VAL A 31 59.029 2.259 -10.921 1.00 0.00 N ATOM 414 CA VAL A 31 58.467 1.685 -9.660 1.00 0.00 C ATOM 415 C VAL A 31 59.098 2.363 -8.435 1.00 0.00 C ATOM 416 O VAL A 31 58.431 2.623 -7.453 1.00 0.00 O ATOM 417 CB VAL A 31 58.737 0.175 -9.604 1.00 0.00 C ATOM 418 CG1 VAL A 31 60.233 -0.080 -9.393 1.00 0.00 C ATOM 419 CG2 VAL A 31 57.945 -0.438 -8.443 1.00 0.00 C ATOM 0 H VAL A 31 59.503 1.592 -11.530 1.00 0.00 H new ATOM 0 HA VAL A 31 57.391 1.862 -9.650 1.00 0.00 H new ATOM 0 HB VAL A 31 58.426 -0.282 -10.544 1.00 0.00 H new ATOM 0 HG11 VAL A 31 60.417 -1.154 -9.354 1.00 0.00 H new ATOM 0 HG12 VAL A 31 60.796 0.355 -10.218 1.00 0.00 H new ATOM 0 HG13 VAL A 31 60.551 0.377 -8.456 1.00 0.00 H new ATOM 0 HG21 VAL A 31 58.134 -1.511 -8.400 1.00 0.00 H new ATOM 0 HG22 VAL A 31 58.257 0.023 -7.506 1.00 0.00 H new ATOM 0 HG23 VAL A 31 56.880 -0.263 -8.597 1.00 0.00 H new ATOM 429 N CYS A 32 60.377 2.633 -8.470 1.00 0.00 N ATOM 430 CA CYS A 32 61.033 3.278 -7.291 1.00 0.00 C ATOM 431 C CYS A 32 60.382 4.635 -7.004 1.00 0.00 C ATOM 432 O CYS A 32 60.162 4.995 -5.864 1.00 0.00 O ATOM 433 CB CYS A 32 62.527 3.474 -7.572 1.00 0.00 C ATOM 434 SG CYS A 32 63.380 1.883 -7.438 1.00 0.00 S ATOM 0 H CYS A 32 60.994 2.437 -9.258 1.00 0.00 H new ATOM 0 HA CYS A 32 60.910 2.633 -6.421 1.00 0.00 H new ATOM 0 HB2 CYS A 32 62.669 3.892 -8.569 1.00 0.00 H new ATOM 0 HB3 CYS A 32 62.951 4.187 -6.864 1.00 0.00 H new ATOM 0 HG CYS A 32 64.071 1.852 -6.337 1.00 0.00 H new ATOM 439 N MET A 33 60.062 5.389 -8.021 1.00 0.00 N ATOM 440 CA MET A 33 59.419 6.713 -7.782 1.00 0.00 C ATOM 441 C MET A 33 57.929 6.511 -7.498 1.00 0.00 C ATOM 442 O MET A 33 57.260 7.399 -7.016 1.00 0.00 O ATOM 443 CB MET A 33 59.600 7.613 -9.016 1.00 0.00 C ATOM 444 CG MET A 33 60.998 8.243 -9.000 1.00 0.00 C ATOM 445 SD MET A 33 60.987 9.661 -7.865 1.00 0.00 S ATOM 446 CE MET A 33 62.454 9.236 -6.892 1.00 0.00 C ATOM 0 H MET A 33 60.217 5.148 -9.000 1.00 0.00 H new ATOM 0 HA MET A 33 59.888 7.193 -6.923 1.00 0.00 H new ATOM 0 HB2 MET A 33 59.465 7.029 -9.926 1.00 0.00 H new ATOM 0 HB3 MET A 33 58.839 8.394 -9.023 1.00 0.00 H new ATOM 0 HG2 MET A 33 61.739 7.510 -8.681 1.00 0.00 H new ATOM 0 HG3 MET A 33 61.279 8.564 -10.003 1.00 0.00 H new ATOM 0 HE1 MET A 33 62.588 9.969 -6.096 1.00 0.00 H new ATOM 0 HE2 MET A 33 62.327 8.245 -6.456 1.00 0.00 H new ATOM 0 HE3 MET A 33 63.332 9.238 -7.538 1.00 0.00 H new ATOM 456 N GLN A 34 57.401 5.352 -7.778 1.00 0.00 N ATOM 457 CA GLN A 34 55.958 5.123 -7.498 1.00 0.00 C ATOM 458 C GLN A 34 55.722 5.297 -5.992 1.00 0.00 C ATOM 459 O GLN A 34 54.737 5.866 -5.563 1.00 0.00 O ATOM 460 CB GLN A 34 55.569 3.703 -7.927 1.00 0.00 C ATOM 461 CG GLN A 34 54.070 3.495 -7.713 1.00 0.00 C ATOM 462 CD GLN A 34 53.664 2.113 -8.226 1.00 0.00 C ATOM 463 OE1 GLN A 34 54.433 1.448 -8.892 1.00 0.00 O ATOM 464 NE2 GLN A 34 52.481 1.647 -7.936 1.00 0.00 N ATOM 0 H GLN A 34 57.901 4.561 -8.184 1.00 0.00 H new ATOM 0 HA GLN A 34 55.349 5.836 -8.054 1.00 0.00 H new ATOM 0 HB2 GLN A 34 55.822 3.547 -8.976 1.00 0.00 H new ATOM 0 HB3 GLN A 34 56.134 2.971 -7.350 1.00 0.00 H new ATOM 0 HG2 GLN A 34 53.828 3.586 -6.654 1.00 0.00 H new ATOM 0 HG3 GLN A 34 53.507 4.268 -8.237 1.00 0.00 H new ATOM 0 HE21 GLN A 34 51.836 2.205 -7.377 1.00 0.00 H new ATOM 0 HE22 GLN A 34 52.201 0.724 -8.268 1.00 0.00 H new ATOM 473 N GLY A 35 56.630 4.803 -5.189 1.00 0.00 N ATOM 474 CA GLY A 35 56.481 4.921 -3.707 1.00 0.00 C ATOM 475 C GLY A 35 56.976 6.290 -3.223 1.00 0.00 C ATOM 476 O GLY A 35 56.286 6.985 -2.506 1.00 0.00 O ATOM 0 H GLY A 35 57.473 4.320 -5.499 1.00 0.00 H new ATOM 0 HA2 GLY A 35 55.436 4.787 -3.429 1.00 0.00 H new ATOM 0 HA3 GLY A 35 57.046 4.129 -3.215 1.00 0.00 H new ATOM 480 N LEU A 36 58.165 6.684 -3.598 1.00 0.00 N ATOM 481 CA LEU A 36 58.691 8.005 -3.139 1.00 0.00 C ATOM 482 C LEU A 36 57.727 9.106 -3.593 1.00 0.00 C ATOM 483 O LEU A 36 57.453 10.042 -2.867 1.00 0.00 O ATOM 484 CB LEU A 36 60.083 8.239 -3.765 1.00 0.00 C ATOM 485 CG LEU A 36 61.189 7.691 -2.841 1.00 0.00 C ATOM 486 CD1 LEU A 36 62.437 7.362 -3.665 1.00 0.00 C ATOM 487 CD2 LEU A 36 61.557 8.748 -1.793 1.00 0.00 C ATOM 0 H LEU A 36 58.793 6.151 -4.200 1.00 0.00 H new ATOM 0 HA LEU A 36 58.777 8.020 -2.052 1.00 0.00 H new ATOM 0 HB2 LEU A 36 60.138 7.750 -4.738 1.00 0.00 H new ATOM 0 HB3 LEU A 36 60.238 9.305 -3.935 1.00 0.00 H new ATOM 0 HG LEU A 36 60.823 6.790 -2.348 1.00 0.00 H new ATOM 0 HD11 LEU A 36 63.216 6.975 -3.008 1.00 0.00 H new ATOM 0 HD12 LEU A 36 62.190 6.611 -4.416 1.00 0.00 H new ATOM 0 HD13 LEU A 36 62.795 8.265 -4.159 1.00 0.00 H new ATOM 0 HD21 LEU A 36 62.339 8.358 -1.142 1.00 0.00 H new ATOM 0 HD22 LEU A 36 61.917 9.647 -2.294 1.00 0.00 H new ATOM 0 HD23 LEU A 36 60.677 8.992 -1.198 1.00 0.00 H new ATOM 499 N ASN A 37 57.210 8.998 -4.783 1.00 0.00 N ATOM 500 CA ASN A 37 56.260 10.032 -5.281 1.00 0.00 C ATOM 501 C ASN A 37 55.045 10.097 -4.355 1.00 0.00 C ATOM 502 O ASN A 37 54.534 11.158 -4.062 1.00 0.00 O ATOM 503 CB ASN A 37 55.804 9.673 -6.697 1.00 0.00 C ATOM 504 CG ASN A 37 54.829 10.735 -7.209 1.00 0.00 C ATOM 505 OD1 ASN A 37 55.060 11.916 -7.052 1.00 0.00 O ATOM 506 ND2 ASN A 37 53.740 10.360 -7.824 1.00 0.00 N ATOM 0 H ASN A 37 57.404 8.237 -5.434 1.00 0.00 H new ATOM 0 HA ASN A 37 56.758 11.002 -5.297 1.00 0.00 H new ATOM 0 HB2 ASN A 37 56.666 9.606 -7.361 1.00 0.00 H new ATOM 0 HB3 ASN A 37 55.324 8.694 -6.698 1.00 0.00 H new ATOM 0 HD21 ASN A 37 53.084 11.059 -8.172 1.00 0.00 H new ATOM 0 HD22 ASN A 37 53.545 9.368 -7.956 1.00 0.00 H new ATOM 513 N GLU A 38 54.569 8.974 -3.897 1.00 0.00 N ATOM 514 CA GLU A 38 53.381 8.989 -3.002 1.00 0.00 C ATOM 515 C GLU A 38 53.797 9.421 -1.591 1.00 0.00 C ATOM 516 O GLU A 38 52.966 9.639 -0.732 1.00 0.00 O ATOM 517 CB GLU A 38 52.761 7.593 -2.957 1.00 0.00 C ATOM 518 CG GLU A 38 52.233 7.233 -4.350 1.00 0.00 C ATOM 519 CD GLU A 38 51.020 8.107 -4.686 1.00 0.00 C ATOM 520 OE1 GLU A 38 50.042 8.037 -3.961 1.00 0.00 O ATOM 521 OE2 GLU A 38 51.088 8.827 -5.670 1.00 0.00 O ATOM 0 H GLU A 38 54.950 8.050 -4.103 1.00 0.00 H new ATOM 0 HA GLU A 38 52.647 9.698 -3.386 1.00 0.00 H new ATOM 0 HB2 GLU A 38 53.503 6.862 -2.636 1.00 0.00 H new ATOM 0 HB3 GLU A 38 51.950 7.565 -2.229 1.00 0.00 H new ATOM 0 HG2 GLU A 38 53.016 7.379 -5.095 1.00 0.00 H new ATOM 0 HG3 GLU A 38 51.954 6.180 -4.383 1.00 0.00 H new ATOM 528 N GLY A 39 55.074 9.567 -1.351 1.00 0.00 N ATOM 529 CA GLY A 39 55.536 10.009 -0.001 1.00 0.00 C ATOM 530 C GLY A 39 55.318 8.901 1.034 1.00 0.00 C ATOM 531 O GLY A 39 55.077 9.170 2.194 1.00 0.00 O ATOM 0 H GLY A 39 55.816 9.400 -2.030 1.00 0.00 H new ATOM 0 HA2 GLY A 39 56.593 10.274 -0.041 1.00 0.00 H new ATOM 0 HA3 GLY A 39 54.994 10.906 0.299 1.00 0.00 H new ATOM 535 N LYS A 40 55.424 7.659 0.635 1.00 0.00 N ATOM 536 CA LYS A 40 55.249 6.532 1.598 1.00 0.00 C ATOM 537 C LYS A 40 56.635 6.014 1.930 1.00 0.00 C ATOM 538 O LYS A 40 56.832 5.200 2.810 1.00 0.00 O ATOM 539 CB LYS A 40 54.423 5.427 0.933 1.00 0.00 C ATOM 540 CG LYS A 40 54.038 4.362 1.963 1.00 0.00 C ATOM 541 CD LYS A 40 53.200 3.287 1.277 1.00 0.00 C ATOM 542 CE LYS A 40 52.809 2.215 2.293 1.00 0.00 C ATOM 543 NZ LYS A 40 51.871 1.254 1.649 1.00 0.00 N ATOM 0 H LYS A 40 55.626 7.376 -0.324 1.00 0.00 H new ATOM 0 HA LYS A 40 54.732 6.856 2.502 1.00 0.00 H new ATOM 0 HB2 LYS A 40 53.525 5.853 0.487 1.00 0.00 H new ATOM 0 HB3 LYS A 40 54.995 4.972 0.125 1.00 0.00 H new ATOM 0 HG2 LYS A 40 54.933 3.920 2.400 1.00 0.00 H new ATOM 0 HG3 LYS A 40 53.475 4.814 2.780 1.00 0.00 H new ATOM 0 HD2 LYS A 40 52.306 3.732 0.841 1.00 0.00 H new ATOM 0 HD3 LYS A 40 53.764 2.839 0.459 1.00 0.00 H new ATOM 0 HE2 LYS A 40 53.697 1.693 2.649 1.00 0.00 H new ATOM 0 HE3 LYS A 40 52.339 2.674 3.