USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 849 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 83 SER OG : rot -99:sc= 0.153 USER MOD Set 1.2: A 85 ASN : amide:sc= 0.0662 X(o=0.22,f=-0.19) USER MOD Set 2.1: A 33 MET CE :methyl -114:sc= -3.45! (180deg=-5.28!) USER MOD Set 2.2: A 37 THR OG1 : rot -111:sc= 0.902 USER MOD Set 3.1: A 28 SER OG : rot 110:sc= 0.902 USER MOD Set 3.2: A 67 ASN : amide:sc= -0.676! C(o=0.23!,f=-4.2!) USER MOD Single : A 3 ASN : amide:sc= -0.535 K(o=-0.54,f=-4!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -173:sc=-0.00968 (180deg=-0.0882) USER MOD Single : A 8 SER OG : rot 49:sc= 1.18 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -168:sc= 1.3 (180deg=1.13) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0.272 K(o=0.27,f=-2.8!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.374 USER MOD Single : A 26 SER OG : rot -37:sc= 0.423 USER MOD Single : A 31 HIS : no HE2:sc= -2.08 K(o=-2.1,f=-9.5!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 103:sc= 0.00116 USER MOD Single : A 39 LYS NZ :NH3+ -149:sc= 2.2 (180deg=1.31) USER MOD Single : A 43 LYS NZ :NH3+ -170:sc=-0.00132 (180deg=-0.141) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS :FLIP no HD1:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -168:sc= 1.27 (180deg=1.18) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0434) USER MOD Single : A 91 ASN : amide:sc= 0.325 K(o=0.33,f=-0.77) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0396 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl -161:sc= -0.0931 (180deg=-0.905) USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-0.83!) USER MOD Single : A 102 GLN : amide:sc= -0.207 K(o=-0.21,f=-0.71) USER MOD Single : A 104 LYS NZ :NH3+ 150:sc= 0.815 (180deg=-0.153) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 2 14.260 6.086 24.934 1.00 0.00 N ATOM 2 CA VAL A 2 14.294 4.690 24.535 1.00 0.00 C ATOM 3 C VAL A 2 13.827 4.561 23.089 1.00 0.00 C ATOM 4 O VAL A 2 12.679 4.211 22.817 1.00 0.00 O ATOM 5 CB VAL A 2 13.418 3.803 25.449 1.00 0.00 C ATOM 6 CG1 VAL A 2 13.621 2.329 25.135 1.00 0.00 C ATOM 7 CG2 VAL A 2 13.720 4.076 26.913 1.00 0.00 C ATOM 0 HA VAL A 2 15.323 4.342 24.629 1.00 0.00 H new ATOM 0 HB VAL A 2 12.375 4.053 25.257 1.00 0.00 H new ATOM 0 HG11 VAL A 2 12.993 1.727 25.792 1.00 0.00 H new ATOM 0 HG12 VAL A 2 13.349 2.137 24.097 1.00 0.00 H new ATOM 0 HG13 VAL A 2 14.667 2.065 25.290 1.00 0.00 H new ATOM 0 HG21 VAL A 2 13.092 3.441 27.538 1.00 0.00 H new ATOM 0 HG22 VAL A 2 14.769 3.860 27.114 1.00 0.00 H new ATOM 0 HG23 VAL A 2 13.515 5.123 27.138 1.00 0.00 H new ATOM 17 N ASN A 3 14.710 4.907 22.169 1.00 0.00 N ATOM 18 CA ASN A 3 14.407 4.833 20.747 1.00 0.00 C ATOM 19 C ASN A 3 15.630 4.326 19.998 1.00 0.00 C ATOM 20 O ASN A 3 16.663 4.996 19.940 1.00 0.00 O ATOM 21 CB ASN A 3 13.962 6.209 20.225 1.00 0.00 C ATOM 22 CG ASN A 3 13.517 6.195 18.769 1.00 0.00 C ATOM 23 OD1 ASN A 3 14.058 5.467 17.937 1.00 0.00 O ATOM 24 ND2 ASN A 3 12.506 6.992 18.450 1.00 0.00 N ATOM 0 H ASN A 3 15.649 5.244 22.381 1.00 0.00 H new ATOM 0 HA ASN A 3 13.585 4.136 20.582 1.00 0.00 H new ATOM 0 HB2 ASN A 3 13.142 6.575 20.843 1.00 0.00 H new ATOM 0 HB3 ASN A 3 14.785 6.914 20.338 1.00 0.00 H new ATOM 0 HD21 ASN A 3 12.156 7.013 17.492 1.00 0.00 H new ATOM 0 HD22 ASN A 3 12.079 7.584 19.162 1.00 0.00 H new ATOM 31 N PHE A 4 15.514 3.129 19.450 1.00 0.00 N ATOM 32 CA PHE A 4 16.632 2.480 18.793 1.00 0.00 C ATOM 33 C PHE A 4 16.539 2.655 17.285 1.00 0.00 C ATOM 34 O PHE A 4 15.707 2.029 16.627 1.00 0.00 O ATOM 35 CB PHE A 4 16.660 0.994 19.149 1.00 0.00 C ATOM 36 CG PHE A 4 16.589 0.732 20.625 1.00 0.00 C ATOM 37 CD1 PHE A 4 17.701 0.912 21.431 1.00 0.00 C ATOM 38 CD2 PHE A 4 15.408 0.300 21.203 1.00 0.00 C ATOM 39 CE1 PHE A 4 17.634 0.664 22.789 1.00 0.00 C ATOM 40 CE2 PHE A 4 15.333 0.052 22.560 1.00 0.00 C ATOM 41 CZ PHE A 4 16.448 0.233 23.354 1.00 0.00 C ATOM 0 H PHE A 4 14.651 2.585 19.448 1.00 0.00 H new ATOM 0 HA PHE A 4 17.555 2.945 19.139 1.00 0.00 H new ATOM 0 HB2 PHE A 4 15.824 0.495 18.659 1.00 0.00 H new ATOM 0 HB3 PHE A 4 17.573 0.550 18.753 1.00 0.00 H new ATOM 0 HD1 PHE A 4 18.629 1.249 20.994 1.00 0.00 H new ATOM 0 HD2 PHE A 4 14.534 0.155 20.585 1.00 0.00 H new ATOM 0 HE1 PHE A 4 18.507 0.807 23.408 1.00 0.00 H new ATOM 0 HE2 PHE A 4 14.405 -0.283 22.999 1.00 0.00 H new ATOM 0 HZ PHE A 4 16.394 0.038 24.415 1.00 0.00 H new ATOM 51 N LYS A 5 17.378 3.522 16.745 1.00 0.00 N ATOM 52 CA LYS A 5 17.412 3.746 15.311 1.00 0.00 C ATOM 53 C LYS A 5 18.145 2.593 14.631 1.00 0.00 C ATOM 54 O LYS A 5 19.371 2.493 14.694 1.00 0.00 O ATOM 55 CB LYS A 5 18.078 5.085 14.991 1.00 0.00 C ATOM 56 CG LYS A 5 17.432 6.259 15.714 1.00 0.00 C ATOM 57 CD LYS A 5 18.056 7.591 15.329 1.00 0.00 C ATOM 58 CE LYS A 5 17.805 7.927 13.869 1.00 0.00 C ATOM 59 NZ LYS A 5 18.319 9.275 13.515 1.00 0.00 N ATOM 0 H LYS A 5 18.044 4.082 17.278 1.00 0.00 H new ATOM 0 HA LYS A 5 16.391 3.785 14.930 1.00 0.00 H new ATOM 0 HB2 LYS A 5 19.132 5.034 15.262 1.00 0.00 H new ATOM 0 HB3 LYS A 5 18.034 5.259 13.916 1.00 0.00 H new ATOM 0 HG2 LYS A 5 16.366 6.281 15.486 1.00 0.00 H new ATOM 0 HG3 LYS A 5 17.525 6.115 16.790 1.00 0.00 H new ATOM 0 HD2 LYS A 5 17.647 8.380 15.960 1.00 0.00 H new ATOM 0 HD3 LYS A 5 19.129 7.558 15.516 1.00 0.00 H new ATOM 0 HE2 LYS A 5 18.283 7.179 13.237 1.00 0.00 H new ATOM 0 HE3 LYS A 5 16.735 7.881 13.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 18.128 9.467 12.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 17.845 9.992 14.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 19.344 9.311 13.686 1.00 0.00 H new ATOM 73 N ASP A 6 17.377 1.717 14.003 1.00 0.00 N ATOM 74 CA ASP A 6 17.912 0.489 13.423 1.00 0.00 C ATOM 75 C ASP A 6 18.366 0.707 11.985 1.00 0.00 C ATOM 76 O ASP A 6 18.514 1.844 11.538 1.00 0.00 O ATOM 77 CB ASP A 6 16.856 -0.617 13.466 1.00 0.00 C ATOM 78 CG ASP A 6 15.688 -0.341 12.542 1.00 0.00 C ATOM 79 OD1 ASP A 6 14.884 0.569 12.841 1.00 0.00 O ATOM 80 OD2 ASP A 6 15.573 -1.024 11.506 1.00 0.00 O ATOM 0 H ASP A 6 16.371 1.833 13.880 1.00 0.00 H new ATOM 0 HA ASP A 6 18.778 0.191 14.014 1.00 0.00 H new ATOM 0 HB2 ASP A 6 17.317 -1.566 13.190 1.00 0.00 H new ATOM 0 HB3 ASP A 6 16.490 -0.725 14.487 1.00 0.00 H new ATOM 85 N LYS A 7 18.599 -0.389 11.270 1.00 0.00 N ATOM 86 CA LYS A 7 19.057 -0.325 9.893 1.00 0.00 C ATOM 87 C LYS A 7 18.015 -0.941 8.965 1.00 0.00 C ATOM 88 O LYS A 7 17.922 -2.166 8.842 1.00 0.00 O ATOM 89 CB LYS A 7 20.402 -1.051 9.721 1.00 0.00 C ATOM 90 CG LYS A 7 21.537 -0.493 10.580 1.00 0.00 C ATOM 91 CD LYS A 7 21.446 -0.959 12.026 1.00 0.00 C ATOM 92 CE LYS A 7 22.526 -0.331 12.895 1.00 0.00 C ATOM 93 NZ LYS A 7 23.893 -0.706 12.448 1.00 0.00 N ATOM 0 H LYS A 7 18.476 -1.336 11.627 1.00 0.00 H new ATOM 0 HA LYS A 7 19.198 0.724 9.633 1.00 0.00 H new ATOM 0 HB2 LYS A 7 20.265 -2.105 9.962 1.00 0.00 H new ATOM 0 HB3 LYS A 7 20.697 -0.999 8.673 1.00 0.00 H new ATOM 0 HG2 LYS A 7 22.494 -0.802 10.160 1.00 0.00 H new ATOM 0 HG3 LYS A 7 21.512 0.596 10.549 1.00 0.00 H new ATOM 0 HD2 LYS A 7 20.465 -0.706 12.428 1.00 0.00 H new ATOM 0 HD3 LYS A 7 21.536 -2.045 12.064 1.00 0.00 H new ATOM 0 HE2 LYS A 7 22.423 0.754 12.873 1.00 0.00 H new ATOM 0 HE3 LYS A 7 22.385 -0.644 13.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 24.591 -0.356 13.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 23.964 -1.741 12.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 24.082 -0.284 11.516 1.00 0.00 H new ATOM 107 N SER A 8 17.222 -0.093 8.327 1.00 0.00 N ATOM 108 CA SER A 8 16.188 -0.551 7.412 1.00 0.00 C ATOM 109 C SER A 8 16.310 0.171 6.073 1.00 0.00 C ATOM 110 O SER A 8 17.188 1.012 5.890 1.00 0.00 O ATOM 111 CB SER A 8 14.796 -0.320 8.016 1.00 0.00 C ATOM 112 OG SER A 8 14.560 -1.172 9.126 1.00 0.00 O ATOM 0 H SER A 8 17.276 0.921 8.427 1.00 0.00 H new ATOM 0 HA SER A 8 16.320 -1.620 7.247 1.00 0.00 H new ATOM 0 HB2 SER A 8 14.702 0.720 8.329 1.00 0.00 H new ATOM 0 HB3 SER A 8 14.035 -0.494 7.255 1.00 0.00 H new ATOM 0 HG SER A 8 15.323 -1.128 9.740 1.00 0.00 H new ATOM 118 N MET A 9 15.441 -0.179 5.135 1.00 0.00 N ATOM 119 CA MET A 9 15.403 0.485 3.837 1.00 0.00 C ATOM 120 C MET A 9 14.495 1.715 3.904 1.00 0.00 C ATOM 121 O MET A 9 13.274 1.599 4.013 1.00 0.00 O ATOM 122 CB MET A 9 14.951 -0.493 2.744 1.00 0.00 C ATOM 123 CG MET A 9 13.687 -1.272 3.081 1.00 0.00 C ATOM 124 SD MET A 9 13.299 -2.529 1.851 1.00 0.00 S ATOM 125 CE MET A 9 11.796 -3.222 2.532 1.00 0.00 C ATOM 0 H MET A 9 14.750 -0.921 5.248 1.00 0.00 H new ATOM 0 HA MET A 9 16.407 0.821 3.579 1.00 0.00 H new ATOM 0 HB2 MET A 9 14.785 0.063 1.821 1.00 0.00 H new ATOM 0 HB3 MET A 9 15.758 -1.200 2.549 1.00 0.00 H new ATOM 0 HG2 MET A 9 13.806 -1.747 4.055 1.00 0.00 H new ATOM 0 HG3 MET A 9 12.849 -0.580 3.164 1.00 0.00 H new ATOM 0 HE1 MET A 9 11.433 -4.016 1.879 1.00 0.00 H new ATOM 0 HE2 MET A 9 12.000 -3.631 3.522 1.00 0.00 H new ATOM 0 HE3 MET A 9 11.039 -2.442 2.610 1.00 0.00 H new ATOM 135 N PRO A 10 15.101 2.912 3.851 1.00 0.00 N ATOM 136 CA PRO A 10 14.402 4.179 4.109 1.00 0.00 C ATOM 137 C PRO A 10 13.361 4.552 3.054 1.00 0.00 C ATOM 138 O PRO A 10 12.172 4.670 3.353 1.00 0.00 O ATOM 139 CB PRO A 10 15.532 5.214 4.129 1.00 0.00 C ATOM 140 CG PRO A 10 16.633 4.606 3.332 1.00 0.00 C ATOM 141 CD PRO A 10 16.528 3.122 3.538 1.00 0.00 C ATOM 0 HA PRO A 10 13.826 4.117 5.032 1.00 0.00 H new ATOM 0 HB2 PRO A 10 15.207 6.160 3.695 1.00 0.00 H new ATOM 0 HB3 PRO A 10 15.854 5.425 5.149 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.536 4.860 2.277 1.00 0.00 H new ATOM 0 HG3 PRO A 10 17.603 4.977 3.662 1.00 0.00 H new ATOM 0 HD2 PRO A 10 16.827 2.572 2.646 1.00 0.00 H new ATOM 0 HD3 PRO A 10 17.170 2.784 4.351 1.00 0.00 H new ATOM 149 N THR A 11 13.805 4.721 1.823 1.00 0.00 N ATOM 150 CA THR A 11 12.949 5.259 0.776 1.00 0.00 C ATOM 151 C THR A 11 11.984 4.212 0.233 1.00 0.00 C ATOM 152 O THR A 11 11.097 4.534 -0.555 1.00 0.00 O ATOM 153 CB THR A 11 13.775 5.849 -0.385 1.00 0.00 C ATOM 154 OG1 THR A 11 14.664 4.859 -0.918 1.00 0.00 O ATOM 155 CG2 THR A 11 14.576 7.056 0.081 1.00 0.00 C ATOM 0 H THR A 11 14.753 4.494 1.521 1.00 0.00 H new ATOM 0 HA THR A 11 12.368 6.057 1.238 1.00 0.00 H new ATOM 0 HB THR A 11 13.082 6.167 -1.164 1.00 0.00 H new ATOM 0 HG1 THR A 11 15.181 5.246 -1.655 1.00 0.00 H new ATOM 0 HG21 THR A 11 15.151 7.456 -0.754 1.00 0.00 H new ATOM 0 HG22 THR A 11 13.896 7.822 0.453 1.00 0.00 H new ATOM 0 HG23 THR A 11 15.256 6.756 0.878 1.00 0.00 H new ATOM 163 N ALA A 12 12.143 2.969 0.671 1.00 0.00 N ATOM 164 CA ALA A 12 11.276 1.890 0.220 1.00 0.00 C ATOM 165 C ALA A 12 9.844 2.135 0.674 1.00 0.00 C ATOM 166 O ALA A 12 8.900 2.030 -0.109 1.00 0.00 O ATOM 167 CB ALA A 12 11.775 0.557 0.745 1.00 0.00 C ATOM 0 H ALA A 12 12.862 2.685 1.336 1.00 0.00 H new ATOM 0 HA ALA A 12 11.295 1.863 -0.870 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.116 -0.240 0.399 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.786 0.377 0.379 1.00 0.00 H new ATOM 0 HB3 ALA A 12 11.782 0.575 1.835 1.00 0.00 H new ATOM 173 N ILE A 13 9.701 2.491 1.944 1.00 0.00 N ATOM 174 CA ILE A 13 8.396 2.765 2.522 1.00 0.00 C ATOM 175 C ILE A 13 7.835 4.065 1.962 1.00 0.00 C ATOM 176 O ILE A 13 6.650 4.160 1.645 1.00 0.00 O ATOM 177 CB ILE A 13 8.486 2.862 4.059 1.00 0.00 C ATOM 178 CG1 ILE A 13 9.163 1.608 4.620 1.00 0.00 C ATOM 179 CG2 ILE A 13 7.100 3.039 4.668 1.00 0.00 C ATOM 180 CD1 ILE A 13 9.537 1.723 6.081 1.00 0.00 C ATOM 0 H ILE A 13 10.479 2.597 2.595 1.00 0.00 H new ATOM 0 HA ILE A 13 7.731 1.942 2.261 1.00 0.00 H new ATOM 0 HB ILE A 13 9.085 3.734 4.322 1.00 0.00 H new ATOM 0 HG12 ILE A 13 8.495 0.756 4.491 1.00 0.00 H new ATOM 0 HG13 ILE A 13 10.061 1.400 4.039 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.185 3.105 5.753 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.647 3.953 4.283 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.475 2.186 4.405 1.00 0.00 H new ATOM 0 HD11 ILE A 13 10.012 0.798 6.409 1.00 0.00 H new ATOM 0 HD12 ILE A 13 10.230 2.554 6.215 1.00 0.00 H new ATOM 0 HD13 ILE A 13 8.639 1.900 6.673 1.00 0.00 H new ATOM 192 N GLU A 14 8.707 5.055 1.816 1.00 0.00 N ATOM 193 CA GLU A 14 8.310 6.364 1.319 1.00 0.00 C ATOM 194 C GLU A 14 7.830 6.275 -0.131 1.00 0.00 C ATOM 195 O GLU A 14 6.854 6.920 -0.510 1.00 0.00 O ATOM 196 CB GLU A 14 9.476 7.346 1.439 1.00 0.00 C ATOM 197 CG GLU A 14 9.113 8.776 1.084 1.00 0.00 C ATOM 198 CD GLU A 14 10.245 9.744 1.348 1.00 0.00 C ATOM 199 OE1 GLU A 14 11.171 9.826 0.514 1.00 0.00 O ATOM 200 OE2 GLU A 14 10.212 10.437 2.384 1.00 0.00 O ATOM 0 H GLU A 14 9.700 4.974 2.037 1.00 0.00 H new ATOM 0 HA GLU A 14 7.480 6.727 1.926 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.856 7.321 2.460 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.286 7.015 0.789 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.835 8.826 0.031 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.238 9.079 1.660 1.00 0.00 H new ATOM 207 N LYS A 15 8.510 5.464 -0.935 1.00 0.00 N ATOM 208 CA LYS A 15 8.129 5.287 -2.331 1.00 0.00 C ATOM 209 C LYS A 15 6.801 4.545 -2.435 1.00 0.00 C ATOM 210 O LYS A 15 5.987 4.832 -3.312 1.00 0.00 O ATOM 211 CB LYS A 15 9.222 4.539 -3.103 1.00 0.00 C ATOM 212 CG LYS A 15 8.952 4.445 -4.598 1.00 0.00 C ATOM 213 CD LYS A 15 8.704 5.820 -5.202 1.00 0.00 C ATOM 214 CE LYS A 15 8.341 5.725 -6.674 1.00 0.00 C ATOM 215 NZ LYS A 15 7.886 7.032 -7.213 1.00 0.00 N ATOM 0 H LYS A 15 9.324 4.921 -0.645 1.00 0.00 H new ATOM 0 HA LYS A 15 8.009 6.274 -2.777 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.176 5.041 -2.945 1.00 0.00 H new ATOM 0 HB3 LYS A 15 9.320 3.533 -2.695 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.801 3.975 -5.094 1.00 0.00 H new ATOM 0 HG3 LYS A 15 8.086 3.806 -4.774 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.900 6.317 -4.659 1.00 0.00 H new ATOM 0 HD3 LYS A 15 9.596 6.436 -5.085 1.00 0.00 H new ATOM 0 HE2 LYS A 15 9.206 5.379 -7.240 1.00 0.00 H new ATOM 0 HE3 LYS A 15 7.554 4.982 -6.