USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=26 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 58 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 74 GLN : amide:sc= -1.56 X(o=-1.6,f=-1.1) USER MOD Set 2.1: A 15 CYS SG : rot 59:sc= -3.02! USER MOD Set 2.2: A 32 CYS SG : rot -107:sc= -2.46! USER MOD Set 3.1: A 23 TYR OH : rot -171:sc= 1.37 USER MOD Set 3.2: A 87 TYR OH : rot 149:sc= 1.17 USER MOD Single : A 9 ASN : amide:sc= -0.0363 K(o=-0.036,f=-1.1) USER MOD Single : A 13 SER OG : rot 180:sc= -0.0129 USER MOD Single : A 14 GLN : amide:sc= -0.22 X(o=-0.22,f=-0.63) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 19 SER OG : rot 16:sc= 0.569! USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 171:sc= -0.362 USER MOD Single : A 26 ASN : amide:sc= -1.91! K(o=-1.9!,f=-0.88) 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 166:sc= -0.156 (180deg=-0.345) USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= -0.492 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=-0.00856 X(o=-0.0086,f=-0.21) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.0496 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -2.64 K(o=-2.6,f=-4.9!) USER MOD Single : A 61 LYS NZ :NH3+ -131:sc= -2.04 (180deg=-4.82!) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0139 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.217 USER MOD Single : A 73 ASN : amide:sc= -2.2! C(o=-2.2!,f=-3.2!) USER MOD Single : A 77 ASN : amide:sc= -1.06 K(o=-1.1,f=-0.0082) 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= 0 X(o=0,f=0) USER MOD Single : A 81 LYS NZ :NH3+ -164:sc= -0.0287 (180deg=-0.384) USER MOD Single : A 85 GLN : amide:sc= -0.0931 K(o=-0.093,f=-0.73) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 36:sc= 0.119 USER MOD ----------------------------------------------------------------- ATOM 73 N ALA A 7 55.375 -2.180 -1.593 1.00 0.00 N ATOM 74 CA ALA A 7 56.838 -2.410 -1.776 1.00 0.00 C ATOM 75 C ALA A 7 57.158 -3.847 -1.350 1.00 0.00 C ATOM 76 O ALA A 7 58.296 -4.276 -1.343 1.00 0.00 O ATOM 77 CB ALA A 7 57.627 -1.418 -0.911 1.00 0.00 C ATOM 0 HA ALA A 7 57.117 -2.262 -2.819 1.00 0.00 H new ATOM 0 HB1 ALA A 7 58.695 -1.587 -1.046 1.00 0.00 H new ATOM 0 HB2 ALA A 7 57.381 -0.399 -1.209 1.00 0.00 H new ATOM 0 HB3 ALA A 7 57.366 -1.562 0.138 1.00 0.00 H new ATOM 83 N ASP A 8 56.148 -4.579 -0.980 1.00 0.00 N ATOM 84 CA ASP A 8 56.340 -5.987 -0.525 1.00 0.00 C ATOM 85 C ASP A 8 56.954 -6.851 -1.630 1.00 0.00 C ATOM 86 O ASP A 8 57.774 -7.709 -1.369 1.00 0.00 O ATOM 87 CB ASP A 8 54.981 -6.570 -0.133 1.00 0.00 C ATOM 88 CG ASP A 8 54.491 -5.902 1.154 1.00 0.00 C ATOM 89 OD1 ASP A 8 55.329 -5.489 1.937 1.00 0.00 O ATOM 90 OD2 ASP A 8 53.287 -5.814 1.332 1.00 0.00 O ATOM 0 H ASP A 8 55.180 -4.258 -0.973 1.00 0.00 H new ATOM 0 HA ASP A 8 57.021 -5.985 0.326 1.00 0.00 H new ATOM 0 HB2 ASP A 8 54.260 -6.411 -0.935 1.00 0.00 H new ATOM 0 HB3 ASP A 8 55.064 -7.647 0.012 1.00 0.00 H new ATOM 95 N ASN A 9 56.544 -6.668 -2.854 1.00 0.00 N ATOM 96 CA ASN A 9 57.086 -7.519 -3.956 1.00 0.00 C ATOM 97 C ASN A 9 58.408 -6.948 -4.461 1.00 0.00 C ATOM 98 O ASN A 9 59.023 -7.490 -5.359 1.00 0.00 O ATOM 99 CB ASN A 9 56.075 -7.566 -5.099 1.00 0.00 C ATOM 100 CG ASN A 9 54.836 -8.342 -4.644 1.00 0.00 C ATOM 101 OD1 ASN A 9 54.942 -9.299 -3.902 1.00 0.00 O ATOM 102 ND2 ASN A 9 53.657 -7.960 -5.052 1.00 0.00 N ATOM 0 H ASN A 9 55.859 -5.969 -3.141 1.00 0.00 H new ATOM 0 HA ASN A 9 57.261 -8.526 -3.579 1.00 0.00 H new ATOM 0 HB2 ASN A 9 55.797 -6.555 -5.396 1.00 0.00 H new ATOM 0 HB3 ASN A 9 56.518 -8.044 -5.973 1.00 0.00 H new ATOM 0 HD21 ASN A 9 52.824 -8.464 -4.748 1.00 0.00 H new ATOM 0 HD22 ASN A 9 53.568 -7.157 -5.675 1.00 0.00 H new ATOM 109 N VAL A 10 58.859 -5.863 -3.889 1.00 0.00 N ATOM 110 CA VAL A 10 60.152 -5.259 -4.328 1.00 0.00 C ATOM 111 C VAL A 10 61.211 -5.544 -3.266 1.00 0.00 C ATOM 112 O VAL A 10 60.994 -5.332 -2.092 1.00 0.00 O ATOM 113 CB VAL A 10 59.995 -3.745 -4.470 1.00 0.00 C ATOM 114 CG1 VAL A 10 61.222 -3.164 -5.178 1.00 0.00 C ATOM 115 CG2 VAL A 10 58.735 -3.424 -5.273 1.00 0.00 C ATOM 0 H VAL A 10 58.386 -5.367 -3.134 1.00 0.00 H new ATOM 0 HA VAL A 10 60.446 -5.686 -5.287 1.00 0.00 H new ATOM 0 HB VAL A 10 59.907 -3.301 -3.478 1.00 0.00 H new ATOM 0 HG11 VAL A 10 61.107 -2.085 -5.278 1.00 0.00 H new ATOM 0 HG12 VAL A 10 62.116 -3.381 -4.594 1.00 0.00 H new ATOM 0 HG13 VAL A 10 61.317 -3.612 -6.167 1.00 0.00 H new ATOM 0 HG21 VAL A 10 58.631 -2.343 -5.370 1.00 0.00 H new ATOM 0 HG22 VAL A 10 58.811 -3.871 -6.264 1.00 0.00 H new ATOM 0 HG23 VAL A 10 57.863 -3.828 -4.759 1.00 0.00 H new ATOM 125 N ASP A 11 62.359 -6.018 -3.668 1.00 0.00 N ATOM 126 CA ASP A 11 63.441 -6.311 -2.683 1.00 0.00 C ATOM 127 C ASP A 11 64.442 -5.143 -2.701 1.00 0.00 C ATOM 128 O ASP A 11 65.172 -4.983 -3.658 1.00 0.00 O ATOM 129 CB ASP A 11 64.156 -7.595 -3.106 1.00 0.00 C ATOM 130 CG ASP A 11 63.189 -8.774 -2.990 1.00 0.00 C ATOM 131 OD1 ASP A 11 62.358 -8.924 -3.872 1.00 0.00 O ATOM 132 OD2 ASP A 11 63.292 -9.507 -2.020 1.00 0.00 O ATOM 0 H ASP A 11 62.596 -6.216 -4.640 1.00 0.00 H new ATOM 0 HA ASP A 11 63.026 -6.433 -1.682 1.00 0.00 H new ATOM 0 HB2 ASP A 11 64.515 -7.504 -4.131 1.00 0.00 H new ATOM 0 HB3 ASP A 11 65.029 -7.763 -2.476 1.00 0.00 H new ATOM 137 N PRO A 12 64.486 -4.322 -1.671 1.00 0.00 N ATOM 138 CA PRO A 12 65.425 -3.163 -1.625 1.00 0.00 C ATOM 139 C PRO A 12 66.838 -3.539 -2.085 1.00 0.00 C ATOM 140 O PRO A 12 67.673 -2.687 -2.319 1.00 0.00 O ATOM 141 CB PRO A 12 65.413 -2.773 -0.146 1.00 0.00 C ATOM 142 CG PRO A 12 64.031 -3.099 0.300 1.00 0.00 C ATOM 143 CD PRO A 12 63.664 -4.385 -0.441 1.00 0.00 C ATOM 0 HA PRO A 12 65.125 -2.356 -2.294 1.00 0.00 H new ATOM 0 HB2 PRO A 12 66.158 -3.332 0.420 1.00 0.00 H new ATOM 0 HB3 PRO A 12 65.637 -1.715 -0.010 1.00 0.00 H new ATOM 0 HG2 PRO A 12 63.989 -3.241 1.380 1.00 0.00 H new ATOM 0 HG3 PRO A 12 63.338 -2.293 0.057 1.00 0.00 H new ATOM 0 HD2 PRO A 12 63.896 -5.270 0.152 1.00 0.00 H new ATOM 0 HD3 PRO A 12 62.599 -4.426 -0.671 1.00 0.00 H new ATOM 151 N SER A 13 67.109 -4.807 -2.216 1.00 0.00 N ATOM 152 CA SER A 13 68.465 -5.240 -2.659 1.00 0.00 C ATOM 153 C SER A 13 68.687 -4.868 -4.131 1.00 0.00 C ATOM 154 O SER A 13 69.769 -4.470 -4.517 1.00 0.00 O ATOM 155 CB SER A 13 68.604 -6.753 -2.479 1.00 0.00 C ATOM 156 OG SER A 13 67.705 -7.417 -3.356 1.00 0.00 O ATOM 0 H SER A 13 66.450 -5.564 -2.035 1.00 0.00 H new ATOM 0 HA SER A 13 69.215 -4.732 -2.053 1.00 0.00 H new ATOM 0 HB2 SER A 13 69.628 -7.063 -2.688 1.00 0.00 H new ATOM 0 HB3 SER A 13 68.392 -7.028 -1.446 1.00 0.00 H new ATOM 0 HG SER A 13 67.794 -8.386 -3.243 1.00 0.00 H new ATOM 162 N GLN A 14 67.680 -4.995 -4.961 1.00 0.00 N ATOM 163 CA GLN A 14 67.852 -4.647 -6.409 1.00 0.00 C ATOM 164 C GLN A 14 67.485 -3.179 -6.641 1.00 0.00 C ATOM 165 O GLN A 14 67.666 -2.649 -7.718 1.00 0.00 O ATOM 166 CB GLN A 14 66.942 -5.537 -7.264 1.00 0.00 C ATOM 167 CG GLN A 14 67.367 -7.000 -7.111 1.00 0.00 C ATOM 168 CD GLN A 14 68.777 -7.190 -7.672 1.00 0.00 C ATOM 169 OE1 GLN A 14 69.089 -6.700 -8.737 1.00 0.00 O ATOM 170 NE2 GLN A 14 69.649 -7.879 -6.990 1.00 0.00 N ATOM 0 H GLN A 14 66.750 -5.323 -4.701 1.00 0.00 H new ATOM 0 HA GLN A 14 68.893 -4.808 -6.691 1.00 0.00 H new ATOM 0 HB2 GLN A 14 65.903 -5.415 -6.956 1.00 0.00 H new ATOM 0 HB3 GLN A 14 67.002 -5.238 -8.310 1.00 0.00 H new ATOM 0 HG2 GLN A 14 67.342 -7.288 -6.060 1.00 0.00 H new ATOM 0 HG3 GLN A 14 66.666 -7.649 -7.636 1.00 0.00 H new ATOM 0 HE21 GLN A 14 69.386 -8.291 -6.095 1.00 0.00 H new ATOM 0 HE22 GLN A 14 70.594 -8.006 -7.352 1.00 0.00 H new ATOM 179 N CYS A 15 66.971 -2.519 -5.642 1.00 0.00 N ATOM 180 CA CYS A 15 66.596 -1.088 -5.808 1.00 0.00 C ATOM 181 C CYS A 15 67.859 -0.231 -5.924 1.00 0.00 C ATOM 182 O CYS A 15 67.831 0.851 -6.476 1.00 0.00 O ATOM 183 CB CYS A 15 65.776 -0.629 -4.601 1.00 0.00 C ATOM 184 SG CYS A 15 65.051 0.991 -4.950 1.00 0.00 S ATOM 0 H CYS A 15 66.794 -2.909 -4.716 1.00 0.00 H new ATOM 0 HA CYS A 15 66.001 -0.977 -6.715 1.00 0.00 H new ATOM 0 HB2 CYS A 15 64.990 -1.353 -4.385 1.00 0.00 H new ATOM 0 HB3 CYS A 15 66.410 -0.573 -3.716 1.00 0.00 H new ATOM 0 HG CYS A 15 64.299 0.911 -6.007 1.00 0.00 H new ATOM 189 N ILE A 16 68.963 -0.701 -5.386 1.00 0.00 N ATOM 190 CA ILE A 16 70.242 0.085 -5.436 1.00 0.00 C ATOM 191 C ILE A 16 71.329 -0.716 -6.158 1.00 0.00 C ATOM 192 O ILE A 16 71.329 -1.931 -6.156 1.00 0.00 O ATOM 193 CB ILE A 16 70.708 0.377 -4.005 1.00 0.00 C ATOM 194 CG1 ILE A 16 70.801 -0.949 -3.181 1.00 0.00 C ATOM 195 CG2 ILE A 16 69.713 1.344 -3.349 1.00 0.00 C ATOM 196 CD1 ILE A 16 72.204 -1.100 -2.579 1.00 0.00 C ATOM 0 H ILE A 16 69.033 -1.601 -4.911 1.00 0.00 H new ATOM 0 HA ILE A 16 70.065 1.016 -5.975 1.00 0.00 H new ATOM 0 HB ILE A 16 71.699 0.830 -4.028 1.00 0.00 H new ATOM 0 HG12 ILE A 16 70.055 -0.945 -2.387 1.00 0.00 H new ATOM 0 HG13 ILE A 16 70.579 -1.801 -3.823 1.00 0.00 H new ATOM 0 HG21 ILE A 16 70.033 1.560 -2.330 1.00 0.00 H new ATOM 0 HG22 ILE A 16 69.675 2.271 -3.921 1.00 0.00 H new ATOM 0 HG23 ILE A 16 68.723 0.889 -3.329 1.00 0.00 H new ATOM 0 HD11 ILE A 16 72.257 -2.027 -2.008 1.00 0.00 H new ATOM 0 HD12 ILE A 16 72.943 -1.125 -3.380 1.00 0.00 H new ATOM 0 HD13 ILE A 16 72.410 -0.256 -1.921 1.00 0.00 H new ATOM 208 N LYS A 17 72.253 -0.026 -6.785 1.00 0.00 N ATOM 209 CA LYS A 17 73.360 -0.704 -7.534 1.00 0.00 C ATOM 210 C LYS A 17 74.710 -0.319 -6.917 1.00 0.00 C ATOM 211 O LYS A 17 74.941 0.825 -6.576 1.00 0.00 O ATOM 212 CB LYS A 17 73.304 -0.240 -8.990 1.00 0.00 C ATOM 213 CG LYS A 17 72.060 -0.839 -9.652 1.00 0.00 C ATOM 214 CD LYS A 17 71.976 -0.392 -11.114 1.00 0.00 C ATOM 215 CE LYS A 17 70.729 -0.998 -11.762 1.00 0.00 C ATOM 216 NZ LYS A 17 70.608 -0.502 -13.160 1.00 0.00 N ATOM 0 H LYS A 17 72.287 0.993 -6.810 1.00 0.00 H new ATOM 0 HA LYS A 17 73.247 -1.787 -7.480 1.00 0.00 H new ATOM 0 HB2 LYS A 17 73.270 0.848 -9.038 1.00 0.00 H new ATOM 0 HB3 LYS A 17 74.202 -0.555 -9.521 1.00 0.00 H new ATOM 0 HG2 LYS A 17 72.098 -1.927 -9.598 1.00 0.00 H new ATOM 0 HG3 LYS A 17 71.165 -0.524 -9.115 1.00 0.00 H new ATOM 0 HD2 LYS A 17 71.936 0.696 -11.171 1.00 0.00 H new ATOM 0 HD3 LYS A 17 72.869 -0.707 -11.654 1.00 0.00 H new ATOM 0 HE2 LYS A 17 70.794 -2.086 -11.755 1.00 0.00 H new ATOM 0 HE3 LYS A 17 69.841 -0.728 -11.