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 51.600 0.521 2.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 51.021 1.760 1.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 52.336 0.809 0.832 1.00 0.00 H new ATOM 557 N VAL A 41 57.600 6.491 1.197 1.00 0.00 N ATOM 558 CA VAL A 41 59.005 6.062 1.392 1.00 0.00 C ATOM 559 C VAL A 41 59.900 7.311 1.392 1.00 0.00 C ATOM 560 O VAL A 41 59.541 8.341 0.856 1.00 0.00 O ATOM 561 CB VAL A 41 59.399 5.143 0.225 1.00 0.00 C ATOM 562 CG1 VAL A 41 60.689 4.402 0.545 1.00 0.00 C ATOM 563 CG2 VAL A 41 58.296 4.105 -0.043 1.00 0.00 C ATOM 0 H VAL A 41 57.467 7.177 0.454 1.00 0.00 H new ATOM 0 HA VAL A 41 59.121 5.528 2.335 1.00 0.00 H new ATOM 0 HB VAL A 41 59.538 5.768 -0.657 1.00 0.00 H new ATOM 0 HG11 VAL A 41 60.954 3.755 -0.291 1.00 0.00 H new ATOM 0 HG12 VAL A 41 61.490 5.122 0.715 1.00 0.00 H new ATOM 0 HG13 VAL A 41 60.549 3.797 1.441 1.00 0.00 H new ATOM 0 HG21 VAL A 41 58.594 3.464 -0.873 1.00 0.00 H new ATOM 0 HG22 VAL A 41 58.144 3.497 0.849 1.00 0.00 H new ATOM 0 HG23 VAL A 41 57.368 4.617 -0.295 1.00 0.00 H new ATOM 573 N ARG A 42 61.068 7.212 1.969 1.00 0.00 N ATOM 574 CA ARG A 42 62.021 8.371 1.996 1.00 0.00 C ATOM 575 C ARG A 42 63.282 7.979 1.231 1.00 0.00 C ATOM 576 O ARG A 42 64.136 8.794 0.943 1.00 0.00 O ATOM 577 CB ARG A 42 62.403 8.695 3.441 1.00 0.00 C ATOM 578 CG ARG A 42 61.190 9.253 4.184 1.00 0.00 C ATOM 579 CD ARG A 42 61.582 9.586 5.623 1.00 0.00 C ATOM 580 NE ARG A 42 60.401 10.132 6.346 1.00 0.00 N ATOM 581 CZ ARG A 42 60.555 10.698 7.511 1.00 0.00 C ATOM 582 NH1 ARG A 42 61.747 10.794 8.035 1.00 0.00 N ATOM 583 NH2 ARG A 42 59.520 11.170 8.149 1.00 0.00 N ATOM 0 H ARG A 42 61.410 6.369 2.430 1.00 0.00 H new ATOM 0 HA ARG A 42 61.550 9.243 1.542 1.00 0.00 H new ATOM 0 HB2 ARG A 42 62.766 7.797 3.941 1.00 0.00 H new ATOM 0 HB3 ARG A 42 63.217 9.420 3.458 1.00 0.00 H new ATOM 0 HG2 ARG A 42 60.821 10.147 3.680 1.00 0.00 H new ATOM 0 HG3 ARG A 42 60.379 8.525 4.176 1.00 0.00 H new ATOM 0 HD2 ARG A 42 61.949 8.692 6.127 1.00 0.00 H new ATOM 0 HD3 ARG A 42 62.394 10.313 5.631 1.00 0.00 H new ATOM 0 HE ARG A 42 59.472 10.064 5.931 1.00 0.00 H new ATOM 0 HH11 ARG A 42 62.556 10.427 7.533 1.00 0.00 H new ATOM 0 HH12 ARG A 42 61.870 11.236 8.946 1.00 0.00 H new ATOM 0 HH21 ARG A 42 58.590 11.097 7.737 1.00 0.00 H new ATOM 0 HH22 ARG A 42 59.641 11.613 9.060 1.00 0.00 H new ATOM 597 N GLY A 43 63.402 6.722 0.916 1.00 0.00 N ATOM 598 CA GLY A 43 64.604 6.222 0.183 1.00 0.00 C ATOM 599 C GLY A 43 64.898 4.807 0.675 1.00 0.00 C ATOM 600 O GLY A 43 64.027 4.139 1.194 1.00 0.00 O ATOM 0 H GLY A 43 62.710 6.006 1.137 1.00 0.00 H new ATOM 0 HA2 GLY A 43 64.423 6.222 -0.892 1.00 0.00 H new ATOM 0 HA3 GLY A 43 65.459 6.874 0.363 1.00 0.00 H new ATOM 604 N VAL A 44 66.115 4.345 0.532 1.00 0.00 N ATOM 605 CA VAL A 44 66.474 2.973 1.008 1.00 0.00 C ATOM 606 C VAL A 44 67.582 3.096 2.055 1.00 0.00 C ATOM 607 O VAL A 44 68.595 3.724 1.822 1.00 0.00 O ATOM 608 CB VAL A 44 66.972 2.144 -0.178 1.00 0.00 C ATOM 609 CG1 VAL A 44 67.511 0.802 0.326 1.00 0.00 C ATOM 610 CG2 VAL A 44 65.809 1.893 -1.146 1.00 0.00 C ATOM 0 H VAL A 44 66.881 4.863 0.103 1.00 0.00 H new ATOM 0 HA VAL A 44 65.604 2.484 1.447 1.00 0.00 H new ATOM 0 HB VAL A 44 67.767 2.685 -0.692 1.00 0.00 H new ATOM 0 HG11 VAL A 44 67.866 0.212 -0.519 1.00 0.00 H new ATOM 0 HG12 VAL A 44 68.335 0.977 1.017 1.00 0.00 H new ATOM 0 HG13 VAL A 44 66.716 0.260 0.839 1.00 0.00 H new ATOM 0 HG21 VAL A 44 66.161 1.303 -1.992 1.00 0.00 H new ATOM 0 HG22 VAL A 44 65.016 1.351 -0.630 1.00 0.00 H new ATOM 0 HG23 VAL A 44 65.422 2.847 -1.505 1.00 0.00 H new ATOM 620 N SER A 45 67.409 2.495 3.202 1.00 0.00 N ATOM 621 CA SER A 45 68.465 2.575 4.250 1.00 0.00 C ATOM 622 C SER A 45 69.479 1.461 3.997 1.00 0.00 C ATOM 623 O SER A 45 69.116 0.323 3.773 1.00 0.00 O ATOM 624 CB SER A 45 67.831 2.411 5.640 1.00 0.00 C ATOM 625 OG SER A 45 67.405 3.682 6.112 1.00 0.00 O ATOM 0 H SER A 45 66.583 1.953 3.457 1.00 0.00 H new ATOM 0 HA SER A 45 68.963 3.544 4.211 1.00 0.00 H new ATOM 0 HB2 SER A 45 66.984 1.726 5.588 1.00 0.00 H new ATOM 0 HB3 SER A 45 68.551 1.975 6.332 1.00 0.00 H new ATOM 0 HG SER A 45 66.998 3.582 6.998 1.00 0.00 H new ATOM 631 N VAL A 46 70.746 1.782 4.029 1.00 0.00 N ATOM 632 CA VAL A 46 71.796 0.748 3.790 1.00 0.00 C ATOM 633 C VAL A 46 72.874 0.851 4.861 1.00 0.00 C ATOM 634 O VAL A 46 73.382 1.917 5.149 1.00 0.00 O ATOM 635 CB VAL A 46 72.426 0.963 2.413 1.00 0.00 C ATOM 636 CG1 VAL A 46 73.176 2.297 2.385 1.00 0.00 C ATOM 637 CG2 VAL A 46 73.402 -0.179 2.121 1.00 0.00 C ATOM 0 H VAL A 46 71.100 2.721 4.211 1.00 0.00 H new ATOM 0 HA VAL A 46 71.339 -0.241 3.831 1.00 0.00 H new ATOM 0 HB VAL A 46 71.642 0.980 1.656 1.00 0.00 H new ATOM 0 HG11 VAL A 46 73.622 2.443 1.401 1.00 0.00 H new ATOM 0 HG12 VAL A 46 72.480 3.110 2.592 1.00 0.00 H new ATOM 0 HG13 VAL A 46 73.961 2.289 3.142 1.00 0.00 H new ATOM 0 HG21 VAL A 46 73.854 -0.030 1.140 1.00 0.00 H new ATOM 0 HG22 VAL A 46 74.183 -0.194 2.881 1.00 0.00 H new ATOM 0 HG23 VAL A 46 72.866 -1.128 2.133 1.00 0.00 H new ATOM 647 N SER A 47 73.243 -0.262 5.433 1.00 0.00 N ATOM 648 CA SER A 47 74.316 -0.278 6.469 1.00 0.00 C ATOM 649 C SER A 47 75.334 -1.338 6.058 1.00 0.00 C ATOM 650 O SER A 47 74.971 -2.378 5.546 1.00 0.00 O ATOM 651 CB SER A 47 73.719 -0.609 7.838 1.00 0.00 C ATOM 652 OG SER A 47 72.434 -0.010 7.947 1.00 0.00 O ATOM 0 H SER A 47 72.840 -1.175 5.223 1.00 0.00 H new ATOM 0 HA SER A 47 74.796 0.698 6.544 1.00 0.00 H new ATOM 0 HB2 SER A 47 73.641 -1.689 7.962 1.00 0.00 H new ATOM 0 HB3 SER A 47 74.372 -0.243 8.630 1.00 0.00 H new ATOM 0 HG SER A 47 72.048 -0.221 8.822 1.00 0.00 H new ATOM 658 N GLY A 48 76.600 -1.080 6.248 1.00 0.00 N ATOM 659 CA GLY A 48 77.647 -2.078 5.832 1.00 0.00 C ATOM 660 C GLY A 48 78.643 -2.326 