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 7.458 6.891 -8.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 7.182 7.447 -6.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 8.699 7.675 -7.297 1.00 0.00 H new ATOM 229 N ALA A 16 6.584 3.597 -1.532 1.00 0.00 N ATOM 230 CA ALA A 16 5.317 2.878 -1.479 1.00 0.00 C ATOM 231 C ALA A 16 4.178 3.838 -1.152 1.00 0.00 C ATOM 232 O ALA A 16 3.098 3.770 -1.741 1.00 0.00 O ATOM 233 CB ALA A 16 5.383 1.754 -0.453 1.00 0.00 C ATOM 0 H ALA A 16 7.265 3.309 -0.829 1.00 0.00 H new ATOM 0 HA ALA A 16 5.127 2.436 -2.457 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.428 1.228 -0.427 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.174 1.056 -0.728 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.594 2.172 0.531 1.00 0.00 H new ATOM 239 N LEU A 17 4.437 4.747 -0.219 1.00 0.00 N ATOM 240 CA LEU A 17 3.460 5.759 0.164 1.00 0.00 C ATOM 241 C LEU A 17 3.210 6.729 -0.986 1.00 0.00 C ATOM 242 O LEU A 17 2.102 7.234 -1.151 1.00 0.00 O ATOM 243 CB LEU A 17 3.946 6.518 1.401 1.00 0.00 C ATOM 244 CG LEU A 17 4.124 5.658 2.654 1.00 0.00 C ATOM 245 CD1 LEU A 17 4.779 6.457 3.770 1.00 0.00 C ATOM 246 CD2 LEU A 17 2.784 5.101 3.114 1.00 0.00 C ATOM 0 H LEU A 17 5.320 4.804 0.288 1.00 0.00 H new ATOM 0 HA LEU A 17 2.521 5.260 0.402 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.898 6.995 1.167 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.236 7.315 1.623 1.00 0.00 H new ATOM 0 HG LEU A 17 4.779 4.823 2.403 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.895 5.825 4.650 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.758 6.805 3.442 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.154 7.314 4.019 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.930 4.492 4.006 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.107 5.924 3.343 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.354 4.488 2.322 1.00 0.00 H new ATOM 258 N ASP A 18 4.252 6.972 -1.778 1.00 0.00 N ATOM 259 CA ASP A 18 4.151 7.817 -2.971 1.00 0.00 C ATOM 260 C ASP A 18 3.093 7.282 -3.933 1.00 0.00 C ATOM 261 O ASP A 18 2.278 8.045 -4.457 1.00 0.00 O ATOM 262 CB ASP A 18 5.516 7.903 -3.668 1.00 0.00 C ATOM 263 CG ASP A 18 5.433 8.439 -5.087 1.00 0.00 C ATOM 264 OD1 ASP A 18 5.226 9.657 -5.266 1.00 0.00 O ATOM 265 OD2 ASP A 18 5.593 7.642 -6.035 1.00 0.00 O ATOM 0 H ASP A 18 5.185 6.593 -1.615 1.00 0.00 H new ATOM 0 HA ASP A 18 3.847 8.817 -2.661 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.175 8.544 -3.083 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.970 6.912 -3.687 1.00 0.00 H new ATOM 270 N PHE A 19 3.102 5.969 -4.149 1.00 0.00 N ATOM 271 CA PHE A 19 2.102 5.324 -4.997 1.00 0.00 C ATOM 272 C PHE A 19 0.706 5.474 -4.406 1.00 0.00 C ATOM 273 O PHE A 19 -0.257 5.733 -5.123 1.00 0.00 O ATOM 274 CB PHE A 19 2.406 3.834 -5.171 1.00 0.00 C ATOM 275 CG PHE A 19 3.511 3.531 -6.143 1.00 0.00 C ATOM 276 CD1 PHE A 19 3.271 3.549 -7.509 1.00 0.00 C ATOM 277 CD2 PHE A 19 4.782 3.219 -5.695 1.00 0.00 C ATOM 278 CE1 PHE A 19 4.279 3.263 -8.406 1.00 0.00 C ATOM 279 CE2 PHE A 19 5.794 2.929 -6.589 1.00 0.00 C ATOM 280 CZ PHE A 19 5.540 2.953 -7.945 1.00 0.00 C ATOM 0 H PHE A 19 3.790 5.331 -3.749 1.00 0.00 H new ATOM 0 HA PHE A 19 2.140 5.817 -5.968 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.669 3.414 -4.200 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.499 3.328 -5.502 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.284 3.790 -7.874 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.985 3.202 -4.634 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.080 3.282 -9.467 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.782 2.684 -6.228 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.330 2.729 -8.646 1.00 0.00 H new ATOM 290 N ILE A 20 0.610 5.305 -3.092 1.00 0.00 N ATOM 291 CA ILE A 20 -0.677 5.338 -2.405 1.00 0.00 C ATOM 292 C ILE A 20 -1.270 6.745 -2.387 1.00 0.00 C ATOM 293 O ILE A 20 -2.402 6.951 -2.816 1.00 0.00 O ATOM 294 CB ILE A 20 -0.549 4.813 -0.956 1.00 0.00 C ATOM 295 CG1 ILE A 20 0.009 3.388 -0.960 1.00 0.00 C ATOM 296 CG2 ILE A 20 -1.897 4.855 -0.250 1.00 0.00 C ATOM 297 CD1 ILE A 20 0.238 2.812 0.424 1.00 0.00 C ATOM 0 H ILE A 20 1.410 5.143 -2.480 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.349 4.686 -2.962 1.00 0.00 H new ATOM 0 HB ILE A 20 0.141 5.458 -0.412 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.680 2.740 -1.503 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.952 3.379 -1.507 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.786 4.482 0.768 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.261 5.882 -0.222 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.610 4.231 -0.790 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.634 1.800 0.336 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.951 3.435 0.964 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.706 2.786 0.968 1.00 0.00 H new ATOM 309 N GLY A 21 -0.499 7.710 -1.894 1.00 0.00 N ATOM 310 CA GLY A 21 -0.989 9.069 -1.769 1.00 0.00 C ATOM 311 C GLY A 21 -1.297 9.709 -3.110 1.00 0.00 C ATOM 312 O GLY A 21 -2.410 10.190 -3.334 1.00 0.00 O ATOM 0 H GLY A 21 0.461 7.573 -1.578 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.890 9.070 -1.155 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.246 9.671 -1.246 1.00 0.00 H new ATOM 316 N GLY A 22 -0.315 9.703 -4.004 1.00 0.00 N ATOM 317 CA GLY A 22 -0.480 10.347 -5.294 1.00 0.00 C ATOM 318 C GLY A 22 -0.653 11.850 -5.159 1.00 0.00 C ATOM 319 O GLY A 22 0.279 12.556 -4.778 1.00 0.00 O ATOM 0 H GLY A 22 0.594 9.263 -3.858 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.388 10.136 -5.919 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.348 9.926 -5.802 1.00 0.00 H new ATOM 323 N MET A 23 -1.847 12.338 -5.460 1.00 0.00 N ATOM 324 CA MET A 23 -2.151 13.759 -5.319 1.00 0.00 C ATOM 325 C MET A 23 -3.104 13.981 -4.154 1.00 0.00 C ATOM 326 O MET A 23 -2.921 14.904 -3.359 1.00 0.00 O ATOM 327 CB MET A 23 -2.775 14.322 -6.601 1.00 0.00 C ATOM 328 CG MET A 23 -1.818 14.396 -7.777 1.00 0.00 C ATOM 329 SD MET A 23 -2.575 15.173 -9.222 1.00 0.00 S ATOM 330 CE MET A 23 -1.194 15.195 -10.363 1.00 0.00 C ATOM 0 H MET A 23 -2.623 11.773 -5.804 1.00 0.00 H new ATOM 0 HA MET A 23 -1.214 14.282 -5.129 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.628 13.703 -6.879 1.00 0.00 H new ATOM 0 HB3 MET A 23 -3.160 15.321 -6.396 1.00 0.00 H new ATOM 0 HG2 MET A 23 -0.931 14.958 -7.487 1.00 0.00 H new ATOM 0 HG3 MET A 23 -1.487 13.391 -8.038 1.00 0.00 H new ATOM 0 HE1 MET A 23 -1.507 15.647 -11.304 1.00 0.00 H new ATOM 0 HE2 MET A 23 -0.377 15.776 -9.935 1.00 0.00 H new ATOM 0 HE3 MET A 23 -0.856 14.175 -10.545 1.00 0.00 H new ATOM 340 N ASN A 24 -4.107 13.106 -4.062 1.00 0.00 N ATOM 341 CA ASN A 24 -5.163 13.199 -3.053 1.00 0.00 C ATOM 342 C ASN A 24 -5.781 14.596 -3.038 1.00 0.00 C ATOM 343 O ASN A 24 -5.547 15.394 -2.129 1.00 0.00 O ATOM 344 CB ASN A 24 -4.639 12.817 -1.663 1.00 0.00 C ATOM 345 CG ASN A 24 -5.755 12.634 -0.646 1.00 0.00 C ATOM 346 OD1 ASN A 24 -6.099 13.550 0.101 1.00 0.00 O ATOM 347 ND2 ASN A 24 -6.337 11.445 -0.617 1.00 0.00 N ATOM 0 H ASN A 24 -4.210 12.308 -4.689 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.943 12.486 -3.321 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.065 11.893 -1.737 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.956 13.590 -1.312 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -7.097 11.265 0.039 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -6.026 10.709 -1.251 1.00 0.00 H new ATOM 354 N THR A 25 -6.533 14.897 -4.085 1.00 0.00 N ATOM 355 CA THR A 25 -7.188 16.188 -4.211 1.00 0.00 C ATOM 356 C THR A 25 -8.685 16.070 -3.937 1.00 0.00 C ATOM 357 O THR A 25 -9.157 16.396 -2.850 1.00 0.00 O ATOM 358 CB THR A 25 -6.959 16.777 -5.618 1.00 0.00 C ATOM 359 OG1 THR A 25 -7.222 15.773 -6.614 1.00 0.00 O ATOM 360 CG2 THR A 25 -5.535 17.294 -5.768 1.00 0.00 C ATOM 0 H THR A 25 -6.705 14.261 -4.863 1.00 0.00 H new ATOM 0 HA THR A 25 -6.751 16.857 -3.470 1.00 0.00 H new ATOM 0 HB THR A 25 -7.643 17.615 -5.755 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.077 16.152 -7.506 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.400 17.704 -6.769 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.351 18.074 -5.029 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.832 16.475 -5.614 1.00 0.00 H new ATOM 368 N SER A 26 -9.424 15.584 -4.924 1.00 0.00 N ATOM 369 CA SER A 26 -10.859 15.395 -4.781 1.00 0.00 C ATOM 370 C SER A 26 -11.164 13.920 -4.533 1.00 0.00 C ATOM 371 O SER A 26 -12.324 13.511 -4.451 1.00 0.00 O ATOM 372 CB SER A 26 -11.585 15.892 -6.038 1.00 0.00 C ATOM 373 OG SER A 26 -12.995 15.845 -5.880 1.00 0.00 O ATOM 0 H SER A 26 -9.052 15.313 -5.834 1.00 0.00 H new ATOM 0 HA SER A 26 -11.213 15.974 -3.928 1.00 0.00 H new ATOM 0 HB2 SER A 26 -11.277 16.914 -6.257 1.00 0.00 H new ATOM 0 HB3 SER A 26 -11.293 15.281 -6.893 1.00 0.00 H new ATOM 0 HG SER A 26 -13.240 15.046 -5.369 1.00 0.00 H new ATOM 379 N ALA A 27 -10.107 13.127 -4.407 1.00 0.00 N ATOM 380 CA ALA A 27 -10.246 11.702 -4.185 1.00 0.00 C ATOM 381 C ALA A 27 -10.344 11.396 -2.700 1.00 0.00 C ATOM 382 O ALA A 27 -9.389 11.579 -1.946 1.00 0.00 O ATOM 383 CB ALA A 27 -9.089 10.945 -4.805 1.00 0.00 C ATOM 0 H ALA A 27 -9.142 13.453 -4.456 1.00 0.00 H new ATOM 0 HA ALA A 27 -11.168 11.374 -4.666 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.215 9.877 -4.626 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -9.065 11.132 -5.879 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.153 11.280 -4.357 1.00 0.00 H new ATOM 389 N SER A 28 -11.513 10.950 -2.288 1.00 0.00 N ATOM 390 CA SER A 28 -11.781 10.624 -0.895 1.00 0.00 C ATOM 391 C SER A 28 -12.896 9.596 -0.829 1.00 0.00 C ATOM 392 O SER A 28 -12.757 8.540 -0.211 1.00 0.00 O ATOM 393 CB SER A 28 -12.176 11.883 -0.136 1.00 0.00 C ATOM 394 OG SER A 28 -11.131 12.840 -0.163 1.00 0.00 O ATOM 0 H SER A 28 -12.309 10.802 -2.909 1.00 0.00 H new ATOM 0 HA SER A 28 -10.884 10.210 -0.435 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.077 12.310 -0.577 1.00 0.00 H new ATOM 0 HB3 SER A 28 -12.416 11.630 0.897 1.00 0.00 H new ATOM 0 HG SER A 28 -11.394 13.596 -0.729 1.00 0.00 H new ATOM 400 N VAL A 29 -13.997 9.915 -1.491 1.00 0.00 N ATOM 401 CA VAL A 29 -15.097 8.980 -1.656 1.00 0.00 C ATOM 402 C VAL A 29 -15.158 8.522 -3.118 1.00 0.00 C ATOM 403 O VAL A 29 -15.246 7.322 -3.380 1.00 0.00 O ATOM 404 CB VAL A 29 -16.452 9.568 -1.195 1.00 0.00 C ATOM 405 CG1 VAL A 29 -17.562 8.540 -1.331 1.00 0.00 C ATOM 406 CG2 VAL A 29 -16.356 10.057 0.242 1.00 0.00 C ATOM 0 H VAL A 29 -14.152 10.824 -1.927 1.00 0.00 H new ATOM 0 HA VAL A 29 -14.909 8.120 -1.013 1.00 0.00 H new ATOM 0 HB VAL A 29 -16.692 10.415 -1.837 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -18.505 8.977 -1.001 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -17.649 8.234 -2.374 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -17.330 7.670 -0.716 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -17.317 10.468 0.552 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -16.091 9.224 0.893 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -15.591 10.830 0.313 1.00 0.00 H new ATOM 416 N PRO A 30 -15.097 9.455 -4.103 1.00 0.00 N ATOM 417 CA PRO A 30 -14.845 9.080 -5.493 1.00 0.00 C ATOM 418 C PRO A 30 -13.423 8.552 -5.635 1.00 0.00 C ATOM 419 O PRO A 30 -12.454 9.300 -5.483 1.00 0.00 O ATOM 420 CB