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 69.761 -0.913 -13.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 70.527 0.535 -13.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 71.451 -0.781 -13.702 1.00 0.00 H new ATOM 230 N GLN A 18 75.600 -1.269 -6.756 1.00 0.00 N ATOM 231 CA GLN A 18 76.934 -0.965 -6.143 1.00 0.00 C ATOM 232 C GLN A 18 78.001 -0.829 -7.231 1.00 0.00 C ATOM 233 O GLN A 18 78.248 -1.750 -7.984 1.00 0.00 O ATOM 234 CB GLN A 18 77.325 -2.111 -5.210 1.00 0.00 C ATOM 235 CG GLN A 18 78.621 -1.759 -4.475 1.00 0.00 C ATOM 236 CD GLN A 18 78.966 -2.880 -3.492 1.00 0.00 C ATOM 237 OE1 GLN A 18 78.182 -3.787 -3.288 1.00 0.00 O ATOM 238 NE2 GLN A 18 80.108 -2.849 -2.859 1.00 0.00 N ATOM 0 H GLN A 18 75.461 -2.244 -7.023 1.00 0.00 H new ATOM 0 HA GLN A 18 76.865 -0.028 -5.590 1.00 0.00 H new ATOM 0 HB2 GLN A 18 76.527 -2.296 -4.491 1.00 0.00 H new ATOM 0 HB3 GLN A 18 77.458 -3.029 -5.782 1.00 0.00 H new ATOM 0 HG2 GLN A 18 79.433 -1.624 -5.190 1.00 0.00 H new ATOM 0 HG3 GLN A 18 78.505 -0.815 -3.942 1.00 0.00 H new ATOM 0 HE21 GLN A 18 80.766 -2.088 -3.030 1.00 0.00 H new ATOM 0 HE22 GLN A 18 80.342 -3.586 -2.193 1.00 0.00 H new ATOM 247 N SER A 19 78.653 0.306 -7.300 1.00 0.00 N ATOM 248 CA SER A 19 79.736 0.517 -8.312 1.00 0.00 C ATOM 249 C SER A 19 81.023 0.848 -7.558 1.00 0.00 C ATOM 250 O SER A 19 81.047 1.731 -6.725 1.00 0.00 O ATOM 251 CB SER A 19 79.363 1.684 -9.228 1.00 0.00 C ATOM 252 OG SER A 19 79.409 2.895 -8.486 1.00 0.00 O ATOM 0 H SER A 19 78.479 1.105 -6.691 1.00 0.00 H new ATOM 0 HA SER A 19 79.869 -0.377 -8.921 1.00 0.00 H new ATOM 0 HB2 SER A 19 80.052 1.734 -10.071 1.00 0.00 H new ATOM 0 HB3 SER A 19 78.365 1.534 -9.640 1.00 0.00 H new ATOM 0 HG SER A 19 79.905 2.750 -7.654 1.00 0.00 H new ATOM 258 N GLY A 20 82.092 0.152 -7.824 1.00 0.00 N ATOM 259 CA GLY A 20 83.356 0.452 -7.095 1.00 0.00 C ATOM 260 C GLY A 20 83.088 0.405 -5.586 1.00 0.00 C ATOM 261 O GLY A 20 82.838 -0.643 -5.023 1.00 0.00 O ATOM 0 H GLY A 20 82.147 -0.604 -8.507 1.00 0.00 H new ATOM 0 HA2 GLY A 20 84.126 -0.272 -7.363 1.00 0.00 H new ATOM 0 HA3 GLY A 20 83.730 1.435 -7.380 1.00 0.00 H new ATOM 265 N VAL A 21 83.140 1.538 -4.930 1.00 0.00 N ATOM 266 CA VAL A 21 82.891 1.589 -3.451 1.00 0.00 C ATOM 267 C VAL A 21 81.830 2.640 -3.147 1.00 0.00 C ATOM 268 O VAL A 21 81.905 3.330 -2.157 1.00 0.00 O ATOM 269 CB VAL A 21 84.181 1.962 -2.728 1.00 0.00 C ATOM 270 CG1 VAL A 21 85.236 0.896 -3.002 1.00 0.00 C ATOM 271 CG2 VAL A 21 84.674 3.319 -3.232 1.00 0.00 C ATOM 0 H VAL A 21 83.346 2.440 -5.359 1.00 0.00 H new ATOM 0 HA VAL A 21 82.548 0.611 -3.112 1.00 0.00 H new ATOM 0 HB VAL A 21 83.997 2.024 -1.655 1.00 0.00 H new ATOM 0 HG11 VAL A 21 86.160 1.158 -2.487 1.00 0.00 H new ATOM 0 HG12 VAL A 21 84.881 -0.069 -2.641 1.00 0.00 H new ATOM 0 HG13 VAL A 21 85.422 0.836 -4.074 1.00 0.00 H new ATOM 0 HG21 VAL A 21 85.596 3.586 -2.715 1.00 0.00 H new ATOM 0 HG22 VAL A 21 84.862 3.262 -4.304 1.00 0.00 H new ATOM 0 HG23 VAL A 21 83.916 4.077 -3.036 1.00 0.00 H new ATOM 281 N GLN A 22 80.850 2.774 -4.001 1.00 0.00 N ATOM 282 CA GLN A 22 79.766 3.785 -3.771 1.00 0.00 C ATOM 283 C GLN A 22 78.391 3.151 -3.960 1.00 0.00 C ATOM 284 O GLN A 22 78.242 2.132 -4.605 1.00 0.00 O ATOM 285 CB GLN A 22 79.923 4.948 -4.747 1.00 0.00 C ATOM 286 CG GLN A 22 81.137 5.772 -4.340 1.00 0.00 C ATOM 287 CD GLN A 22 81.397 6.848 -5.393 1.00 0.00 C ATOM 288 OE1 GLN A 22 80.741 6.886 -6.413 1.00 0.00 O ATOM 289 NE2 GLN A 22 82.338 7.727 -5.189 1.00 0.00 N ATOM 0 H GLN A 22 80.750 2.225 -4.855 1.00 0.00 H new ATOM 0 HA GLN A 22 79.850 4.151 -2.748 1.00 0.00 H new ATOM 0 HB2 GLN A 22 80.045 4.573 -5.763 1.00 0.00 H new ATOM 0 HB3 GLN A 22 79.027 5.569 -4.741 1.00 0.00 H new ATOM 0 HG2 GLN A 22 80.967 6.233 -3.367 1.00 0.00 H new ATOM 0 HG3 GLN A 22 82.010 5.128 -4.239 1.00 0.00 H new ATOM 0 HE21 GLN A 22 82.889 7.694 -4.331 1.00 0.00 H new ATOM 0 HE22 GLN A 22 82.523 8.447 -5.887 1.00 0.00 H new ATOM 298 N TYR A 23 77.383 3.779 -3.411 1.00 0.00 N ATOM 299 CA TYR A 23 75.980 3.271 -3.547 1.00 0.00 C ATOM 300 C TYR A 23 75.142 4.341 -4.247 1.00 0.00 C ATOM 301 O TYR A 23 75.299 5.521 -3.998 1.00 0.00 O ATOM 302 CB TYR A 23 75.382 2.994 -2.160 1.00 0.00 C ATOM 303 CG TYR A 23 76.023 1.765 -1.548 1.00 0.00 C ATOM 304 CD1 TYR A 23 75.849 0.513 -2.157 1.00 0.00 C ATOM 305 CD2 TYR A 23 76.774 1.868 -0.365 1.00 0.00 C ATOM 306 CE1 TYR A 23 76.425 -0.629 -1.589 1.00 0.00 C ATOM 307 CE2 TYR A 23 77.350 0.723 0.201 1.00 0.00 C ATOM 308 CZ TYR A 23 77.174 -0.524 -0.411 1.00 0.00 C ATOM 309 OH TYR A 23 77.739 -1.651 0.149 1.00 0.00 O ATOM 0 H TYR A 23 77.472 4.636 -2.865 1.00 0.00 H new ATOM 0 HA TYR A 23 75.981 2.346 -4.124 1.00 0.00 H new ATOM 0 HB2 TYR A 23 75.538 3.855 -1.511 1.00 0.00 H new ATOM 0 HB3 TYR A 23 74.305 2.848 -2.243 1.00 0.00 H new ATOM 0 HD1 TYR A 23 75.270 0.431 -3.065 1.00 0.00 H new ATOM 0 HD2 TYR A 23 76.907 2.830 0.108 1.00 0.00 H new ATOM 0 HE1 TYR A 23 76.292 -1.592 -2.060 1.00 0.00 H new ATOM 0 HE2 TYR A 23 77.929 0.802 1.109 1.00 0.00 H new ATOM 0 HH TYR A 23 78.101 -1.431 1.033 1.00 0.00 H new ATOM 319 N THR A 24 74.266 3.943 -5.137 1.00 0.00 N ATOM 320 CA THR A 24 73.423 4.936 -5.875 1.00 0.00 C ATOM 321 C THR A 24 71.969 4.459 -5.909 1.00 0.00 C ATOM 322 O THR A 24 71.690 3.276 -5.875 1.00 0.00 O ATOM 323 CB THR A 24 73.954 5.069 -7.308 1.00 0.00 C ATOM 324 OG1 THR A 24 73.878 3.804 -7.955 1.00 0.00 O ATOM 325 CG2 THR A 24 75.413 5.551 -7.284 1.00 0.00 C ATOM 0 H THR A 24 74.098 2.968 -5.385 1.00 0.00 H new ATOM 0 HA THR A 24 73.467 5.902 -5.371 1.00 0.00 H new ATOM 0 HB THR A 24 73.350 5.796 -7.852 1.00 0.00 H new ATOM 0 HG1 THR A 24 74.215 3.885 -8.872 1.00 0.00 H new ATOM 0 HG21 THR A 24 75.783 5.643 -8.305 1.00 0.00 H new ATOM 0 HG22 THR A 24 75.468 6.521 -6.790 1.00 0.00 H new ATOM 0 HG23 THR A 24 76.025 4.832 -6.740 1.00 0.00 H new ATOM 333 N TYR A 25 71.039 5.377 -5.967 1.00 0.00 N ATOM 334 CA TYR A 25 69.595 4.991 -5.995 1.00 0.00 C ATOM 335 C TYR A 25 69.163 4.750 -7.445 1.00 0.00 C ATOM 336 O TYR A 25 69.286 5.613 -8.290 1.00 0.00 O ATOM 337 CB TYR A 25 68.757 6.126 -5.398 1.00 0.00 C ATOM 338 CG TYR A 25 67.340 5.654 -5.193 1.00 0.00 C ATOM 339 CD1 TYR A 25 66.985 5.039 -3.990 1.00 0.00 C ATOM 340 CD2 TYR A 25 66.382 5.825 -6.200 1.00 0.00 C ATOM 341 CE1 TYR A 25 65.674 4.593 -3.789 1.00 0.00 C ATOM 342 CE2 TYR A 25 65.071 5.378 -6.001 1.00 0.00 C ATOM 343 CZ TYR A 25 64.718 4.762 -4.796 1.00 0.00 C ATOM 344 OH TYR A 25 63.426 4.319 -4.600 1.00 0.00 O ATOM 0 H TYR A 25 71.217 6.381 -5.996 1.00 0.00 H new ATOM 0 HA TYR A 25 69.447 4.081 -5.413 1.00 0.00 H new ATOM 0 HB2 TYR A 25 69.185 6.447 -4.448 1.00 0.00 H new ATOM 0 HB3 TYR A 25 68.771 6.990 -6.062 1.00 0.00 H new ATOM 0 HD1 TYR A 25 67.724 4.907 -3.213 1.00 0.00 H new ATOM 0 HD2 TYR A 25 66.655 6.302 -7.130 1.00 0.00 H new ATOM 0 HE1 TYR A 25 65.401 4.119 -2.858 1.00 0.00 H new ATOM 0 HE2 TYR A 25 64.332 5.509 -6.778 1.00 0.00 H new ATOM 0 HH TYR A 25 62.857 4.636 -5.332 1.00 0.00 H new ATOM 354 N ASN A 26 68.660 3.579 -7.737 1.00 0.00 N ATOM 355 CA ASN A 26 68.220 3.274 -9.130 1.00 0.00 C ATOM 356 C ASN A 26 66.811 3.822 -9.359 1.00 0.00 C ATOM 357 O ASN A 26 65.831 3.135 -9.157 1.00 0.00 O ATOM 358 CB ASN A 26 68.204 1.757 -9.336 1.00 0.00 C ATOM 359 CG ASN A 26 67.985 1.434 -10.818 1.00 0.00 C ATOM 360 OD1 ASN A 26 67.666 0.314 -11.165 1.00 0.00 O ATOM 361 ND2 ASN A 26 68.140 2.370 -11.716 1.00 0.00 N ATOM 0 H ASN A 26 68.535 2.819 -7.068 1.00 0.00 H new ATOM 0 HA ASN A 26 68.911 3.738 -9.834 1.00 0.00 H new ATOM 0 HB2 ASN A 26 69.145 1.325 -8.996 1.00 0.00 H new ATOM 0 HB3 ASN A 26 67.412 1.308 -8.736 1.00 0.00 H new ATOM 0 HD21 ASN A 26 67.993 2.159 -12.703 1.00 0.00 H new ATOM 0 HD22 ASN A 26 68.408 3.312 -11.430 1.00 0.00 H new ATOM 368 N SER A 27 66.697 5.052 -9.778 1.00 0.00 N ATOM 369 CA SER A 27 65.344 5.632 -10.018 1.00 0.00 C ATOM 370 C SER A 27 64.821 5.171 -11.383 1.00 0.00 C ATOM 371 O SER A 27 63.670 5.372 -11.716 1.00 0.00 O ATOM 372 CB SER A 27 65.420 7.158 -9.983 1.00 0.00 C ATOM 373 OG SER A 27 66.087 7.627 -11.150 1.00 0.00 O ATOM 0 H SER A 27 67.479 5.680 -9.964 1.00 0.00 H new ATOM 0 HA SER A 27 64.664 5.291 -9.237 1.00 0.00 H new ATOM 0 HB2 SER A 27 64.417 7.582 -9.929 1.00 0.00 H new ATOM 0 HB3 SER A 27 65.953 7.486 -9.090 1.00 0.00 H new ATOM 0 HG SER A 27 66.134 8.606 -11.129 1.00 0.00 H new