6.964 1.00 0.00 C ATOM 661 O GLY A 48 78.924 -1.457 7.766 1.00 0.00 O ATOM 0 H GLY A 48 76.961 -0.225 6.672 1.00 0.00 H new ATOM 0 HA2 GLY A 48 77.169 -3.016 5.550 1.00 0.00 H new ATOM 0 HA3 GLY A 48 78.175 -1.712 4.951 1.00 0.00 H new ATOM 665 N VAL A 49 79.187 -3.518 7.017 1.00 0.00 N ATOM 666 CA VAL A 49 80.187 -3.874 8.072 1.00 0.00 C ATOM 667 C VAL A 49 81.460 -4.388 7.393 1.00 0.00 C ATOM 668 O VAL A 49 81.415 -5.258 6.548 1.00 0.00 O ATOM 669 CB VAL A 49 79.602 -4.973 8.981 1.00 0.00 C ATOM 670 CG1 VAL A 49 80.714 -5.602 9.839 1.00 0.00 C ATOM 671 CG2 VAL A 49 78.543 -4.363 9.913 1.00 0.00 C ATOM 0 H VAL A 49 78.976 -4.271 6.362 1.00 0.00 H new ATOM 0 HA VAL A 49 80.421 -2.997 8.676 1.00 0.00 H new ATOM 0 HB VAL A 49 79.150 -5.740 8.353 1.00 0.00 H new ATOM 0 HG11 VAL A 49 80.288 -6.377 10.476 1.00 0.00 H new ATOM 0 HG12 VAL A 49 81.470 -6.042 9.189 1.00 0.00 H new ATOM 0 HG13 VAL A 49 81.173 -4.833 10.460 1.00 0.00 H new ATOM 0 HG21 VAL A 49 78.131 -5.142 10.555 1.00 0.00 H new ATOM 0 HG22 VAL A 49 79.003 -3.590 10.530 1.00 0.00 H new ATOM 0 HG23 VAL A 49 77.743 -3.923 9.317 1.00 0.00 H new ATOM 681 N PHE A 50 82.595 -3.862 7.771 1.00 0.00 N ATOM 682 CA PHE A 50 83.888 -4.312 7.176 1.00 0.00 C ATOM 683 C PHE A 50 84.643 -5.188 8.188 1.00 0.00 C ATOM 684 O PHE A 50 84.961 -4.764 9.283 1.00 0.00 O ATOM 685 CB PHE A 50 84.741 -3.080 6.843 1.00 0.00 C ATOM 686 CG PHE A 50 84.266 -2.445 5.556 1.00 0.00 C ATOM 687 CD1 PHE A 50 84.811 -2.868 4.340 1.00 0.00 C ATOM 688 CD2 PHE A 50 83.297 -1.431 5.574 1.00 0.00 C ATOM 689 CE1 PHE A 50 84.391 -2.282 3.143 1.00 0.00 C ATOM 690 CE2 PHE A 50 82.880 -0.845 4.377 1.00 0.00 C ATOM 691 CZ PHE A 50 83.427 -1.271 3.159 1.00 0.00 C ATOM 0 H PHE A 50 82.682 -3.130 8.476 1.00 0.00 H new ATOM 0 HA PHE A 50 83.693 -4.887 6.271 1.00 0.00 H new ATOM 0 HB2 PHE A 50 84.681 -2.357 7.657 1.00 0.00 H new ATOM 0 HB3 PHE A 50 85.788 -3.369 6.749 1.00 0.00 H new ATOM 0 HD1 PHE A 50 85.557 -3.648 4.326 1.00 0.00 H new ATOM 0 HD2 PHE A 50 82.874 -1.104 6.512 1.00 0.00 H new ATOM 0 HE1 PHE A 50 84.812 -2.611 2.204 1.00 0.00 H new ATOM 0 HE2 PHE A 50 82.135 -0.063 4.390 1.00 0.00 H new ATOM 0 HZ PHE A 50 83.104 -0.818 2.233 1.00 0.00 H new ATOM 701 N TYR A 51 84.949 -6.406 7.816 1.00 0.00 N ATOM 702 CA TYR A 51 85.703 -7.318 8.734 1.00 0.00 C ATOM 703 C TYR A 51 87.191 -7.237 8.382 1.00 0.00 C ATOM 704 O TYR A 51 87.585 -7.514 7.265 1.00 0.00 O ATOM 705 CB TYR A 51 85.224 -8.763 8.541 1.00 0.00 C ATOM 706 CG TYR A 51 83.891 -8.979 9.225 1.00 0.00 C ATOM 707 CD1 TYR A 51 82.709 -8.527 8.625 1.00 0.00 C ATOM 708 CD2 TYR A 51 83.837 -9.652 10.451 1.00 0.00 C ATOM 709 CE1 TYR A 51 81.477 -8.746 9.252 1.00 0.00 C ATOM 710 CE2 TYR A 51 82.603 -9.875 11.076 1.00 0.00 C ATOM 711 CZ TYR A 51 81.423 -9.421 10.476 1.00 0.00 C ATOM 712 OH TYR A 51 80.207 -9.645 11.088 1.00 0.00 O ATOM 0 H TYR A 51 84.708 -6.811 6.911 1.00 0.00 H new ATOM 0 HA TYR A 51 85.536 -7.019 9.769 1.00 0.00 H new ATOM 0 HB2 TYR A 51 85.133 -8.982 7.477 1.00 0.00 H new ATOM 0 HB3 TYR A 51 85.963 -9.454 8.947 1.00 0.00 H new ATOM 0 HD1 TYR A 51 82.748 -8.009 7.678 1.00 0.00 H new ATOM 0 HD2 TYR A 51 84.748 -10.000 10.916 1.00 0.00 H new ATOM 0 HE1 TYR A 51 80.567 -8.393 8.790 1.00 0.00 H new ATOM 0 HE2 TYR A 51 82.562 -10.397 12.021 1.00 0.00 H new ATOM 0 HH TYR A 51 80.348 -10.127 11.929 1.00 0.00 H new ATOM 722 N TYR A 52 88.023 -6.865 9.323 1.00 0.00 N ATOM 723 CA TYR A 52 89.491 -6.769 9.048 1.00 0.00 C ATOM 724 C TYR A 52 90.207 -7.939 9.719 1.00 0.00 C ATOM 725 O TYR A 52 90.035 -8.194 10.894 1.00 0.00 O ATOM 726 CB TYR A 52 90.034 -5.453 9.617 1.00 0.00 C ATOM 727 CG TYR A 52 89.331 -4.280 8.969 1.00 0.00 C ATOM 728 CD1 TYR A 52 89.787 -3.768 7.747 1.00 0.00 C ATOM 729 CD2 TYR A 52 88.222 -3.702 9.595 1.00 0.00 C ATOM 730 CE1 TYR A 52 89.133 -2.681 7.153 1.00 0.00 C ATOM 731 CE2 TYR A 52 87.569 -2.616 9.001 1.00 0.00 C ATOM 732 CZ TYR A 52 88.024 -2.105 7.781 1.00 0.00 C ATOM 733 OH TYR A 52 87.378 -1.033 7.197 1.00 0.00 O ATOM 0 H TYR A 52 87.747 -6.622 10.275 1.00 0.00 H new ATOM 0 HA TYR A 52 89.662 -6.799 7.972 1.00 0.00 H new ATOM 0 HB2 TYR A 52 89.886 -5.425 10.697 1.00 0.00 H new ATOM 0 HB3 TYR A 52 91.108 -5.387 9.441 1.00 0.00 H new ATOM 0 HD1 TYR A 52 90.644 -4.212 7.262 1.00 0.00 H new ATOM 0 HD2 TYR A 52 87.869 -4.094 10.537 1.00 0.00 H new ATOM 0 HE1 TYR A 52 89.485 -2.288 6.211 1.00 0.00 H new ATOM 0 HE2 TYR A 52 86.712 -2.172 9.486 1.00 0.00 H new ATOM 0 HH TYR A 52 86.628 -0.755 7.763 1.00 0.00 H new ATOM 743 N ASN A 53 91.014 -8.655 8.986 1.00 0.00 N ATOM 744 CA ASN A 53 91.742 -9.805 9.591 1.00 0.00 C ATOM 745 C ASN A 53 92.400 -9.353 10.899 1.00 0.00 C ATOM 746 O ASN A 53 92.787 -10.157 11.723 1.00 0.00 O ATOM 747 CB ASN A 53 92.819 -10.308 8.622 1.00 0.00 C ATOM 748 CG ASN A 53 93.252 -11.721 9.031 1.00 0.00 C ATOM 749 OD1 ASN A 53 92.541 -12.406 9.740 1.00 0.00 O ATOM 750 ND2 ASN A 53 94.396 -12.190 8.613 1.00 0.00 N ATOM 0 H ASN A 53 91.200 -8.494 7.996 1.00 0.00 H new ATOM 0 HA ASN A 53 91.039 -10.613 9.793 1.00 0.00 H new ATOM 0 HB2 ASN A 53 92.432 -10.315 7.603 1.00 0.00 H new ATOM 0 HB3 ASN A 53 93.677 -9.635 8.633 1.00 0.00 H new ATOM 0 HD21 ASN A 53 94.691 -13.129 8.881 1.00 0.00 H new ATOM 0 HD22 ASN A 53 94.995 -11.618 8.018 1.00 0.00 H new ATOM 757 N ASP A 54 92.530 -8.068 11.089 1.00 0.00 N ATOM 758 CA ASP A 54 93.162 -7.554 12.336 1.00 0.00 C ATOM 759 C ASP A 54 92.245 -7.856 13.524 1.00 0.00 C ATOM 760 O ASP A 54 92.533 -7.503 14.651 1.00 0.00 O ATOM 761 CB ASP A 54 93.376 -6.039 12.212 1.00 0.00 C ATOM 762 CG ASP A 54 94.584 -5.759 11.314 1.00 0.00 C ATOM 763 OD1 ASP A 54 95.503 -6.562 11.316 1.00 0.00 O ATOM 764 OD2 ASP A 54 94.573 -4.740 10.645 1.00 0.00 O ATOM 0 H ASP A 54 92.224 -7.350 10.432 1.00 0.00 H new ATOM 0 HA ASP A 54 94.126 -8.039 12.491 1.00 0.00 H new ATOM 0 HB2 ASP A 54 92.485 -5.569 11.796 1.00 0.00 H new ATOM 0 HB3 ASP A 54 93.535 -5.603 13.198 1.00 0.00 H new ATOM 769 N GLY A 55 91.155 -8.536 13.279 1.00 0.00 N ATOM 770 CA GLY A 55 90.224 -8.897 14.387 1.00 0.00 C ATOM 771 C GLY A 55 89.368 -7.696 14.792 1.00 0.00 C ATOM 772 O GLY A 55 88.817 -7.666 15.876 1.00 0.00 O ATOM 0 H GLY A 55 90.869 -8.858 12.354 1.00 0.00 H new ATOM 0 HA2 GLY A 55 89.580 -9.719 14.073 1.00 0.00 H new ATOM 0 HA3 GLY A 55 90.794 -9.249 15.247 1.00 0.00 H new ATOM 776 N THR A 56 89.247 -6.708 13.936 1.00 0.00 N ATOM 777 CA THR A 56 88.419 -5.500 14.271 1.00 0.00 C ATOM 778 C THR A 56 87.258 -5.376 13.289 1.00 0.00 C ATOM 779 O THR A 56 87.366 -5.737 12.142 1.00 0.00 O ATOM 780 CB THR A 56 89.290 -4.238 14.194 1.00 0.00 C ATOM 781 OG1 THR A 56 90.140 -4.310 13.055 1.00 0.00 O ATOM 782 CG2 THR A 56 90.135 -4.122 15.461 1.00 0.00 C ATOM 0 H THR A 56 89.687 -6.685 13.016 1.00 0.00 H new ATOM 0 