USER MOD reduce.3.24.130724 H: found=0, std=0, add=950, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 948 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 34 CYS SG : rot -132:sc= 0.449 USER MOD Set 1.2: A 37 CYS SG : rot 150:sc= -0.581 USER MOD Single : A 1 GLY N :NH3+ -141:sc= 0.0462 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.12 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -1.06 K(o=-1.1,f=-10!) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.71 USER MOD Single : A 16 ASN : amide:sc= -0.198 K(o=-0.2,f=-1.6) USER MOD Single : A 26 MET CE :methyl 169:sc=-0.00287 (180deg=-0.0508) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -1.27 K(o=-1.3,f=-2.4) USER MOD Single : A 39 ASN : amide:sc= -0.0693 K(o=-0.069,f=-1.5!) USER MOD Single : A 41 GLN :FLIP amide:sc= -0.887 F(o=-1.6!,f=-0.89) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0.218 X(o=0.22,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.252 USER MOD Single : A 66 GLN : amide:sc= -4.88 K(o=-4.9,f=-7.4!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.345 K(o=-0.34,f=-7!) USER MOD Single : A 80 THR OG1 : rot 97:sc= 1.2 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= -0.32 X(o=-0.32,f=-0.14) USER MOD Single : A 84 CYS SG : rot 109:sc= 0.683 USER MOD Single : A 85 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00882) USER MOD Single : A 92 TYR OH : rot 133:sc= -3.15 USER MOD Single : A 93 GLN : amide:sc= -0.254 X(o=-0.25,f=-0.11) USER MOD Single : A 97 THR OG1 : rot 125:sc= -0.904 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -0.45 X(o=-0.45,f=-0.28) USER MOD Single : A 106 SER OG : rot 180:sc= -0.333 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0419) USER MOD Single : A 112 SER OG : rot -49:sc= 1.15 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 160:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.431 -14.352 8.008 1.00 0.00 N ATOM 2 CA GLY A 1 -14.120 -15.621 8.153 1.00 0.00 C ATOM 3 C GLY A 1 -14.281 -16.348 6.833 1.00 0.00 C ATOM 4 O GLY A 1 -13.522 -16.116 5.892 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.788 -14.212 8.813 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.884 -14.353 7.124 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.127 -13.580 7.983 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.567 -16.254 8.847 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.103 -15.449 8.592 1.00 0.00 H new ATOM 8 N SER A 2 -15.272 -17.232 6.762 1.00 0.00 N ATOM 9 CA SER A 2 -15.526 -18.000 5.549 1.00 0.00 C ATOM 10 C SER A 2 -16.882 -17.636 4.951 1.00 0.00 C ATOM 11 O SER A 2 -17.871 -18.340 5.152 1.00 0.00 O ATOM 12 CB SER A 2 -15.475 -19.499 5.849 1.00 0.00 C ATOM 13 OG SER A 2 -15.411 -20.256 4.653 1.00 0.00 O ATOM 0 H SER A 2 -15.912 -17.434 7.530 1.00 0.00 H new ATOM 0 HA SER A 2 -14.750 -17.755 4.824 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.607 -19.720 6.470 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.357 -19.789 6.420 1.00 0.00 H new ATOM 0 HG SER A 2 -15.378 -21.211 4.872 1.00 0.00 H new ATOM 19 N SER A 3 -16.918 -16.530 4.213 1.00 0.00 N ATOM 20 CA SER A 3 -18.152 -16.069 3.588 1.00 0.00 C ATOM 21 C SER A 3 -17.879 -14.901 2.644 1.00 0.00 C ATOM 22 O SER A 3 -17.486 -13.819 3.076 1.00 0.00 O ATOM 23 CB SER A 3 -19.165 -15.651 4.655 1.00 0.00 C ATOM 24 OG SER A 3 -20.492 -15.757 4.169 1.00 0.00 O ATOM 0 H SER A 3 -16.107 -15.938 4.034 1.00 0.00 H new ATOM 0 HA SER A 3 -18.566 -16.894 3.008 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.047 -16.278 5.538 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.969 -14.624 4.965 1.00 0.00 H new ATOM 0 HG SER A 3 -21.120 -15.486 4.871 1.00 0.00 H new ATOM 30 N GLY A 4 -18.091 -15.131 1.352 1.00 0.00 N ATOM 31 CA GLY A 4 -17.863 -14.090 0.367 1.00 0.00 C ATOM 32 C GLY A 4 -16.440 -13.569 0.392 1.00 0.00 C ATOM 33 O GLY A 4 -15.579 -14.129 1.071 1.00 0.00 O ATOM 0 H GLY A 4 -18.416 -16.019 0.970 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.087 -14.479 -0.626 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.552 -13.265 0.549 1.00 0.00 H new ATOM 37 N SER A 5 -16.191 -12.496 -0.352 1.00 0.00 N ATOM 38 CA SER A 5 -14.860 -11.903 -0.417 1.00 0.00 C ATOM 39 C SER A 5 -14.878 -10.471 0.107 1.00 0.00 C ATOM 40 O SER A 5 -15.941 -9.894 0.334 1.00 0.00 O ATOM 41 CB SER A 5 -14.338 -11.927 -1.855 1.00 0.00 C ATOM 42 OG SER A 5 -12.979 -11.528 -1.910 1.00 0.00 O ATOM 0 H SER A 5 -16.893 -12.020 -0.918 1.00 0.00 H new ATOM 0 HA SER A 5 -14.194 -12.493 0.213 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.443 -12.931 -2.267 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.941 -11.264 -2.475 1.00 0.00 H new ATOM 0 HG SER A 5 -12.668 -11.553 -2.839 1.00 0.00 H new ATOM 48 N SER A 6 -13.691 -9.902 0.296 1.00 0.00 N ATOM 49 CA SER A 6 -13.568 -8.538 0.797 1.00 0.00 C ATOM 50 C SER A 6 -12.461 -7.787 0.063 1.00 0.00 C ATOM 51 O SER A 6 -11.610 -8.393 -0.586 1.00 0.00 O ATOM 52 CB SER A 6 -13.284 -8.547 2.300 1.00 0.00 C ATOM 53 OG SER A 6 -14.476 -8.731 3.044 1.00 0.00 O ATOM 0 H SER A 6 -12.801 -10.365 0.110 1.00 0.00 H new ATOM 0 HA SER A 6 -14.513 -8.025 0.616 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.578 -9.344 2.535 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.812 -7.608 2.590 1.00 0.00 H new ATOM 0 HG SER A 6 -14.267 -8.735 4.001 1.00 0.00 H new ATOM 59 N GLY A 7 -12.481 -6.462 0.170 1.00 0.00 N ATOM 60 CA GLY A 7 -11.475 -5.649 -0.488 1.00 0.00 C ATOM 61 C GLY A 7 -10.082 -5.899 0.055 1.00 0.00 C ATOM 62 O GLY A 7 -9.777 -5.535 1.190 1.00 0.00 O ATOM 0 H GLY A 7 -13.176 -5.937 0.701 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.487 -5.857 -1.558 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.726 -4.595 -0.365 1.00 0.00 H new ATOM 66 N ASN A 8 -9.235 -6.522 -0.757 1.00 0.00 N ATOM 67 CA ASN A 8 -7.867 -6.822 -0.351 1.00 0.00 C ATOM 68 C ASN A 8 -7.235 -5.626 0.356 1.00 0.00 C ATOM 69 O ASN A 8 -6.461 -5.787 1.299 1.00 0.00 O ATOM 70 CB ASN A 8 -7.025 -7.213 -1.568 1.00 0.00 C ATOM 71 CG ASN A 8 -7.286 -6.317 -2.763 1.00 0.00 C ATOM 72 OD1 ASN A 8 -7.855 -5.233 -2.628 1.00 0.00 O ATOM 73 ND2 ASN A 8 -6.870 -6.766 -3.941 1.00 0.00 N ATOM 0 H ASN A 8 -9.472 -6.829 -1.700 1.00 0.00 H new ATOM 0 HA ASN A 8 -7.897 -7.660 0.346 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -5.968 -7.166 -1.306 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -7.240 -8.247 -1.838 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -7.017 -6.207 -4.781 