PRO A 30 -15.013 10.385 -6.283 1.00 0.00 C ATOM 421 CG PRO A 30 -15.702 11.323 -5.355 1.00 0.00 C ATOM 422 CD PRO A 30 -15.296 10.910 -3.970 1.00 0.00 C ATOM 0 HA PRO A 30 -15.516 8.297 -5.846 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -14.047 10.781 -6.597 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -15.601 10.224 -7.187 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -15.411 12.354 -5.556 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -16.784 11.268 -5.477 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -14.385 11.414 -3.649 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -16.066 11.147 -3.236 1.00 0.00 H new ATOM 430 N HIS A 31 -13.298 7.260 -5.884 1.00 0.00 N ATOM 431 CA HIS A 31 -11.999 6.606 -5.890 1.00 0.00 C ATOM 432 C HIS A 31 -11.807 5.751 -7.136 1.00 0.00 C ATOM 433 O HIS A 31 -12.378 4.670 -7.250 1.00 0.00 O ATOM 434 CB HIS A 31 -11.852 5.738 -4.641 1.00 0.00 C ATOM 435 CG HIS A 31 -11.191 6.422 -3.482 1.00 0.00 C ATOM 436 ND1 HIS A 31 -10.810 5.750 -2.348 1.00 0.00 N ATOM 437 CD2 HIS A 31 -10.802 7.704 -3.302 1.00 0.00 C ATOM 438 CE1 HIS A 31 -10.203 6.581 -1.528 1.00 0.00 C ATOM 439 NE2 HIS A 31 -10.176 7.782 -2.080 1.00 0.00 N ATOM 0 H HIS A 31 -14.083 6.640 -6.085 1.00 0.00 H new ATOM 0 HA HIS A 31 -11.233 7.382 -5.894 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -12.841 5.400 -4.331 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -11.277 4.849 -4.898 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -10.972 4.759 -2.168 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -10.955 8.520 -3.993 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -9.794 6.324 -0.562 1.00 0.00 H new ATOM 448 N SER A 32 -11.031 6.259 -8.078 1.00 0.00 N ATOM 449 CA SER A 32 -10.693 5.509 -9.278 1.00 0.00 C ATOM 450 C SER A 32 -9.266 4.986 -9.195 1.00 0.00 C ATOM 451 O SER A 32 -9.017 3.786 -9.258 1.00 0.00 O ATOM 452 CB SER A 32 -10.828 6.397 -10.511 1.00 0.00 C ATOM 453 OG SER A 32 -12.103 7.020 -10.554 1.00 0.00 O ATOM 0 H SER A 32 -10.621 7.192 -8.035 1.00 0.00 H new ATOM 0 HA SER A 32 -11.381 4.668 -9.357 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.048 7.158 -10.502 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.681 5.800 -11.411 1.00 0.00 H new ATOM 0 HG SER A 32 -12.164 7.585 -11.352 1.00 0.00 H new ATOM 459 N MET A 33 -8.338 5.914 -9.034 1.00 0.00 N ATOM 460 CA MET A 33 -6.919 5.616 -9.108 1.00 0.00 C ATOM 461 C MET A 33 -6.403 5.184 -7.740 1.00 0.00 C ATOM 462 O MET A 33 -5.934 4.057 -7.560 1.00 0.00 O ATOM 463 CB MET A 33 -6.180 6.876 -9.586 1.00 0.00 C ATOM 464 CG MET A 33 -4.940 6.635 -10.445 1.00 0.00 C ATOM 465 SD MET A 33 -3.564 5.886 -9.555 1.00 0.00 S ATOM 466 CE MET A 33 -3.935 4.152 -9.769 1.00 0.00 C ATOM 0 H MET A 33 -8.548 6.895 -8.848 1.00 0.00 H new ATOM 0 HA MET A 33 -6.745 4.800 -9.809 1.00 0.00 H new ATOM 0 HB2 MET A 33 -6.879 7.490 -10.154 1.00 0.00 H new ATOM 0 HB3 MET A 33 -5.885 7.455 -8.711 1.00 0.00 H new ATOM 0 HG2 MET A 33 -5.210 5.992 -11.282 1.00 0.00 H new ATOM 0 HG3 MET A 33 -4.612 7.585 -10.866 1.00 0.00 H new ATOM 0 HE1 MET A 33 -4.175 3.709 -8.802 1.00 0.00 H new ATOM 0 HE2 MET A 33 -4.787 4.042 -10.440 1.00 0.00 H new ATOM 0 HE3 MET A 33 -3.070 3.645 -10.195 1.00 0.00 H new ATOM 476 N ASP A 34 -6.568 6.065 -6.769 1.00 0.00 N ATOM 477 CA ASP A 34 -5.945 5.918 -5.457 1.00 0.00 C ATOM 478 C ASP A 34 -6.566 4.799 -4.623 1.00 0.00 C ATOM 479 O ASP A 34 -6.084 4.497 -3.534 1.00 0.00 O ATOM 480 CB ASP A 34 -6.020 7.251 -4.696 1.00 0.00 C ATOM 481 CG ASP A 34 -7.444 7.730 -4.457 1.00 0.00 C ATOM 482 OD1 ASP A 34 -8.247 7.740 -5.420 1.00 0.00 O ATOM 483 OD2 ASP A 34 -7.760 8.131 -3.319 1.00 0.00 O ATOM 0 H ASP A 34 -7.138 6.905 -6.864 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.904 5.640 -5.625 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -5.515 7.142 -3.736 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.478 8.012 -5.257 1.00 0.00 H new ATOM 488 N GLU A 35 -7.634 4.183 -5.112 1.00 0.00 N ATOM 489 CA GLU A 35 -8.212 3.061 -4.394 1.00 0.00 C ATOM 490 C GLU A 35 -7.849 1.720 -5.034 1.00 0.00 C ATOM 491 O GLU A 35 -7.176 0.896 -4.417 1.00 0.00 O ATOM 492 CB GLU A 35 -9.730 3.193 -4.258 1.00 0.00 C ATOM 493 CG GLU A 35 -10.333 2.062 -3.443 1.00 0.00 C ATOM 494 CD GLU A 35 -11.704 2.363 -2.878 1.00 0.00 C ATOM 495 OE1 GLU A 35 -11.838 3.353 -2.126 1.00 0.00 O ATOM 496 OE2 GLU A 35 -12.636 1.578 -3.137 1.00 0.00 O ATOM 0 H GLU A 35 -8.106 4.434 -5.981 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.779 3.083 -3.394 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.969 4.146 -3.787 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.182 3.205 -5.250 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.399 1.173 -4.070 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.659 1.823 -2.621 1.00 0.00 H new ATOM 503 N SER A 36 -8.286 1.516 -6.275 1.00 0.00 N ATOM 504 CA SER A 36 -8.195 0.211 -6.926 1.00 0.00 C ATOM 505 C SER A 36 -6.756 -0.303 -7.006 1.00 0.00 C ATOM 506 O SER A 36 -6.450 -1.393 -6.516 1.00 0.00 O ATOM 507 CB SER A 36 -8.806 0.297 -8.323 1.00 0.00 C ATOM 508 OG SER A 36 -10.113 0.842 -8.260 1.00 0.00 O ATOM 0 H SER A 36 -8.709 2.242 -6.853 1.00 0.00 H new ATOM 0 HA SER A 36 -8.751 -0.503 -6.319 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.178 0.916 -8.964 1.00 0.00 H new ATOM 0 HB3 SER A 36 -8.841 -0.695 -8.773 1.00 0.00 H new ATOM 0 HG SER A 36 -10.092 1.776 -8.555 1.00 0.00 H new ATOM 514 N THR A 37 -5.873 0.488 -7.598 1.00 0.00 N ATOM 515 CA THR A 37 -4.498 0.060 -7.795 1.00 0.00 C ATOM 516 C THR A 37 -3.747 0.015 -6.467 1.00 0.00 C ATOM 517 O THR A 37 -2.847 -0.805 -6.278 1.00 0.00 O ATOM 518 CB THR A 37 -3.765 0.987 -8.780 1.00 0.00 C ATOM 519 OG1 THR A 37 -4.509 1.069 -10.003 1.00 0.00 O ATOM 520 CG2 THR A 37 -2.360 0.481 -9.079 1.00 0.00 C ATOM 0 H THR A 37 -6.083 1.423 -7.948 1.00 0.00 H new ATOM 0 HA THR A 37 -4.524 -0.944 -8.218 1.00 0.00 H new ATOM 0 HB THR A 37 -3.683 1.972 -8.321 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.011 0.623 -10.719 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.870 1.159 -9.778 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.785 0.436 -8.154 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.418 -0.514 -9.519 1.00 0.00 H new ATOM 528 N ALA A 38 -4.141 0.881 -5.540 1.00 0.00 N ATOM 529 CA ALA A 38 -3.523 0.909 -4.224 1.00 0.00 C ATOM 530 C ALA A 38 -3.767 -0.408 -3.493 1.00 0.00 C ATOM 531 O ALA A 38 -2.862 -0.948 -2.854 1.00 0.00 O ATOM 532 CB ALA A 38 -4.042 2.080 -3.409 1.00 0.00 C ATOM 0 H ALA A 38 -4.882 1.569 -5.676 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.448 1.038 -4.353 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.566 2.080 -2.429 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.812 3.012 -3.925 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.121 1.989 -3.288 1.00 0.00 H new ATOM 538 N LYS A 39 -4.992 -0.924 -3.606 1.00 0.00 N ATOM 539 CA LYS A 39 -5.331 -2.233 -3.051 1.00 0.00 C ATOM 540 C LYS A 39 -4.438 -3.307 -3.661 1.00 0.00 C ATOM 541 O LYS A 39 -3.928 -4.181 -2.957 1.00 0.00 O ATOM 542 CB LYS A 39 -6.797 -2.579 -3.340 1.00 0.00 C ATOM 543 CG LYS A 39 -7.808 -1.671 -2.660 1.00 0.00 C ATOM 544 CD LYS A 39 -9.219 -1.955 -3.154 1.00 0.00 C ATOM 545 CE LYS A 39 -10.236 -1.037 -2.498 1.00 0.00 C ATOM 546 NZ LYS A 39 -11.564 -1.100 -3.168 1.00 0.00 N ATOM 0 H LYS A 39 -5.765 -0.454 -4.077 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.177 -2.194 -1.973 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.960 -2.540 -4.417 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.983 -3.606 -3.027 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.762 -1.814 -1.580 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.554 -0.629 -2.855 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -9.259 -1.829 -4.236 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.477 -2.993 -2.944 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.347 -1.311 -1.449 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.867 -0.012 -2.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.037 -0.177 -3.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.435 -1.337 -4.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -12.148 -1.830 -2.712 1.00 0.00 H new ATOM 560 N GLY A 40 -4.253 -3.223 -4.977 1.00 0.00 N ATOM 561 CA GLY A 40 -3.432 -4.185 -5.686 1.00 0.00 C ATOM 562 C GLY A 40 -1.998 -4.198 -5.198 1.00 0.00 C ATOM 563 O GLY A 40 -1.424 -5.264 -4.987 1.00 0.00 O ATOM 0 H GLY A 40 -4.662 -2.498 -5.567 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.861 -5.180 -5.568 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.447 -3.955 -6.751 1.00 0.00 H new ATOM 567 N ILE A 41 -1.423 -3.014 -5.003 1.00 0.00 N ATOM 568 CA ILE A 41 -0.044 -2.901 -4.530 1.00 0.00 C ATOM 569 C ILE A 41 0.117 -3.539 -3.150 1.00 0.00 C ATOM 570 O ILE A 41 1.036 -4.328 -2.924 1.00 0.00 O ATOM 571 CB ILE A 41 0.426 -1.425 -4.481 1.00 0.00 C ATOM 572 CG1 ILE A 41 0.470 -0.837 -5.899 1.00 0.00 C ATOM 573 CG2 ILE A 41 1.793 -1.317 -3.813 1.00 0.00 C ATOM 574 CD1 ILE A 41 0.960 0.595 -5.959 1.00 0.00 C ATOM 0 H ILE A 41 -1.888 -2.121 -5.164 1.00 0.00 H new ATOM 0 HA ILE A 41 0.581 -3.436 -5.244 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.287 -0.853 -3.888 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.118 -1.458 -6.518 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.529 -0.887 -6.333 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.105 -0.273 -3.789 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.732 -1.701 -2.795 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.521 -1.900 -4.377 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.962 0.936 -6.994 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.300 1.230 -5.369 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.972 0.650 -5.557 1.00 0.00 H new ATOM 586 N LEU A 42 -0.794 -3.214 -2.239 1.00 0.00 N ATOM 587 CA LEU A 42 -0.734 -3.740 -0.878 1.00 0.00 C ATOM 588 C LEU A 42 -0.916 -5.256 -0.871 1.00 0.00 C ATOM 589 O LEU A 42 -0.236 -5.976 -0.135 1.00 0.00 O ATOM 590 CB LEU A 42 -1.804 -3.083 0.000 1.00 0.00 C ATOM 591 CG LEU A 42 -1.714 -1.558 0.120 1.00 0.00 C ATOM 592 CD1 LEU A 42 -2.815 -1.033 1.029 1.00 0.00 C ATOM 593 CD2 LEU A 42 -0.345 -1.138 0.637 1.00 0.00 C ATOM 0 H LEU A 42 -1.581 -2.590 -2.417 1.00 0.00 H new ATOM 0 HA LEU A 42 0.250 -3.506 -0.472 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.785 -3.341 -0.399 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.743 -3.513 1.000 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.849 -1.126 -0.872 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.738 0.052 1.105 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.787 -1.300 0.615 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.710 -1.474 2.020 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.303 -0.052 0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.176 -1.579 1.620 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.426 -1.483 -0.052 1.00 0.00 H new ATOM 605 N LYS A 43 -1.829 -5.736 -1.705 1.00 0.00 N ATOM 606 CA LYS A 43 -2.113 -7.163 -1.790 1.00 0.00 C ATOM 607 C LYS A 43 -0.920 -7.911 -2.388 1.00 0.00 C ATOM 608 O LYS A 43 -0.629 -9.047 -2.004 1.00 0.00 O ATOM 609 CB LYS A 43 -3.367 -7.403 -2.634 1.00 0.00 C ATOM 610 CG LYS A 43 -3.871 -8.837 -2.591 1.00 0.00 C ATOM 611 CD LYS A 43 -5.093 -9.028 -3.472 1.00 0.00 C ATOM 612 CE LYS A 43 -5.651 -10.438 -3.353 1.00 0.00 C ATOM 613 NZ LYS A 43 -4.655 -11.470 -3.747 1.00 0.00 N ATOM 0 H LYS A 43 -2.387 -5.157 -2.333 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.290 -7.542 -0.784 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.159 -6.739 -2.288 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.154 -7.133 -3.669 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.079 -9.511 -2.916 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.117 -9.106 -1.564 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.861 -8.307 -3.192 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.829 -8.826 -4.510 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.969 -10.616 -2.326 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.537 -10.531 -3.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.123 -12.396 -3.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.244 -11.222 -4.