HA THR A 56 88.025 -5.609 15.281 1.00 0.00 H new ATOM 0 HB THR A 56 88.648 -3.361 14.107 1.00 0.00 H new ATOM 0 HG1 THR A 56 90.693 -3.502 13.008 1.00 0.00 H new ATOM 0 HG21 THR A 56 90.753 -3.226 15.405 1.00 0.00 H new ATOM 0 HG22 THR A 56 89.480 -4.058 16.330 1.00 0.00 H new ATOM 0 HG23 THR A 56 90.775 -4.999 15.553 1.00 0.00 H new ATOM 790 N THR A 57 86.143 -4.861 13.747 1.00 0.00 N ATOM 791 CA THR A 57 84.950 -4.697 12.853 1.00 0.00 C ATOM 792 C THR A 57 84.406 -3.274 12.982 1.00 0.00 C ATOM 793 O THR A 57 84.133 -2.797 14.065 1.00 0.00 O ATOM 794 CB THR A 57 83.857 -5.689 13.267 1.00 0.00 C ATOM 795 OG1 THR A 57 83.644 -5.593 14.670 1.00 0.00 O ATOM 796 CG2 THR A 57 84.294 -7.110 12.912 1.00 0.00 C ATOM 0 H THR A 57 86.006 -4.545 14.707 1.00 0.00 H new ATOM 0 HA THR A 57 85.247 -4.886 11.821 1.00 0.00 H new ATOM 0 HB THR A 57 82.932 -5.455 12.740 1.00 0.00 H new ATOM 0 HG1 THR A 57 83.684 -4.653 14.943 1.00 0.00 H new ATOM 0 HG21 THR A 57 83.516 -7.814 13.207 1.00 0.00 H new ATOM 0 HG22 THR A 57 84.460 -7.182 11.837 1.00 0.00 H new ATOM 0 HG23 THR A 57 85.218 -7.349 13.439 1.00 0.00 H new ATOM 804 N SER A 58 84.231 -2.605 11.873 1.00 0.00 N ATOM 805 CA SER A 58 83.686 -1.210 11.881 1.00 0.00 C ATOM 806 C SER A 58 82.373 -1.213 11.103 1.00 0.00 C ATOM 807 O SER A 58 82.161 -2.049 10.257 1.00 0.00 O ATOM 808 CB SER A 58 84.680 -0.269 11.198 1.00 0.00 C ATOM 809 OG SER A 58 84.211 1.069 11.306 1.00 0.00 O ATOM 0 H SER A 58 84.446 -2.970 10.945 1.00 0.00 H new ATOM 0 HA SER A 58 83.523 -0.871 12.904 1.00 0.00 H new ATOM 0 HB2 SER A 58 85.662 -0.361 11.661 1.00 0.00 H new ATOM 0 HB3 SER A 58 84.795 -0.542 10.149 1.00 0.00 H new ATOM 0 HG SER A 58 84.205 1.486 10.419 1.00 0.00 H new ATOM 815 N ASN A 59 81.481 -0.298 11.378 1.00 0.00 N ATOM 816 CA ASN A 59 80.184 -0.278 10.631 1.00 0.00 C ATOM 817 C ASN A 59 79.765 1.155 10.348 1.00 0.00 C ATOM 818 O ASN A 59 79.764 2.002 11.219 1.00 0.00 O ATOM 819 CB ASN A 59 79.093 -0.941 11.460 1.00 0.00 C ATOM 820 CG ASN A 59 77.842 -1.129 10.600 1.00 0.00 C ATOM 821 OD1 ASN A 59 77.702 -0.507 9.565 1.00 0.00 O ATOM 822 ND2 ASN A 59 76.916 -1.963 10.990 1.00 0.00 N ATOM 0 H ASN A 59 81.591 0.432 12.082 1.00 0.00 H new ATOM 0 HA ASN A 59 80.322 -0.818 9.694 1.00 0.00 H new ATOM 0 HB2 ASN A 59 79.440 -1.905 11.832 1.00 0.00 H new ATOM 0 HB3 ASN A 59 78.860 -0.328 12.331 1.00 0.00 H new ATOM 0 HD21 ASN A 59 76.076 -2.092 10.426 1.00 0.00 H new ATOM 0 HD22 ASN A 59 77.033 -2.485 11.858 1.00 0.00 H new ATOM 829 N PHE A 60 79.375 1.410 9.132 1.00 0.00 N ATOM 830 CA PHE A 60 78.903 2.774 8.741 1.00 0.00 C ATOM 831 C PHE A 60 77.440 2.659 8.338 1.00 0.00 C ATOM 832 O PHE A 60 77.098 1.886 7.467 1.00 0.00 O ATOM 833 CB PHE A 60 79.704 3.289 7.546 1.00 0.00 C ATOM 834 CG PHE A 60 81.172 3.328 7.897 1.00 0.00 C ATOM 835 CD1 PHE A 60 81.627 4.180 8.910 1.00 0.00 C ATOM 836 CD2 PHE A 60 82.079 2.511 7.209 1.00 0.00 C ATOM 837 CE1 PHE A 60 82.989 4.217 9.233 1.00 0.00 C ATOM 838 CE2 PHE A 60 83.438 2.548 7.531 1.00 0.00 C ATOM 839 CZ PHE A 60 83.894 3.400 8.544 1.00 0.00 C ATOM 0 H PHE A 60 79.362 0.723 8.378 1.00 0.00 H new ATOM 0 HA PHE A 60 79.032 3.465 9.574 1.00 0.00 H new ATOM 0 HB2 PHE A 60 79.544 2.643 6.683 1.00 0.00 H new ATOM 0 HB3 PHE A 60 79.360 4.285 7.267 1.00 0.00 H new ATOM 0 HD1 PHE A 60 80.928 4.808 9.442 1.00 0.00 H new ATOM 0 HD2 PHE A 60 81.727 1.852 6.429 1.00 0.00 H new ATOM 0 HE1 PHE A 60 83.341 4.875 10.013 1.00 0.00 H new ATOM 0 HE2 PHE A 60 84.137 1.920 6.999 1.00 0.00 H new ATOM 0 HZ PHE A 60 84.944 3.427 8.794 1.00 0.00 H new ATOM 849 N LYS A 61 76.577 3.418 8.950 1.00 0.00 N ATOM 850 CA LYS A 61 75.135 3.362 8.602 1.00 0.00 C ATOM 851 C LYS A 61 74.736 4.696 7.994 1.00 0.00 C ATOM 852 O LYS A 61 75.206 5.742 8.394 1.00 0.00 O ATOM 853 CB LYS A 61 74.313 3.104 9.858 1.00 0.00 C ATOM 854 CG LYS A 61 72.844 2.931 9.472 1.00 0.00 C ATOM 855 CD LYS A 61 72.055 2.429 10.680 1.00 0.00 C ATOM 856 CE LYS A 61 70.587 2.261 10.289 1.00 0.00 C ATOM 857 NZ LYS A 61 69.977 3.603 10.072 1.00 0.00 N ATOM 0 H LYS A 61 76.814 4.083 9.686 1.00 0.00 H new ATOM 0 HA LYS A 61 74.952 2.556 7.891 1.00 0.00 H new ATOM 0 HB2 LYS A 61 74.675 2.211 10.367 1.00 0.00 H new ATOM 0 HB3 LYS A 61 74.423 3.934 10.555 1.00 0.00 H new ATOM 0 HG2 LYS A 61 72.434 3.880 9.125 1.00 0.00 H new ATOM 0 HG3 LYS A 61 72.755 2.224 8.647 1.00 0.00 H new ATOM 0 HD2 LYS A 61 72.462 1.479 11.026 1.00 0.00 H new ATOM 0 HD3 LYS A 61 72.145 3.134 11.506 1.00 0.00 H new ATOM 0 HE2 LYS A 61 70.507 1.662 9.382 1.00 0.00 H new ATOM 0 HE3 LYS A 61 70.049 1.727 11.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 68.941 3.523 10.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 70.301 4.256 10.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 70.263 3.968 9.141 1.00 0.00 H new ATOM 871 N GLY A 62 73.879 4.665 7.033 1.00 0.00 N ATOM 872 CA GLY A 62 73.443 5.936 6.385 1.00 0.00 C ATOM 873 C GLY A 62 72.244 5.677 5.475 1.00 0.00 C ATOM 874 O GLY A 62 71.857 4.549 5.250 1.00 0.00 O ATOM 0 H GLY A 62 73.453 3.817 6.658 1.00 0.00 H new ATOM 0 HA2 GLY A 62 73.179 6.670 7.147 1.00 0.00 H new ATOM 0 HA3 GLY A 62 74.264 6.358 5.806 1.00 0.00 H new ATOM 878 N VAL A 63 71.652 6.724 4.953 1.00 0.00 N ATOM 879 CA VAL A 63 70.467 6.569 4.051 1.00 0.00 C ATOM 880 C VAL A 63 70.838 7.052 2.647 1.00 0.00 C ATOM 881 O VAL A 63 71.344 8.144 2.474 1.00 0.00 O ATOM 882 CB VAL A 63 69.315 7.422 4.583 1.00 0.00 C ATOM 883 CG1 VAL A 63 68.082 7.217 3.700 1.00 0.00 C ATOM 884 CG2 VAL A 63 68.996 7.010 6.023 1.00 0.00 C ATOM 0 H VAL A 63 71.942 7.688 5.115 1.00 0.00 H new ATOM 0 HA VAL A 63 70.166 5.522 4.016 1.00 0.00 H new ATOM 0 HB VAL A 63 69.600 8.474 4.566 1.00 0.00 H new ATOM 0 HG11 VAL A 63 67.259 7.824 4.077 1.00 0.00 H new ATOM 0 HG12 VAL A 63 68.313 7.515 2.677 1.00 0.00 H new ATOM 0 HG13 VAL A 63 67.794 6.166 3.716 1.00 0.00 H new ATOM 0 HG21 VAL A 63 68.175 7.618 6.402 1.00 0.00 H new ATOM 0 HG22 VAL A 63 68.709 5.959 6.046 1.00 0.00 H new ATOM 0 HG23 VAL A 63 69.877 7.159 6.648 1.00 0.00 H new ATOM 894 N VAL A 64 70.592 6.252 1.642 1.00 0.00 N ATOM 895 CA VAL A 64 70.931 6.667 0.245 1.00 0.00 C ATOM 896 C VAL A 64 69.678 7.211 -0.445 1.00 0.00 C ATOM 897 O VAL A 64 68.669 6.539 -0.546 1.00 0.00 O ATOM 898 CB VAL A 64 71.457 5.457 -0.534 1.00 0.00 C ATOM 899 CG1 VAL A 64 71.638 5.829 -2.007 1.00 0.00 C ATOM 900 CG2 VAL A 64 72.805 5.027 0.047 1.00 0.00 C ATOM 0 H VAL A 64 70.170 5.327 1.727 1.00 0.00 H new ATOM 0 HA VAL A 64 71.696 7.443 0.273 1.00 0.00 H new ATOM 0 HB VAL A 64 70.742 4.638 -0.453 1.00 0.00 H new ATOM 0 HG11 VAL A 64 72.012 4.966 -2.557 1.00 0.00 H new ATOM 0 HG12 VAL A 64 70.680 6.138 -2.425 1.00 0.00 H new ATOM 0 HG13 VAL A 64 72.351 6.649 -2.090 1.00 0.00 H new ATOM 0 HG21 VAL A 64 73.181 4.166 -0.506 1.00 0.00 H new ATOM 0 HG22 VAL A 64 73.515 5.850 -0.035 1.00 0.00 H new ATOM 0 HG23 VAL A 64 72.680 4.758 1.096 1.00 0.00 H new ATOM 910 N THR A 65 69.747 8.430 -0.921 1.00 0.00 N ATOM 911 CA THR A 65 68.584 9.058 -1.622 1.00 0.00 C ATOM 912 C THR A 65 69.035 9.447 -3.036 1.00 0.00 C ATOM 913 O THR A 65 70.199 9.715 -3.255 1.00 0.00 O ATOM 914 CB THR A 65 68.152 10.309 -0.845 1.00 0.00 C ATOM 915 OG1 THR A 65 69.086 11.354 -1.076 1.00 0.00 O ATOM 916 CG2 THR A 65 68.099 9.993 0.656 1.00 0.00 C ATOM 0 H THR A 65 70.573 9.025 -0.852 1.00 0.00 H new ATOM 0 HA THR A 65 67.743 8.367 -1.679 1.00 0.00 H new ATOM 0 HB THR A 65 67.164 10.621 -1.183 1.00 0.00 H new ATOM 0 HG1 THR A 65 68.677 12.215 -0.848 1.00 0.00 H new ATOM 0 HG21 THR A 65 67.792 10.883 1.205 1.00 0.00 H new ATOM 0 HG22 THR A 65 67.382 9.192 0.834 1.00 0.00 H new ATOM 0 HG23 THR A 65 69.086 9.679 0.997 1.00 0.00 H new ATOM 924 N PRO A 66 68.141 9.466 -3.997 1.00 0.00 N ATOM 925 CA PRO A 66 68.487 9.815 -5.400 1.00 0.00 C ATOM 926 C PRO A 66 69.586 10.878 -5.504 1.00 0.00 C ATOM 927 O PRO A 66 70.378 10.870 -6.425 1.00 0.00 O ATOM 928 CB PRO A 66 67.166 10.346 -5.953 1.00 0.00 C ATOM 929 CG PRO A 66 66.112 9.552 -5.241 1.00 0.00 C ATOM 930 CD PRO A 66 66.700 9.167 -3.868 1.00 0.00 C ATOM 0 HA PRO A 66 68.890 8.961 -5.944 1.00 0.00 H new ATOM 0 HB2 PRO A 66 67.056 11.413 -5.761 1.00 0.00 H new ATOM 0 HB3 PRO A 66 67.104 10.209 -7.033 1.00 0.00 H new ATOM 0 HG2 PRO A 66 65.201 10.138 -5.121 1.00 0.00 H new ATOM 0 HG3 PRO A 66 65.846 8.662 -5.812 1.00 0.00 H new ATOM 0 HD2 PRO A 66 66.244 9.743 -3.063 1.00 0.00 H new ATOM 0 HD3 PRO A 66 66.530 8.114 -3.642 1.00 0.00 H new ATOM 938 N SER A 67 69.623 11.806 -4.581 1.00 0.00 N ATOM 939 CA SER A 67 70.650 12.893 -4.637 1.00 0.00 C ATOM 940 C SER A 67 71.740 12.701 -3.576 1.00 0.00 C ATOM 941 O SER A 67 72.640 13.511 -3.481 1.00 0.00 O ATOM 942 CB SER A 67 69.954 14.225 -4.379 1.00 0.00 C ATOM 943 OG SER A 67 68.983 14.447 -5.393 1.00 0.00 O ATOM 0 H SER A 67 68.984 11.858 -3.788 1.00 0.00 H new ATOM 0 HA SER A 67 71.122 12.869 -5.619 1.00 0.00 H new ATOM 0 HB2 SER A 67 69.478 14.217 -3.398 1.00 0.00 H new ATOM 0 HB3 SER A 67 70.683 15.035 -4.373 1.00 0.00 H new ATOM 0 HG SER A 67 68.531 15.301 -5.232 1.00 0.00 H new ATOM 949 N THR A 68 71.668 11.670 -2.760 1.00 0.00 N ATOM 950 CA THR A 68 72.713 11.485 -1.689 1.00 0.00 C ATOM 951 C THR A 68 73.388 10.099 -1.789 1.00 0.00 C ATOM 952 O THR A 68 72.802 9.105 -1.409 1.00 0.00 O ATOM 953 CB THR A 68 72.024 11.592 -0.320 1.00 0.00 C ATOM 954 OG1 THR A 68 71.089 12.661 -0.345 1.00 0.00 O ATOM 955 CG2 THR A 68 73.069 11.860 0.767 1.00 0.00 C ATOM 0 H THR A 68 70.941 10.955 -2.786 1.00 0.00 H new ATOM 0 HA THR A 68 73.478 12.251 -1.815 1.00 0.00 H new ATOM 0 HB THR A 68 71.509 10.656 -0.103 1.00 0.00 H new ATOM 0 HG1 THR A 68 70.333 12.421 -0.921 1.00 0.00 H new ATOM 0 HG21 THR A 68 72.575 11.935 1.736 1.00 0.00 H new ATOM 0 HG22 THR A 68 73.789 11.042 0.789 1.00 0.00 H new ATOM 0 HG23 THR A 68 73.588 12.794 0.551 1.00 0.00 H new ATOM 963 N PRO A 69 74.627 10.026 -2.242 1.00 0.00 N ATOM 964 CA PRO A 69 75.382 8.746 -2.316 1.00 0.00 C ATOM 965 C PRO A 69 76.212 8.520 -1.040 1.00 0.00 C ATOM 966 O PRO A 69 76.473 9.446 -0.295 1.00 0.00 O ATOM 967 CB PRO A 69 76.289 8.973 -3.519 1.00 0.00 C ATOM 968 CG PRO A 69 76.646 10.428 -3.441 1.00 0.00 C ATOM 969 CD PRO A 69 75.453 11.137 -2.761 1.00 0.00 C ATOM 0 HA PRO A 69 74.743 7.868 -2.407 1.00 0.00 H new ATOM 0 HB2 PRO A 69 77.177 8.342 -3.473 1.00 0.00 H new ATOM 0 HB3 PRO A 69 75.778 8.738 -4.453 1.00 0.00 H new ATOM 0 HG2 PRO A 69 77.561 10.573 -2.867 1.00 0.00 H new ATOM 0 HG3 PRO A 69 76.825 10.837 -4.435 1.00 0.00 H new ATOM 0 HD2 PRO A 69 75.785 11.797 -1.959 1.00 0.00 H new ATOM 0 HD3 PRO A 69 74.897 11.751 -3.469 1.00 0.00 H new ATOM 977 N VAL A 70 76.628 7.303 -0.776 1.00 0.00 N ATOM 978 CA VAL A 70 77.440 7.026 0.459 1.00 0.00 C ATOM 979 C VAL A 70 78.632 6.132 0.107 1.00 0.00 C ATOM 980 O VAL A 70 78.512 5.199 -0.661 1.00 0.00 O ATOM 981 CB VAL A 70 76.564 6.310 1.490 1.00 0.00 C ATOM 982 CG1 VAL A 70 77.414 5.924 2.702 1.00 0.00 C ATOM 983 CG2 VAL A 70 75.433 7.241 1.936 1.00 0.00 C ATOM 0 H VAL A 70 76.442 6.488 -1.361 1.00 0.00 H new ATOM 0 HA VAL A 70 77.803 7.969 0.869 1.00 0.00 H new ATOM 0 HB VAL A 70 76.139 5.411 1.043 1.00 0.00 H new ATOM 0 HG11 VAL A 70 76.790 5.414 3.436 1.00 0.00 H new ATOM 0 HG12 VAL A 70 78.218 5.260 2.386 1.00 0.00 H new ATOM 0 HG13 VAL A 70 77.840 6.822 3.149 1.00 0.00 H new ATOM 0 HG21 VAL A 70 74.810 6.730 2.670 1.00 0.00 H new ATOM 0 HG22 VAL A 70 75.857 8.140 2.383 1.00 0.00 H new ATOM 0 HG23 VAL A 70 74.826 7.516 1.073 1.00 0.00 H new ATOM 993 N ASN A 71 79.784 6.397 0.680 1.00 0.00 N ATOM 994 CA ASN A 71 80.982 5.549 0.391 1.00 0.00 C ATOM 995 C ASN A 71 81.112 4.479 1.474 1.00 0.00 C ATOM 996 O ASN A 71 80.913 4.743 2.643 1.00 0.00 O ATOM 997 CB ASN A 71 82.248 6.411 0.389 1.00 0.00 C ATOM 998 CG ASN A 71 82.283 7.281 -0.870 1.00 0.00 C ATOM 999 OD1 ASN A 71 81.619 6.988 -1.843 1.00 0.00 O ATOM 1000 ND2 ASN A 71 83.046 8.341 -0.898 1.00 0.00 N ATOM 0 H ASN A 71 79.944 7.163 1.334 1.00 0.00 H new ATOM 0 HA ASN A 71 80.862 5.083 -0.587 1.00 0.00 H new ATOM 0 HB2 ASN A 71 82.271 7.041 1.278 1.00 0.00 H new ATOM 0 HB3 ASN A 71 83.132 5.775 0.427 1.00 0.00 H new ATOM 0 HD21 ASN A 71 83.083 8.921 -1.736 1.00 0.00 H new ATOM 0 HD22 ASN A 71 83.605 8.589 -0.081 1.00 0.00 H new ATOM 1007 N THR A 72 81.441 3.273 1.097 1.00 0.00 N ATOM 1008 CA THR A 72 81.584 2.167 2.094 1.00 0.00 C ATOM 1009 C THR A 72 83.053 1.773 2.207 1.00 0.00 C ATOM 1010 O THR A 72 83.534 1.421 3.264 1.00 0.00 O ATOM 1011 CB THR A 72 80.753 0.991 1.595 1.00 0.00 C ATOM 1012 OG1 THR A 72 80.895 -0.123 2.461 1.00 0.00 O ATOM 1013 CG2 THR A 72 81.190 0.609 0.179 1.00 0.00 C ATOM 0 H THR A 72 81.619 3.002 0.130 1.00 0.00 H new ATOM 0 HA THR A 72 81.239 2.478 3.080 1.00 0.00 H new ATOM 0 HB THR A 72 79.704 1.288 1.581 1.00 0.00 H new ATOM 0 HG1 THR A 72 81.770 -0.086 2.902 1.00 0.00 H new ATOM 0 HG21 THR A 72 80.592 -0.232 -0.172 1.00 0.00 H new ATOM 0 HG22 THR A 72 81.047 1.459 -0.488 1.00 0.00 H new ATOM 0 HG23 THR A 72 82.243 0.328 0.187 1.00 0.00 H new ATOM 1021 N ASN A 73 83.782 1.849 1.131 1.00 0.00 N ATOM 1022 CA ASN A 73 85.228 1.494 1.183 1.00 0.00 C ATOM 1023 C ASN A 73 86.000 2.782 1.467 1.00 0.00 C ATOM 1024 O ASN A 73 87.101 2.986 0.996 1.00 0.00 O ATOM 1025 CB ASN A 73 85.644 0.890 -0.180 1.00 0.00 C ATOM 1026 CG ASN A 73 86.621 -0.280 0.012 1.00 0.00 C ATOM 1027 OD1 ASN A 73 86.595 -0.959 1.020 1.00 0.00 O ATOM 1028 ND2 ASN A 73 87.480 -0.549 -0.931 1.00 0.00 N ATOM 0 H ASN A 73 83.440 2.142 0.216 1.00 0.00 H new ATOM 0 HA ASN A 73 85.437 0.759 1.960 1.00 0.00 H new ATOM 0 HB2 ASN A 73 84.759 