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -6.403 -7.670 -4.006 1.00 0.00 H new ATOM 80 N VAL A 9 -7.570 -4.427 -0.108 1.00 0.00 N ATOM 81 CA VAL A 9 -7.037 -3.204 0.480 1.00 0.00 C ATOM 82 C VAL A 9 -7.891 -2.742 1.655 1.00 0.00 C ATOM 83 O VAL A 9 -9.114 -2.646 1.548 1.00 0.00 O ATOM 84 CB VAL A 9 -6.958 -2.070 -0.560 1.00 0.00 C ATOM 85 CG1 VAL A 9 -6.468 -0.784 0.089 1.00 0.00 C ATOM 86 CG2 VAL A 9 -6.056 -2.470 -1.717 1.00 0.00 C ATOM 0 H VAL A 9 -8.208 -4.276 -0.889 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.032 -3.434 0.833 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.958 -1.892 -0.954 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.418 0.006 -0.661 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -7.157 -0.490 0.881 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.477 -0.945 0.512 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.012 -1.657 -2.442 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.054 -2.677 -1.342 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.455 -3.363 -2.197 1.00 0.00 H new ATOM 96 N ARG A 10 -7.238 -2.457 2.778 1.00 0.00 N ATOM 97 CA ARG A 10 -7.938 -2.005 3.975 1.00 0.00 C ATOM 98 C ARG A 10 -7.883 -0.485 4.095 1.00 0.00 C ATOM 99 O ARG A 10 -6.861 0.135 3.803 1.00 0.00 O ATOM 100 CB ARG A 10 -7.327 -2.649 5.221 1.00 0.00 C ATOM 101 CG ARG A 10 -7.684 -4.117 5.385 1.00 0.00 C ATOM 102 CD ARG A 10 -8.958 -4.294 6.197 1.00 0.00 C ATOM 103 NE ARG A 10 -10.156 -4.139 5.376 1.00 0.00 N ATOM 104 CZ ARG A 10 -11.384 -4.059 5.876 1.00 0.00 C ATOM 105 NH1 ARG A 10 -11.575 -4.118 7.187 1.00 0.00 N ATOM 106 NH2 ARG A 10 -12.424 -3.919 5.064 1.00 0.00 N ATOM 0 H ARG A 10 -6.226 -2.531 2.884 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.982 -2.308 3.892 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -6.242 -2.550 5.176 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -7.660 -2.102 6.103 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -7.811 -4.573 4.403 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.863 -4.639 5.876 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -8.960 -5.282 6.658 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -8.976 -3.564 7.007 1.00 0.00 H new ATOM 0 HE ARG A 10 -10.044 -4.089 4.363 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.778 -4.225 7.814 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -12.519 -4.056 7.568 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -12.281 -3.873 4.055 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -13.367 -3.858 5.449 1.00 0.00 H new ATOM 120 N VAL A 11 -8.991 0.109 4.527 1.00 0.00 N ATOM 121 CA VAL A 11 -9.070 1.556 4.687 1.00 0.00 C ATOM 122 C VAL A 11 -8.778 1.967 6.126 1.00 0.00 C ATOM 123 O VAL A 11 -9.634 1.847 7.003 1.00 0.00 O ATOM 124 CB VAL A 11 -10.457 2.091 4.284 1.00 0.00 C ATOM 125 CG1 VAL A 11 -10.551 3.586 4.550 1.00 0.00 C ATOM 126 CG2 VAL A 11 -10.742 1.782 2.822 1.00 0.00 C ATOM 0 H VAL A 11 -9.846 -0.390 4.772 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.317 1.988 4.028 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.211 1.591 4.891 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.538 3.946 4.259 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -10.393 