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.900 -11.515 -3.033 1.00 0.00 H new ATOM 627 N TYR A 44 -0.224 -7.260 -3.315 1.00 0.00 N ATOM 628 CA TYR A 44 0.947 -7.847 -3.955 1.00 0.00 C ATOM 629 C TYR A 44 2.071 -8.045 -2.939 1.00 0.00 C ATOM 630 O TYR A 44 2.773 -9.059 -2.965 1.00 0.00 O ATOM 631 CB TYR A 44 1.420 -6.956 -5.110 1.00 0.00 C ATOM 632 CG TYR A 44 2.615 -7.502 -5.860 1.00 0.00 C ATOM 633 CD1 TYR A 44 2.504 -8.633 -6.661 1.00 0.00 C ATOM 634 CD2 TYR A 44 3.857 -6.886 -5.765 1.00 0.00 C ATOM 635 CE1 TYR A 44 3.596 -9.132 -7.347 1.00 0.00 C ATOM 636 CE2 TYR A 44 4.952 -7.378 -6.448 1.00 0.00 C ATOM 637 CZ TYR A 44 4.818 -8.502 -7.236 1.00 0.00 C ATOM 638 OH TYR A 44 5.910 -8.994 -7.916 1.00 0.00 O ATOM 0 H TYR A 44 -0.453 -6.321 -3.641 1.00 0.00 H new ATOM 0 HA TYR A 44 0.672 -8.823 -4.356 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.596 -6.819 -5.810 1.00 0.00 H new ATOM 0 HB3 TYR A 44 1.670 -5.971 -4.716 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.549 -9.130 -6.749 1.00 0.00 H new ATOM 0 HD2 TYR A 44 3.968 -6.008 -5.147 1.00 0.00 H new ATOM 0 HE1 TYR A 44 3.493 -10.011 -7.967 1.00 0.00 H new ATOM 0 HE2 TYR A 44 5.909 -6.885 -6.365 1.00 0.00 H new ATOM 0 HH TYR A 44 6.691 -8.433 -7.730 1.00 0.00 H new ATOM 648 N LEU A 45 2.229 -7.082 -2.037 1.00 0.00 N ATOM 649 CA LEU A 45 3.246 -7.167 -0.995 1.00 0.00 C ATOM 650 C LEU A 45 2.981 -8.361 -0.081 1.00 0.00 C ATOM 651 O LEU A 45 3.894 -9.123 0.248 1.00 0.00 O ATOM 652 CB LEU A 45 3.287 -5.874 -0.175 1.00 0.00 C ATOM 653 CG LEU A 45 3.641 -4.614 -0.968 1.00 0.00 C ATOM 654 CD1 LEU A 45 3.629 -3.393 -0.061 1.00 0.00 C ATOM 655 CD2 LEU A 45 5.000 -4.770 -1.632 1.00 0.00 C ATOM 0 H LEU A 45 1.665 -6.233 -2.007 1.00 0.00 H new ATOM 0 HA LEU A 45 4.214 -7.305 -1.476 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.314 -5.728 0.294 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.013 -5.995 0.629 1.00 0.00 H new ATOM 0 HG LEU A 45 2.890 -4.473 -1.745 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.883 -2.506 -0.641 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.636 -3.271 0.372 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.359 -3.526 0.737 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.237 -3.866 -2.192 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.761 -4.934 -0.869 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.977 -5.622 -2.311 1.00 0.00 H new ATOM 667 N HIS A 46 1.718 -8.535 0.302 1.00 0.00 N ATOM 668 CA HIS A 46 1.316 -9.659 1.138 1.00 0.00 C ATOM 669 C HIS A 46 1.570 -10.981 0.418 1.00 0.00 C ATOM 670 O HIS A 46 1.889 -11.988 1.050 1.00 0.00 O ATOM 671 CB HIS A 46 -0.164 -9.539 1.512 1.00 0.00 C ATOM 672 CG HIS A 46 -0.651 -10.638 2.406 1.00 0.00 C ATOM 673 ND1 HIS A 46 -0.305 -10.964 3.673 1.00 0.00 N flip ATOM 674 CD2 HIS A 46 -1.614 -11.544 2.027 1.00 0.00 C flip ATOM 675 CE1 HIS A 46 -1.061 -12.051 4.031 1.00 0.00 C flip ATOM 676 NE2 HIS A 46 -1.841 -12.381 3.022 1.00 0.00 N flip ATOM 0 H HIS A 46 0.955 -7.909 0.045 1.00 0.00 H new ATOM 0 HA HIS A 46 1.913 -9.640 2.050 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -0.328 -8.581 2.006 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.761 -9.534 0.600 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -2.107 -11.567 1.066 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -1.023 -12.555 4.986 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -2.508 -13.153 3.011 1.00 0.00 H new ATOM 685 N ASP A 47 1.438 -10.966 -0.905 1.00 0.00 N ATOM 686 CA ASP A 47 1.661 -12.160 -1.718 1.00 0.00 C ATOM 687 C ASP A 47 3.144 -12.513 -1.744 1.00 0.00 C ATOM 688 O ASP A 47 3.515 -13.689 -1.775 1.00 0.00 O ATOM 689 CB ASP A 47 1.141 -11.944 -3.142 1.00 0.00 C ATOM 690 CG ASP A 47 1.209 -13.201 -3.986 1.00 0.00 C ATOM 691 OD1 ASP A 47 0.450 -14.152 -3.700 1.00 0.00 O ATOM 692 OD2 ASP A 47 2.007 -13.244 -4.944 1.00 0.00 O ATOM 0 H ASP A 47 1.177 -10.138 -1.440 1.00 0.00 H new ATOM 0 HA ASP A 47 1.112 -12.989 -1.272 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.109 -11.596 -3.099 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.723 -11.157 -3.622 1.00 0.00 H new ATOM 697 N LEU A 48 3.983 -11.483 -1.723 1.00 0.00 N ATOM 698 CA LEU A 48 5.425 -11.666 -1.649 1.00 0.00 C ATOM 699 C LEU A 48 5.817 -12.246 -0.295 1.00 0.00 C ATOM 700 O LEU A 48 6.679 -13.125 -0.209 1.00 0.00 O ATOM 701 CB LEU A 48 6.147 -10.334 -1.870 1.00 0.00 C ATOM 702 CG LEU A 48 5.903 -9.673 -3.230 1.00 0.00 C ATOM 703 CD1 LEU A 48 6.598 -8.323 -3.292 1.00 0.00 C ATOM 704 CD2 LEU A 48 6.382 -10.576 -4.358 1.00 0.00 C ATOM 0 H LEU A 48 3.685 -10.508 -1.756 1.00 0.00 H new ATOM 0 HA LEU A 48 5.722 -12.362 -2.433 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.841 -9.640 -1.087 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.218 -10.496 -1.751 1.00 0.00 H new ATOM 0 HG LEU A 48 4.831 -9.516 -3.352 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.416 -7.864 -4.264 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.207 -7.676 -2.507 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.670 -8.459 -3.150 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.200 -10.089 -5.316 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.449 -10.765 -4.244 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.840 -11.521 -4.323 1.00 0.00 H new ATOM 716 N GLY A 49 5.188 -11.740 0.760 1.00 0.00 N ATOM 717 CA GLY A 49 5.437 -12.257 2.087 1.00 0.00 C ATOM 718 C GLY A 49 5.140 -11.245 3.175 1.00 0.00 C ATOM 719 O GLY A 49 4.420 -11.546 4.128 1.00 0.00 O ATOM 0 H GLY A 49 4.509 -10.980 0.717 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.826 -13.146 2.247 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.479 -12.569 2.161 1.00 0.00 H new ATOM 723 N VAL A 50 5.678 -10.043 3.031 1.00 0.00 N ATOM 724 CA VAL A 50 5.552 -9.019 4.051 1.00 0.00 C ATOM 725 C VAL A 50 4.276 -8.189 3.884 1.00 0.00 C ATOM 726 O VAL A 50 4.041 -7.584 2.839 1.00 0.00 O ATOM 727 CB VAL A 50 6.784 -8.091 4.051 1.00 0.00 C ATOM 728 CG1 VAL A 50 7.997 -8.810 4.621 1.00 0.00 C ATOM 729 CG2 VAL A 50 7.085 -7.579 2.645 1.00 0.00 C ATOM 0 H VAL A 50 6.210 -9.754 2.210 1.00 0.00 H new ATOM 0 HA VAL A 50 5.490 -9.535 5.009 1.00 0.00 H new ATOM 0 HB VAL A 50 6.557 -7.234 4.685 1.00 0.00 H new ATOM 0 HG11 VAL A 50 8.855 -8.138 4.612 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.789 -9.119 5.645 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.217 -9.688 4.015 1.00 0.00 H new ATOM 0 HG21 VAL A 50 7.958 -6.927 2.674 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.284 -8.423 1.985 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.228 -7.020 2.270 1.00 0.00 H new ATOM 739 N PRO A 51 3.418 -8.182 4.913 1.00 0.00 N ATOM 740 CA PRO A 51 2.202 -7.373 4.927 1.00 0.00 C ATOM 741 C PRO A 51 2.444 -5.954 5.450 1.00 0.00 C ATOM 742 O PRO A 51 3.480 -5.669 6.055 1.00 0.00 O ATOM 743 CB PRO A 51 1.304 -8.151 5.884 1.00 0.00 C ATOM 744 CG PRO A 51 2.245 -8.755 6.871 1.00 0.00 C ATOM 745 CD PRO A 51 3.550 -8.983 6.143 1.00 0.00 C ATOM 0 HA PRO A 51 1.784 -7.230 3.930 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.583 -7.496 6.373 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.734 -8.917 5.359 1.00 0.00 H new ATOM 0 HG2 PRO A 51 2.389 -8.092 7.725 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.849 -9.694 7.259 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.402 -8.659 6.741 1.00 0.00 H new ATOM 0 HD3 PRO A 51 3.702 -10.039 5.917 1.00 0.00 H new ATOM 753 N VAL A 52 1.472 -5.077 5.223 1.00 0.00 N ATOM 754 CA VAL A 52 1.571 -3.685 5.643 1.00 0.00 C ATOM 755 C VAL A 52 0.654 -3.421 6.841 1.00 0.00 C ATOM 756 O VAL A 52 -0.398 -4.046 6.977 1.00 0.00 O ATOM 757 CB VAL A 52 1.216 -2.729 4.474 1.00 0.00 C ATOM 758 CG1 VAL A 52 -0.206 -2.971 3.988 1.00 0.00 C ATOM 759 CG2 VAL A 52 1.416 -1.272 4.873 1.00 0.00 C ATOM 0 H VAL A 52 0.600 -5.309 4.747 1.00 0.00 H new ATOM 0 HA VAL A 52 2.602 -3.493 5.942 1.00 0.00 H new ATOM 0 HB VAL A 52 1.896 -2.943 3.650 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.431 -2.289 3.168 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.302 -4.000 3.641 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.905 -2.798 4.807 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.159 -0.626 4.033 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.774 -1.036 5.722 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.458 -1.110 5.150 1.00 0.00 H new ATOM 769 N SER A 53 1.066 -2.511 7.717 1.00 0.00 N ATOM 770 CA SER A 53 0.300 -2.198 8.916 1.00 0.00 C ATOM 771 C SER A 53 -0.472 -0.888 8.741 1.00 0.00 C ATOM 772 O SER A 53 0.071 0.094 8.228 1.00 0.00 O ATOM 773 CB SER A 53 1.242 -2.089 10.114 1.00 0.00 C ATOM 774 OG SER A 53 2.098 -3.217 10.191 1.00 0.00 O ATOM 0 H SER A 53 1.929 -1.976 7.618 1.00 0.00 H new ATOM 0 HA SER A 53 -0.418 -3.000 9.089 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.838 -1.180 10.031 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.660 -2.006 11.032 1.00 0.00 H new ATOM 0 HG SER A 53 2.693 -3.124 10.964 1.00 0.00 H new ATOM 780 N PRO A 54 -1.746 -0.854 9.181 1.00 0.00 N ATOM 781 CA PRO A 54 -2.600 0.341 9.088 1.00 0.00 C ATOM 782 C PRO A 54 -2.053 1.517 9.898 1.00 0.00 C ATOM 783 O PRO A 54 -2.343 2.678 9.598 1.00 0.00 O ATOM 784 CB PRO A 54 -3.946 -0.123 9.667 1.00 0.00 C ATOM 785 CG PRO A 54 -3.902 -1.611 9.622 1.00 0.00 C ATOM 786 CD PRO A 54 -2.459 -1.986 9.796 1.00 0.00 C ATOM 0 HA PRO A 54 -2.666 0.706 8.063 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.080 0.236 10.688 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.780 0.264 9.081 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.516 -2.044 10.412 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.291 -1.985 8.675 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.197 -2.105 10.847 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.224 -2.928 9.300 1.00 0.00 H new ATOM 794 N GLU A 55 -1.261 1.204 10.920 1.00 0.00 N ATOM 795 CA GLU A 55 -0.634 2.218 11.766 1.00 0.00 C ATOM 796 C GLU A 55 0.138 3.228 10.921 1.00 0.00 C ATOM 797 O GLU A 55 0.016 4.442 11.108 1.00 0.00 O ATOM 798 CB GLU A 55 0.320 1.543 12.754 1.00 0.00 C ATOM 799 CG GLU A 55 0.924 2.488 13.781 1.00 0.00 C ATOM 800 CD GLU A 55 -0.099 3.006 14.772 1.00 0.00 C ATOM 801 OE1 GLU A 55 -0.765 4.020 14.481 1.00 0.00 O ATOM 802 OE2 GLU A 55 -0.235 2.403 15.858 1.00 0.00 O ATOM 0 H GLU A 55 -1.036 0.245 11.185 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.417 2.747 12.310 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.216 0.751 13.277 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.126 1.067 12.196 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.718 1.972 14.321 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.385 3.331 13.266 1.00 0.00 H new ATOM 809 N VAL A 56 0.911 2.709 9.975 1.00 0.00 N ATOM 810 CA VAL A 56 1.743 3.537 9.114 1.00 0.00 C ATOM 811 C VAL A 56 0.879 4.454 8.252 1.00 0.00 C ATOM 812 O VAL A 56 1.231 5.606 7.999 1.00 0.00 O ATOM 813 CB VAL A 56 2.633 2.662 8.203 1.00 0.00 C ATOM 814 CG1 VAL A 56 3.614 3.518 7.420 1.00 0.00 C ATOM 815 CG2 VAL A 56 3.372 1.614 9.019 1.00 0.00 C ATOM 0 H VAL A 56 0.978 1.709 9.785 1.00 0.00 H new ATOM 0 HA VAL A 56 2.382 4.145 9.754 1.00 0.00 H new ATOM 0 HB VAL A 56 1.986 2.149 7.491 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.229 2.879 6.786 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.064 4.225 6.798 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.253 4.065 8.113 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.993 1.009 8.358 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.003 2.107 9.758 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.651 0.973 9.527 1.00 0.00 H new ATOM 825 N VAL A 57 -0.262 3.932 7.826 1.00 0.00 N ATOM 826 CA VAL A 57 -1.189 4.684 6.995 1.00 0.00 C ATOM 827 C VAL A 57 -1.738 5.888 7.752 1.00 0.00 C ATOM 828 O VAL A 57 -1.716 7.011 7.247 1.00 0.00 O ATOM 829 CB VAL A 57 -2.364 3.799 6.530 1.00 0.00 C ATOM 830 CG1 VAL A 57 -3.337 4.590 5.669 1.00 0.00 C ATOM 831 CG2 VAL A 57 -1.854 2.580 5.781 1.00 0.00 C ATOM 0 H VAL A 57 -0.569 2.984 8.044 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.636 5.027 6.120 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.899 3.458 7.416 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.155 3.942 5.355 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.736 5.425 6.245 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.818 4.971 4.789 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.699 1.969 5.462 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.287 2.901 4.907 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.209 1.994 6.436 1.00 0.00 H new ATOM 841 N VAL A 58 -2.217 5.645 8.967 1.00 0.00 N ATOM 842 CA VAL A 58 -2.780 6.706 9.795 1.00 0.00 C ATOM 843 C VAL A 58 -1.736 7.778 10.083 1.00 0.00 C ATOM 844 O VAL A 58 -2.003 8.972 9.950 1.00 0.00 O ATOM 845 CB VAL A 58 -3.328 6.152 11.130 1.00 0.00 C ATOM 846 CG1 VAL A 58 -3.926 7.267 11.978 1.00 0.00 C ATOM 847 CG2 VAL A 58 -4.358 5.065 10.873 1.00 0.00 C ATOM 0 H VAL A 58 -2.227 4.722 9.401 