ATOM 379 N GLY A 28 65.654 4.555 -12.177 1.00 0.00 N ATOM 380 CA GLY A 28 65.194 4.088 -13.518 1.00 0.00 C ATOM 381 C GLY A 28 63.989 3.161 -13.345 1.00 0.00 C ATOM 382 O GLY A 28 63.105 3.114 -14.178 1.00 0.00 O ATOM 0 H GLY A 28 66.630 4.355 -11.957 1.00 0.00 H new ATOM 0 HA2 GLY A 28 64.924 4.941 -14.140 1.00 0.00 H new ATOM 0 HA3 GLY A 28 66.001 3.563 -14.029 1.00 0.00 H new ATOM 386 N VAL A 29 63.935 2.431 -12.263 1.00 0.00 N ATOM 387 CA VAL A 29 62.773 1.522 -12.038 1.00 0.00 C ATOM 388 C VAL A 29 61.643 2.345 -11.408 1.00 0.00 C ATOM 389 O VAL A 29 61.762 2.843 -10.305 1.00 0.00 O ATOM 390 CB VAL A 29 63.183 0.377 -11.091 1.00 0.00 C ATOM 391 CG1 VAL A 29 63.837 -0.760 -11.891 1.00 0.00 C ATOM 392 CG2 VAL A 29 64.178 0.901 -10.040 1.00 0.00 C ATOM 0 H VAL A 29 64.642 2.424 -11.528 1.00 0.00 H new ATOM 0 HA VAL A 29 62.441 1.087 -12.981 1.00 0.00 H new ATOM 0 HB VAL A 29 62.292 -0.002 -10.591 1.00 0.00 H new ATOM 0 HG11 VAL A 29 64.123 -1.564 -11.213 1.00 0.00 H new ATOM 0 HG12 VAL A 29 63.129 -1.141 -12.627 1.00 0.00 H new ATOM 0 HG13 VAL A 29 64.723 -0.383 -12.401 1.00 0.00 H new ATOM 0 HG21 VAL A 29 64.465 0.088 -9.373 1.00 0.00 H new ATOM 0 HG22 VAL A 29 65.065 1.290 -10.541 1.00 0.00 H new ATOM 0 HG23 VAL A 29 63.710 1.697 -9.461 1.00 0.00 H new ATOM 402 N SER A 30 60.556 2.512 -12.113 1.00 0.00 N ATOM 403 CA SER A 30 59.421 3.322 -11.579 1.00 0.00 C ATOM 404 C SER A 30 58.883 2.726 -10.273 1.00 0.00 C ATOM 405 O SER A 30 58.522 3.444 -9.364 1.00 0.00 O ATOM 406 CB SER A 30 58.292 3.369 -12.609 1.00 0.00 C ATOM 407 OG SER A 30 58.763 3.978 -13.803 1.00 0.00 O ATOM 0 H SER A 30 60.404 2.120 -13.042 1.00 0.00 H new ATOM 0 HA SER A 30 59.789 4.328 -11.379 1.00 0.00 H new ATOM 0 HB2 SER A 30 57.935 2.361 -12.819 1.00 0.00 H new ATOM 0 HB3 SER A 30 57.446 3.930 -12.211 1.00 0.00 H new ATOM 0 HG SER A 30 58.039 4.006 -14.463 1.00 0.00 H new ATOM 413 N VAL A 31 58.788 1.428 -10.181 1.00 0.00 N ATOM 414 CA VAL A 31 58.228 0.817 -8.938 1.00 0.00 C ATOM 415 C VAL A 31 58.951 1.355 -7.698 1.00 0.00 C ATOM 416 O VAL A 31 58.333 1.627 -6.687 1.00 0.00 O ATOM 417 CB VAL A 31 58.379 -0.711 -8.994 1.00 0.00 C ATOM 418 CG1 VAL A 31 57.358 -1.298 -9.972 1.00 0.00 C ATOM 419 CG2 VAL A 31 59.794 -1.082 -9.456 1.00 0.00 C ATOM 0 H VAL A 31 59.071 0.767 -10.905 1.00 0.00 H new ATOM 0 HA VAL A 31 57.172 1.079 -8.871 1.00 0.00 H new ATOM 0 HB VAL A 31 58.206 -1.118 -7.998 1.00 0.00 H new ATOM 0 HG11 VAL A 31 57.470 -2.382 -10.008 1.00 0.00 H new ATOM 0 HG12 VAL A 31 56.350 -1.048 -9.640 1.00 0.00 H new ATOM 0 HG13 VAL A 31 57.526 -0.883 -10.966 1.00 0.00 H new ATOM 0 HG21 VAL A 31 59.892 -2.167 -9.493 1.00 0.00 H new ATOM 0 HG22 VAL A 31 59.973 -0.668 -10.448 1.00 0.00 H new ATOM 0 HG23 VAL A 31 60.524 -0.675 -8.756 1.00 0.00 H new ATOM 429 N CYS A 32 60.243 1.512 -7.753 1.00 0.00 N ATOM 430 CA CYS A 32 60.968 2.033 -6.555 1.00 0.00 C ATOM 431 C CYS A 32 60.620 3.513 -6.337 1.00 0.00 C ATOM 432 O CYS A 32 60.352 3.949 -5.228 1.00 0.00 O ATOM 433 CB CYS A 32 62.474 1.891 -6.784 1.00 0.00 C ATOM 434 SG CYS A 32 62.951 0.157 -6.578 1.00 0.00 S ATOM 0 H CYS A 32 60.826 1.306 -8.564 1.00 0.00 H new ATOM 0 HA CYS A 32 60.671 1.465 -5.674 1.00 0.00 H new ATOM 0 HB2 CYS A 32 62.735 2.235 -7.785 1.00 0.00 H new ATOM 0 HB3 CYS A 32 63.021 2.517 -6.079 1.00 0.00 H new ATOM 0 HG CYS A 32 63.603 0.016 -5.462 1.00 0.00 H new ATOM 439 N MET A 33 60.614 4.290 -7.384 1.00 0.00 N ATOM 440 CA MET A 33 60.284 5.733 -7.232 1.00 0.00 C ATOM 441 C MET A 33 58.765 5.909 -7.169 1.00 0.00 C ATOM 442 O MET A 33 58.268 6.955 -6.798 1.00 0.00 O ATOM 443 CB MET A 33 60.850 6.497 -8.430 1.00 0.00 C ATOM 444 CG MET A 33 60.529 7.988 -8.302 1.00 0.00 C ATOM 445 SD MET A 33 61.653 8.930 -9.359 1.00 0.00 S ATOM 446 CE MET A 33 62.989 9.116 -8.151 1.00 0.00 C ATOM 0 H MET A 33 60.823 3.989 -8.336 1.00 0.00 H new ATOM 0 HA MET A 33 60.721 6.120 -6.312 1.00 0.00 H new ATOM 0 HB2 MET A 33 61.929 6.353 -8.486 1.00 0.00 H new ATOM 0 HB3 MET A 33 60.427 6.104 -9.355 1.00 0.00 H new ATOM 0 HG2 MET A 33 59.495 8.176 -8.591 1.00 0.00 H new ATOM 0 HG3 MET A 33 60.633 8.307 -7.265 1.00 0.00 H new ATOM 0 HE1 MET A 33 63.894 9.452 -8.658 1.00 0.00 H new ATOM 0 HE2 MET A 33 62.700 9.850 -7.399 1.00 0.00 H new ATOM 0 HE3 MET A 33 63.179 8.157 -7.668 1.00 0.00 H new ATOM 456 N GLN A 34 58.022 4.889 -7.509 1.00 0.00 N ATOM 457 CA GLN A 34 56.539 5.003 -7.448 1.00 0.00 C ATOM 458 C GLN A 34 56.138 5.279 -5.999 1.00 0.00 C ATOM 459 O GLN A 34 55.269 6.080 -5.722 1.00 0.00 O ATOM 460 CB GLN A 34 55.900 3.698 -7.928 1.00 0.00 C ATOM 461 CG GLN A 34 54.375 3.809 -7.866 1.00 0.00 C ATOM 462 CD GLN A 34 53.756 2.547 -8.465 1.00 0.00 C ATOM 463 OE1 GLN A 34 54.447 1.741 -9.056 1.00 0.00 O ATOM 464 NE2 GLN A 34 52.477 2.332 -8.327 1.00 0.00 N ATOM 0 H GLN A 34 58.378 3.987 -7.825 1.00 0.00 H new ATOM 0 HA GLN A 34 56.196 5.814 -8.091 1.00 0.00 H new ATOM 0 HB2 GLN A 34 56.216 3.482 -8.949 1.00 0.00 H new ATOM 0 HB3 GLN A 34 56.238 2.868 -7.308 1.00 0.00 H new ATOM 0 HG2 GLN A 34 54.049 3.934 -6.833 1.00 0.00 H new ATOM 0 HG3 GLN A 34 54.040 4.689 -8.415 1.00 0.00 H new ATOM 0 HE21 GLN A 34 51.897 3.008 -7.831 1.00 0.00 H new ATOM 0 HE22 GLN A 34 52.057 1.487 -8.715 1.00 0.00 H new ATOM 473 N GLY A 35 56.787 4.633 -5.071 1.00 0.00 N ATOM 474 CA GLY A 35 56.471 4.866 -3.635 1.00 0.00 C ATOM 475 C GLY A 35 57.083 6.196 -3.198 1.00 0.00 C ATOM 476 O GLY A 35 56.482 6.950 -2.457 1.00 0.00 O ATOM 0 H GLY A 35 57.525 3.951 -5.246 1.00 0.00 H new ATOM 0 HA2 GLY A 35 55.391 4.882 -3.485 1.00 0.00 H new ATOM 0 HA3 GLY A 35 56.866 4.052 -3.026 1.00 0.00 H new ATOM 480 N LEU A 36 58.276 6.496 -3.647 1.00 0.00 N ATOM 481 CA LEU A 36 58.909 7.785 -3.249 1.00 0.00 C ATOM 482 C LEU A 36 58.009 8.931 -3.719 1.00 0.00 C ATOM 483 O LEU A 36 57.768 9.883 -3.004 1.00 0.00 O ATOM 484 CB LEU A 36 60.284 7.899 -3.925 1.00 0.00 C ATOM 485 CG LEU A 36 61.052 9.129 -3.392 1.00 0.00 C ATOM 486 CD1 LEU A 36 61.767 8.786 -2.076 1.00 0.00 C ATOM 487 CD2 LEU A 36 62.093 9.575 -4.429 1.00 0.00 C ATOM 0 H LEU A 36 58.833 5.908 -4.267 1.00 0.00 H new ATOM 0 HA LEU A 36 59.035 7.830 -2.167 1.00 0.00 H new ATOM 0 HB2 LEU A 36 60.862 6.994 -3.740 1.00 0.00 H new ATOM 0 HB3 LEU A 36 60.159 7.982 -5.005 1.00 0.00 H new ATOM 0 HG LEU A 36 60.339 9.933 -3.211 1.00 0.00 H new ATOM 0 HD11 LEU A 36 62.303 9.663 -1.714 1.00 0.00 H new ATOM 0 HD12 LEU A 36 61.032 8.477 -1.332 1.00 0.00 H new ATOM 0 HD13 LEU A 36 62.474 7.974 -2.247 1.00 0.00 H new ATOM 0 HD21 LEU A 36 62.634 10.443 -4.052 1.00 0.00 H new ATOM 0 HD22 LEU A 36 62.795 8.762 -4.613 1.00 0.00 H new ATOM 0 HD23 LEU A 36 61.590 9.838 -5.360 1.00 0.00 H new ATOM 499 N ASN A 37 57.511 8.838 -4.922 1.00 0.00 N ATOM 500 CA ASN A 37 56.621 9.906 -5.457 1.00 0.00 C ATOM 501 C ASN A 37 55.356 10.006 -4.597 1.00 0.00 C ATOM 502 O ASN A 37 54.865 11.082 -4.319 1.00 0.00 O ATOM 503 CB ASN A 37 56.233 9.551 -6.894 1.00 0.00 C ATOM 504 CG ASN A 37 55.339 10.649 -7.477 1.00 0.00 C ATOM 505 OD1 ASN A 37 55.618 11.821 -7.321 1.00 0.00 O ATOM 506 ND2 ASN A 37 54.269 10.319 -8.151 1.00 0.00 N ATOM 0 H ASN A 37 57.684 8.062 -5.561 1.00 0.00 H new ATOM 0 HA ASN A 37 57.142 10.863 -5.437 1.00 0.00 H new ATOM 0 HB2 ASN A 37 57.129 9.437 -7.504 1.00 0.00 H new ATOM 0 HB3 ASN A 37 55.710 8.595 -6.913 1.00 0.00 H new ATOM 0 HD21 ASN A 37 53.670 11.045 -8.545 1.00 0.00 H new ATOM 0 HD22 ASN A 37 54.033 9.336 -8.283 1.00 0.00 H new ATOM 513 N GLU A 38 54.821 8.886 -4.183 1.00 0.00 N ATOM 514 CA GLU A 38 53.581 8.903 -3.353 1.00 0.00 C ATOM 515 C GLU A 38 53.878 9.476 -1.967 1.00 0.00 C ATOM 516 O GLU A 38 53.011 10.035 -1.323 1.00 0.00 O ATOM 517 CB GLU A 38 53.034 7.480 -3.228 1.00 0.00 C ATOM 518 CG GLU A 38 52.470 7.033 -4.580 1.00 0.00 C ATOM 519 CD GLU A 38 52.020 5.572 -4.496 1.00 0.00 C ATOM 520 OE1 GLU A 38 51.006 5.321 -3.862 1.00 0.00 O ATOM 521 OE2 GLU A 38 52.694 4.729 -5.063 1.00 0.00 O ATOM 0 H GLU A 38 55.192 7.958 -4.385 1.00 0.00 H new ATOM 0 HA GLU A 38 52.836 9.536 -3.835 1.00 0.00 H new ATOM 0 HB2 GLU A 38 53.825 6.801 -2.909 1.00 0.00 H new ATOM 0 HB3 GLU A 38 52.255 7.443 -2.466 1.00 0.00 H new ATOM 0 HG2 GLU A 38 51.629 7.667 -4.861 1.00 0.00 H new ATOM 0 HG3 GLU A 38 53.227 7.146 -5.356 1.00 0.00 H new ATOM 528 N GLY A 39 55.094 9.363 -1.504 1.00 0.00 N ATOM 529 CA GLY A 39 55.434 9.925 -0.163 1.00 0.00 C ATOM 530 C GLY A 39 55.237 8.874 0.933 1.00 0.00 C ATOM 531 O GLY A 39 55.173 9.201 2.102 1.00 0.00 O ATOM 0 H GLY A 39 55.865 8.908 -1.993 1.00 0.00 H new ATOM 0 HA2 GLY A 39 56.468 10.271 -0.160 1.00 0.00 H new ATOM 0 HA3 GLY A 39 54.807 10.793 0.042 1.00 0.00 H new ATOM 535 N LYS A 40 55.175 7.611 0.583 1.00 0.00 N ATOM 536 CA LYS A 40 55.023 6.550 1.625 1.00 0.00 C ATOM 537 C LYS A 40 56.410 6.005 1.889 1.00 0.00 C ATOM 538 O LYS A 40 56.625 5.128 2.701 1.00 0.00 O ATOM 539 CB LYS A 40 54.113 5.427 1.116 1.00 0.00 C ATOM 540 CG LYS A 40 52.673 5.932 1.016 1.00 0.00 C ATOM 541 CD LYS A 40 51.730 4.755 0.728 1.00 0.00 C ATOM 542 CE LYS A 40 52.103 4.088 -0.602 1.00 0.00 C ATOM 543 NZ LYS A 40 50.900 3.412 -1.163 1.00 0.00 N ATOM 0 H LYS A 40 55.223 7.271 -0.378 1.00 0.00 H new ATOM 0 HA LYS A 40 54.573 6.956 2.531 1.00 0.00 H new ATOM 0 HB2 LYS A 40 54.456 5.083 0.140 1.00 0.00 H new ATOM 0 HB3 LYS A 40 54.162 4.572 1.791 1.00 0.00 H new ATOM 0 HG2 LYS A 40 52.384 6.423 1.945 1.00 0.00 H new ATOM 0 HG3 LYS A 40 52.593 6.677 0.224 1.00 0.00 H new ATOM 0 HD2 LYS A 40 51.788 4.027 1.537 1.00 0.00 H new ATOM 0 HD3 LYS A 40 50.699 5.107 0.690 1.00 0.00 H new ATOM 0 HE2 LYS A 40 52.477 4.833 -1.304 1.00 0.00 H new ATOM 0 HE3 LYS A 40 52.903 3.364 -0.