3.777 5.611 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.789 4.107 3.970 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.726 2.167 2.554 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.985 2.254 2.196 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.720 0.703 2.667 1.00 0.00 H new ATOM 136 N ILE A 12 -7.563 2.451 6.363 1.00 0.00 N ATOM 137 CA ILE A 12 -7.159 2.881 7.695 1.00 0.00 C ATOM 138 C ILE A 12 -7.683 4.279 8.005 1.00 0.00 C ATOM 139 O ILE A 12 -7.714 5.150 7.135 1.00 0.00 O ATOM 140 CB ILE A 12 -5.626 2.875 7.848 1.00 0.00 C ATOM 141 CG1 ILE A 12 -5.070 1.477 7.569 1.00 0.00 C ATOM 142 CG2 ILE A 12 -5.231 3.340 9.242 1.00 0.00 C ATOM 143 CD1 ILE A 12 -5.644 0.407 8.472 1.00 0.00 C ATOM 0 H ILE A 12 -6.842 2.555 5.649 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.590 2.170 8.399 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.200 3.567 7.121 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.275 1.214 6.531 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.986 1.496 7.685 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.145 3.330 9.335 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.600 4.352 9.406 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.665 2.671 9.985 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.205 -0.558 8.218 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.416 0.647 9.511 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.725 0.360 8.339 1.00 0.00 H new ATOM 155 N THR A 13 -8.095 4.488 9.252 1.00 0.00 N ATOM 156 CA THR A 13 -8.618 5.781 9.677 1.00 0.00 C ATOM 157 C THR A 13 -7.817 6.339 10.848 1.00 0.00 C ATOM 158 O THR A 13 -6.823 5.748 11.271 1.00 0.00 O ATOM 159 CB THR A 13 -10.100 5.680 10.084 1.00 0.00 C ATOM 160 OG1 THR A 13 -10.306 4.523 10.902 1.00 0.00 O ATOM 161 CG2 THR A 13 -10.994 5.606 8.856 1.00 0.00 C ATOM 0 H THR A 13 -8.077 3.779 9.985 1.00 0.00 H new ATOM 0 HA THR A 13 -8.528 6.455 8.825 1.00 0.00 H new ATOM 0 HB THR A 13 -10.361 6.574 10.650 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.250 4.467 11.158 1.00 0.00 H new ATOM 0 HG21 THR A 13 -12.036 5.535 9.168 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.856 6.502 8.251 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.731 4.727 8.267 1.00 0.00 H new ATOM 169 N ASP A 14 -8.258 7.479 11.370 1.00 0.00 N ATOM 170 CA ASP A 14 -7.583 8.116 12.495 1.00 0.00 C ATOM 171 C ASP A 14 -7.773 7.305 13.773 1.00 0.00 C ATOM 172 O ASP A 14 -7.226 7.645 14.821 1.00 0.00 O ATOM 173 CB ASP A 14 -8.110 9.538 12.694 1.00 0.00 C ATOM 174 CG ASP A 14 -7.959 10.391 11.450 1.00 0.00 C ATOM 175 OD1 ASP A 14 -6.879 10.342 10.825 1.00 0.00 O ATOM 176 OD2 ASP A 14 -8.921 11.108 11.102 1.00 0.00 O ATOM 0 H ASP A 14 -9.079 7.980 11.032 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.517 8.160 12.270 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -9.162 9.496 12.977 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.576 10.008 13.520 1.00 0.00 H new ATOM 181 N GLU A 15 -8.554 6.234 13.677 1.00 0.00 N ATOM 182 CA GLU A 15 -8.818 5.376 14.827 1.00 0.00 C ATOM 183 C GLU A 15 -8.379 3.942 14.548 1.00 0.00 C ATOM 184 O GLU A 15 -7.859 3.259 15.429 1.00 0.00 O ATOM 185 CB GLU A 15 -10.306 5.406 15.182 