0.545 -0.715 1.00 0.00 H new ATOM 0 HB3 ASN A 73 86.109 1.660 -0.796 1.00 0.00 H new ATOM 0 HD21 ASN A 73 88.129 -1.328 -0.822 1.00 0.00 H new ATOM 0 HD22 ASN A 73 87.503 0.020 -1.777 1.00 0.00 H new ATOM 1035 N GLN A 74 85.394 3.666 2.209 1.00 0.00 N ATOM 1036 CA GLN A 74 86.051 4.980 2.508 1.00 0.00 C ATOM 1037 C GLN A 74 87.455 4.805 3.113 1.00 0.00 C ATOM 1038 O GLN A 74 88.267 5.706 3.037 1.00 0.00 O ATOM 1039 CB GLN A 74 85.180 5.781 3.478 1.00 0.00 C ATOM 1040 CG GLN A 74 84.968 4.985 4.767 1.00 0.00 C ATOM 1041 CD GLN A 74 84.101 5.800 5.727 1.00 0.00 C ATOM 1042 OE1 GLN A 74 84.357 5.763 7.005 1.00 0.00 O flip ATOM 1043 NE2 GLN A 74 83.182 6.476 5.311 1.00 0.00 N flip ATOM 0 H GLN A 74 84.471 3.540 2.624 1.00 0.00 H new ATOM 0 HA GLN A 74 86.160 5.513 1.563 1.00 0.00 H new ATOM 0 HB2 GLN A 74 85.655 6.735 3.704 1.00 0.00 H new ATOM 0 HB3 GLN A 74 84.218 6.005 3.017 1.00 0.00 H new ATOM 0 HG2 GLN A 74 84.488 4.032 4.545 1.00 0.00 H new ATOM 0 HG3 GLN A 74 85.928 4.758 5.230 1.00 0.00 H new ATOM 0 HE21 GLN A 74 82.982 6.505 4.311 1.00 0.00 H new ATOM 0 HE22 GLN A 74 82.610 7.015 5.961 1.00 0.00 H new ATOM 1052 N ASP A 75 87.760 3.676 3.711 1.00 0.00 N ATOM 1053 CA ASP A 75 89.128 3.484 4.313 1.00 0.00 C ATOM 1054 C ASP A 75 89.942 2.510 3.450 1.00 0.00 C ATOM 1055 O ASP A 75 90.177 1.378 3.824 1.00 0.00 O ATOM 1056 CB ASP A 75 88.981 2.915 5.725 1.00 0.00 C ATOM 1057 CG ASP A 75 88.230 3.917 6.603 1.00 0.00 C ATOM 1058 OD1 ASP A 75 88.457 5.104 6.439 1.00 0.00 O ATOM 1059 OD2 ASP A 75 87.442 3.480 7.427 1.00 0.00 O ATOM 0 H ASP A 75 87.128 2.882 3.810 1.00 0.00 H new ATOM 0 HA ASP A 75 89.645 4.443 4.355 1.00 0.00 H new ATOM 0 HB2 ASP A 75 88.442 1.968 5.693 1.00 0.00 H new ATOM 0 HB3 ASP A 75 89.963 2.708 6.149 1.00 0.00 H new ATOM 1064 N ILE A 76 90.362 2.944 2.290 1.00 0.00 N ATOM 1065 CA ILE A 76 91.157 2.060 1.383 1.00 0.00 C ATOM 1066 C ILE A 76 92.559 1.804 1.943 1.00 0.00 C ATOM 1067 O ILE A 76 93.073 0.706 1.849 1.00 0.00 O ATOM 1068 CB ILE A 76 91.282 2.745 0.016 1.00 0.00 C ATOM 1069 CG1 ILE A 76 89.888 2.944 -0.612 1.00 0.00 C ATOM 1070 CG2 ILE A 76 92.183 1.922 -0.918 1.00 0.00 C ATOM 1071 CD1 ILE A 76 89.146 1.606 -0.755 1.00 0.00 C ATOM 0 H ILE A 76 90.187 3.882 1.928 1.00 0.00 H new ATOM 0 HA ILE A 76 90.645 1.102 1.294 1.00 0.00 H new ATOM 0 HB ILE A 76 91.740 3.724 0.158 1.00 0.00 H new ATOM 0 HG12 ILE A 76 89.302 3.624 0.006 1.00 0.00 H new ATOM 0 HG13 ILE A 76 89.991 3.412 -1.591 1.00 0.00 H new ATOM 0 HG21 ILE A 76 92.260 2.423 -1.883 1.00 0.00 H new ATOM 0 HG22 ILE A 76 93.175 1.829 -0.477 1.00 0.00 H new ATOM 0 HG23 ILE A 76 91.753 0.930 -1.057 1.00 0.00 H new ATOM 0 HD11 ILE A 76 88.166 1.779 -1.201 1.00 0.00 H new ATOM 0 HD12 ILE A 76 89.722 0.937 -1.394 1.00 0.00 H new ATOM 0 HD13 ILE A 76 89.022 1.152 0.228 1.00 0.00 H new ATOM 1083 N ASN A 77 93.201 2.794 2.506 1.00 0.00 N ATOM 1084 CA ASN A 77 94.573 2.546 3.031 1.00 0.00 C ATOM 1085 C ASN A 77 94.495 1.461 4.098 1.00 0.00 C ATOM 1086 O ASN A 77 95.263 0.525 4.096 1.00 0.00 O ATOM 1087 CB ASN A 77 95.162 3.828 3.627 1.00 0.00 C ATOM 1088 CG ASN A 77 95.459 4.823 2.502 1.00 0.00 C ATOM 1089 OD1 ASN A 77 95.730 4.430 1.385 1.00 0.00 O ATOM 1090 ND2 ASN A 77 95.424 6.104 2.751 1.00 0.00 N ATOM 0 H ASN A 77 92.844 3.742 2.623 1.00 0.00 H new ATOM 0 HA ASN A 77 95.222 2.224 2.217 1.00 0.00 H new ATOM 0 HB2 ASN A 77 94.462 4.266 4.339 1.00 0.00 H new ATOM 0 HB3 ASN A 77 96.075 3.600 4.176 1.00 0.00 H new ATOM 0 HD21 ASN A 77 95.624 6.774 2.008 1.00 0.00 H new ATOM 0 HD22 ASN A 77 95.197 6.435 3.689 1.00 0.00 H new ATOM 1097 N LYS A 78 93.565 1.571 5.003 1.00 0.00 N ATOM 1098 CA LYS A 78 93.430 0.527 6.059 1.00 0.00 C ATOM 1099 C LYS A 78 93.152 -0.820 5.390 1.00 0.00 C ATOM 1100 O LYS A 78 93.775 -1.819 5.683 1.00 0.00 O ATOM 1101 CB LYS A 78 92.232 0.881 6.945 1.00 0.00 C ATOM 1102 CG LYS A 78 92.052 -0.161 8.061 1.00 0.00 C ATOM 1103 CD LYS A 78 90.620 -0.096 8.598 1.00 0.00 C ATOM 1104 CE LYS A 78 90.338 1.288 9.185 1.00 0.00 C ATOM 1105 NZ LYS A 78 89.141 1.210 10.074 1.00 0.00 N ATOM 0 H LYS A 78 92.893 2.336 5.059 1.00 0.00 H new ATOM 0 HA LYS A 78 94.343 0.474 6.652 1.00 0.00 H new ATOM 0 HB2 LYS A 78 92.377 1.868 7.383 1.00 0.00 H new ATOM 0 HB3 LYS A 78 91.328 0.931 6.339 1.00 0.00 H new ATOM 0 HG2 LYS A 78 92.262 -1.159 7.678 1.00 0.00 H new ATOM 0 HG3 LYS A 78 92.762 0.027 8.866 1.00 0.00 H new ATOM 0 HD2 LYS A 78 89.913 -0.310 7.796 1.00 0.00 H new ATOM 0 HD3 LYS A 78 90.476 -0.860 9.362 1.00 0.00 H new ATOM 0 HE2 LYS A 78 91.202 1.640 9.749 1.00 0.00 H new ATOM 0 HE3 LYS A 78 90.165 2.007 8.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 88.945 2.149 10.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 88.319 0.891 9.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 89.324 0.535 10.844 1.00 0.00 H new ATOM 1119 N THR A 79 92.194 -0.843 4.509 1.00 0.00 N ATOM 1120 CA THR A 79 91.822 -2.109 3.824 1.00 0.00 C ATOM 1121 C THR A 79 93.002 -2.643 2.994 1.00 0.00 C ATOM 1122 O THR A 79 93.289 -3.819 3.002 1.00 0.00 O ATOM 1123 CB THR A 79 90.591 -1.823 2.954 1.00 0.00 C ATOM 1124 OG1 THR A 79 89.423 -1.952 3.753 1.00 0.00 O ATOM 1125 CG2 THR A 79 90.505 -2.788 1.764 1.00 0.00 C ATOM 0 H THR A 79 91.646 -0.028 4.231 1.00 0.00 H new ATOM 0 HA THR A 79 91.580 -2.885 4.550 1.00 0.00 H new ATOM 0 HB THR A 79 90.676 -0.811 2.559 1.00 0.00 H new ATOM 0 HG1 THR A 79 88.631 -1.769 3.206 1.00 0.00 H new ATOM 0 HG21 THR A 79 89.621 -2.556 1.170 1.00 0.00 H new ATOM 0 HG22 THR A 79 91.396 -2.683 1.145 1.00 0.00 H new ATOM 0 HG23 THR A 79 90.437 -3.812 2.130 1.00 0.00 H new ATOM 1133 N ASN A 80 93.693 -1.800 2.290 1.00 0.00 N ATOM 1134 CA ASN A 80 94.851 -2.285 1.482 1.00 0.00 C ATOM 1135 C ASN A 80 95.899 -2.927 2.399 1.00 0.00 C ATOM 1136 O ASN A 80 96.575 -3.864 2.024 1.00 0.00 O ATOM 1137 CB ASN A 80 95.493 -1.111 0.725 1.00 0.00 C ATOM 1138 CG ASN A 80 94.678 -0.761 -0.525 1.00 0.00 C ATOM 1139 OD1 ASN A 80 94.662 0.378 -0.942 1.00 0.00 O ATOM 1140 ND2 ASN A 80 94.010 -1.689 -1.159 1.00 0.00 N ATOM 0 H ASN A 80 93.512 -0.798 2.235 1.00 0.00 H new ATOM 0 HA ASN A 80 94.491 -3.025 0.767 1.00 0.00 H new ATOM 0 HB2 ASN A 80 95.556 -0.241 1.379 1.00 0.00 H new ATOM 0 HB3 ASN A 80 96.513 -1.370 0.440 1.00 0.00 H new ATOM 0 HD21 ASN A 80 93.480 -1.453 -1.998 1.00 0.00 H new ATOM 0 HD22 ASN A 80 94.019 -2.649 -0.815 1.00 0.00 H new ATOM 1147 N LYS A 81 96.067 -2.408 3.578 1.00 0.00 N ATOM 1148 CA LYS A 81 97.100 -2.959 4.494 1.00 0.00 C ATOM 1149 C LYS A 81 96.737 -4.380 4.944 1.00 0.00 C ATOM 1150 O LYS A 81 97.566 -5.269 4.909 1.00 0.00 O ATOM 1151 CB LYS A 81 97.230 -2.027 5.708 1.00 0.00 C ATOM 1152 CG LYS A 81 98.469 -2.396 6.560 1.00 0.00 C ATOM 1153 CD LYS A 81 98.057 -3.266 7.753 1.00 0.00 C ATOM 1154 CE LYS A 81 99.301 -3.637 8.561 1.00 0.00 C ATOM 1155 NZ LYS A 81 98.939 -4.651 9.592 1.00 0.00 N ATOM 0 H LYS A 81 95.532 -1.623 3.950 1.00 0.00 H new ATOM 0 HA LYS A 81 98.053 -3.017 3.968 1.00 0.00 H new ATOM 0 HB2 LYS A 81 97.311 -0.994 5.371 1.00 0.00 H new ATOM 0 HB3 LYS A 81 96.330 -2.093 6.320 1.00 0.00 H new ATOM 0 HG2 LYS A 81 99.195 -2.929 5.946 1.00 0.00 H new ATOM 0 HG3 LYS A 81 98.958 -1.489 6.915 1.00 0.00 H new ATOM 0 HD2 LYS A 81 97.348 -2.728 8.382 1.00 0.00 H new ATOM 0 HD3 LYS A 81 97.554 -4.168 7.404 1.00 0.00 H new ATOM 0 HE2 LYS A 81 100.072 -4.034 7.900 1.00 0.00 H new ATOM 0 HE3 LYS A 81 99.716 -2.749 9.