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 51.146 2.957 -2.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 50.563 2.691 -0.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 50.150 4.114 -1.323 1.00 0.00 H new ATOM 557 N VAL A 41 57.357 6.543 1.178 1.00 0.00 N ATOM 558 CA VAL A 41 58.770 6.113 1.314 1.00 0.00 C ATOM 559 C VAL A 41 59.656 7.359 1.343 1.00 0.00 C ATOM 560 O VAL A 41 59.292 8.408 0.847 1.00 0.00 O ATOM 561 CB VAL A 41 59.139 5.251 0.109 1.00 0.00 C ATOM 562 CG1 VAL A 41 60.581 4.783 0.213 1.00 0.00 C ATOM 563 CG2 VAL A 41 58.199 4.035 0.033 1.00 0.00 C ATOM 0 H VAL A 41 57.205 7.282 0.491 1.00 0.00 H new ATOM 0 HA VAL A 41 58.910 5.539 2.230 1.00 0.00 H new ATOM 0 HB VAL A 41 59.031 5.849 -0.796 1.00 0.00 H new ATOM 0 HG11 VAL A 41 60.828 4.170 -0.654 1.00 0.00 H new ATOM 0 HG12 VAL A 41 61.243 5.648 0.246 1.00 0.00 H new ATOM 0 HG13 VAL A 41 60.708 4.195 1.122 1.00 0.00 H new ATOM 0 HG21 VAL A 41 58.466 3.422 -0.828 1.00 0.00 H new ATOM 0 HG22 VAL A 41 58.295 3.443 0.943 1.00 0.00 H new ATOM 0 HG23 VAL A 41 57.169 4.377 -0.070 1.00 0.00 H new ATOM 573 N ARG A 42 60.820 7.236 1.907 1.00 0.00 N ATOM 574 CA ARG A 42 61.776 8.389 1.977 1.00 0.00 C ATOM 575 C ARG A 42 63.010 8.037 1.160 1.00 0.00 C ATOM 576 O ARG A 42 63.866 8.860 0.905 1.00 0.00 O ATOM 577 CB ARG A 42 62.198 8.627 3.429 1.00 0.00 C ATOM 578 CG ARG A 42 60.979 8.987 4.275 1.00 0.00 C ATOM 579 CD ARG A 42 61.435 9.279 5.705 1.00 0.00 C ATOM 580 NE ARG A 42 60.258 9.636 6.545 1.00 0.00 N ATOM 581 CZ ARG A 42 60.424 9.897 7.813 1.00 0.00 C ATOM 582 NH1 ARG A 42 61.611 9.791 8.348 1.00 0.00 N ATOM 583 NH2 ARG A 42 59.406 10.251 8.549 1.00 0.00 N ATOM 0 H ARG A 42 61.162 6.374 2.332 1.00 0.00 H new ATOM 0 HA ARG A 42 61.298 9.288 1.589 1.00 0.00 H new ATOM 0 HB2 ARG A 42 62.677 7.733 3.828 1.00 0.00 H new ATOM 0 HB3 ARG A 42 62.933 9.430 3.476 1.00 0.00 H new ATOM 0 HG2 ARG A 42 60.473 9.857 3.856 1.00 0.00 H new ATOM 0 HG3 ARG A 42 60.261 8.167 4.269 1.00 0.00 H new ATOM 0 HD2 ARG A 42 61.940 8.407 6.121 1.00 0.00 H new ATOM 0 HD3 ARG A 42 62.156 10.096 5.707 1.00 0.00 H new ATOM 0 HE ARG A 42 59.327 9.676 6.131 1.00 0.00 H new ATOM 0 HH11 ARG A 42 62.405 9.505 7.775 1.00 0.00 H new ATOM 0 HH12 ARG A 42 61.744 9.994 9.339 1.00 0.00 H new ATOM 0 HH21 ARG A 42 58.477 10.324 8.134 1.00 0.00 H new ATOM 0 HH22 ARG A 42 59.539 10.454 9.540 1.00 0.00 H new ATOM 597 N GLY A 43 63.101 6.804 0.758 1.00 0.00 N ATOM 598 CA GLY A 43 64.278 6.347 -0.044 1.00 0.00 C ATOM 599 C GLY A 43 64.682 4.960 0.446 1.00 0.00 C ATOM 600 O GLY A 43 63.855 4.214 0.934 1.00 0.00 O ATOM 0 H GLY A 43 62.406 6.082 0.950 1.00 0.00 H new ATOM 0 HA2 GLY A 43 64.026 6.317 -1.104 1.00 0.00 H new ATOM 0 HA3 GLY A 43 65.107 7.045 0.067 1.00 0.00 H new ATOM 604 N VAL A 44 65.937 4.593 0.323 1.00 0.00 N ATOM 605 CA VAL A 44 66.378 3.238 0.786 1.00 0.00 C ATOM 606 C VAL A 44 67.537 3.384 1.774 1.00 0.00 C ATOM 607 O VAL A 44 68.515 4.052 1.507 1.00 0.00 O ATOM 608 CB VAL A 44 66.871 2.438 -0.421 1.00 0.00 C ATOM 609 CG1 VAL A 44 68.063 3.163 -1.071 1.00 0.00 C ATOM 610 CG2 VAL A 44 67.300 1.042 0.044 1.00 0.00 C ATOM 0 H VAL A 44 66.674 5.173 -0.078 1.00 0.00 H new ATOM 0 HA VAL A 44 65.542 2.731 1.267 1.00 0.00 H new ATOM 0 HB VAL A 44 66.070 2.347 -1.154 1.00 0.00 H new ATOM 0 HG11 VAL A 44 68.412 2.591 -1.931 1.00 0.00 H new ATOM 0 HG12 VAL A 44 67.751 4.155 -1.398 1.00 0.00 H new ATOM 0 HG13 VAL A 44 68.871 3.257 -0.346 1.00 0.00 H new ATOM 0 HG21 VAL A 44 67.653 0.466 -0.812 1.00 0.00 H new ATOM 0 HG22 VAL A 44 68.103 1.133 0.776 1.00 0.00 H new ATOM 0 HG23 VAL A 44 66.450 0.533 0.499 1.00 0.00 H new ATOM 620 N SER A 45 67.435 2.750 2.908 1.00 0.00 N ATOM 621 CA SER A 45 68.527 2.828 3.917 1.00 0.00 C ATOM 622 C SER A 45 69.550 1.735 3.620 1.00 0.00 C ATOM 623 O SER A 45 69.197 0.599 3.369 1.00 0.00 O ATOM 624 CB SER A 45 67.946 2.608 5.314 1.00 0.00 C ATOM 625 OG SER A 45 68.962 2.110 6.172 1.00 0.00 O ATOM 0 H SER A 45 66.636 2.177 3.181 1.00 0.00 H new ATOM 0 HA SER A 45 69.003 3.808 3.873 1.00 0.00 H new ATOM 0 HB2 SER A 45 67.549 3.544 5.707 1.00 0.00 H new ATOM 0 HB3 SER A 45 67.115 1.904 5.268 1.00 0.00 H new ATOM 0 HG SER A 45 68.593 1.969 7.069 1.00 0.00 H new ATOM 631 N VAL A 46 70.817 2.065 3.650 1.00 0.00 N ATOM 632 CA VAL A 46 71.878 1.047 3.375 1.00 0.00 C ATOM 633 C VAL A 46 72.929 1.100 4.481 1.00 0.00 C ATOM 634 O VAL A 46 73.431 2.149 4.835 1.00 0.00 O ATOM 635 CB VAL A 46 72.541 1.346 2.025 1.00 0.00 C ATOM 636 CG1 VAL A 46 73.348 2.643 2.116 1.00 0.00 C ATOM 637 CG2 VAL A 46 73.478 0.196 1.647 1.00 0.00 C ATOM 0 H VAL A 46 71.164 3.002 3.855 1.00 0.00 H new ATOM 0 HA VAL A 46 71.429 0.054 3.345 1.00 0.00 H new ATOM 0 HB VAL A 46 71.766 1.454 1.266 1.00 0.00 H new ATOM 0 HG11 VAL A 46 73.816 2.849 1.153 1.00 0.00 H new ATOM 0 HG12 VAL A 46 72.685 3.466 2.380 1.00 0.00 H new ATOM 0 HG13 VAL A 46 74.119 2.539 2.879 1.00 0.00 H new ATOM 0 HG21 VAL A 46 73.948 0.410 0.687 1.00 0.00 H new ATOM 0 HG22 VAL A 46 74.247 0.087 2.412 1.00 0.00 H new ATOM 0 HG23 VAL A 46 72.907 -0.729 1.573 1.00 0.00 H new ATOM 647 N SER A 47 73.268 -0.039 5.016 1.00 0.00 N ATOM 648 CA SER A 47 74.298 -0.113 6.094 1.00 0.00 C ATOM 649 C SER A 47 75.418 -1.023 5.598 1.00 0.00 C ATOM 650 O SER A 47 75.184 -1.919 4.811 1.00 0.00 O ATOM 651 CB SER A 47 73.674 -0.706 7.358 1.00 0.00 C ATOM 652 OG SER A 47 73.497 -2.105 7.184 1.00 0.00 O ATOM 0 H SER A 47 72.869 -0.939 4.748 1.00 0.00 H new ATOM 0 HA SER A 47 74.684 0.879 6.328 1.00 0.00 H new ATOM 0 HB2 SER A 47 74.315 -0.513 8.218 1.00 0.00 H new ATOM 0 HB3 SER A 47 72.715 -0.229 7.562 1.00 0.00 H new ATOM 0 HG SER A 47 73.099 -2.488 7.994 1.00 0.00 H new ATOM 658 N GLY A 48 76.634 -0.798 6.023 1.00 0.00 N ATOM 659 CA GLY A 48 77.762 -1.661 5.535 1.00 0.00 C ATOM 660 C GLY A 48 78.740 -1.965 6.668 1.00 0.00 C ATOM 661 O GLY A 48 79.005 -1.137 7.515 1.00 0.00 O ATOM 0 H GLY A 48 76.898 -0.063 6.680 1.00 0.00 H new ATOM 0 HA2 GLY A 48 77.365 -2.592 5.131 1.00 0.00 H new ATOM 0 HA3 GLY A 48 78.285 -1.158 4.722 1.00 0.00 H new ATOM 665 N VAL A 49 79.297 -3.152 6.672 1.00 0.00 N ATOM 666 CA VAL A 49 80.287 -3.534 7.730 1.00 0.00 C ATOM 667 C VAL A 49 81.574 -4.033 7.067 1.00 0.00 C ATOM 668 O VAL A 49 81.550 -4.907 6.224 1.00 0.00 O ATOM 669 CB VAL A 49 79.714 -4.656 8.603 1.00 0.00 C ATOM 670 CG1 VAL A 49 80.775 -5.101 9.613 1.00 0.00 C ATOM 671 CG2 VAL A 49 78.476 -4.154 9.357 1.00 0.00 C ATOM 0 H VAL A 49 79.107 -3.879 5.982 1.00 0.00 H new ATOM 0 HA VAL A 49 80.498 -2.662 8.349 1.00 0.00 H new ATOM 0 HB VAL A 49 79.430 -5.495 7.968 1.00 0.00 H new ATOM 0 HG11 VAL A 49 80.372 -5.899 10.236 1.00 0.00 H new ATOM 0 HG12 VAL A 49 81.654 -5.465 9.081 1.00 0.00 H new ATOM 0 HG13 VAL A 49 81.056 -4.256 10.242 1.00 0.00 H new ATOM 0 HG21 VAL A 49 78.075 -4.958 9.975 1.00 0.00 H new ATOM 0 HG22 VAL A 49 78.753 -3.312 9.992 1.00 0.00 H new ATOM 0 HG23 VAL A 49 77.719 -3.835 8.641 1.00 0.00 H new ATOM 681 N PHE A 50 82.703 -3.498 7.464 1.00 0.00 N ATOM 682 CA PHE A 50 84.009 -3.943 6.890 1.00 0.00 C ATOM 683 C PHE A 50 84.690 -4.874 7.902 1.00 0.00 C ATOM 684 O PHE A 50 84.962 -4.493 9.023 1.00 0.00 O ATOM 685 CB PHE A 50 84.904 -2.716 6.627 1.00 0.00 C ATOM 686 CG PHE A 50 84.542 -2.076 5.300 1.00 0.00 C ATOM 687 CD1 PHE A 50 84.985 -2.667 4.110 1.00 0.00 C ATOM 688 CD2 PHE A 50 83.776 -0.897 5.252 1.00 0.00 C ATOM 689 CE1 PHE A 50 84.667 -2.087 2.878 1.00 0.00 C ATOM 690 CE2 PHE A 50 83.462 -0.320 4.016 1.00 0.00 C ATOM 691 CZ PHE A 50 83.906 -0.914 2.830 1.00 0.00 C ATOM 0 H PHE A 50 82.775 -2.764 8.169 1.00 0.00 H new ATOM 0 HA PHE A 50 83.847 -4.468 5.949 1.00 0.00 H new ATOM 0 HB2 PHE A 50 84.785 -1.991 7.433 1.00 0.00 H new ATOM 0 HB3 PHE A 50 85.952 -3.016 6.620 1.00 0.00 H new ATOM 0 HD1 PHE A 50 85.573 -3.572 4.144 1.00 0.00 H new ATOM 0 HD2 PHE A 50 83.431 -0.438 6.167 1.00 0.00 H new ATOM 0 HE1 PHE A 50 85.009 -2.545 1.962 1.00 0.00 H new ATOM 0 HE2 PHE A 50 82.875 0.586 3.978 1.00 0.00 H new ATOM 0 HZ PHE A 50 83.661 -0.467 1.878 1.00 0.00 H new ATOM 701 N TYR A 51 84.960 -6.094 7.516 1.00 0.00 N ATOM 702 CA TYR A 51 85.618 -7.056 8.454 1.00 0.00 C ATOM 703 C TYR A 51 87.127 -7.047 8.211 1.00 0.00 C ATOM 704 O TYR A 51 87.583 -7.231 7.099 1.00 0.00 O ATOM 705 CB TYR A 51 85.072 -8.463 8.195 1.00 0.00 C ATOM 706 CG TYR A 51 83.669 -8.579 8.748 1.00 0.00 C ATOM 707 CD1 TYR A 51 82.583 -8.095 8.007 1.00 0.00 C ATOM 708 CD2 TYR A 51 83.453 -9.180 9.996 1.00 0.00 C ATOM 709 CE1 TYR A 51 81.281 -8.209 8.514 1.00 0.00 C ATOM 710 CE2 TYR A 51 82.151 -9.293 10.502 1.00 0.00 C ATOM 711 CZ TYR A 51 81.066 -8.808 9.761 1.00 0.00 C ATOM 712 OH TYR A 51 79.783 -8.920 10.260 1.00 0.00 O ATOM 0 H TYR A 51 84.753 -6.468 6.590 1.00 0.00 H new ATOM 0 HA TYR A 51 85.412 -6.765 9.484 1.00 0.00 H new ATOM 0 HB2 TYR A 51 85.069 -8.670 7.125 1.00 0.00 H new ATOM 0 HB3 TYR A 51 85.719 -9.206 8.662 1.00 0.00 H new ATOM 0 HD1 TYR A 51 82.749 -7.634 7.045 1.00 0.00 H new ATOM 0 HD2 TYR A 51 84.289 -9.556 10.567 1.00 0.00 H new ATOM 0 HE1 TYR A 51 80.444 -7.835 7.943 1.00 0.00 H new