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.606 7.146 9.236 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.496 5.716 11.683 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.304 6.851 12.912 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.159 8.010 12.196 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.744 7.740 11.434 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.733 4.687 11.824 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.185 5.477 10.295 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.896 4.250 10.315 1.00 0.00 H new ATOM 857 N ALA A 59 -0.539 7.343 10.456 1.00 0.00 N ATOM 858 CA ALA A 59 0.550 8.262 10.754 1.00 0.00 C ATOM 859 C ALA A 59 0.903 9.112 9.536 1.00 0.00 C ATOM 860 O ALA A 59 1.016 10.336 9.628 1.00 0.00 O ATOM 861 CB ALA A 59 1.772 7.493 11.234 1.00 0.00 C ATOM 0 H ALA A 59 -0.298 6.357 10.559 1.00 0.00 H new ATOM 0 HA ALA A 59 0.219 8.932 11.548 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.579 8.192 11.453 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.520 6.935 12.136 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.094 6.800 10.457 1.00 0.00 H new ATOM 867 N ARG A 60 1.058 8.458 8.390 1.00 0.00 N ATOM 868 CA ARG A 60 1.430 9.152 7.168 1.00 0.00 C ATOM 869 C ARG A 60 0.321 10.093 6.716 1.00 0.00 C ATOM 870 O ARG A 60 0.586 11.230 6.327 1.00 0.00 O ATOM 871 CB ARG A 60 1.755 8.155 6.055 1.00 0.00 C ATOM 872 CG ARG A 60 2.277 8.820 4.795 1.00 0.00 C ATOM 873 CD ARG A 60 3.522 9.636 5.089 1.00 0.00 C ATOM 874 NE ARG A 60 4.025 10.332 3.913 1.00 0.00 N ATOM 875 CZ ARG A 60 5.239 10.858 3.824 1.00 0.00 C ATOM 876 NH1 ARG A 60 6.089 10.767 4.842 1.00 0.00 N ATOM 877 NH2 ARG A 60 5.601 11.479 2.713 1.00 0.00 N ATOM 0 H ARG A 60 0.932 7.451 8.284 1.00 0.00 H new ATOM 0 HA ARG A 60 2.321 9.743 7.381 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.497 7.444 6.418 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.858 7.584 5.813 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.503 8.061 4.046 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.506 9.465 4.373 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.299 10.363 5.870 1.00 0.00 H new ATOM 0 HD3 ARG A 60 4.300 8.979 5.478 1.00 0.00 H new ATOM 0 HE ARG A 60 3.405 10.420 3.108 1.00 0.00 H new ATOM 0 HH11 ARG A 60 5.809 10.290 5.699 1.00 0.00 H new ATOM 0 HH12 ARG A 60 7.021 11.174 4.766 1.00 0.00 H new ATOM 0 HH21 ARG A 60 4.948 11.551 1.933 1.00 0.00 H new ATOM 0 HH22 ARG A 60 6.533 11.886 2.637 1.00 0.00 H new ATOM 891 N GLY A 61 -0.917 9.616 6.780 1.00 0.00 N ATOM 892 CA GLY A 61 -2.049 10.409 6.350 1.00 0.00 C ATOM 893 C GLY A 61 -2.154 11.716 7.098 1.00 0.00 C ATOM 894 O GLY A 61 -2.316 12.776 6.489 1.00 0.00 O ATOM 0 H GLY A 61 -1.156 8.686 7.125 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.963 10.611 5.282 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.965 9.837 6.494 1.00 0.00 H new ATOM 898 N GLU A 62 -2.030 11.642 8.417 1.00 0.00 N ATOM 899 CA GLU A 62 -2.120 12.822 9.263 1.00 0.00 C ATOM 900 C GLU A 62 -0.975 13.786 8.995 1.00 0.00 C ATOM 901 O GLU A 62 -1.145 15.000 9.082 1.00 0.00 O ATOM 902 CB GLU A 62 -2.131 12.418 10.735 1.00 0.00 C ATOM 903 CG GLU A 62 -3.378 11.647 11.132 1.00 0.00 C ATOM 904 CD GLU A 62 -4.641 12.459 10.938 1.00 0.00 C ATOM 905 OE1 GLU A 62 -5.029 13.188 11.877 1.00 0.00 O ATOM 906 OE2 GLU A 62 -5.250 12.377 9.849 1.00 0.00 O ATOM 0 H GLU A 62 -1.866 10.773 8.925 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.053 13.332 9.024 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.252 11.808 10.945 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.053 13.313 11.352 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.441 10.734 10.541 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.299 11.346 12.177 1.00 0.00 H new ATOM 913 N GLN A 63 0.191 13.245 8.663 1.00 0.00 N ATOM 914 CA GLN A 63 1.353 14.077 8.393 1.00 0.00 C ATOM 915 C GLN A 63 1.254 14.732 7.024 1.00 0.00 C ATOM 916 O GLN A 63 1.277 15.958 6.907 1.00 0.00 O ATOM 917 CB GLN A 63 2.642 13.259 8.463 1.00 0.00 C ATOM 918 CG GLN A 63 3.896 14.116 8.405 1.00 0.00 C ATOM 919 CD GLN A 63 5.126 13.333 7.993 1.00 0.00 C ATOM 920 OE1 GLN A 63 5.811 12.737 8.827 1.00 0.00 O ATOM 921 NE2 GLN A 63 5.437 13.360 6.709 1.00 0.00 N ATOM 0 H GLN A 63 0.355 12.242 8.575 1.00 0.00 H new ATOM 0 HA GLN A 63 1.377 14.852 9.159 1.00 0.00 H new ATOM 0 HB2 GLN A 63 2.648 12.679 9.386 1.00 0.00 H new ATOM 0 HB3 GLN A 63 2.658 12.546 7.639 1.00 0.00 H new ATOM 0 HG2 GLN A 63 3.739 14.933 7.701 1.00 0.00 H new ATOM 0 HG3 GLN A 63 4.068 14.566 9.383 1.00 0.00 H new ATOM 0 HE21 GLN A 63 4.843 13.865 6.051 1.00 0.00 H new ATOM 0 HE22 GLN A 63 6.271 12.876 6.376 1.00 0.00 H new ATOM 930 N GLU A 64 1.114 13.905 5.999 1.00 0.00 N ATOM 931 CA GLU A 64 1.213 14.358 4.620 1.00 0.00 C ATOM 932 C GLU A 64 0.011 15.214 4.234 1.00 0.00 C ATOM 933 O GLU A 64 0.125 16.137 3.428 1.00 0.00 O ATOM 934 CB GLU A 64 1.319 13.152 3.690 1.00 0.00 C ATOM 935 CG GLU A 64 2.294 13.357 2.546 1.00 0.00 C ATOM 936 CD GLU A 64 2.237 12.244 1.525 1.00 0.00 C ATOM 937 OE1 GLU A 64 1.405 12.331 0.603 1.00 0.00 O ATOM 938 OE2 GLU A 64 3.025 11.285 1.644 1.00 0.00 O ATOM 0 H GLU A 64 0.930 12.907 6.098 1.00 0.00 H new ATOM 0 HA GLU A 64 2.108 14.973 4.523 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.628 12.282 4.269 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.333 12.930 3.282 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.078 14.306 2.055 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.306 13.427 2.945 1.00 0.00 H new ATOM 945 N GLY A 65 -1.133 14.914 4.826 1.00 0.00 N ATOM 946 CA GLY A 65 -2.332 15.666 4.524 1.00 0.00 C ATOM 947 C GLY A 65 -3.295 14.875 3.673 1.00 0.00 C ATOM 948 O GLY A 65 -3.833 15.388 2.688 1.00 0.00 O ATOM 0 H GLY A 65 -1.253 14.166 5.508 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.823 15.955 5.453 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.062 16.586 4.006 1.00 0.00 H new ATOM 952 N TRP A 66 -3.496 13.620 4.038 1.00 0.00 N ATOM 953 CA TRP A 66 -4.451 12.774 3.348 1.00 0.00 C ATOM 954 C TRP A 66 -5.830 12.996 3.948 1.00 0.00 C ATOM 955 O TRP A 66 -5.978 13.001 5.174 1.00 0.00 O ATOM 956 CB TRP A 66 -4.072 11.292 3.471 1.00 0.00 C ATOM 957 CG TRP A 66 -2.721 10.937 2.914 1.00 0.00 C ATOM 958 CD1 TRP A 66 -1.840 11.767 2.283 1.00 0.00 C ATOM 959 CD2 TRP A 66 -2.104 9.642 2.935 1.00 0.00 C ATOM 960 NE1 TRP A 66 -0.712 11.073 1.923 1.00 0.00 N ATOM 961 CE2 TRP A 66 -0.850 9.766 2.311 1.00 0.00 C ATOM 962 CE3 TRP A 66 -2.490 8.390 3.427 1.00 0.00 C ATOM 963 CZ2 TRP A 66 0.022 8.687 2.164 1.00 0.00 C ATOM 964 CZ3 TRP A 66 -1.625 7.321 3.280 1.00 0.00 C ATOM 965 CH2 TRP A 66 -0.383 7.475 2.656 1.00 0.00 C ATOM 0 H TRP A 66 -3.009 13.165 4.810 1.00 0.00 H new ATOM 0 HA TRP A 66 -4.449 13.037 2.290 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -4.101 11.011 4.524 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -4.828 10.695 2.961 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -2.006 12.817 2.094 1.00 0.00 H new ATOM 0 HE1 TRP A 66 0.098 11.466 1.444 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -3.446 8.261 3.913 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 0.981 8.803 1.680 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -1.914 6.350 3.654 1.00 0.00 H new ATOM 0 HH2 TRP A 66 0.270 6.620 2.560 1.00 0.00 H new ATOM 976 N ASN A 67 -6.827 13.210 3.102 1.00 0.00 N ATOM 977 CA ASN A 67 -8.187 13.422 3.581 1.00 0.00 C ATOM 978 C ASN A 67 -8.711 12.149 4.249 1.00 0.00 C ATOM 979 O ASN A 67 -8.700 11.083 3.636 1.00 0.00 O ATOM 980 CB ASN A 67 -9.111 13.847 2.435 1.00 0.00 C ATOM 981 CG ASN A 67 -10.446 14.368 2.934 1.00 0.00 C ATOM 982 OD1 ASN A 67 -10.545 14.908 4.032 1.00 0.00 O ATOM 983 ND2 ASN A 67 -11.482 14.228 2.129 1.00 0.00 N ATOM 0 H ASN A 67 -6.723 13.242 2.088 1.00 0.00 H new ATOM 0 HA ASN A 67 -8.173 14.226 4.316 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -8.620 14.620 1.843 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -9.280 12.998 1.773 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -12.399 14.573 2.413 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -11.366 13.774 1.223 1.00 0.00 H new ATOM 990 N PRO A 68 -9.137 12.260 5.528 1.00 0.00 N ATOM 991 CA PRO A 68 -9.616 11.158 6.371 1.00 0.00 C ATOM 992 C PRO A 68 -10.298 9.997 5.634 1.00 0.00 C ATOM 993 O PRO A 68 -10.028 8.836 5.939 1.00 0.00 O ATOM 994 CB PRO A 68 -10.615 11.848 7.305 1.00 0.00 C ATOM 995 CG PRO A 68 -10.314 13.316 7.240 1.00 0.00 C ATOM 996 CD PRO A 68 -9.152 13.504 6.299 1.00 0.00 C ATOM 0 HA PRO A 68 -8.772 10.670 6.858 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -11.640 11.648 6.993 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -10.514 11.476 8.325 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -11.184 13.870 6.888 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -10.070 13.701 8.230 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -9.291 14.373 5.657 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -8.217 13.653 6.839 1.00 0.00 H new ATOM 1004 N GLU A 69 -11.184 10.297 4.684 1.00 0.00 N ATOM 1005 CA GLU A 69 -11.917 9.253 3.966 1.00 0.00 C ATOM 1006 C GLU A 69 -10.958 8.302 3.247 1.00 0.00 C ATOM 1007 O GLU A 69 -11.202 7.096 3.166 1.00 0.00 O ATOM 1008 CB GLU A 69 -12.900 9.858 2.956 1.00 0.00 C ATOM 1009 CG GLU A 69 -14.076 10.593 3.589 1.00 0.00 C ATOM 1010 CD GLU A 69 -13.749 12.011 4.011 1.00 0.00 C ATOM 1011 OE1 GLU A 69 -13.181 12.197 5.103 1.00 0.00 O ATOM 1012 OE2 GLU A 69 -14.084 12.946 3.257 1.00 0.00 O ATOM 0 H GLU A 69 -11.411 11.248 4.395 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.482 8.688 4.707 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.359 10.550 2.310 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -13.285 9.061 2.319 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -14.904 10.616 2.880 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.417 10.033 4.460 1.00 0.00 H new ATOM 1019 N PHE A 70 -9.860 8.849 2.752 1.00 0.00 N ATOM 1020 CA PHE A 70 -8.863 8.069 2.040 1.00 0.00 C ATOM 1021 C PHE A 70 -8.044 7.232 3.016 1.00 0.00 C ATOM 1022 O PHE A 70 -7.851 6.034 2.811 1.00 0.00 O ATOM 1023 CB PHE A 70 -7.952 9.001 1.234 1.00 0.00 C ATOM 1024 CG PHE A 70 -6.793 8.307 0.577 1.00 0.00 C ATOM 1025 CD1 PHE A 70 -6.999 7.380 -0.429 1.00 0.00 C ATOM 1026 CD2 PHE A 70 -5.493 8.582 0.972 1.00 0.00 C ATOM 1027 CE1 PHE A 70 -5.934 6.741 -1.031 1.00 0.00 C ATOM 1028 CE2 PHE A 70 -4.424 7.946 0.373 1.00 0.00 C ATOM 1029 CZ PHE A 70 -4.645 7.024 -0.629 1.00 0.00 C ATOM 0 H PHE A 70 -9.636 9.841 2.832 1.00 0.00 H new ATOM 0 HA PHE A 70 -9.369 7.391 1.353 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -8.546 9.499 0.467 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -7.569 9.778 1.895 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -8.006 7.153 -0.747 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.314 9.302 1.757 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -6.110 6.020 -1.816 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.416 8.170 0.689 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.810 6.524 -1.098 1.00 0.00 H new ATOM 1039 N THR A 71 -7.586 7.869 4.082 1.00 0.00 N ATOM 1040 CA THR A 71 -6.782 7.204 5.096 1.00 0.00 C ATOM 1041 C THR A 71 -7.557 6.052 5.737 1.00 0.00 C ATOM 1042 O THR A 71 -7.001 4.980 5.989 1.00 0.00 O ATOM 1043 CB THR A 71 -6.352 8.207 6.179 1.00 0.00 C ATOM 1044 OG1 THR A 71 -5.855 9.398 5.555 1.00 0.00 O ATOM 1045 CG2 THR A 71 -5.278 7.613 7.077 1.00 0.00 C ATOM 0 H THR A 71 -7.760 8.857 4.269 1.00 0.00 H new ATOM 0 HA THR A 71 -5.894 6.799 4.610 1.00 0.00 H new ATOM 0 HB THR A 71 -7.219 8.445 6.795 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.582 10.039 6.244 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.992 8.343 7.834 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.665 6.718 7.564 1.00 0.00 H new ATOM 0 HG23 THR A 71 -4.406 7.352 6.477 1.00 0.00 H new ATOM 1053 N LYS A 72 -8.848 6.275 5.975 1.00 0.00 N ATOM 1054 CA LYS A 72 -9.714 5.251 6.549 1.00 0.00 C ATOM 1055 C LYS A 72 -9.796 4.053 5.609 1.00 0.00 C ATOM 1056 O LYS A 72 -9.712 2.902 6.042 1.00 0.00 O ATOM 1057 CB LYS A 72 -11.112 5.826 6.798 1.00 0.00 C ATOM 1058 CG LYS A 72 -11.994 4.942 7.667 1.00 0.00 C ATOM 1059 CD LYS A 72 -11.433 4.815 9.076 1.00 0.00 C ATOM 1060 CE LYS A 72 -12.308 3.938 9.953 1.00 0.00 C ATOM 1061 NZ LYS A 72 -11.755 3.816 11.327 1.00 0.00 N ATOM 0 H LYS A 72 -9.317 7.159 5.778 1.00 0.00 H new ATOM 0 HA LYS A 72 -9.295 4.923 7.501 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -11.014 6.803 7.272 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -11.605 5.985 5.839 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -13.000 5.359 7.710 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -12.078 3.953 7.216 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.428 4.396 9.031 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.346 5.805 9.523 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.313 4.357 10.000 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.396 2.948 9.