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 99.785 -4.904 10.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 98.217 -4.257 10.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 98.562 -5.501 9.126 1.00 0.00 H new ATOM 1169 N VAL A 82 95.518 -4.602 5.388 1.00 0.00 N ATOM 1170 CA VAL A 82 95.123 -5.973 5.867 1.00 0.00 C ATOM 1171 C VAL A 82 94.066 -6.610 4.949 1.00 0.00 C ATOM 1172 O VAL A 82 93.979 -7.819 4.853 1.00 0.00 O ATOM 1173 CB VAL A 82 94.564 -5.860 7.285 1.00 0.00 C ATOM 1174 CG1 VAL A 82 93.380 -4.899 7.295 1.00 0.00 C ATOM 1175 CG2 VAL A 82 94.101 -7.237 7.751 1.00 0.00 C ATOM 0 H VAL A 82 94.782 -3.898 5.440 1.00 0.00 H new ATOM 0 HA VAL A 82 96.007 -6.611 5.853 1.00 0.00 H new ATOM 0 HB VAL A 82 95.339 -5.484 7.953 1.00 0.00 H new ATOM 0 HG11 VAL A 82 92.984 -4.821 8.307 1.00 0.00 H new ATOM 0 HG12 VAL A 82 93.706 -3.916 6.956 1.00 0.00 H new ATOM 0 HG13 VAL A 82 92.602 -5.273 6.629 1.00 0.00 H new ATOM 0 HG21 VAL A 82 93.701 -7.163 8.762 1.00 0.00 H new ATOM 0 HG22 VAL A 82 93.326 -7.606 7.080 1.00 0.00 H new ATOM 0 HG23 VAL A 82 94.945 -7.926 7.744 1.00 0.00 H new ATOM 1185 N GLY A 83 93.266 -5.830 4.269 1.00 0.00 N ATOM 1186 CA GLY A 83 92.236 -6.420 3.367 1.00 0.00 C ATOM 1187 C GLY A 83 90.932 -6.645 4.132 1.00 0.00 C ATOM 1188 O GLY A 83 90.879 -6.570 5.343 1.00 0.00 O ATOM 0 H GLY A 83 93.282 -4.811 4.300 1.00 0.00 H new ATOM 0 HA2 GLY A 83 92.060 -5.756 2.521 1.00 0.00 H new ATOM 0 HA3 GLY A 83 92.596 -7.365 2.961 1.00 0.00 H new ATOM 1192 N VAL A 84 89.884 -6.929 3.412 1.00 0.00 N ATOM 1193 CA VAL A 84 88.545 -7.177 4.040 1.00 0.00 C ATOM 1194 C VAL A 84 88.201 -8.663 3.894 1.00 0.00 C ATOM 1195 O VAL A 84 88.208 -9.208 2.808 1.00 0.00 O ATOM 1196 CB VAL A 84 87.497 -6.327 3.315 1.00 0.00 C ATOM 1197 CG1 VAL A 84 86.110 -6.553 3.930 1.00 0.00 C ATOM 1198 CG2 VAL A 84 87.879 -4.850 3.446 1.00 0.00 C ATOM 0 H VAL A 84 89.894 -7.002 2.395 1.00 0.00 H new ATOM 0 HA VAL A 84 88.562 -6.910 5.097 1.00 0.00 H new ATOM 0 HB VAL A 84 87.465 -6.614 2.264 1.00 0.00 H new ATOM 0 HG11 VAL A 84 85.375 -5.943 3.405 1.00 0.00 H new ATOM 0 HG12 VAL A 84 85.839 -7.605 3.840 1.00 0.00 H new ATOM 0 HG13 VAL A 84 86.129 -6.272 4.983 1.00 0.00 H new ATOM 0 HG21 VAL A 84 87.139 -4.236 2.933 1.00 0.00 H new ATOM 0 HG22 VAL A 84 87.911 -4.575 4.500 1.00 0.00 H new ATOM 0 HG23 VAL A 84 88.859 -4.687 2.998 1.00 0.00 H new ATOM 1208 N GLN A 85 87.920 -9.330 4.982 1.00 0.00 N ATOM 1209 CA GLN A 85 87.596 -10.782 4.905 1.00 0.00 C ATOM 1210 C GLN A 85 86.142 -10.979 4.467 1.00 0.00 C ATOM 1211 O GLN A 85 85.877 -11.521 3.413 1.00 0.00 O ATOM 1212 CB GLN A 85 87.810 -11.421 6.281 1.00 0.00 C ATOM 1213 CG GLN A 85 87.483 -12.916 6.215 1.00 0.00 C ATOM 1214 CD GLN A 85 87.863 -13.578 7.541 1.00 0.00 C ATOM 1215 OE1 GLN A 85 88.506 -12.970 8.374 1.00 0.00 O ATOM 1216 NE2 GLN A 85 87.486 -14.806 7.776 1.00 0.00 N ATOM 0 H GLN A 85 87.901 -8.931 5.920 1.00 0.00 H new ATOM 0 HA GLN A 85 88.250 -11.255 4.172 1.00 0.00 H new ATOM 0 HB2 GLN A 85 88.842 -11.279 6.602 1.00 0.00 H new ATOM 0 HB3 GLN A 85 87.176 -10.933 7.021 1.00 0.00 H new ATOM 0 HG2 GLN A 85 86.421 -13.059 6.016 1.00 0.00 H new ATOM 0 HG3 GLN A 85 88.027 -13.383 5.394 1.00 0.00 H new ATOM 0 HE21 GLN A 85 86.946 -15.316 7.077 1.00 0.00 H new ATOM 0 HE22 GLN A 85 87.731 -15.255 8.659 1.00 0.00 H new ATOM 1225 N LYS A 86 85.197 -10.567 5.282 1.00 0.00 N ATOM 1226 CA LYS A 86 83.745 -10.750 4.937 1.00 0.00 C ATOM 1227 C LYS A 86 83.061 -9.391 4.753 1.00 0.00 C ATOM 1228 O LYS A 86 83.325 -8.445 5.468 1.00 0.00 O ATOM 1229 CB LYS A 86 83.065 -11.509 6.078 1.00 0.00 C ATOM 1230 CG LYS A 86 81.584 -11.766 5.761 1.00 0.00 C ATOM 1231 CD LYS A 86 81.451 -12.655 4.512 1.00 0.00 C ATOM 1232 CE LYS A 86 80.106 -13.383 4.537 1.00 0.00 C ATOM 1233 NZ LYS A 86 80.000 -14.268 3.346 1.00 0.00 N ATOM 0 H LYS A 86 85.369 -10.109 6.177 1.00 0.00 H new ATOM 0 HA LYS A 86 83.663 -11.309 4.005 1.00 0.00 H new ATOM 0 HB2 LYS A 86 83.575 -12.458 6.244 1.00 0.00 H new ATOM 0 HB3 LYS A 86 83.149 -10.936 7.002 1.00 0.00 H new ATOM 0 HG2 LYS A 86 81.101 -12.248 6.611 1.00 0.00 H new ATOM 0 HG3 LYS A 86 81.070 -10.819 5.598 1.00 0.00 H new ATOM 0 HD2 LYS A 86 81.529 -12.047 3.611 1.00 0.00 H new ATOM 0 HD3 LYS A 86 82.266 -13.378 4.480 1.00 0.00 H new ATOM 0 HE2 LYS A 86 80.016 -13.971 5.450 1.00 0.00 H new ATOM 0 HE3 LYS A 86 79.289 -12.661 4.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 79.086 -14.764 3.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 80.068 -13.695 2.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 80.772 -14.965 3.362 1.00 0.00 H new ATOM 1247 N TYR A 87 82.165 -9.304 3.802 1.00 0.00 N ATOM 1248 CA TYR A 87 81.412 -8.031 3.546 1.00 0.00 C ATOM 1249 C TYR A 87 79.913 -8.309 3.699 1.00 0.00 C ATOM 1250 O TYR A 87 79.406 -9.275 3.166 1.00 0.00 O ATOM 1251 CB TYR A 87 81.702 -7.546 2.124 1.00 0.00 C ATOM 1252 CG TYR A 87 80.939 -6.271 1.853 1.00 0.00 C ATOM 1253 CD1 TYR A 87 81.521 -5.030 2.140 1.00 0.00 C ATOM 1254 CD2 TYR A 87 79.650 -6.331 1.312 1.00 0.00 C ATOM 1255 CE1 TYR A 87 80.811 -3.849 1.887 1.00 0.00 C ATOM 1256 CE2 TYR A 87 78.942 -5.152 1.057 1.00 0.00 C ATOM 1257 CZ TYR A 87 79.521 -3.910 1.342 1.00 0.00 C ATOM 1258 OH TYR A 87 78.822 -2.747 1.087 1.00 0.00 O ATOM 0 H TYR A 87 81.917 -10.073 3.180 1.00 0.00 H new ATOM 0 HA TYR A 87 81.721 -7.264 4.256 1.00 0.00 H new ATOM 0 HB2 TYR A 87 82.771 -7.374 1.999 1.00 0.00 H new ATOM 0 HB3 TYR A 87 81.416 -8.312 1.403 1.00 0.00 H new ATOM 0 HD1 TYR A 87 82.517 -4.983 2.556 1.00 0.00 H new ATOM 0 HD2 TYR A 87 79.201 -7.288 1.091 1.00 0.00 H new ATOM 0 HE1 TYR A 87 81.258 -2.892 2.112 1.00 0.00 H new ATOM 0 HE2 TYR A 87 77.947 -5.200 0.640 1.00 0.00 H new ATOM 0 HH TYR A 87 77.958 -2.967 0.680 1.00 0.00 H new ATOM 1268 N ARG A 88 79.198 -7.483 4.430 1.00 0.00 N ATOM 1269 CA ARG A 88 77.726 -7.719 4.621 1.00 0.00 C ATOM 1270 C ARG A 88 76.948 -6.409 4.443 1.00 0.00 C ATOM 1271 O ARG A 88 77.241 -5.412 5.072 1.00 0.00 O ATOM 1272 CB ARG A 88 77.495 -8.255 6.034 1.00 0.00 C ATOM 1273 CG ARG A 88 78.071 -9.667 6.139 1.00 0.00 C ATOM 1274 CD ARG A 88 77.940 -10.172 7.577 1.00 