ATOM 0 HE2 TYR A 51 81.984 -9.754 11.464 1.00 0.00 H new ATOM 0 HH TYR A 51 79.810 -9.360 11.135 1.00 0.00 H new ATOM 722 N TYR A 52 87.907 -6.831 9.241 1.00 0.00 N ATOM 723 CA TYR A 52 89.395 -6.806 9.082 1.00 0.00 C ATOM 724 C TYR A 52 89.994 -8.048 9.744 1.00 0.00 C ATOM 725 O TYR A 52 89.746 -8.314 10.903 1.00 0.00 O ATOM 726 CB TYR A 52 89.953 -5.555 9.771 1.00 0.00 C ATOM 727 CG TYR A 52 89.260 -4.325 9.228 1.00 0.00 C ATOM 728 CD1 TYR A 52 89.450 -3.946 7.894 1.00 0.00 C ATOM 729 CD2 TYR A 52 88.425 -3.563 10.059 1.00 0.00 C ATOM 730 CE1 TYR A 52 88.805 -2.810 7.390 1.00 0.00 C ATOM 731 CE2 TYR A 52 87.783 -2.426 9.554 1.00 0.00 C ATOM 732 CZ TYR A 52 87.973 -2.049 8.219 1.00 0.00 C ATOM 733 OH TYR A 52 87.335 -0.930 7.720 1.00 0.00 O ATOM 0 H TYR A 52 87.575 -6.670 10.192 1.00 0.00 H new ATOM 0 HA TYR A 52 89.651 -6.792 8.023 1.00 0.00 H new ATOM 0 HB2 TYR A 52 89.803 -5.623 10.848 1.00 0.00 H new ATOM 0 HB3 TYR A 52 91.028 -5.484 9.603 1.00 0.00 H new ATOM 0 HD1 TYR A 52 90.094 -4.530 7.253 1.00 0.00 H new ATOM 0 HD2 TYR A 52 88.277 -3.854 11.089 1.00 0.00 H new ATOM 0 HE1 TYR A 52 88.950 -2.521 6.360 1.00 0.00 H new ATOM 0 HE2 TYR A 52 87.141 -1.839 10.194 1.00 0.00 H new ATOM 0 HH TYR A 52 86.795 -0.519 8.427 1.00 0.00 H new ATOM 743 N ASN A 53 90.788 -8.807 9.030 1.00 0.00 N ATOM 744 CA ASN A 53 91.412 -10.025 9.639 1.00 0.00 C ATOM 745 C ASN A 53 91.975 -9.666 11.016 1.00 0.00 C ATOM 746 O ASN A 53 92.251 -10.523 11.832 1.00 0.00 O ATOM 747 CB ASN A 53 92.547 -10.538 8.748 1.00 0.00 C ATOM 748 CG ASN A 53 92.985 -11.920 9.240 1.00 0.00 C ATOM 749 OD1 ASN A 53 93.860 -12.033 10.077 1.00 0.00 O ATOM 750 ND2 ASN A 53 92.412 -12.985 8.744 1.00 0.00 N ATOM 0 H ASN A 53 91.031 -8.637 8.054 1.00 0.00 H new ATOM 0 HA ASN A 53 90.655 -10.804 9.736 1.00 0.00 H new ATOM 0 HB2 ASN A 53 92.214 -10.596 7.712 1.00 0.00 H new ATOM 0 HB3 ASN A 53 93.388 -9.845 8.775 1.00 0.00 H new ATOM 0 HD21 ASN A 53 92.699 -13.912 9.059 1.00 0.00 H new ATOM 0 HD22 ASN A 53 91.678 -12.889 8.042 1.00 0.00 H new ATOM 757 N ASP A 54 92.148 -8.400 11.273 1.00 0.00 N ATOM 758 CA ASP A 54 92.695 -7.968 12.588 1.00 0.00 C ATOM 759 C ASP A 54 91.667 -8.280 13.684 1.00 0.00 C ATOM 760 O ASP A 54 91.885 -8.024 14.852 1.00 0.00 O ATOM 761 CB ASP A 54 92.970 -6.461 12.538 1.00 0.00 C ATOM 762 CG ASP A 54 93.846 -6.051 13.725 1.00 0.00 C ATOM 763 OD1 ASP A 54 93.880 -6.789 14.696 1.00 0.00 O ATOM 764 OD2 ASP A 54 94.467 -5.004 13.641 1.00 0.00 O ATOM 0 H ASP A 54 91.933 -7.642 10.625 1.00 0.00 H new ATOM 0 HA ASP A 54 93.622 -8.497 12.806 1.00 0.00 H new ATOM 0 HB2 ASP A 54 93.467 -6.204 11.602 1.00 0.00 H new ATOM 0 HB3 ASP A 54 92.030 -5.910 12.561 1.00 0.00 H new ATOM 769 N GLY A 55 90.553 -8.858 13.313 1.00 0.00 N ATOM 770 CA GLY A 55 89.516 -9.220 14.325 1.00 0.00 C ATOM 771 C GLY A 55 88.719 -7.986 14.750 1.00 0.00 C ATOM 772 O GLY A 55 88.207 -7.927 15.852 1.00 0.00 O ATOM 0 H GLY A 55 90.317 -9.095 12.350 1.00 0.00 H new ATOM 0 HA2 GLY A 55 88.842 -9.969 13.910 1.00 0.00 H new ATOM 0 HA3 GLY A 55 89.993 -9.669 15.197 1.00 0.00 H new ATOM 776 N THR A 56 88.603 -7.004 13.890 1.00 0.00 N ATOM 777 CA THR A 56 87.829 -5.765 14.238 1.00 0.00 C ATOM 778 C THR A 56 86.722 -5.542 13.211 1.00 0.00 C ATOM 779 O THR A 56 86.853 -5.901 12.064 1.00 0.00 O ATOM 780 CB THR A 56 88.773 -4.555 14.247 1.00 0.00 C ATOM 781 OG1 THR A 56 89.657 -4.639 13.140 1.00 0.00 O ATOM 782 CG2 THR A 56 89.577 -4.538 15.548 1.00 0.00 C ATOM 0 H THR A 56 89.013 -7.005 12.956 1.00 0.00 H new ATOM 0 HA THR A 56 87.384 -5.885 15.226 1.00 0.00 H new ATOM 0 HB THR A 56 88.188 -3.638 14.176 1.00 0.00 H new ATOM 0 HG1 THR A 56 90.260 -3.866 13.143 1.00 0.00 H new ATOM 0 HG21 THR A 56 90.246 -3.678 15.551 1.00 0.00 H new ATOM 0 HG22 THR A 56 88.896 -4.471 16.396 1.00 0.00 H new ATOM 0 HG23 THR A 56 90.163 -5.454 15.625 1.00 0.00 H new ATOM 790 N THR A 57 85.632 -4.941 13.622 1.00 0.00 N ATOM 791 CA THR A 57 84.503 -4.676 12.669 1.00 0.00 C ATOM 792 C THR A 57 84.034 -3.230 12.817 1.00 0.00 C ATOM 793 O THR A 57 83.821 -2.738 13.907 1.00 0.00 O ATOM 794 CB THR A 57 83.321 -5.602 12.977 1.00 0.00 C ATOM 795 OG1 THR A 57 82.970 -5.481 14.347 1.00 0.00 O ATOM 796 CG2 THR A 57 83.695 -7.053 12.670 1.00 0.00 C ATOM 0 H THR A 57 85.473 -4.621 14.577 1.00 0.00 H new ATOM 0 HA THR A 57 84.858 -4.857 11.654 1.00 0.00 H new ATOM 0 HB THR A 57 82.473 -5.316 12.355 1.00 0.00 H new ATOM 0 HG1 THR A 57 82.213 -6.072 14.544 1.00 0.00 H new ATOM 0 HG21 THR A 57 82.848 -7.702 12.893 1.00 0.00 H new ATOM 0 HG22 THR A 57 83.956 -7.146 11.616 1.00 0.00 H new ATOM 0 HG23 THR A 57 84.548 -7.346 13.283 1.00 0.00 H new ATOM 804 N SER A 58 83.847 -2.559 11.712 1.00 0.00 N ATOM 805 CA SER A 58 83.361 -1.145 11.730 1.00 0.00 C ATOM 806 C SER A 58 82.044 -1.105 10.965 1.00 0.00 C ATOM 807 O SER A 58 81.893 -1.792 9.981 1.00 0.00 O ATOM 808 CB SER A 58 84.387 -0.241 11.043 1.00 0.00 C ATOM 809 OG SER A 58 83.918 1.102 11.053 1.00 0.00 O ATOM 0 H SER A 58 84.013 -2.937 10.779 1.00 0.00 H new ATOM 0 HA SER A 58 83.222 -0.796 12.753 1.00 0.00 H new ATOM 0 HB2 SER A 58 85.346 -0.306 11.556 1.00 0.00 H new ATOM 0 HB3 SER A 58 84.551 -0.573 10.018 1.00 0.00 H new ATOM 0 HG SER A 58 84.576 1.681 10.615 1.00 0.00 H new ATOM 815 N ASN A 59 81.089 -0.317 11.390 1.00 0.00 N ATOM 816 CA ASN A 59 79.785 -0.255 10.656 1.00 0.00 C ATOM 817 C ASN A 59 79.392 1.198 10.442 1.00 0.00 C ATOM 818 O ASN A 59 79.290 1.979 11.367 1.00 0.00 O ATOM 819 CB ASN A 59 78.695 -0.945 11.472 1.00 0.00 C ATOM 820 CG ASN A 59 77.485 -1.251 10.582 1.00 0.00 C ATOM 821 OD1 ASN A 59 77.479 -0.931 9.409 1.00 0.00 O ATOM 822 ND2 ASN A 59 76.454 -1.863 11.095 1.00 0.00 N ATOM 0 H ASN A 59 81.154 0.285 12.211 1.00 0.00 H new ATOM 0 HA ASN A 59 79.896 -0.758 9.695 1.00 0.00 H new ATOM 0 HB2 ASN A 59 79.082 -1.868 11.903 1.00 0.00 H new ATOM 0 HB3 ASN A 59 78.393 -0.307 12.303 1.00 0.00 H new ATOM 0 HD21 ASN A 59 75.644 -2.073 10.512 1.00 0.00 H new ATOM 0 HD22 ASN A 59 76.458 -2.132 12.079 1.00 0.00 H new ATOM 829 N PHE A 60 79.144 1.542 9.218 1.00 0.00 N ATOM 830 CA PHE A 60 78.715 2.928 8.873 1.00 0.00 C ATOM 831 C PHE A 60 77.326 2.856 8.268 1.00 0.00 C ATOM 832 O PHE A 60 77.073 2.106 7.346 1.00 0.00 O ATOM 833 CB PHE A 60 79.672 3.551 7.864 1.00 0.00 C ATOM 834 CG PHE A 60 79.247 4.973 7.579 1.00 0.00 C ATOM 835 CD1 PHE A 60 79.727 6.017 8.379 1.00 0.00 C ATOM 836 CD2 PHE A 60 78.370 5.247 6.522 1.00 0.00 C ATOM 837 CE1 PHE A 60 79.332 7.336 8.122 1.00 0.00 C ATOM 838 CE2 PHE A 60 77.975 6.567 6.263 1.00 0.00 C ATOM 839 CZ PHE A 60 78.456 7.611 7.064 1.00 0.00 C ATOM 0 H PHE A 60 79.221 0.911 8.420 1.00 0.00 H new ATOM 0 HA PHE A 60 78.715 3.544 9.772 1.00 0.00 H new ATOM 0 HB2 PHE A 60 80.690 3.535 8.254 1.00 0.00 H new ATOM 0 HB3 PHE A 60 79.675 2.969 6.942 1.00 0.00 H new ATOM 0 HD1 PHE A 60 80.402 5.805 9.195 1.00 0.00 H new ATOM 0 HD2 PHE A 60 77.998 4.441 5.906 1.00 0.00 H new ATOM 0 HE1 PHE A 60 79.703 8.141 8.739 1.00 0.00 H new ATOM 0 HE2 PHE A 60 77.300 6.779 5.447 1.00 0.00 H new ATOM 0 HZ PHE A 60 78.151 8.628 6.866 1.00 0.00 H new ATOM 849 N LYS A 61 76.430 3.634 8.784 1.00 0.00 N ATOM 850 CA LYS A 61 75.037 3.646 8.272 1.00 0.00 C ATOM 851 C LYS A 61 74.794 4.969 7.574 1.00 0.00 C ATOM 852 O LYS A 61 75.280 6.007 7.979 1.00 0.00 O ATOM 853 CB LYS A 61 74.051 3.493 9.429 1.00 0.00 C ATOM 854 CG LYS A 61 72.623 3.444 8.871 1.00 0.00 C ATOM 855 CD LYS A 61 71.643 3.030 9.973 1.00 0.00 C ATOM 856 CE LYS A 61 71.594 4.102 11.069 1.00 0.00 C ATOM 857 NZ LYS A 61 72.760 3.938 11.985 1.00 0.00 N ATOM 0 H LYS A 61 76.605 4.277 9.556 1.00 0.00 H new ATOM 0 HA LYS A 61 74.893 2.818 7.578 1.00 0.00 H new ATOM 0 HB2 LYS A 61 74.267 2.583 9.989 1.00 0.00 H new ATOM 0 HB3 LYS A 61 74.155 4.327 10.124 1.00 0.00 H new ATOM 0 HG2 LYS A 61 72.345 4.420 8.474 1.00 0.00 H new ATOM 0 HG3 LYS A 61 72.572 2.737 8.043 1.00 0.00 H new ATOM 0 HD2 LYS A 61 70.649 2.886 9.550 1.00 0.00 H new ATOM 0 HD3 LYS A 61 71.948 2.075 10.401 1.00 0.00 H new ATOM 0 HE2 LYS A 61 71.608 5.095 10.620 1.00 0.00 H new ATOM 0 HE3 LYS A 61 70.664 4.019 11.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 72.431 3.948 12.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 73.232 3.033 11.