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.377 3.210 11.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.806 3.393 11.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.694 4.759 11.762 1.00 0.00 H new ATOM 1075 N LYS A 73 -9.955 4.342 4.321 1.00 0.00 N ATOM 1076 CA LYS A 73 -9.970 3.316 3.291 1.00 0.00 C ATOM 1077 C LYS A 73 -8.693 2.480 3.327 1.00 0.00 C ATOM 1078 O LYS A 73 -8.749 1.265 3.515 1.00 0.00 O ATOM 1079 CB LYS A 73 -10.122 3.966 1.913 1.00 0.00 C ATOM 1080 CG LYS A 73 -11.257 3.391 1.089 1.00 0.00 C ATOM 1081 CD LYS A 73 -12.593 3.624 1.763 1.00 0.00 C ATOM 1082 CE LYS A 73 -13.726 2.989 0.984 1.00 0.00 C ATOM 1083 NZ LYS A 73 -13.910 3.604 -0.362 1.00 0.00 N ATOM 0 H LYS A 73 -10.076 5.290 3.966 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.817 2.656 3.481 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.284 5.036 2.042 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.189 3.849 1.361 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.261 3.849 0.100 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.101 2.322 0.945 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.569 3.213 2.772 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.771 4.695 1.859 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.530 1.923 0.869 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -14.651 3.084 1.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.811 3.283 -0.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -13.921 4.640 -0.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.127 3.319 -0.984 1.00 0.00 H new ATOM 1097 N VAL A 74 -7.549 3.141 3.165 1.00 0.00 N ATOM 1098 CA VAL A 74 -6.264 2.450 3.079 1.00 0.00 C ATOM 1099 C VAL A 74 -5.979 1.635 4.340 1.00 0.00 C ATOM 1100 O VAL A 74 -5.500 0.501 4.261 1.00 0.00 O ATOM 1101 CB VAL A 74 -5.099 3.433 2.833 1.00 0.00 C ATOM 1102 CG1 VAL A 74 -3.794 2.684 2.599 1.00 0.00 C ATOM 1103 CG2 VAL A 74 -5.403 4.345 1.659 1.00 0.00 C ATOM 0 H VAL A 74 -7.485 4.156 3.090 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.337 1.773 2.228 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.985 4.047 3.727 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.989 3.399 2.428 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.561 2.077 3.474 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.896 2.038 1.727 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.569 5.029 1.504 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.552 3.745 0.761 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.307 4.917 1.867 1.00 0.00 H new ATOM 1113 N ALA A 75 -6.287 2.211 5.498 1.00 0.00 N ATOM 1114 CA ALA A 75 -6.098 1.522 6.769 1.00 0.00 C ATOM 1115 C ALA A 75 -6.944 0.257 6.819 1.00 0.00 C ATOM 1116 O ALA A 75 -6.502 -0.780 7.314 1.00 0.00 O ATOM 1117 CB ALA A 75 -6.442 2.441 7.933 1.00 0.00 C ATOM 0 H ALA A 75 -6.669 3.153 5.582 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.049 1.239 6.855 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.295 1.909 8.873 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.795 3.318 7.908 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.483 2.755 7.853 1.00 0.00 H new ATOM 1123 N GLY A 76 -8.156 0.349 6.284 1.00 0.00 N ATOM 1124 CA GLY A 76 -9.048 -0.789 6.247 1.00 0.00 C ATOM 1125 C GLY A 76 -8.522 -1.908 5.371 1.00 0.00 C ATOM 1126 O GLY A 76 -8.672 -3.089 5.706 1.00 0.00 O ATOM 0 H GLY A 76 -8.537 1.201 5.872 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -9.197 -1.164 7.260 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.023 -0.471 5.879 1.00 0.00 H new ATOM 1130 N TRP A 77 -7.900 -1.547 4.251 1.00 0.00 N ATOM 1131 CA TRP A 77 -7.322 -2.538 3.352 1.00 0.00 C ATOM 1132 C TRP A 77 -6.162 -3.230 4.041 1.00 0.00 C ATOM 1133 O TRP A 77 -6.136 -4.452 4.145 1.00 0.00 O ATOM 1134 CB TRP A 77 -6.817 -1.909 2.049 1.00 0.00 C ATOM 1135 CG TRP A 77 -7.783 -0.972 1.403 1.00 0.00 C ATOM 1136 CD1 TRP A 77 -9.146 -1.018 1.459 1.00 0.00 C ATOM 1137 CD2 TRP A 77 -7.450 0.150 0.586 1.00 0.00 C ATOM 1138 NE1 TRP A 77 -9.678 0.027 0.744 1.00 0.00 N ATOM 1139 CE2 TRP A 77 -8.653 0.755 0.193 1.00 0.00 C ATOM 1140 CE3 TRP A 77 -6.242 0.704 0.153 1.00 0.00 C ATOM 1141 CZ2 TRP A 77 -8.685 1.890 -0.609 1.00 0.00 C ATOM 1142 CZ3 TRP A 77 -6.276 1.828 -0.645 1.00 0.00 C ATOM 1143 CH2 TRP A 77 -7.490 2.413 -1.018 1.00 0.00 C ATOM 0 H TRP A 77 -7.785 -0.580 3.947 1.00 0.00 H new ATOM 0 HA TRP A 77 -8.108 -3.252 3.103 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -5.891 -1.373 2.254 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -6.575 -2.705 1.345 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -9.720 -1.765 1.987 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -10.672 0.229 0.639 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -5.300 0.260 0.438 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -9.622 2.343 -0.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -5.349 2.264 -0.988 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -7.483 3.295 -1.641 1.00 0.00 H new ATOM 1154 N ALA A 78 -5.222 -2.425 4.532 1.00 0.00 N ATOM 1155 CA ALA A 78 -4.031 -2.932 5.206 1.00 0.00 C ATOM 1156 C ALA A 78 -4.406 -3.887 6.331 1.00 0.00 C ATOM 1157 O ALA A 78 -3.767 -4.922 6.517 1.00 0.00 O ATOM 1158 CB ALA A 78 -3.207 -1.775 5.748 1.00 0.00 C ATOM 0 H ALA A 78 -5.265 -1.408 4.474 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.434 -3.484 4.480 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.320 -2.163 6.249 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.904 -1.127 4.925 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.805 -1.204 6.459 1.00 0.00 H new ATOM 1164 N GLU A 79 -5.460 -3.532 7.058 1.00 0.00 N ATOM 1165 CA GLU A 79 -5.988 -4.364 8.132 1.00 0.00 C ATOM 1166 C GLU A 79 -6.316 -5.769 7.620 1.00 0.00 C ATOM 1167 O GLU A 79 -5.821 -6.772 8.147 1.00 0.00 O ATOM 1168 CB GLU A 79 -7.244 -3.704 8.711 1.00 0.00 C ATOM 1169 CG GLU A 79 -7.874 -4.458 9.867 1.00 0.00 C ATOM 1170 CD GLU A 79 -9.184 -3.837 10.301 1.00 0.00 C ATOM 1171 OE1 GLU A 79 -10.209 -4.080 9.632 1.00 0.00 O ATOM 1172 OE2 GLU A 79 -9.199 -3.094 11.306 1.00 0.00 O ATOM 0 H GLU A 79 -5.971 -2.660 6.919 1.00 0.00 H new ATOM 0 HA GLU A 79 -5.233 -4.458 8.912 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.989 -2.698 9.045 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -7.983 -3.598 7.917 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -8.043 -5.494 9.575 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -7.183 -4.473 10.710 1.00 0.00 H new ATOM 1179 N LYS A 80 -7.131 -5.836 6.573 1.00 0.00 N ATOM 1180 CA LYS A 80 -7.567 -7.115 6.037 1.00 0.00 C ATOM 1181 C LYS A 80 -6.440 -7.818 5.287 1.00 0.00 C ATOM 1182 O LYS A 80 -6.285 -9.031 5.394 1.00 0.00 O ATOM 1183 CB LYS A 80 -8.780 -6.943 5.120 1.00 0.00 C ATOM 1184 CG LYS A 80 -10.008 -6.389 5.825 1.00 0.00 C ATOM 1185 CD LYS A 80 -11.288 -6.894 5.182 1.00 0.00 C ATOM 1186 CE LYS A 80 -12.515 -6.445 5.957 1.00 0.00 C ATOM 1187 NZ LYS A 80 -13.754 -7.094 5.457 1.00 0.00 N ATOM 0 H LYS A 80 -7.500 -5.022 6.082 1.00 0.00 H new ATOM 0 HA LYS A 80 -7.856 -7.738 6.884 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.512 -6.277 4.300 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.030 -7.908 4.679 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -9.988 -6.678 6.876 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -9.988 -5.300 5.793 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -11.350 -6.529 4.157 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -11.266 -7.983 5.132 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -12.383 -6.680 7.013 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -12.616 -5.362 5.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -14.568 -6.761 6.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -13.894 -6.850 4.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -13.668 -8.126 5.553 1.00 0.00 H new ATOM 1201 N VAL A 81 -5.649 -7.054 4.544 1.00 0.00 N ATOM 1202 CA VAL A 81 -4.540 -7.609 3.776 1.00 0.00 C ATOM 1203 C VAL A 81 -3.520 -8.277 4.698 1.00 0.00 C ATOM 1204 O VAL A 81 -3.025 -9.365 4.400 1.00 0.00 O ATOM 1205 CB VAL A 81 -3.838 -6.526 2.921 1.00 0.00 C ATOM 1206 CG1 VAL A 81 -2.577 -7.068 2.265 1.00 0.00 C ATOM 1207 CG2 VAL A 81 -4.788 -5.993 1.860 1.00 0.00 C ATOM 0 H VAL A 81 -5.755 -6.043 4.456 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.960 -8.358 3.104 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.550 -5.712 3.586 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.109 -6.282 1.672 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.882 -7.405 3.035 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.835 -7.906 1.617 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.281 -5.232 1.267 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.103 -6.810 1.210 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.662 -5.554 2.341 1.00 0.00 H new ATOM 1217 N ALA A 82 -3.224 -7.634 5.819 1.00 0.00 N ATOM 1218 CA ALA A 82 -2.273 -8.179 6.782 1.00 0.00 C ATOM 1219 C ALA A 82 -2.798 -9.469 7.406 1.00 0.00 C ATOM 1220 O ALA A 82 -2.046 -10.426 7.589 1.00 0.00 O ATOM 1221 CB ALA A 82 -1.965 -7.158 7.868 1.00 0.00 C ATOM 0 H ALA A 82 -3.627 -6.736 6.085 1.00 0.00 H new ATOM 0 HA ALA A 82 -1.353 -8.410 6.246 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.254 -7.583 8.576 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.536 -6.264 7.416 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.884 -6.894 8.391 1.00 0.00 H new ATOM 1227 N SER A 83 -4.088 -9.489 7.719 1.00 0.00 N ATOM 1228 CA SER A 83 -4.714 -10.659 8.323 1.00 0.00 C ATOM 1229 C SER A 83 -5.012 -11.731 7.270 1.00 0.00 C ATOM 1230 O SER A 83 -5.383 -12.856 7.605 1.00 0.00 O ATOM 1231 CB SER A 83 -6.001 -10.237 9.042 1.00 0.00 C ATOM 1232 OG SER A 83 -6.658 -11.346 9.633 1.00 0.00 O ATOM 0 H SER A 83 -4.723 -8.706 7.564 1.00 0.00 H new ATOM 0 HA SER A 83 -4.023 -11.091 9.047 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.764 -9.502 9.811 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.672 -9.752 8.333 1.00 0.00 H new ATOM 0 HG SER A 83 -7.387 -11.643 9.050 1.00 0.00 H new ATOM 1238 N GLY A 84 -4.849 -11.382 6.002 1.00 0.00 N ATOM 1239 CA GLY A 84 -5.119 -12.326 4.935 1.00 0.00 C ATOM 1240 C GLY A 84 -6.604 -12.535 4.717 1.00 0.00 C ATOM 1241 O GLY A 84 -7.054 -13.658 4.474 1.00 0.00 O ATOM 0 H GLY A 84 -4.535 -10.462 5.692 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -4.665 -11.967 4.011 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -4.650 -13.281 5.170 1.00 0.00 H new ATOM 1245 N ASN A 85 -7.361 -11.455 4.811 1.00 0.00 N ATOM 1246 CA ASN A 85 -8.806 -11.508 4.627 1.00 0.00 C ATOM 1247 C ASN A 85 -9.168 -11.078 3.211 1.00 0.00 C ATOM 1248 O ASN A 85 -8.444 -10.299 2.588 1.00 0.00 O ATOM 1249 CB ASN A 85 -9.522 -10.588 5.627 1.00 0.00 C ATOM 1250 CG ASN A 85 -9.168 -10.868 7.077 1.00 0.00 C ATOM 1251 OD1 ASN A 85 -8.831 -11.990 7.451 1.00 0.00 O ATOM 1252 ND2 ASN A 85 -9.262 -9.843 7.914 1.00 0.00 N ATOM 0 H ASN A 85 -6.998 -10.524 5.015 1.00 0.00 H new ATOM 0 HA ASN A 85 -9.128 -12.535 4.797 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -9.274 -9.552 5.395 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -10.599 -10.695 5.498 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -9.052 -9.972 8.904 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -9.545 -8.926 7.568 1.00 0.00 H new ATOM 1259 N ARG A 86 -10.286 -11.587 2.706 1.00 0.00 N ATOM 1260 CA ARG A 86 -10.784 -11.168 1.402 1.00 0.00 C ATOM 1261 C ARG A 86 -11.279 -9.730 1.467 1.00 0.00 C ATOM 1262 O ARG A 86 -11.760 -9.269 2.505 1.00 0.00 O ATOM 1263 CB ARG A 86 -11.905 -12.089 0.910 1.00 0.00 C ATOM 1264 CG ARG A 86 -13.129 -12.113 1.812 1.00 0.00 C ATOM 1265 CD ARG A 86 -14.249 -12.936 1.200 1.00 0.00 C ATOM 1266 NE ARG A 86 -14.909 -12.244 0.093 1.00 0.00 N ATOM 1267 CZ ARG A 86 -15.386 -12.853 -0.995 1.00 0.00 C ATOM 1268 NH1 ARG A 86 -15.285 -14.171 -1.127 1.00 0.00 N ATOM 1269 NH2 ARG A 86 -15.983 -12.143 -1.942 1.00 0.00 N ATOM 0 H ARG A 86 -10.861 -12.286 3.176 1.00 0.00 H new ATOM 0 HA ARG A 86 -9.960 -11.233 0.692 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -12.209 -11.773 -0.088 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -11.514 -13.102 0.819 