0.00 C ATOM 1275 NE ARG A 88 76.502 -10.328 7.920 1.00 0.00 N ATOM 1276 CZ ARG A 88 76.159 -10.858 9.058 1.00 0.00 C ATOM 1277 NH1 ARG A 88 77.077 -11.243 9.901 1.00 0.00 N ATOM 1278 NH2 ARG A 88 74.898 -11.000 9.354 1.00 0.00 N ATOM 0 H ARG A 88 79.568 -6.658 4.902 1.00 0.00 H new ATOM 0 HA ARG A 88 77.377 -8.438 3.880 1.00 0.00 H new ATOM 0 HB2 ARG A 88 77.970 -7.601 6.766 1.00 0.00 H new ATOM 0 HB3 ARG A 88 76.429 -8.267 6.261 1.00 0.00 H new ATOM 0 HG2 ARG A 88 77.544 -10.336 5.459 1.00 0.00 H new ATOM 0 HG3 ARG A 88 79.119 -9.666 5.838 1.00 0.00 H new ATOM 0 HD2 ARG A 88 78.456 -11.126 7.687 1.00 0.00 H new ATOM 0 HD3 ARG A 88 78.415 -9.471 8.264 1.00 0.00 H new ATOM 0 HE ARG A 88 75.785 -10.020 7.264 1.00 0.00 H new ATOM 0 HH11 ARG A 88 78.063 -11.129 9.668 1.00 0.00 H new ATOM 0 HH12 ARG A 88 76.808 -11.658 10.793 1.00 0.00 H new ATOM 0 HH21 ARG A 88 74.182 -10.696 8.694 1.00 0.00 H new ATOM 0 HH22 ARG A 88 74.627 -11.415 10.245 1.00 0.00 H new ATOM 1292 N ALA A 89 75.950 -6.417 3.590 1.00 0.00 N ATOM 1293 CA ALA A 89 75.122 -5.188 3.353 1.00 0.00 C ATOM 1294 C ALA A 89 73.638 -5.501 3.588 1.00 0.00 C ATOM 1295 O ALA A 89 73.124 -6.495 3.117 1.00 0.00 O ATOM 1296 CB ALA A 89 75.323 -4.719 1.910 1.00 0.00 C ATOM 0 H ALA A 89 75.670 -7.231 3.042 1.00 0.00 H new ATOM 0 HA ALA A 89 75.433 -4.404 4.044 1.00 0.00 H new ATOM 0 HB1 ALA A 89 74.724 -3.826 1.731 1.00 0.00 H new ATOM 0 HB2 ALA A 89 76.376 -4.489 1.745 1.00 0.00 H new ATOM 0 HB3 ALA A 89 75.013 -5.508 1.225 1.00 0.00 H new ATOM 1302 N LEU A 90 72.944 -4.638 4.297 1.00 0.00 N ATOM 1303 CA LEU A 90 71.479 -4.847 4.559 1.00 0.00 C ATOM 1304 C LEU A 90 70.705 -3.682 3.946 1.00 0.00 C ATOM 1305 O LEU A 90 71.071 -2.536 4.103 1.00 0.00 O ATOM 1306 CB LEU A 90 71.228 -4.897 6.069 1.00 0.00 C ATOM 1307 CG LEU A 90 69.722 -4.974 6.372 1.00 0.00 C ATOM 1308 CD1 LEU A 90 69.116 -6.227 5.726 1.00 0.00 C ATOM 1309 CD2 LEU A 90 69.523 -5.049 7.889 1.00 0.00 C ATOM 0 H LEU A 90 73.333 -3.790 4.709 1.00 0.00 H new ATOM 0 HA LEU A 90 71.150 -5.787 4.116 1.00 0.00 H new ATOM 0 HB2 LEU A 90 71.734 -5.762 6.498 1.00 0.00 H new ATOM 0 HB3 LEU A 90 71.654 -4.012 6.542 1.00 0.00 H new ATOM 0 HG LEU A 90 69.229 -4.090 5.968 1.00 0.00 H new ATOM 0 HD11 LEU A 90 68.050 -6.271 5.947 1.00 0.00 H new ATOM 0 HD12 LEU A 90 69.261 -6.186 4.646 1.00 0.00 H new ATOM 0 HD13 LEU A 90 69.606 -7.115 6.125 1.00 0.00 H new ATOM 0 HD21 LEU A 90 68.458 -5.104 8.114 1.00 0.00 H new ATOM 0 HD22 LEU A 90 70.022 -5.936 8.278 1.00 0.00 H new ATOM 0 HD23 LEU A 90 69.947 -4.160 8.356 1.00 0.00 H new ATOM 1321 N THR A 91 69.646 -3.973 3.235 1.00 0.00 N ATOM 1322 CA THR A 91 68.836 -2.889 2.581 1.00 0.00 C ATOM 1323 C THR A 91 67.344 -3.047 2.919 1.00 0.00 C ATOM 1324 O THR A 91 66.756 -4.091 2.724 1.00 0.00 O ATOM 1325 CB THR A 91 69.025 -2.979 1.063 1.00 0.00 C ATOM 1326 OG1 THR A 91 68.876 -4.331 0.651 1.00 0.00 O ATOM 1327 CG2 THR A 91 70.423 -2.477 0.686 1.00 0.00 C ATOM 0 H THR A 91 69.302 -4.920 3.076 1.00 0.00 H new ATOM 0 HA THR A 91 69.174 -1.920 2.949 1.00 0.00 H new ATOM 0 HB THR A 91 68.277 -2.361 0.566 1.00 0.00 H new ATOM 0 HG1 THR A 91 68.110 -4.731 1.113 1.00 0.00 H new ATOM 0 HG21 THR A 91 70.554 -2.542 -0.394 1.00 0.00 H new ATOM 0 HG22 THR A 91 70.535 -1.440 1.003 1.00 0.00 H new ATOM 0 HG23 THR A 91 71.176 -3.091 1.181 1.00 0.00 H new ATOM 1335 N GLU A 92 66.739 -2.000 3.430 1.00 0.00 N ATOM 1336 CA GLU A 92 65.281 -2.046 3.795 1.00 0.00 C ATOM 1337 C GLU A 92 64.559 -0.790 3.292 1.00 0.00 C ATOM 1338 O GLU A 92 65.161 0.238 3.063 1.00 0.00 O ATOM 1339 CB GLU A 92 65.143 -2.142 5.315 1.00 0.00 C ATOM 1340 CG GLU A 92 65.606 -3.524 5.775 1.00 0.00 C ATOM 1341 CD GLU A 92 64.588 -4.579 5.335 1.00 0.00 C ATOM 1342 OE1 GLU A 92 63.444 -4.476 5.748 1.00 0.00 O ATOM 1343 OE2 GLU A 92 64.970 -5.471 4.595 1.00 0.00 O ATOM 0 H GLU A 92 67.195 -1.106 3.612 1.00 0.00 H new ATOM 0 HA GLU A 92 64.828 -2.919 3.325 1.00 0.00 H new ATOM 0 HB2 GLU A 92 65.739 -1.367 5.796 1.00 0.00 H new ATOM 0 HB3 GLU A 92 64.107 -1.976 5.609 1.00 0.00 H new ATOM 0 HG2 GLU A 92 66.585 -3.750 5.352 1.00 0.00 H new ATOM 0 HG3 GLU A 92 65.716 -3.540 6.859 1.00 0.00 H new ATOM 1350 N TRP A 93 63.262 -0.866 3.141 1.00 0.00 N ATOM 1351 CA TRP A 93 62.487 0.325 2.678 1.00 0.00 C ATOM 1352 C TRP A 93 62.457 1.355 3.811 1.00 0.00 C ATOM 1353 O TRP A 93 62.291 1.006 4.963 1.00 0.00 O ATOM 1354 CB TRP A 93 61.047 -0.089 2.338 1.00 0.00 C ATOM 1355 CG TRP A 93 60.999 -0.767 1.004 1.00 0.00 C ATOM 1356 CD1 TRP A 93 60.700 -2.072 0.796 1.00 0.00 C ATOM 1357 CD2 TRP A 93 61.238 -0.190 -0.309 1.00 0.00 C ATOM 1358 NE1 TRP A 93 60.731 -2.326 -0.566 1.00 0.00 N ATOM 1359 CE2 TRP A 93 61.060 -1.195 -1.290 1.00 0.00 C ATOM 1360 CE3 TRP A 93 61.587 1.099 -0.734 1.00 0.00 C ATOM 1361 CZ2 TRP A 93 61.222 -0.921 -2.653 1.00 0.00 C ATOM 1362 CZ3 TRP A 93 61.753 1.379 -2.099 1.00 0.00 C ATOM 1363 CH2 TRP A 93 61.569 0.373 -3.057 1.00 0.00 C ATOM 0 H TRP A 93 62.705 -1.702 3.318 1.00 0.00 H new ATOM 0 HA TRP A 93 62.957 0.747 1.790 1.00 0.00 H new ATOM 0 HB2 TRP A 93 60.663 -0.759 3.107 1.00 0.00 H new ATOM 0 HB3 TRP A 93 60.402 0.789 2.330 1.00 0.00 H new ATOM 0 HD1 TRP A 93 60.474 -2.796 1.565 1.00 0.00 H new ATOM 0 HE1 TRP A 93 60.535 -3.236 -0.983 1.00 0.00 H new ATOM 0 HE3 TRP A 93 61.729 1.883 -0.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 61.080 -1.701 -3.386 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 62.024 2.376 -2.413 1.00 0.00 H new ATOM 0 HH2 TRP A 93 61.695 0.596 -4.106 1.00 0.00 H new ATOM 1374 N VAL A 94 62.608 2.621 3.497 1.00 0.00 N ATOM 1375 CA VAL A 94 62.582 3.678 4.560 1.00 0.00 C ATOM 1376 C VAL A 94 61.335 4.540 4.385 1.00 0.00 C ATOM 1377 O VAL A 94 61.163 5.202 3.378 1.00 0.00 O ATOM 1378 CB VAL A 94 63.821 4.566 4.423 1.00 0.00 C ATOM 1379 CG1 VAL A 94 63.853 5.590 5.562 1.00 0.00 C ATOM 1380 CG2 VAL A 94 65.080 3.701 4.485 1.00 0.00 C ATOM 0 H VAL A 94 62.748 2.968 2.548 1.00 0.00 H new ATOM 0 HA VAL A 94 62.572 3.205 5.542 1.00 0.00 H new ATOM 0 HB VAL A 94 63.783 5.089 3.467 1.00 0.00 H new ATOM 0 HG11 VAL A 94 64.737 6.220 5.460 1.00 0.00 H new ATOM 0 HG12 VAL A 94 62.958 6.211 5.518 1.00 0.00 H new ATOM 0 HG13 VAL A 94 63.887 5.069 6.519 1.00 0.00 H new ATOM 0 HG21 VAL A 94 65.962 4.334 4.387 1.00 0.00 H new ATOM 0 HG22 VAL A 94 65.114 3.176 5.440 1.00 0.00 H new ATOM 0 HG23 VAL A 94 65.063 2.975 3.672 1.00 0.00 H new ATOM 1390 N GLY A 95 60.479 4.554 5.375 1.00 0.00 N ATOM 1391 CA GLY A 95 59.236 5.379 5.304 1.00 0.00 C ATOM 1392 C GLY A 95 58.959 5.970 6.689 1.00 0.00 C ATOM 1393 O GLY A 95 59.744 6.734 7.213 1.00 0.00 O ATOM 0 H GLY A 95 60.590 4.023 6.239 1.00 0.00 H new ATOM 0 HA2 GLY A 95 59.353 6.176 4.570 1.00 0.00 H new ATOM 0 HA3 GLY A 95 58.394 4.767 4.979 1.00 0.00 H new