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 73.431 4.719 11.836 1.00 0.00 H new ATOM 871 N GLY A 62 74.046 4.929 6.530 1.00 0.00 N ATOM 872 CA GLY A 62 73.741 6.172 5.771 1.00 0.00 C ATOM 873 C GLY A 62 72.463 5.956 4.970 1.00 0.00 C ATOM 874 O GLY A 62 72.069 4.837 4.714 1.00 0.00 O ATOM 0 H GLY A 62 73.621 4.081 6.155 1.00 0.00 H new ATOM 0 HA2 GLY A 62 73.620 7.012 6.455 1.00 0.00 H new ATOM 0 HA3 GLY A 62 74.567 6.420 5.104 1.00 0.00 H new ATOM 878 N VAL A 63 71.808 7.018 4.576 1.00 0.00 N ATOM 879 CA VAL A 63 70.540 6.884 3.793 1.00 0.00 C ATOM 880 C VAL A 63 70.799 7.332 2.358 1.00 0.00 C ATOM 881 O VAL A 63 71.260 8.428 2.109 1.00 0.00 O ATOM 882 CB VAL A 63 69.458 7.769 4.422 1.00 0.00 C ATOM 883 CG1 VAL A 63 68.143 7.601 3.657 1.00 0.00 C ATOM 884 CG2 VAL A 63 69.255 7.355 5.881 1.00 0.00 C ATOM 0 H VAL A 63 72.098 7.978 4.763 1.00 0.00 H new ATOM 0 HA VAL A 63 70.204 5.847 3.801 1.00 0.00 H new ATOM 0 HB VAL A 63 69.770 8.812 4.375 1.00 0.00 H new ATOM 0 HG11 VAL A 63 67.377 8.232 4.108 1.00 0.00 H new ATOM 0 HG12 VAL A 63 68.287 7.893 2.617 1.00 0.00 H new ATOM 0 HG13 VAL A 63 67.827 6.559 3.701 1.00 0.00 H new ATOM 0 HG21 VAL A 63 68.486 7.981 6.333 1.00 0.00 H new ATOM 0 HG22 VAL A 63 68.944 6.311 5.923 1.00 0.00 H new ATOM 0 HG23 VAL A 63 70.190 7.477 6.427 1.00 0.00 H new ATOM 894 N VAL A 64 70.518 6.481 1.410 1.00 0.00 N ATOM 895 CA VAL A 64 70.755 6.841 -0.014 1.00 0.00 C ATOM 896 C VAL A 64 69.498 7.496 -0.586 1.00 0.00 C ATOM 897 O VAL A 64 68.442 6.894 -0.660 1.00 0.00 O ATOM 898 CB VAL A 64 71.067 5.580 -0.827 1.00 0.00 C ATOM 899 CG1 VAL A 64 71.464 5.977 -2.251 1.00 0.00 C ATOM 900 CG2 VAL A 64 72.217 4.797 -0.181 1.00 0.00 C ATOM 0 H VAL A 64 70.133 5.549 1.562 1.00 0.00 H new ATOM 0 HA VAL A 64 71.598 7.530 -0.071 1.00 0.00 H new ATOM 0 HB VAL A 64 70.178 4.949 -0.851 1.00 0.00 H new ATOM 0 HG11 VAL A 64 71.686 5.081 -2.830 1.00 0.00 H new ATOM 0 HG12 VAL A 64 70.642 6.518 -2.720 1.00 0.00 H new ATOM 0 HG13 VAL A 64 72.347 6.616 -2.218 1.00 0.00 H new ATOM 0 HG21 VAL A 64 72.426 3.904 -0.771 1.00 0.00 H new ATOM 0 HG22 VAL A 64 73.108 5.424 -0.143 1.00 0.00 H new ATOM 0 HG23 VAL A 64 71.935 4.506 0.831 1.00 0.00 H new ATOM 910 N THR A 65 69.624 8.719 -1.012 1.00 0.00 N ATOM 911 CA THR A 65 68.476 9.454 -1.619 1.00 0.00 C ATOM 912 C THR A 65 69.006 10.099 -2.901 1.00 0.00 C ATOM 913 O THR A 65 70.180 10.396 -2.986 1.00 0.00 O ATOM 914 CB THR A 65 67.999 10.544 -0.647 1.00 0.00 C ATOM 915 OG1 THR A 65 68.981 11.569 -0.573 1.00 0.00 O ATOM 916 CG2 THR A 65 67.783 9.934 0.740 1.00 0.00 C ATOM 0 H THR A 65 70.491 9.254 -0.965 1.00 0.00 H new ATOM 0 HA THR A 65 67.638 8.789 -1.829 1.00 0.00 H new ATOM 0 HB THR A 65 67.059 10.967 -1.003 1.00 0.00 H new ATOM 0 HG1 THR A 65 68.679 12.267 0.045 1.00 0.00 H new ATOM 0 HG21 THR A 65 67.445 10.708 1.429 1.00 0.00 H new ATOM 0 HG22 THR A 65 67.030 9.148 0.679 1.00 0.00 H new ATOM 0 HG23 THR A 65 68.720 9.511 1.101 1.00 0.00 H new ATOM 924 N PRO A 66 68.187 10.316 -3.897 1.00 0.00 N ATOM 925 CA PRO A 66 68.659 10.936 -5.165 1.00 0.00 C ATOM 926 C PRO A 66 69.490 12.203 -4.895 1.00 0.00 C ATOM 927 O PRO A 66 70.047 12.796 -5.799 1.00 0.00 O ATOM 928 CB PRO A 66 67.360 11.249 -5.949 1.00 0.00 C ATOM 929 CG PRO A 66 66.230 11.004 -4.986 1.00 0.00 C ATOM 930 CD PRO A 66 66.752 10.012 -3.949 1.00 0.00 C ATOM 0 HA PRO A 66 69.323 10.280 -5.727 1.00 0.00 H new ATOM 0 HB2 PRO A 66 67.356 12.280 -6.303 1.00 0.00 H new ATOM 0 HB3 PRO A 66 67.270 10.610 -6.828 1.00 0.00 H new ATOM 0 HG2 PRO A 66 65.917 11.934 -4.511 1.00 0.00 H new ATOM 0 HG3 PRO A 66 65.359 10.602 -5.504 1.00 0.00 H new ATOM 0 HD2 PRO A 66 66.274 10.152 -2.979 1.00 0.00 H new ATOM 0 HD3 PRO A 66 66.568 8.980 -4.249 1.00 0.00 H new ATOM 938 N SER A 67 69.576 12.620 -3.658 1.00 0.00 N ATOM 939 CA SER A 67 70.371 13.839 -3.332 1.00 0.00 C ATOM 940 C SER A 67 71.876 13.525 -3.373 1.00 0.00 C ATOM 941 O SER A 67 72.623 14.150 -4.099 1.00 0.00 O ATOM 942 CB SER A 67 69.992 14.331 -1.935 1.00 0.00 C ATOM 943 OG SER A 67 70.593 15.597 -1.705 1.00 0.00 O ATOM 0 H SER A 67 69.129 12.168 -2.860 1.00 0.00 H new ATOM 0 HA SER A 67 70.153 14.611 -4.070 1.00 0.00 H new ATOM 0 HB2 SER A 67 68.908 14.408 -1.846 1.00 0.00 H new ATOM 0 HB3 SER A 67 70.324 13.616 -1.182 1.00 0.00 H new ATOM 0 HG SER A 67 70.351 15.916 -0.811 1.00 0.00 H new ATOM 949 N THR A 68 72.335 12.567 -2.596 1.00 0.00 N ATOM 950 CA THR A 68 73.799 12.232 -2.599 1.00 0.00 C ATOM 951 C THR A 68 73.999 10.727 -2.329 1.00 0.00 C ATOM 952 O THR A 68 73.196 10.108 -1.660 1.00 0.00 O ATOM 953 CB THR A 68 74.506 13.031 -1.497 1.00 0.00 C ATOM 954 OG1 THR A 68 73.886 12.761 -0.248 1.00 0.00 O ATOM 955 CG2 THR A 68 74.416 14.527 -1.801 1.00 0.00 C ATOM 0 H THR A 68 71.763 12.006 -1.964 1.00 0.00 H new ATOM 0 HA THR A 68 74.217 12.484 -3.573 1.00 0.00 H new ATOM 0 HB THR A 68 75.555 12.738 -1.455 1.00 0.00 H new ATOM 0 HG1 THR A 68 74.337 13.269 0.458 1.00 0.00 H new ATOM 0 HG21 THR A 68 74.920 15.089 -1.015 1.00 0.00 H new ATOM 0 HG22 THR A 68 74.895 14.733 -2.758 1.00 0.00 H new ATOM 0 HG23 THR A 68 73.369 14.827 -1.847 1.00 0.00 H new ATOM 963 N PRO A 69 75.073 10.137 -2.827 1.00 0.00 N ATOM 964 CA PRO A 69 75.380 8.689 -2.610 1.00 0.00 C ATOM 965 C PRO A 69 76.113 8.442 -1.283 1.00 0.00 C ATOM 966 O PRO A 69 76.599 9.361 -0.653 1.00 0.00 O ATOM 967 CB PRO A 69 76.300 8.364 -3.783 1.00 0.00 C ATOM 968 CG PRO A 69 77.093 9.614 -3.961 1.00 0.00 C ATOM 969 CD PRO A 69 76.124 10.768 -3.664 1.00 0.00 C ATOM 0 HA PRO A 69 74.479 8.077 -2.559 1.00 0.00 H new ATOM 0 HB2 PRO A 69 76.941 7.510 -3.565 1.00 0.00 H new ATOM 0 HB3 PRO A 69 75.733 8.117 -4.681 1.00 0.00 H new ATOM 0 HG2 PRO A 69 77.947 9.636 -3.284 1.00 0.00 H new ATOM 0 HG3 PRO A 69 77.488 9.686 -4.974 1.00 0.00 H new ATOM 0 HD2 PRO A 69 76.621 11.583 -3.137 1.00 0.00 H new ATOM 0 HD3 PRO A 69 75.708 11.188 -4.580 1.00 0.00 H new ATOM 977 N VAL A 70 76.209 7.203 -0.863 1.00 0.00 N ATOM 978 CA VAL A 70 76.925 6.879 0.412 1.00 0.00 C ATOM 979 C VAL A 70 78.306 6.313 0.062 1.00 0.00 C ATOM 980 O VAL A 70 78.438 5.461 -0.792 1.00 0.00 O ATOM 981 CB VAL A 70 76.119 5.844 1.197 1.00 0.00 C ATOM 982 CG1 VAL A 70 76.942 5.339 2.388 1.00 0.00 C ATOM 983 CG2 VAL A 70 74.830 6.496 1.706 1.00 0.00 C ATOM 0 H VAL A 70 75.819 6.397 -1.352 1.00 0.00 H new ATOM 0 HA VAL A 70 77.038 7.775 1.023 1.00 0.00 H new ATOM 0 HB VAL A 70 75.877 5.002 0.549 1.00 0.00 H new ATOM 0 HG11 VAL A 70 76.363 4.602 2.944 1.00 0.00 H new ATOM 0 HG12 VAL A 70 77.862 4.880 2.026 1.00 0.00 H new ATOM 0 HG13 VAL A 70 77.187 6.176 3.042 1.00 0.00 H new ATOM 0 HG21 VAL A 70 74.249 5.764 2.267 1.00 0.00 H new ATOM 0 HG22 VAL A 70 75.079 7.336 2.354 1.00 0.00 H new ATOM 0 HG23 VAL A 70 74.244 6.852 0.859 1.00 0.00 H new ATOM 993 N ASN A 71 79.341 6.819 0.685 1.00 0.00 N ATOM 994 CA ASN A 71 80.728 6.355 0.362 1.00 0.00 C ATOM 995 C ASN A 71 81.223 5.290 1.352 1.00 0.00 C ATOM 996 O ASN A 71 81.294 5.521 2.543 1.00 0.00 O ATOM 997 CB ASN A 71 81.662 7.565 0.439 1.00 0.00 C ATOM 998 CG ASN A 71 81.326 8.540 -0.690 1.00 0.00 C ATOM 999 OD1 ASN A 71 80.578 9.477 -0.494 1.00 0.00 O ATOM 1000 ND2 ASN A 71 81.854 8.362 -1.870 1.00 0.00 N ATOM 0 H ASN A 71 79.286 7.537 1.407 1.00 0.00 H new ATOM 0 HA ASN A 71 80.721 5.910 -0.633 1.00 0.00 H new ATOM 0 HB2 ASN A 71 81.556 8.059 1.405 1.00 0.00 H new ATOM 0 HB3 ASN A 71 82.700 7.242 0.359 1.00 0.00 H new ATOM 0 HD21 ASN A 71 81.639 9.010 -2.628 1.00 0.00 H new ATOM 0 HD22 ASN A 71 82.482 7.575 -2.034 1.00 0.00 H new ATOM 1007 N THR A 72 81.601 4.134 0.860 1.00 0.00 N ATOM 1008 CA THR A 72 82.135 3.058 1.751 1.00 0.00 C ATOM 1009 C THR A 72 83.658 3.188 1.780 1.00 0.00 C ATOM 1010 O THR A 72 84.348 2.430 2.433 1.00 0.00 O ATOM 1011 CB THR A 72 81.765 1.681 1.171 1.00 0.00 C ATOM 1012 OG1 THR A 72 82.788 1.248 0.283 1.00 0.00 O ATOM 1013 CG2 THR A 72 80.448 1.779 0.403 1.00 0.00 C ATOM 0 H THR A 72 81.562 3.889 -0.129 1.00 0.00 H new ATOM 0 HA THR A 72 81.716 3.153 2.753 1.00 0.00 H new ATOM 0 HB THR A 72 81.659 0.968 1.989 1.00 0.00 H new ATOM 0 HG1 THR A 72 82.552 0.371 -0.085 1.00 0.00 H new ATOM 0 HG21 THR A 72 80.191 0.801 -0.005 1.00 0.00 H new ATOM 0 HG22 THR A 72 79.658 2.110 1.077 1.00 0.00 H new ATOM 0 HG23 THR A 72 80.554 2.496 -0.411 1.00 0.00 H new ATOM 1021 N ASN A 73 84.184 4.149 1.065 1.00 0.00 N ATOM 1022 CA ASN A 73 85.659 4.340 1.031 1.00 0.00 C ATOM 1023 C ASN A 73 86.113 4.983 2.337 1.00 0.00 C ATOM 1024 O ASN A 73 86.778 5.999 2.346 1.00 0.00 O ATOM 1025 CB ASN A 73 86.024 5.253 -0.144 1.00 0.00 C ATOM 1026 CG ASN A 73 87.544 5.296 -0.318 1.00 0.00 C ATOM 1027 OD1 ASN A 73 88.279 5.326 0.650 1.00 0.00 O ATOM 1028 ND2 ASN A 73 88.049 5.296 -1.521 1.00 0.00 N ATOM 0 H ASN A 73 83.650 4.811 0.502 1.00 0.00 H new ATOM 0 HA ASN A 73 86.153 3.376 0.909 1.00 0.00 H new ATOM 0 HB2 ASN A 73 85.555 4.889 -1.058 1.00 0.00 H new ATOM 0 HB3 ASN A 73 85.641 6.258 0.032 1.00 0.00 H new ATOM 0 HD21 ASN A 73 89.061 5.321 -1.649 1.00 0.00 H new ATOM 0 HD22 ASN A 73 87.432 5.271 -2.333 1.00 0.00 H new ATOM 1035 N GLN A 74 85.766 4.393 3.445 1.00 0.00 N ATOM 1036 CA GLN A 74 86.189 4.971 4.745 1.00 0.00 C ATOM 1037 C GLN A 74 87.717 4.941 4.812 1.00 0.00 C ATOM 1038 O GLN A 74 88.376 5.887 4.431 1.00 0.00 O ATOM 1039 CB GLN A 74 85.597 4.138 5.884 1.00 0.00 C ATOM 1040 CG GLN A 74 84.069 4.216 5.824 1.00 0.00 C ATOM 1041 CD GLN A 74 83.462 3.357 6.936 1.00 0.00 C ATOM 1042 OE1 GLN A 74 84.027 3.237 8.006 1.00 0.00 O ATOM 1043 NE2 GLN A 74 82.323 2.751 6.726 1.00 0.00 N ATOM 0 H GLN A 74 85.210 3.540 3.505 1.00 0.00 H new ATOM 0 HA GLN A 74 85.837 5.998 4.840 1.00 0.00 H new ATOM 0 HB2 GLN A 74 85.924 3.101 5.800 1.00 0.00 H new ATOM 0 HB3 GLN A 74 85.954 4.508 6.845 1.00 0.00 H new ATOM 0 HG2 GLN A 74 83.744 5.251 5.933 1.00 0.00 H new ATOM 0 HG3 GLN A 74 83.716 3.871 4.852 1.00 0.00 H new ATOM 0 HE21 GLN A 74 81.849 2.852 5.828 1.00 0.00 H new ATOM 0 HE22 GLN A 74 81.908 2.177 7.460 1.00 0.00 H new ATOM 1052 N ASP A 75 88.284 3.851 5.269 1.00 0.00 N ATOM 1053 CA ASP A 75 89.778 3.733 5.338 1.00 0.00 C ATOM 1054 C ASP A 75 90.243 2.642 4.369 1.00 0.00 C ATOM 1055 O ASP A 75 90.433 1.506 4.739 1.00 0.00 O ATOM 1056 CB ASP A 75 90.202 3.376 6.766 1.00 0.00 C ATOM 1057 CG ASP A 75 90.113 4.622 7.653 1.00 0.00 C ATOM 1058 OD1 ASP A 75 90.377 5.704 7.152 1.00 0.00 O ATOM 1059 OD2 ASP A 75 89.790 4.474 8.821 1.00 0.00 O ATOM 0 H ASP A 75 87.774 3.032 5.600 1.00 0.00 H new ATOM 0 HA ASP A 75 