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -12.859 -12.527 2.784 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -13.476 -11.094 1.985 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -13.846 -13.884 0.844 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -14.985 -13.171 1.969 1.00 0.00 H new ATOM 0 HE ARG A 86 -15.011 -11.231 0.156 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -14.841 -14.724 -0.394 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -15.652 -14.630 -1.961 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -16.077 -11.133 -1.839 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -16.348 -12.607 -2.774 1.00 0.00 H new ATOM 1283 N ILE A 87 -11.172 -9.027 0.352 1.00 0.00 N ATOM 1284 CA ILE A 87 -11.523 -7.616 0.306 1.00 0.00 C ATOM 1285 C ILE A 87 -12.324 -7.305 -0.948 1.00 0.00 C ATOM 1286 O ILE A 87 -12.378 -8.113 -1.877 1.00 0.00 O ATOM 1287 CB ILE A 87 -10.276 -6.699 0.329 1.00 0.00 C ATOM 1288 CG1 ILE A 87 -9.380 -6.977 -0.885 1.00 0.00 C ATOM 1289 CG2 ILE A 87 -9.497 -6.880 1.623 1.00 0.00 C ATOM 1290 CD1 ILE A 87 -8.214 -6.022 -1.017 1.00 0.00 C ATOM 0 H ILE A 87 -10.845 -9.410 -0.535 1.00 0.00 H new ATOM 0 HA ILE A 87 -12.118 -7.418 1.197 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.613 -5.664 0.277 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.997 -7.995 -0.816 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -9.985 -6.924 -1.790 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -8.625 -6.226 1.617 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -10.135 -6.627 2.470 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -9.172 -7.917 1.710 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.628 -6.283 -1.898 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -8.588 -5.003 -1.119 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -7.585 -6.091 -0.129 1.00 0.00 H new ATOM 1302 N LEU A 88 -12.944 -6.137 -0.972 1.00 0.00 N ATOM 1303 CA LEU A 88 -13.635 -5.671 -2.159 1.00 0.00 C ATOM 1304 C LEU A 88 -12.738 -4.719 -2.932 1.00 0.00 C ATOM 1305 O LEU A 88 -12.560 -3.561 -2.550 1.00 0.00 O ATOM 1306 CB LEU A 88 -14.956 -4.980 -1.810 1.00 0.00 C ATOM 1307 CG LEU A 88 -16.057 -5.897 -1.277 1.00 0.00 C ATOM 1308 CD1 LEU A 88 -15.866 -6.187 0.207 1.00 0.00 C ATOM 1309 CD2 LEU A 88 -17.419 -5.281 -1.537 1.00 0.00 C ATOM 0 H LEU A 88 -12.982 -5.494 -0.181 1.00 0.00 H new ATOM 0 HA LEU A 88 -13.869 -6.539 -2.776 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -14.757 -4.209 -1.066 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -15.328 -4.474 -2.701 1.00 0.00 H new ATOM 0 HG LEU A 88 -15.996 -6.848 -1.806 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -16.665 -6.841 0.556 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -14.904 -6.675 0.361 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -15.893 -5.252 0.767 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -18.196 -5.942 -1.154 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -17.483 -4.316 -1.035 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -17.557 -5.142 -2.609 1.00 0.00 H new ATOM 1321 N ILE A 89 -12.151 -5.220 -4.001 1.00 0.00 N ATOM 1322 CA ILE A 89 -11.260 -4.417 -4.828 1.00 0.00 C ATOM 1323 C ILE A 89 -11.972 -3.991 -6.099 1.00 0.00 C ATOM 1324 O ILE A 89 -11.469 -3.169 -6.864 1.00 0.00 O ATOM 1325 CB ILE A 89 -9.969 -5.196 -5.199 1.00 0.00 C ATOM 1326 CG1 ILE A 89 -8.943 -4.278 -5.871 1.00 0.00 C ATOM 1327 CG2 ILE A 89 -10.291 -6.381 -6.106 1.00 0.00 C ATOM 1328 CD1 ILE A 89 -7.774 -5.021 -6.480 1.00 0.00 C ATOM 0 H ILE A 89 -12.273 -6.181 -4.321 1.00 0.00 H new ATOM 0 HA ILE A 89 -10.976 -3.538 -4.249 1.00 0.00 H new ATOM 0 HB ILE A 89 -9.535 -5.574 -4.274 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -9.440 -3.699 -6.649 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -8.567 -3.567 -5.136 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -9.371 -6.911 -6.352 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -10.973 -7.058 -5.592 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -10.759 -6.021 -7.022 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -7.088 -4.308 -6.938 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -7.252 -5.578 -5.702 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -8.138 -5.713 -7.239 1.00 0.00 H new ATOM 1340 N LYS A 90 -13.169 -4.532 -6.278 1.00 0.00 N ATOM 1341 CA LYS A 90 -13.895 -4.429 -7.533 1.00 0.00 C ATOM 1342 C LYS A 90 -13.144 -5.192 -8.600 1.00 0.00 C ATOM 1343 O LYS A 90 -13.430 -6.360 -8.839 1.00 0.00 O ATOM 1344 CB LYS A 90 -14.117 -2.971 -7.951 1.00 0.00 C ATOM 1345 CG LYS A 90 -15.571 -2.641 -8.207 1.00 0.00 C ATOM 1346 CD LYS A 90 -16.428 -3.063 -7.034 1.00 0.00 C ATOM 1347 CE LYS A 90 -17.874 -2.637 -7.215 1.00 0.00 C ATOM 1348 NZ LYS A 90 -18.518 -3.316 -8.371 1.00 0.00 N ATOM 0 H LYS A 90 -13.663 -5.055 -5.555 1.00 0.00 H new ATOM 0 HA LYS A 90 -14.885 -4.865 -7.399 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.733 -2.313 -7.171 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -13.540 -2.766 -8.853 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -15.682 -1.570 -8.378 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -15.910 -3.145 -9.112 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -16.379 -4.146 -6.918 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -16.032 -2.626 -6.117 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -18.433 -2.860 -6.307 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -17.918 -1.557 -7.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -19.529 -3.074 -8.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -18.065 -3.004 -9.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -18.411 -4.346 -8.273 1.00 0.00 H new ATOM 1362 N ASN A 91 -12.154 -4.547 -9.193 1.00 0.00 N ATOM 1363 CA ASN A 91 -11.289 -5.170 -10.176 1.00 0.00 C ATOM 1364 C ASN A 91 -9.948 -4.468 -10.162 1.00 0.00 C ATOM 1365 O ASN A 91 -9.888 -3.244 -10.258 1.00 0.00 O ATOM 1366 CB ASN A 91 -11.900 -5.113 -11.581 1.00 0.00 C ATOM 1367 CG ASN A 91 -12.376 -6.473 -12.064 1.00 0.00 C ATOM 1368 OD1 ASN A 91 -12.341 -6.772 -13.253 1.00 0.00 O ATOM 1369 ND2 ASN A 91 -12.833 -7.300 -11.140 1.00 0.00 N ATOM 0 H ASN A 91 -11.928 -3.571 -9.004 1.00 0.00 H new ATOM 0 HA ASN A 91 -11.166 -6.222 -9.917 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -12.739 -4.417 -11.581 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -11.161 -4.721 -12.280 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -13.173 -8.224 -11.406 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -12.846 -7.014 -10.161 1.00 0.00 H new ATOM 1376 N PRO A 92 -8.857 -5.227 -10.009 1.00 0.00 N ATOM 1377 CA PRO A 92 -7.509 -4.660 -9.978 1.00 0.00 C ATOM 1378 C PRO A 92 -7.209 -3.864 -11.244 1.00 0.00 C ATOM 1379 O PRO A 92 -6.919 -2.672 -11.172 1.00 0.00 O ATOM 1380 CB PRO A 92 -6.597 -5.887 -9.854 1.00 0.00 C ATOM 1381 CG PRO A 92 -7.444 -7.053 -10.234 1.00 0.00 C ATOM 1382 CD PRO A 92 -8.848 -6.688 -9.850 1.00 0.00 C ATOM 0 HA PRO A 92 -7.371 -3.953 -9.160 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.731 -5.800 -10.511 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -6.217 -5.993 -8.838 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -7.372 -7.256 -11.303 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -7.120 -7.956 -9.716 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -9.583 -7.170 -10.495 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.078 -6.985 -8.827 1.00 0.00 H new ATOM 1390 N GLU A 93 -7.290 -4.543 -12.393 1.00 0.00 N ATOM 1391 CA GLU A 93 -7.199 -3.914 -13.714 1.00 0.00 C ATOM 1392 C GLU A 93 -5.908 -3.127 -13.927 1.00 0.00 C ATOM 1393 O GLU A 93 -4.953 -3.628 -14.523 1.00 0.00 O ATOM 1394 CB GLU A 93 -8.408 -3.002 -13.959 1.00 0.00 C ATOM 1395 CG GLU A 93 -9.699 -3.762 -14.195 1.00 0.00 C ATOM 1396 CD GLU A 93 -9.621 -4.640 -15.423 1.00 0.00 C ATOM 1397 OE1 GLU A 93 -9.797 -4.115 -16.543 1.00 0.00 O ATOM 1398 OE2 GLU A 93 -9.366 -5.853 -15.278 1.00 0.00 O ATOM 0 H GLU A 93 -7.422 -5.554 -12.432 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.193 -4.731 -14.436 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -8.535 -2.342 -13.101 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.206 -2.367 -14.822 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -9.923 -4.377 -13.323 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -10.521 -3.055 -14.306 1.00 0.00 H new ATOM 1405 N TYR A 94 -5.881 -1.903 -13.419 1.00 0.00 N ATOM 1406 CA TYR A 94 -4.820 -0.954 -13.725 1.00 0.00 C ATOM 1407 C TYR A 94 -3.618 -1.146 -12.812 1.00 0.00 C ATOM 1408 O TYR A 94 -3.153 -0.205 -12.164 1.00 0.00 O ATOM 1409 CB TYR A 94 -5.359 0.476 -13.613 1.00 0.00 C ATOM 1410 CG TYR A 94 -6.654 0.682 -14.366 1.00 0.00 C ATOM 1411 CD1 TYR A 94 -6.746 0.391 -15.722 1.00 0.00 C ATOM 1412 CD2 TYR A 94 -7.792 1.146 -13.716 1.00 0.00 C ATOM 1413 CE1 TYR A 94 -7.931 0.562 -16.408 1.00 0.00 C ATOM 1414 CE2 TYR A 94 -8.982 1.315 -14.398 1.00 0.00 C ATOM 1415 CZ TYR A 94 -9.043 1.023 -15.743 1.00 0.00 C ATOM 1416 OH TYR A 94 -10.231 1.176 -16.427 1.00 0.00 O ATOM 0 H TYR A 94 -6.592 -1.540 -12.784 1.00 0.00 H new ATOM 0 HA TYR A 94 -4.484 -1.134 -14.746 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -5.514 0.718 -12.562 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.610 1.171 -13.993 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.876 0.025 -16.247 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -7.745 1.378 -12.662 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.985 0.335 -17.462 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -9.859 1.674 -13.880 1.00 0.00 H new ATOM 0 HH TYR A 94 -10.920 1.509 -15.815 1.00 0.00 H new ATOM 1426 N PHE A 95 -3.122 -2.369 -12.761 1.00 0.00 N ATOM 1427 CA PHE A 95 -1.897 -2.666 -12.044 1.00 0.00 C ATOM 1428 C PHE A 95 -0.814 -3.028 -13.053 1.00 0.00 C ATOM 1429 O PHE A 95 -0.429 -4.190 -13.203 1.00 0.00 O ATOM 1430 CB PHE A 95 -2.110 -3.789 -11.020 1.00 0.00 C ATOM 1431 CG PHE A 95 -0.934 -4.008 -10.108 1.00 0.00 C ATOM 1432 CD1 PHE A 95 -0.367 -2.946 -9.419 1.00 0.00 C ATOM 1433 CD2 PHE A 95 -0.398 -5.274 -9.936 1.00 0.00 C ATOM 1434 CE1 PHE A 95 0.711 -3.145 -8.579 1.00 0.00 C ATOM 1435 CE2 PHE A 95 0.680 -5.475 -9.096 1.00 0.00 C ATOM 1436 CZ PHE A 95 1.237 -4.410 -8.418 1.00 0.00 C ATOM 0 H PHE A 95 -3.553 -3.177 -13.211 1.00 0.00 H new ATOM 0 HA PHE A 95 -1.583 -1.787 -11.481 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -2.988 -3.557 -10.417 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.324 -4.717 -11.551 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -0.773 -1.953 -9.541 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -0.827 -6.112 -10.464 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.143 -2.310 -8.048 1.00 0.00 H new ATOM 0 HE2 PHE A 95 1.088 -6.467 -8.970 1.00 0.00 H new ATOM 0 HZ PHE A 95 2.082 -4.566 -7.764 1.00 0.00 H new ATOM 1446 N SER A 96 -0.370 -2.013 -13.775 1.00 0.00 N ATOM 1447 CA SER A 96 0.588 -2.171 -14.858 1.00 0.00 C ATOM 1448 C SER A 96 1.907 -2.741 -14.390 1.00 0.00 C ATOM 1449 O SER A 96 2.394 -2.456 -13.290 1.00 0.00 O ATOM 1450 CB SER A 96 0.805 -0.825 -15.537 1.00 0.00 C ATOM 1451 OG SER A 96 -0.438 -0.210 -15.824 1.00 0.00 O ATOM 0 H SER A 96 -0.666 -1.048 -13.625 1.00 0.00 H new ATOM 0 HA SER A 96 0.173 -2.887 -15.567 1.00 0.00 H new ATOM 0 HB2 SER A 96 1.398 -0.177 -14.892 1.00 0.00 H new ATOM 0 HB3 SER A 96 1.371 -0.962 -16.458 1.00 0.00 H new ATOM 0 HG SER A 96 -0.283 0.655 -16.258 1.00 0.00 H new ATOM 1457 N THR A 97 2.467 -3.543 -15.272 1.00 0.00 N ATOM 1458 CA THR A 97 3.690 -4.263 -15.037 1.00 0.00 C ATOM 1459 C THR A 97 4.826 -3.353 -14.592 1.00 0.00 C ATOM 1460 O THR A 97 5.616 -3.723 -13.731 1.00 0.00 O ATOM 1461 CB THR A 97 4.097 -4.974 -16.322 1.00 0.00 C ATOM 1462 OG1 THR A 97 2.951 -5.606 -16.906 1.00 0.00 O ATOM 1463 CG2 THR A 97 5.160 -6.000 -16.028 1.00 0.00 C ATOM 0 H THR A 97 2.069 -3.713 -16.196 1.00 0.00 H new ATOM 0 HA THR A 97 3.506 -4.975 -14.232 1.00 0.00 H new ATOM 0 HB THR A 97 4.499 -4.244 -17.025 1.00 0.00 H new ATOM 0 HG1 THR A 97 3.214 -6.061 -17.733 1.00 0.00 H new ATOM 0 HG21 THR A 97 5.445 -6.503 -16.952 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.033 -5.507 -15.599 1.00 0.00 H new ATOM 0 HG23 THR A 97 4.773 -6.733 -15.320 1.00 0.00 H new ATOM 1471 N TYR A 98 4.896 -2.163 -15.167 1.00 0.00 N ATOM 1472 CA TYR A 98 5.995 -1.252 -14.887 1.00 0.00 C ATOM 1473 C TYR A 98 6.065 -0.910 -13.399 1.00 0.00 C ATOM 1474 O TYR A 98 7.147 -0.815 -12.829 1.00 0.00 O ATOM 1475 CB TYR A 98 5.859 0.021 -15.720 1.00 0.00 C ATOM 1476 CG TYR A 98 7.122 0.845 -15.750 1.00 0.00 C ATOM 1477 CD1 TYR A 98 8.234 0.408 -16.457 1.00 0.00 C ATOM 1478 CD2 TYR A 98 7.205 2.052 -15.072 