90.234 4.683 5.060 1.00 0.00 H new ATOM 0 HB2 ASP A 75 89.560 2.589 7.161 1.00 0.00 H new ATOM 0 HB3 ASP A 75 91.220 2.987 6.768 1.00 0.00 H new ATOM 1064 N ILE A 76 90.418 2.982 3.127 1.00 0.00 N ATOM 1065 CA ILE A 76 90.870 1.974 2.123 1.00 0.00 C ATOM 1066 C ILE A 76 92.325 1.595 2.392 1.00 0.00 C ATOM 1067 O ILE A 76 92.754 0.489 2.135 1.00 0.00 O ATOM 1068 CB ILE A 76 90.748 2.596 0.730 1.00 0.00 C ATOM 1069 CG1 ILE A 76 90.855 1.505 -0.347 1.00 0.00 C ATOM 1070 CG2 ILE A 76 91.862 3.628 0.509 1.00 0.00 C ATOM 1071 CD1 ILE A 76 89.616 0.593 -0.337 1.00 0.00 C ATOM 0 H ILE A 76 90.267 3.921 2.757 1.00 0.00 H new ATOM 0 HA ILE A 76 90.256 1.076 2.189 1.00 0.00 H new ATOM 0 HB ILE A 76 89.778 3.088 0.658 1.00 0.00 H new ATOM 0 HG12 ILE A 76 90.962 1.968 -1.328 1.00 0.00 H new ATOM 0 HG13 ILE A 76 91.751 0.908 -0.177 1.00 0.00 H new ATOM 0 HG21 ILE A 76 91.763 4.063 -0.486 1.00 0.00 H new ATOM 0 HG22 ILE A 76 91.782 4.415 1.259 1.00 0.00 H new ATOM 0 HG23 ILE A 76 92.833 3.140 0.597 1.00 0.00 H new ATOM 0 HD11 ILE A 76 89.719 -0.169 -1.109 1.00 0.00 H new ATOM 0 HD12 ILE A 76 89.526 0.113 0.637 1.00 0.00 H new ATOM 0 HD13 ILE A 76 88.724 1.189 -0.532 1.00 0.00 H new ATOM 1083 N ASN A 77 93.088 2.530 2.873 1.00 0.00 N ATOM 1084 CA ASN A 77 94.533 2.258 3.123 1.00 0.00 C ATOM 1085 C ASN A 77 94.687 1.113 4.132 1.00 0.00 C ATOM 1086 O ASN A 77 95.446 0.192 3.908 1.00 0.00 O ATOM 1087 CB ASN A 77 95.202 3.518 3.680 1.00 0.00 C ATOM 1088 CG ASN A 77 96.694 3.249 3.891 1.00 0.00 C ATOM 1089 OD1 ASN A 77 97.310 3.819 4.770 1.00 0.00 O ATOM 1090 ND2 ASN A 77 97.307 2.399 3.114 1.00 0.00 N ATOM 0 H ASN A 77 92.777 3.473 3.105 1.00 0.00 H new ATOM 0 HA ASN A 77 95.008 1.974 2.184 1.00 0.00 H new ATOM 0 HB2 ASN A 77 95.065 4.351 2.991 1.00 0.00 H new ATOM 0 HB3 ASN A 77 94.736 3.804 4.623 1.00 0.00 H new ATOM 0 HD21 ASN A 77 98.301 2.214 3.245 1.00 0.00 H new ATOM 0 HD22 ASN A 77 96.792 1.920 2.376 1.00 0.00 H new ATOM 1097 N LYS A 78 93.974 1.139 5.227 1.00 0.00 N ATOM 1098 CA LYS A 78 94.110 0.018 6.203 1.00 0.00 C ATOM 1099 C LYS A 78 93.633 -1.268 5.524 1.00 0.00 C ATOM 1100 O LYS A 78 94.201 -2.330 5.691 1.00 0.00 O ATOM 1101 CB LYS A 78 93.273 0.305 7.472 1.00 0.00 C ATOM 1102 CG LYS A 78 91.810 -0.144 7.285 1.00 0.00 C ATOM 1103 CD LYS A 78 90.916 0.441 8.379 1.00 0.00 C ATOM 1104 CE LYS A 78 91.133 -0.304 9.698 1.00 0.00 C ATOM 1105 NZ LYS A 78 90.231 0.271 10.736 1.00 0.00 N ATOM 0 H LYS A 78 93.315 1.873 5.485 1.00 0.00 H new ATOM 0 HA LYS A 78 95.151 -0.088 6.509 1.00 0.00 H new ATOM 0 HB2 LYS A 78 93.710 -0.215 8.325 1.00 0.00 H new ATOM 0 HB3 LYS A 78 93.304 1.371 7.698 1.00 0.00 H new ATOM 0 HG2 LYS A 78 91.450 0.174 6.307 1.00 0.00 H new ATOM 0 HG3 LYS A 78 91.754 -1.232 7.307 1.00 0.00 H new ATOM 0 HD2 LYS A 78 91.137 1.500 8.511 1.00 0.00 H new ATOM 0 HD3 LYS A 78 89.870 0.369 8.081 1.00 0.00 H new ATOM 0 HE2 LYS A 78 90.928 -1.367 9.568 1.00 0.00 H new ATOM 0 HE3 LYS A 78 92.173 -0.216 10.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 90.373 -0.231 11.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 90.448 1.280 10.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 89.242 0.165 10.433 1.00 0.00 H new ATOM 1119 N THR A 79 92.579 -1.164 4.763 1.00 0.00 N ATOM 1120 CA THR A 79 92.024 -2.345 4.063 1.00 0.00 C ATOM 1121 C THR A 79 93.084 -2.923 3.129 1.00 0.00 C ATOM 1122 O THR A 79 93.249 -4.111 3.031 1.00 0.00 O ATOM 1123 CB THR A 79 90.783 -1.895 3.281 1.00 0.00 C ATOM 1124 OG1 THR A 79 89.675 -1.813 4.168 1.00 0.00 O ATOM 1125 CG2 THR A 79 90.451 -2.862 2.135 1.00 0.00 C ATOM 0 H THR A 79 92.074 -0.294 4.597 1.00 0.00 H new ATOM 0 HA THR A 79 91.740 -3.123 4.772 1.00 0.00 H new ATOM 0 HB THR A 79 90.994 -0.919 2.844 1.00 0.00 H new ATOM 0 HG1 THR A 79 88.880 -1.524 3.673 1.00 0.00 H new ATOM 0 HG21 THR A 79 89.566 -2.509 1.606 1.00 0.00 H new ATOM 0 HG22 THR A 79 91.293 -2.910 1.444 1.00 0.00 H new ATOM 0 HG23 THR A 79 90.258 -3.855 2.541 1.00 0.00 H new ATOM 1133 N ASN A 80 93.819 -2.098 2.454 1.00 0.00 N ATOM 1134 CA ASN A 80 94.869 -2.638 1.552 1.00 0.00 C ATOM 1135 C ASN A 80 95.955 -3.321 2.388 1.00 0.00 C ATOM 1136 O ASN A 80 96.581 -4.265 1.947 1.00 0.00 O ATOM 1137 CB ASN A 80 95.487 -1.507 0.728 1.00 0.00 C ATOM 1138 CG ASN A 80 96.541 -2.089 -0.217 1.00 0.00 C ATOM 1139 OD1 ASN A 80 97.716 -1.815 -0.078 1.00 0.00 O ATOM 1140 ND2 ASN A 80 96.167 -2.889 -1.178 1.00 0.00 N ATOM 0 H ASN A 80 93.743 -1.081 2.484 1.00 0.00 H new ATOM 0 HA ASN A 80 94.420 -3.363 0.873 1.00 0.00 H new ATOM 0 HB2 ASN A 80 94.714 -0.993 0.157 1.00 0.00 H new ATOM 0 HB3 ASN A 80 95.941 -0.767 1.387 1.00 0.00 H new ATOM 0 HD21 ASN A 80 96.861 -3.284 -1.812 1.00 0.00 H new ATOM 0 HD22 ASN A 80 95.180 -3.119 -1.295 1.00 0.00 H new ATOM 1147 N LYS A 81 96.205 -2.848 3.578 1.00 0.00 N ATOM 1148 CA LYS A 81 97.274 -3.475 4.407 1.00 0.00 C ATOM 1149 C LYS A 81 96.841 -4.874 4.869 1.00 0.00 C ATOM 1150 O LYS A 81 97.622 -5.806 4.827 1.00 0.00 O ATOM 1151 CB LYS A 81 97.565 -2.577 5.622 1.00 0.00 C ATOM 1152 CG LYS A 81 98.884 -2.987 6.323 1.00 0.00 C ATOM 1153 CD LYS A 81 98.625 -4.038 7.416 1.00 0.00 C ATOM 1154 CE LYS A 81 99.901 -4.239 8.241 1.00 0.00 C ATOM 1155 NZ LYS A 81 101.003 -4.694 7.348 1.00 0.00 N ATOM 0 H LYS A 81 95.720 -2.061 4.010 1.00 0.00 H new ATOM 0 HA LYS A 81 98.180 -3.579 3.809 1.00 0.00 H new ATOM 0 HB2 LYS A 81 97.629 -1.537 5.301 1.00 0.00 H new ATOM 0 HB3 LYS A 81 96.739 -2.641 6.330 1.00 0.00 H new ATOM 0 HG2 LYS A 81 99.582 -3.387 5.587 1.00 0.00 H new ATOM 0 HG3 LYS A 81 99.354 -2.108 6.763 1.00 0.00 H new ATOM 0 HD2 LYS A 81 97.809 -3.714 8.061 1.00 0.00 H new ATOM 0 HD3 LYS A 81 98.319 -4.981 6.964 1.00 0.00 H new ATOM 0 HE2 LYS A 81 100.179 -3.307 8.734 1.00 0.00 H new ATOM 0 HE3 LYS A 81 99.727 -4.975 9.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 101.776 -5.087 7.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 100.646 -5.426 6.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 101.358 -3.887 6.796 1.00 0.00 H new ATOM 1169 N VAL A 82 95.615 -5.031 5.324 1.00 0.00 N ATOM 1170 CA VAL A 82 95.148 -6.378 5.811 1.00 0.00 C ATOM 1171 C VAL A 82 94.102 -6.985 4.861 1.00 0.00 C ATOM 1172 O VAL A 82 93.956 -8.189 4.785 1.00 0.00 O ATOM 1173 CB VAL A 82 94.541 -6.230 7.212 1.00 0.00 C ATOM 1174 CG1 VAL A 82 93.382 -5.227 7.197 1.00 0.00 C ATOM 1175 CG2 VAL A 82 94.028 -7.591 7.680 1.00 0.00 C ATOM 0 H VAL A 82 94.919 -4.288 5.380 1.00 0.00 H new ATOM 0 HA VAL A 82 96.008 -7.047 5.842 1.00 0.00 H new ATOM 0 HB VAL A 82 95.309 -5.863 7.893 1.00 0.00 H new ATOM 0 HG11 VAL A 82 92.966 -5.137 8.200 1.00 0.00 H new ATOM 0 HG12 VAL A 82 93.747 -4.254 6.867 1.00 0.00 H new ATOM 0 HG13 VAL A 82 92.608 -5.575 6.513 1.00 0.00 H new ATOM 0 HG21 VAL A 82 93.595 -7.494 8.676 1.00 0.00 H new ATOM 0 HG22 VAL A 82 93.268 -7.951 6.987 1.00 0.00 H new ATOM 0 HG23 VAL A 82 94.855 -8.300 7.712 1.00 0.00 H new ATOM 1185 N GLY A 83 93.373 -6.177 4.137 1.00 0.00 N ATOM 1186 CA GLY A 83 92.347 -6.724 3.204 1.00 0.00 C ATOM 1187 C GLY A 83 91.051 -6.987 3.967 1.00 0.00 C ATOM 1188 O GLY A 83 91.029 -7.039 5.181 1.00 0.00 O ATOM 0 H GLY A 83 93.445 -5.160 4.152 1.00 0.00 H new ATOM 0 HA2 GLY A 83 92.167 -6.020 2.392 1.00 0.00 H new ATOM 0 HA3 GLY A 83 92.708 -7.647 2.751 1.00 0.00 H new ATOM 1192 N VAL A 84 89.975 -7.163 3.251 1.00 0.00 N ATOM 1193 CA VAL A 84 88.647 -7.447 3.891 1.00 0.00 C ATOM 1194 C VAL A 84 88.244 -8.887 3.569 1.00 0.00 C ATOM 1195 O VAL A 84 88.258 -9.302 2.427 1.00 0.00 O ATOM 1196 CB VAL A 84 87.585 -6.492 3.336 1.00 0.00 C ATOM 1197 CG1 VAL A 84 86.238 -6.811 3.992 1.00 0.00 C ATOM 1198 CG2 VAL A 84 87.972 -5.035 3.644 1.00 0.00 C ATOM 0 H VAL A 84 89.954 -7.122 2.232 1.00 0.00 H new ATOM 0 HA VAL A 84 88.725 -7.308 4.969 1.00 0.00 H new ATOM 0 HB VAL A 84 87.514 -6.618 2.256 1.00 0.00 H new ATOM 0 HG11 VAL A 84 85.475 -6.136 3.603 1.00 0.00 H new ATOM 0 HG12 VAL A 84 85.959 -7.841 3.769 1.00 0.00 H new ATOM 0 HG13 VAL A 84 86.320 -6.683 5.071 1.00 0.00 H new ATOM 0 HG21 VAL A 84 87.211 -4.364 3.245 1.00 0.00 H new ATOM 0 HG22 VAL A 84 88.047 -4.899 4.723 1.00 0.00 H new ATOM 0 HG23 VAL A 84 88.933 -4.808 3.182 1.00 0.00 H new ATOM 1208 N GLN A 85 87.904 -9.661 4.563 1.00 0.00 N ATOM 1209 CA GLN A 85 87.529 -11.081 4.301 1.00 0.00 C ATOM 1210 C GLN A 85 86.074 -11.187 3.831 1.00 0.00 C ATOM 1211 O GLN A 85 85.804 -11.604 2.719 1.00 0.00 O ATOM 1212 CB GLN A 85 87.686 -11.892 5.586 1.00 0.00 C ATOM 1213 CG GLN A 85 89.132 -11.806 6.082 1.00 0.00 C ATOM 1214 CD GLN A 85 90.061 -12.515 5.096 1.00 0.00 C ATOM 1215 OE1 GLN A 85 89.735 -13.566 4.582 1.00 0.00 O ATOM 1216 NE2 GLN A 85 91.213 -11.975 4.805 1.00 0.00 N ATOM 0 H GLN A 85 87.869 -9.374 5.541 1.00 0.00 H new ATOM 0 HA GLN A 85 88.184 -11.468 3.520 1.00 0.00 H new ATOM 0 HB2 GLN A 85 87.007 -11.514 6.350 1.00 0.00 H new ATOM 0 HB3 GLN A 85 87.415 -12.932 5.405 1.00 0.00 H new ATOM 0 HG2 GLN A 85 89.428 -10.762 6.189 1.00 0.00 H new ATOM 0 HG3 GLN A 85 89.216 -12.263 7.068 1.00 0.00 H new ATOM 0 HE21 GLN A 85 91.486 -11.092 5.237 1.00 0.00 H new ATOM 0 HE22 GLN A 85 91.840 -12.436 4.146 1.00 0.00 H new ATOM 1225 N LYS A 86 85.132 -10.851 4.685 1.00 0.00 N ATOM 1226 CA LYS A 86 83.680 -10.970 4.317 1.00 0.00 C ATOM 1227 C LYS A 86 83.026 -9.587 4.246 1.00 0.00 C ATOM 1228 O LYS A 86 83.312 -8.707 5.033 1.00 0.00 O ATOM 1229 CB LYS A 86 82.971 -11.810 5.386 1.00 0.00 C ATOM 1230 CG LYS A 86 81.548 -12.178 4.931 1.00 0.00 C ATOM 1231 CD LYS A 86 81.596 -13.261 3.839 1.00 0.00 C ATOM 1232 CE LYS A 86 80.229 -13.929 3.713 1.00 0.00 C ATOM 1233 NZ LYS A 86 80.269 -14.921 2.602 1.00 0.00 N ATOM 0 H LYS A 86 85.307 -10.498 5.626 1.00 0.00 H new ATOM 0 HA LYS A 86 83.596 -11.444 3.339 1.00 0.00 H new ATOM 0 HB2 LYS A 86 83.542 -12.718 5.581 1.00 0.00 H new ATOM 0 HB3 LYS A 86 82.927 -11.254 6.323 1.00 0.00 H new ATOM 0 HG2 LYS A 86 80.969 -12.536 5.782 1.00 0.00 H new ATOM 0 HG3 LYS A 86 81.041 -11.292 4.551 1.00 0.00 H new ATOM 0 HD2 LYS A 86 81.883 -12.817 2.886 1.00 0.00 H new ATOM 0 HD3 LYS A 86 82.353 -14.005 4.085 1.00 0.00 H new ATOM 0 HE2 LYS A 86 79.965 -14.423 4.648 1.00 0.00 H new ATOM 0 HE3 LYS A 86 79.461 -13.180 3.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 79.340 -15.379 2.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 80.504 -14.436 1.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 80.992 -15.641 2.805 1.00 0.00 H new ATOM 1247 N TYR A 87 82.148 -9.404 3.291 1.00 0.00 N ATOM 1248 CA TYR A 87 81.439 -8.093 3.113 1.00 0.00 C ATOM 1249 C TYR A 87 79.923 -8.325 3.249 1.00 0.00 C ATOM 1250 O TYR A 87 79.379 -9.230 2.648 1.00 0.00 O ATOM 1251 CB TYR A 87 81.767 -7.562 1.714 1.00 0.00 C ATOM 1252 CG TYR A 87 81.284 -6.141 1.557 1.00 0.00 C ATOM 1253 CD1 TYR A 87 82.121 -5.077 1.908 1.00 0.00 C ATOM 1254 CD2 TYR A 87 80.006 -5.887 1.048 1.00 0.00 C ATOM 1255 CE1 TYR A 87 81.682 -3.759 1.754 1.00 0.00 C ATOM 1256 CE2 TYR A 87 79.564 -4.568 0.889 1.00 0.00 C ATOM 1257 CZ TYR A 87 80.403 -3.503 1.243 1.00 0.00 C ATOM 1258 OH TYR A 87 79.971 -2.203 1.086 1.00 0.00 O ATOM 0 H TYR A 87 81.886 -10.120 2.613 1.00 0.00 H new ATOM 0 HA TYR A 87 81.757 -7.371 3.866 1.00 0.00 H new ATOM 0 HB2 TYR A 87 82.843 -7.606 1.546 1.00 0.00 H new ATOM 0 HB3 TYR A 87 81.300 -8.196 0.960 1.00 0.00 H new ATOM 0 HD1 TYR A 87 83.108 -5.274 2.299 1.00 0.00 H new ATOM 0 HD2 TYR A 87 79.360 -6.709 0.777 1.00 0.00 H new ATOM 0 HE1 TYR A 87 82.328 -2.939 2.029 1.00 0.00 H new ATOM 0 HE2 TYR A 87 78.578 -4.372 0.494 1.00 0.00 H new ATOM 0 HH TYR A 87 79.355 -2.153 0.325 1.00 0.00 H new ATOM 1268 N ARG A 88 79.237 -7.526 4.045 1.00 0.00 N ATOM 1269 CA ARG A 88 77.753 -7.716 4.231 1.00 0.00 C ATOM 1270 C ARG A 88 77.014 -6.376 4.075 1.00 0.00 C ATOM 1271 O ARG A 88 77.379 -5.381 4.673 1.00 0.00 O ATOM 1272 CB ARG A 88 77.496 -8.275 5.633 1.00 0.00 C ATOM 1273 CG ARG A 88 78.019 -9.712 5.707 1.00 0.00 C ATOM 1274 CD ARG A 88 77.772 -10.285 7.106 1.00 0.00 C ATOM 1275 NE ARG A 88 78.268 -11.693 7.154 1.00 0.00 N ATOM 1276 CZ ARG A 88 78.613 -12.238 8.292 1.00 0.00 C ATOM 1277 NH1 ARG A 88 78.558 -11.548 9.400 1.00 0.00 N ATOM 1278 NH2 ARG A 88 79.024 -13.478 8.320 1.00 0.00 N ATOM 0 H ARG A 88 79.640 -6.752 4.573 1.00 0.00 H new ATOM 0 HA ARG A 88 77.385 -8.408 3.474 1.00 0.00 H new ATOM 0 HB2 ARG A 88 77.992 -7.656 6.381 1.00 0.00 H new ATOM 0 HB3 ARG A 88 76.429 -8.252 5.857 1.00 0.00 H new ATOM 0 HG2 ARG A 88 77.521 -10.329 4.959 1.00 0.00 H new ATOM 0 HG3 ARG A 88 79.085 -9.733 5.479 1.00 0.00 H new ATOM 0 HD2 ARG A 88 78.284 -9.681 7.855 1.00 0.00 H new ATOM 0 HD3 ARG A 88 76.708 -10.253 7.343 1.00 0.00 H new ATOM 0 HE ARG A 88 78.338 -12.234 6.292 1.00 0.00 H new ATOM 0 HH11 ARG A 88 78.244 -10.578 9.381 1.00 0.00 H new ATOM 0 HH12 ARG A 88 78.829 -11.980 10.284 1.00 0.00 H new ATOM 0 HH21 ARG A 88 79.075 -14.018 7.456 1.00 0.00 H new ATOM 0 HH22 ARG A 88 79.294 -13.906 9.206 1.00 0.00 H new ATOM 1292 N ALA A 89 75.967 -6.357 3.273 1.00 0.00 N ATOM 1293 CA ALA A 89 75.172 -5.098 3.059 1.00 0.00 C ATOM 1294 C ALA A 89 73.701 -5.339 3.431 1.00 0.00 C ATOM 1295 O ALA A 89 73.134 -6.361 3.096 1.00 0.00 O ATOM 1296 CB ALA A 89 75.255 -4.696 1.580 1.00 0.00 C ATOM 0 H ALA A 89 75.628 -7.167 2.754 1.00 0.00 H new ATOM 0 HA ALA A 89 75.578 -4.305 3.687 1.00 0.00 H new ATOM 0 HB1 ALA A 89 74.681 -3.784 1.418 1.00 0.00 H new ATOM 0 HB2 ALA A 89 76.296 -4.522 1.308 1.00 0.00 H new ATOM 0 HB3 ALA A 89 74.847 -5.496 0.962 1.00 0.00 H new ATOM 1302 N LEU A 90 73.074 -4.399 4.108 1.00 0.00 N ATOM 1303 CA LEU A 90 71.626 -4.557 4.491 1.00 0.00 C ATOM 1304 C LEU A 90 70.817 -3.418 3.867 1.00 0.00 C ATOM 1305 O LEU A 90 71.200 -2.267 3.928 1.00 0.00 O ATOM 1306 CB LEU A 90 71.474 -4.498 6.014 1.00 0.00 C ATOM 1307 CG LEU A 90 70.001 -4.691 6.416 1.00 0.00 C ATOM 1308 CD1 LEU A 90 69.499 -6.075 5.961 1.00 0.00 C ATOM 1309 CD2 LEU A 90 69.881 -4.576 7.940 1.00 0.00 C ATOM 0 H LEU A 90 73.504 -3.526 4.413 1.00 0.00 H new ATOM 0 HA LEU A 90 71.264 -5.520 4.131 1.00 0.00 H new ATOM 0 HB2 LEU A 90 72.088 -5.271 6.477 1.00 0.00 H new ATOM 0 HB3 LEU A 90 71.836 -3.539 6.385 1.00 0.00 H new ATOM 0 HG LEU A 90 69.393 -3.924 5.935 1.00 0.00 H new ATOM 0 HD11 LEU A 90 68.456 -6.197 6.252 1.00 0.00 H new ATOM 0 HD12 LEU A 90 69.585 -6.155 4.877 1.00 0.00 H new ATOM 0 HD13 LEU A 90 70.101 -6.853 6.431 1.00 0.00 H new ATOM 0 HD21 LEU A 90 68.840 -4.711 8.234 1.00 0.00 H new ATOM 0 HD22 LEU A 90 70.494 -5.343 8.412 1.00 0.00 H new ATOM 0 HD23 LEU A 90 70.223 -3.591 8.259 1.00 0.00 H new ATOM 1321 N THR A 91 69.704 -3.739 3.260 1.00 0.00 N ATOM 1322 CA THR A 91 68.850 -2.686 2.610 1.00 0.00 C ATOM 1323 C THR A 91 67.394 -2.806 3.085 1.00 0.00 C ATOM 1324 O THR A 91 66.779 -3.848 2.992 1.00 0.00 O ATOM 1325 CB THR A 91 68.905 -2.870 1.090 1.00 0.00 C ATOM 1326 OG1 THR A 91 68.699 -4.239 0.773 1.00 0.00 O ATOM 1327 CG2 THR A 91 70.270 -2.427 0.562 1.00 0.00 C ATOM 0 H THR A 91 69.343 -4.690 3.183 1.00 0.00 H new ATOM 0 HA THR A 91 69.227 -1.701 2.885 1.00 0.00 H new ATOM 0 HB THR A 91 68.127 -2.264 0.627 1.00 0.00 H new ATOM 0 HG1 THR A 91 68.049 -4.625 1.397 1.00 0.00 H new ATOM 0 HG21 THR A 91 70.303 -2.560 -0.519 1.00 0.00 H new ATOM 0 HG22 THR A 91 70.430 -1.376 0.803 1.00 0.00 H new ATOM 0 HG23 THR A 91 71.052 -3.028 1.025 1.00 0.00 H new ATOM 1335 N GLU A 92 66.846 -1.722 3.585 1.00 0.00 N ATOM 1336 CA GLU A 92 65.422 -1.725 4.067 1.00 0.00 C ATOM 1337 C GLU A 92 64.679 -0.500 3.528 1.00 0.00 C ATOM 1338 O GLU A 92 65.276 0.489 3.166 1.00 0.00 O ATOM 1339 CB GLU A 92 65.389 -1.698 5.600 1.00 0.00 C ATOM 1340 CG GLU A 92 65.866 -3.041 6.154 1.00 0.00 C ATOM 1341 CD GLU A 92 64.838 -4.124 5.823 1.00 0.00 C ATOM 1342 OE1 GLU A 92 63.701 -3.771 5.554 1.00 0.00 O ATOM 1343 OE2 GLU A 92 65.206 -5.287 5.838 1.00 0.00 O ATOM 0 H GLU A 92 67.327 -0.828 3.681 1.00 0.00 H new ATOM 0 HA GLU A 92 64.935 -2.631 3.706 1.00 0.00 H new ATOM 0 HB2 GLU A 92 66.025 -0.895 5.972 1.00 0.00 H new ATOM 0 HB3 GLU A 92 64.377 -1.490 5.947 1.00 0.00 H new ATOM 0 HG2 GLU A 92 66.834 -3.300 5.725 1.00 0.00 H new ATOM 0 HG3 GLU A 92 66.004 -2.973 7.233 1.00 0.00 H new ATOM 1350 N TRP A 93 63.374 -0.557 3.495 1.00 0.00 N ATOM 1351 CA TRP A 93 62.585 0.613 3.004 1.00 0.00 C ATOM 1352 C TRP A 93 62.574 1.691 4.091 1.00 0.00 C ATOM 1353 O TRP A 93 62.395 1.407 5.259 1.00 0.00 O ATOM 1354 CB TRP A 93 61.137 0.187 2.695 1.00 0.00 C ATOM 1355 CG TRP A 93 61.077 -0.491 1.360 1.00 0.00 C ATOM 1356 CD1 TRP A 93 60.703 -1.774 1.153 1.00 0.00 C ATOM 1357 CD2 TRP A 93 61.391 0.061 0.048 1.00 0.00 C ATOM 1358 NE1 TRP A 93 60.766 -2.044 -0.203 1.00 0.00 N ATOM 1359 CE2 TRP A 93 61.185 -0.943 -0.925 1.00 0.00 C ATOM 1360 CE3 TRP A 93 61.830 1.324 -0.387 1.00 0.00 C ATOM 1361 CZ2 TRP A 93 61.409 -0.703 -2.283 1.00 0.00 C ATOM 1362 CZ3 TRP A 93 62.056 1.570 -1.751 1.00 0.00 C ATOM 1363 CH2 TRP A 93 61.845 0.557 -2.696 1.00 0.00 C ATOM 0 H TRP A 93 62.820 -1.362 3.786 1.00 0.00 H new ATOM 0 HA TRP A 93 63.041 1.000 2.092 1.00 0.00 H new ATOM 0 HB2 TRP A 93 60.774 -0.487 3.471 1.00 0.00 H new ATOM 0 HB3 TRP A 93 60.484 1.059 2.699 1.00 0.00 H new ATOM 0 HD1 TRP A 93 60.404 -2.473 1.920 1.00 0.00 H new ATOM 0 HE1 TRP A 93 60.532 -2.946 -0.619 1.00 0.00 H new ATOM 0 HE3 TRP A 93 61.995 2.111 0.334 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 61.246 -1.487 -3.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 62.394 2.544 -2.073 1.00 0.00 H new ATOM 0 HH2 TRP A 93 62.020 0.751 -3.744 1.00 0.00 H new ATOM 1374 N VAL A 94 62.768 2.929 3.710 1.00 0.00 N ATOM 1375 CA VAL A 94 62.778 4.044 4.707 1.00 0.00 C ATOM 1376 C VAL A 94 61.490 4.856 4.570 1.00 0.00 C ATOM 1377 O VAL A 94 61.193 5.403 3.520 1.00 0.00 O ATOM 1378 CB VAL A 94 63.981 4.948 4.435 1.00 0.00 C ATOM 1379 CG1 VAL A 94 64.123 5.973 5.564 1.00 0.00 C ATOM 1380 CG2 VAL A 94 65.244 4.093 4.359 1.00 0.00 C ATOM 0 H VAL A 94 62.921 3.217 2.744 1.00 0.00 H new ATOM 0 HA VAL A 94 62.846 3.637 5.716 1.00 0.00 H new ATOM 0 HB VAL A 94 63.836 5.474 3.491 1.00 0.00 H new ATOM 0 HG11 VAL A 94 64.981 6.615 5.367 1.00 0.00 H new ATOM 0 HG12 VAL A 94 63.220 6.581 5.619 1.00 0.00 H new ATOM 0 HG13 VAL A 94 64.269 5.453 6.511 1.00 0.00 H new ATOM 0 HG21 VAL A 94 66.105 4.732 4.165 1.00 0.00 H new ATOM 0 HG22 VAL A 94 65.386 3.569 5.304 1.00 0.00 H new ATOM 0 HG23 VAL A 94 65.143 3.366 3.553 1.00 0.00 H new ATOM 1390 N GLY A 95 60.726 4.934 5.631 1.00 0.00 N ATOM 1391 CA GLY A 95 59.443 5.699 5.601 1.00 0.00 C ATOM 1392 C GLY A 95 58.408 4.971 6.462 1.00 0.00 C ATOM 1393 O GLY A 95 57.375 4.543 5.985 1.00 0.00 O ATOM 0 H GLY A 95 60.940 4.495 6.526 1.00 0.00 H new ATOM 0 HA2 GLY A 95 59.599 6.711 5.975 1.00 0.00 H new ATOM 0 HA3 GLY A 95 59.083 5.790 4.576 1.00 0.00 H new