1.00 0.00 C ATOM 1479 CE1 TYR A 98 9.397 1.154 -16.487 1.00 0.00 C ATOM 1480 CE2 TYR A 98 8.360 2.805 -15.098 1.00 0.00 C ATOM 1481 CZ TYR A 98 9.452 2.351 -15.804 1.00 0.00 C ATOM 1482 OH TYR A 98 10.605 3.099 -15.822 1.00 0.00 O ATOM 0 H TYR A 98 4.207 -1.806 -15.829 1.00 0.00 H new ATOM 0 HA TYR A 98 6.923 -1.753 -15.161 1.00 0.00 H new ATOM 0 HB2 TYR A 98 5.582 -0.247 -16.740 1.00 0.00 H new ATOM 0 HB3 TYR A 98 5.047 0.626 -15.318 1.00 0.00 H new ATOM 0 HD1 TYR A 98 8.190 -0.529 -16.992 1.00 0.00 H new ATOM 0 HD2 TYR A 98 6.351 2.408 -14.515 1.00 0.00 H new ATOM 0 HE1 TYR A 98 10.255 0.803 -17.040 1.00 0.00 H new ATOM 0 HE2 TYR A 98 8.408 3.745 -14.568 1.00 0.00 H new ATOM 0 HH TYR A 98 10.475 3.913 -15.292 1.00 0.00 H new ATOM 1492 N MET A 99 4.909 -0.756 -12.770 1.00 0.00 N ATOM 1493 CA MET A 99 4.858 -0.448 -11.348 1.00 0.00 C ATOM 1494 C MET A 99 5.174 -1.690 -10.524 1.00 0.00 C ATOM 1495 O MET A 99 5.901 -1.627 -9.533 1.00 0.00 O ATOM 1496 CB MET A 99 3.483 0.104 -10.966 1.00 0.00 C ATOM 1497 CG MET A 99 3.138 1.413 -11.654 1.00 0.00 C ATOM 1498 SD MET A 99 1.536 2.067 -11.145 1.00 0.00 S ATOM 1499 CE MET A 99 0.437 0.773 -11.716 1.00 0.00 C ATOM 0 H MET A 99 3.997 -0.839 -13.219 1.00 0.00 H new ATOM 0 HA MET A 99 5.608 0.313 -11.135 1.00 0.00 H new ATOM 0 HB2 MET A 99 2.723 -0.637 -11.212 1.00 0.00 H new ATOM 0 HB3 MET A 99 3.447 0.251 -9.887 1.00 0.00 H new ATOM 0 HG2 MET A 99 3.912 2.149 -11.435 1.00 0.00 H new ATOM 0 HG3 MET A 99 3.138 1.262 -12.734 1.00 0.00 H new ATOM 0 HE1 MET A 99 -0.578 1.163 -11.786 1.00 0.00 H new ATOM 0 HE2 MET A 99 0.762 0.427 -12.697 1.00 0.00 H new ATOM 0 HE3 MET A 99 0.458 -0.059 -11.012 1.00 0.00 H new ATOM 1509 N GLN A 100 4.634 -2.820 -10.957 1.00 0.00 N ATOM 1510 CA GLN A 100 4.859 -4.093 -10.289 1.00 0.00 C ATOM 1511 C GLN A 100 6.338 -4.468 -10.323 1.00 0.00 C ATOM 1512 O GLN A 100 6.922 -4.831 -9.302 1.00 0.00 O ATOM 1513 CB GLN A 100 4.026 -5.182 -10.969 1.00 0.00 C ATOM 1514 CG GLN A 100 4.163 -6.551 -10.332 1.00 0.00 C ATOM 1515 CD GLN A 100 3.346 -7.602 -11.053 1.00 0.00 C ATOM 1516 OE1 GLN A 100 2.179 -7.829 -10.730 1.00 0.00 O ATOM 1517 NE2 GLN A 100 3.948 -8.250 -12.037 1.00 0.00 N ATOM 0 H GLN A 100 4.031 -2.880 -11.777 1.00 0.00 H new ATOM 0 HA GLN A 100 4.555 -4.000 -9.246 1.00 0.00 H new ATOM 0 HB2 GLN A 100 2.977 -4.887 -10.950 1.00 0.00 H new ATOM 0 HB3 GLN A 100 4.320 -5.249 -12.017 1.00 0.00 H new ATOM 0 HG2 GLN A 100 5.212 -6.846 -10.332 1.00 0.00 H new ATOM 0 HG3 GLN A 100 3.846 -6.498 -9.290 1.00 0.00 H new ATOM 0 HE21 GLN A 100 4.916 -8.032 -12.274 1.00 0.00 H new ATOM 0 HE22 GLN A 100 3.444 -8.967 -12.559 1.00 0.00 H new ATOM 1526 N GLU A 101 6.935 -4.357 -11.501 1.00 0.00 N ATOM 1527 CA GLU A 101 8.338 -4.707 -11.705 1.00 0.00 C ATOM 1528 C GLU A 101 9.253 -3.707 -10.995 1.00 0.00 C ATOM 1529 O GLU A 101 10.359 -4.052 -10.582 1.00 0.00 O ATOM 1530 CB GLU A 101 8.635 -4.758 -13.207 1.00 0.00 C ATOM 1531 CG GLU A 101 10.043 -5.214 -13.561 1.00 0.00 C ATOM 1532 CD GLU A 101 10.395 -6.575 -12.990 1.00 0.00 C ATOM 1533 OE1 GLU A 101 9.854 -7.594 -13.472 1.00 0.00 O ATOM 1534 OE2 GLU A 101 11.221 -6.638 -12.057 1.00 0.00 O ATOM 0 H GLU A 101 6.464 -4.023 -12.342 1.00 0.00 H new ATOM 0 HA GLU A 101 8.531 -5.690 -11.274 1.00 0.00 H new ATOM 0 HB2 GLU A 101 7.920 -5.429 -13.682 1.00 0.00 H new ATOM 0 HB3 GLU A 101 8.472 -3.767 -13.630 1.00 0.00 H new ATOM 0 HG2 GLU A 101 10.145 -5.245 -14.646 1.00 0.00 H new ATOM 0 HG3 GLU A 101 10.759 -4.478 -13.195 1.00 0.00 H new ATOM 1541 N GLN A 102 8.783 -2.475 -10.837 1.00 0.00 N ATOM 1542 CA GLN A 102 9.537 -1.455 -10.108 1.00 0.00 C ATOM 1543 C GLN A 102 9.642 -1.842 -8.639 1.00 0.00 C ATOM 1544 O GLN A 102 10.722 -1.817 -8.045 1.00 0.00 O ATOM 1545 CB GLN A 102 8.853 -0.096 -10.231 1.00 0.00 C ATOM 1546 CG GLN A 102 9.713 1.071 -9.761 1.00 0.00 C ATOM 1547 CD GLN A 102 11.021 1.188 -10.524 1.00 0.00 C ATOM 1548 OE1 GLN A 102 11.109 0.841 -11.702 1.00 0.00 O ATOM 1549 NE2 GLN A 102 12.048 1.683 -9.855 1.00 0.00 N ATOM 0 H GLN A 102 7.886 -2.156 -11.202 1.00 0.00 H new ATOM 0 HA GLN A 102 10.536 -1.387 -10.539 1.00 0.00 H new ATOM 0 HB2 GLN A 102 8.574 0.067 -11.272 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.930 -0.111 -9.652 1.00 0.00 H new ATOM 0 HG2 GLN A 102 9.150 1.998 -9.871 1.00 0.00 H new ATOM 0 HG3 GLN A 102 9.927 0.953 -8.699 1.00 0.00 H new ATOM 0 HE21 GLN A 102 11.936 1.959 -8.880 1.00 0.00 H new ATOM 0 HE22 GLN A 102 12.953 1.789 -10.314 1.00 0.00 H new ATOM 1558 N LEU A 103 8.503 -2.194 -8.062 1.00 0.00 N ATOM 1559 CA LEU A 103 8.453 -2.679 -6.685 1.00 0.00 C ATOM 1560 C LEU A 103 9.250 -3.973 -6.552 1.00 0.00 C ATOM 1561 O LEU A 103 10.006 -4.156 -5.599 1.00 0.00 O ATOM 1562 CB LEU A 103 7.004 -2.917 -6.257 1.00 0.00 C ATOM 1563 CG LEU A 103 6.099 -1.684 -6.302 1.00 0.00 C ATOM 1564 CD1 LEU A 103 4.663 -2.068 -5.986 1.00 0.00 C ATOM 1565 CD2 LEU A 103 6.592 -0.619 -5.330 1.00 0.00 C ATOM 0 H LEU A 103 7.595 -2.154 -8.526 1.00 0.00 H new ATOM 0 HA LEU A 103 8.893 -1.922 -6.036 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.574 -3.686 -6.899 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.003 -3.312 -5.241 1.00 0.00 H new ATOM 0 HG LEU A 103 6.134 -1.270 -7.310 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.032 -1.180 -6.022 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.311 -2.793 -6.719 1.00 0.00 H new ATOM 0 HD13 LEU A 103 4.615 -2.507 -4.989 1.00 0.00 H new ATOM 0 HD21 LEU A 103 5.935 0.249 -5.378 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.589 -1.021 -4.317 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.606 -0.322 -5.599 1.00 0.00 H new ATOM 1577 N LYS A 104 9.069 -4.860 -7.525 1.00 0.00 N ATOM 1578 CA LYS A 104 9.774 -6.134 -7.575 1.00 0.00 C ATOM 1579 C LYS A 104 11.291 -5.925 -7.610 1.00 0.00 C ATOM 1580 O LYS A 104 12.044 -6.686 -6.997 1.00 0.00 O ATOM 1581 CB LYS A 104 9.287 -6.919 -8.801 1.00 0.00 C ATOM 1582 CG LYS A 104 10.065 -8.184 -9.113 1.00 0.00 C ATOM 1583 CD LYS A 104 9.307 -9.047 -10.111 1.00 0.00 C ATOM 1584 CE LYS A 104 10.218 -10.030 -10.826 1.00 0.00 C ATOM 1585 NZ LYS A 104 11.116 -9.343 -11.790 1.00 0.00 N ATOM 0 H LYS A 104 8.426 -4.714 -8.304 1.00 0.00 H new ATOM 0 HA LYS A 104 9.557 -6.706 -6.673 1.00 0.00 H new ATOM 0 HB2 LYS A 104 8.241 -7.184 -8.650 1.00 0.00 H new ATOM 0 HB3 LYS A 104 9.327 -6.264 -9.671 1.00 0.00 H new ATOM 0 HG2 LYS A 104 11.043 -7.925 -9.518 1.00 0.00 H new ATOM 0 HG3 LYS A 104 10.238 -8.746 -8.196 1.00 0.00 H new ATOM 0 HD2 LYS A 104 8.520 -9.595 -9.592 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.818 -8.407 -10.845 1.00 0.00 H new ATOM 0 HE2 LYS A 104 10.816 -10.571 -10.093 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.614 -10.769 -11.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 12.006 -9.874 -11.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 10.653 -9.293 -12.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 11.318 -8.381 -11.451 1.00 0.00 H new ATOM 1599 N GLU A 105 11.724 -4.884 -8.316 1.00 0.00 N ATOM 1600 CA GLU A 105 13.132 -4.499 -8.352 1.00 0.00 C ATOM 1601 C GLU A 105 13.641 -4.204 -6.947 1.00 0.00 C ATOM 1602 O GLU A 105 14.620 -4.797 -6.492 1.00 0.00 O ATOM 1603 CB GLU A 105 13.316 -3.261 -9.234 1.00 0.00 C ATOM 1604 CG GLU A 105 14.743 -2.740 -9.284 1.00 0.00 C ATOM 1605 CD GLU A 105 14.862 -1.459 -10.082 1.00 0.00 C ATOM 1606 OE1 GLU A 105 15.065 -1.538 -11.313 1.00 0.00 O ATOM 1607 OE2 GLU A 105 14.755 -0.366 -9.488 1.00 0.00 O ATOM 0 H GLU A 105 11.114 -4.288 -8.875 1.00 0.00 H new ATOM 0 HA GLU A 105 13.704 -5.328 -8.768 1.00 0.00 H new ATOM 0 HB2 GLU A 105 12.992 -3.499 -10.247 1.00 0.00 H new ATOM 0 HB3 GLU A 105 12.664 -2.468 -8.869 1.00 0.00 H new ATOM 0 HG2 GLU A 105 15.099 -2.567 -8.269 1.00 0.00 H new ATOM 0 HG3 GLU A 105 15.389 -3.500 -9.723 1.00 0.00 H new ATOM 1614 N LEU A 106 12.945 -3.299 -6.263 1.00 0.00 N ATOM 1615 CA LEU A 106 13.320 -2.872 -4.918 1.00 0.00 C ATOM 1616 C LEU A 106 13.411 -4.078 -3.983 1.00 0.00 C ATOM 1617 O LEU A 106 14.371 -4.217 -3.217 1.00 0.00 O ATOM 1618 CB LEU A 106 12.287 -1.855 -4.402 1.00 0.00 C ATOM 1619 CG LEU A 106 12.712 -0.997 -3.202 1.00 0.00 C ATOM 1620 CD1 LEU A 106 11.789 0.205 -3.068 1.00 0.00 C ATOM 1621 CD2 LEU A 106 12.698 -1.802 -1.910 1.00 0.00 C ATOM 0 H LEU A 106 12.108 -2.842 -6.624 1.00 0.00 H new ATOM 0 HA LEU A 106 14.301 -2.397 -4.947 1.00 0.00 H new ATOM 0 HB2 LEU A 106 12.025 -1.188 -5.223 1.00 0.00 H new ATOM 0 HB3 LEU A 106 11.381 -2.397 -4.130 1.00 0.00 H new ATOM 0 HG LEU A 106 13.732 -0.657 -3.379 1.00 0.00 H new ATOM 0 HD11 LEU A 106 12.098 0.808 -2.214 1.00 0.00 H new ATOM 0 HD12 LEU A 106 11.842 0.807 -3.975 1.00 0.00 H new ATOM 0 HD13 LEU A 106 10.765 -0.137 -2.919 1.00 0.00 H new ATOM 0 HD21 LEU A 106 13.004 -1.164 -1.081 1.00 0.00 H new ATOM 0 HD22 LEU A 106 11.692 -2.178 -1.726 1.00 0.00 H new ATOM 0 HD23 LEU A 106 13.389 -2.641 -1.997 1.00 0.00 H new ATOM 1633 N VAL A 107 12.412 -4.951 -4.065 1.00 0.00 N ATOM 1634 CA VAL A 107 12.355 -6.146 -3.232 1.00 0.00 C ATOM 1635 C VAL A 107 13.537 -7.073 -3.521 1.00 0.00 C ATOM 1636 O VAL A 107 14.156 -7.607 -2.599 1.00 0.00 O ATOM 1637 CB VAL A 107 11.025 -6.911 -3.448 1.00 0.00 C ATOM 1638 CG1 VAL A 107 11.002 -8.212 -2.659 1.00 0.00 C ATOM 1639 CG2 VAL A 107 9.843 -6.038 -3.060 1.00 0.00 C ATOM 0 H VAL A 107 11.625 -4.851 -4.706 1.00 0.00 H new ATOM 0 HA VAL A 107 12.409 -5.823 -2.192 1.00 0.00 H new ATOM 0 HB VAL A 107 10.949 -7.158 -4.507 1.00 0.00 H new ATOM 0 HG11 VAL A 107 10.056 -8.725 -2.831 1.00 0.00 H new ATOM 0 HG12 VAL A 107 11.825 -8.849 -2.983 1.00 0.00 H new ATOM 0 HG13 VAL A 107 11.108 -7.995 -1.596 1.00 0.00 H new ATOM 0 HG21 VAL A 107 8.916 -6.590 -3.217 1.00 0.00 H new ATOM 0 HG22 VAL A 107 9.926 -5.760 -2.009 1.00 0.00 H new ATOM 0 HG23 VAL A 107 9.838 -5.138 -3.675 1.00 0.00 H new ATOM 1649 N LEU A 108 13.858 -7.237 -4.798 1.00 0.00 N ATOM 1650 CA LEU A 108 14.913 -8.155 -5.223 1.00 0.00 C ATOM 1651 C LEU A 108 16.296 -7.695 -4.755 1.00 0.00 C ATOM 1652 O LEU A 108 17.074 -8.501 -4.234 1.00 0.00 O ATOM 1653 CB LEU A 108 14.904 -8.294 -6.748 1.00 0.00 C ATOM 1654 CG LEU A 108 15.929 -9.272 -7.326 1.00 0.00 C ATOM 1655 CD1 LEU A 108 15.645 -10.693 -6.856 1.00 0.00 C ATOM 1656 CD2 LEU A 108 15.930 -9.201 -8.846 1.00 0.00 C ATOM 0 H LEU A 108 13.400 -6.743 -5.564 1.00 0.00 H new ATOM 0 HA LEU A 108 14.710 -9.122 -4.762 1.00 0.00 H new ATOM 0 HB2 LEU A 108 13.909 -8.611 -7.061 1.00 0.00 H new ATOM 0 HB3 LEU A 108 15.078 -7.311 -7.186 1.00 0.00 H new ATOM 0 HG LEU A 108 16.917 -8.987 -6.965 1.00 0.00 H new ATOM 0 HD11 LEU A 108 16.386 -11.371 -7.279 1.00 0.00 H new ATOM 0 HD12 LEU A 108 15.696 -10.733 -5.768 1.00 0.00 H new ATOM 0 HD13 LEU A 108 14.650 -10.993 -7.184 1.00 0.00 H new ATOM 0 HD21 LEU A 108 16.664 -9.902 -9.243 1.00 0.00 H new ATOM 0 HD22 LEU A 108 14.941 -9.460 -9.223 1.00 0.00 H new ATOM 0 HD23 LEU A 108 16.186 -8.190 -9.163 1.00 0.00 H new ATOM 1668 N GLU A 109 16.577 -6.398 -4.918 1.00 0.00 N ATOM 1669 CA GLU A 109 17.913 -5.839 -4.667 1.00 0.00 C ATOM 1670 C GLU A 109 18.495 -6.260 -3.321 1.00 0.00 C ATOM 1671 O GLU A 109 19.667 -6.628 -3.235 1.00 0.00 O ATOM 1672 CB GLU A 109 17.880 -4.312 -4.710 1.00 0.00 C ATOM 1673 CG GLU A 109 17.468 -3.721 -6.044 1.00 0.00 C ATOM 1674 CD GLU A 109 17.563 -2.212 -6.037 1.00 0.00 C ATOM 1675 OE1 GLU A 109 16.832 -1.569 -5.254 1.00 0.00 O ATOM 1676 OE2 GLU A 109 18.388 -1.663 -6.795 1.00 0.00 O ATOM 0 H GLU A 109 15.891 -5.709 -5.226 1.00 0.00 H new ATOM 0 HA GLU A 109 18.549 -6.236 -5.458 1.00 0.00 H new ATOM 0 HB2 GLU A 109 17.192 -3.956 -3.943 1.00 0.00 H new ATOM 0 HB3 GLU A 109 18.869 -3.934 -4.451 1.00 0.00 H new ATOM 0 HG2 GLU A 109 18.104 -4.123 -6.833 1.00 0.00 H new ATOM 0 HG3 GLU A 109 16.446 -4.021 -6.275 1.00 0.00 H new ATOM 1683 N HIS A 110 17.692 -6.192 -2.271 1.00 0.00 N ATOM 1684 CA HIS A 110 18.206 -6.428 -0.928 1.00 0.00 C ATOM 1685 C HIS A 110 17.921 -7.853 -0.467 1.00 0.00 C ATOM 1686 O HIS A 110 18.248 -8.226 0.660 1.00 0.00 O ATOM 1687 CB HIS A 110 17.607 -5.419 0.056 1.00 0.00 C ATOM 1688 CG HIS A 110 18.451 -5.203 1.278 1.00 0.00 C ATOM 1689 ND1 HIS A 110 18.152 -5.735 2.512 1.00 0.00 N ATOM 1690 CD2 HIS A 110 19.602 -4.508 1.442 1.00 0.00 C ATOM 1691 CE1 HIS A 110 19.077 -5.375 3.382 1.00 0.00 C ATOM 1692 NE2 HIS A 110 19.970 -4.632 2.757 1.00 0.00 N ATOM 0 H HIS A 110 16.696 -5.979 -2.319 1.00 0.00 H new ATOM 0 HA HIS A 110 19.288 -6.296 -0.955 1.00 0.00 H new ATOM 0 HB2 HIS A 110 17.468 -4.465 -0.453 1.00 0.00 H new ATOM 0 HB3 HIS A 110 16.619 -5.764 0.362 1.00 0.00 H new ATOM 0 HD2 HIS A 110 20.132 -3.958 0.678 1.00 0.00 H new ATOM 0 HE1 HIS A 110 19.099 -5.643 4.428 1.00 0.00 H new ATOM 0 HE2 HIS A 110 20.799 -4.217 3.183 1.00 0.00 H new TER 1701 HIS A 110