1.00 0.00 C ATOM 186 CG GLU A 15 -10.721 6.641 15.963 1.00 0.00 C ATOM 187 CD GLU A 15 -12.182 6.613 16.367 1.00 0.00 C ATOM 188 OE1 GLU A 15 -12.700 5.511 16.646 1.00 0.00 O ATOM 189 OE2 GLU A 15 -12.808 7.693 16.405 1.00 0.00 O ATOM 0 H GLU A 15 -9.015 5.940 12.816 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.243 5.756 15.671 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.891 5.354 14.264 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.549 4.518 15.766 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.103 6.726 16.857 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.532 7.529 15.359 1.00 0.00 H new ATOM 196 N ASN A 16 -8.593 3.493 13.316 1.00 0.00 N ATOM 197 CA ASN A 16 -8.220 2.139 12.920 1.00 0.00 C ATOM 198 C ASN A 16 -6.704 1.975 12.903 1.00 0.00 C ATOM 199 O ASN A 16 -6.188 0.864 13.020 1.00 0.00 O ATOM 200 CB ASN A 16 -8.796 1.812 11.541 1.00 0.00 C ATOM 201 CG ASN A 16 -9.129 0.341 11.388 1.00 0.00 C ATOM 202 OD1 ASN A 16 -9.589 -0.305 12.330 1.00 0.00 O ATOM 203 ND2 ASN A 16 -8.898 -0.197 10.196 1.00 0.00 N ATOM 0 H ASN A 16 -9.023 4.046 12.574 1.00 0.00 H new ATOM 0 HA ASN A 16 -8.634 1.446 13.653 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -9.696 2.405 11.376 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -8.079 2.101 10.773 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -9.103 -1.183 10.033 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -8.516 0.376 9.443 1.00 0.00 H new ATOM 210 N TRP A 17 -5.996 3.089 12.757 1.00 0.00 N ATOM 211 CA TRP A 17 -4.538 3.069 12.725 1.00 0.00 C ATOM 212 C TRP A 17 -3.985 2.063 13.728 1.00 0.00 C ATOM 213 O TRP A 17 -3.091 1.280 13.407 1.00 0.00 O ATOM 214 CB TRP A 17 -3.982 4.463 13.024 1.00 0.00 C ATOM 215 CG TRP A 17 -3.960 4.793 14.485 1.00 0.00 C ATOM 216 CD1 TRP A 17 -4.839 5.592 15.158 1.00 0.00 C ATOM 217 CD2 TRP A 17 -3.010 4.335 15.453 1.00 0.00 C ATOM 218 NE1 TRP A 17 -4.493 5.658 16.486 1.00 0.00 N ATOM 219 CE2 TRP A 17 -3.375 4.895 16.693 1.00 0.00 C ATOM 220 CE3 TRP A 17 -1.887 3.504 15.394 1.00 0.00 C ATOM 221 CZ2 TRP A 17 -2.656 4.651 17.860 1.00 0.00 C ATOM 222 CZ3 TRP A 17 -1.175 3.263 16.553 1.00 0.00 C ATOM 223 CH2 TRP A 17 -1.562 3.834 17.773 1.00 0.00 C ATOM 0 H TRP A 17 -6.407 4.017 12.659 1.00 0.00 H new ATOM 0 HA TRP A 17 -4.226 2.767 11.725 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -2.969 4.535 12.627 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -4.583 5.206 12.500 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -5.683 6.098 14.712 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -4.989 6.189 17.202 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -1.582 3.058 14.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -2.951 5.091 18.801 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -0.305 2.624 16.518 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -0.985 3.625 18.662 1.00 0.00 H new ATOM 234 N ARG A 18 -4.523 2.088 14.943 1.00 0.00 N ATOM 235 CA ARG A 18 -4.082 1.178 15.993 1.00 0.00 C ATOM 236 C ARG A 18 -3.870 -0.229 15.440 1.00 0.00 C ATOM 237 O ARG A 18 -2.799 -0.813 15.599 1.00 0.00 O ATOM 238 CB ARG A 18 -5.105 1.141 17.129 1.00 0.00 C ATOM 239 CG ARG A 18 -5.383 2.504 17.743 1.00 0.00 C ATOM 240 CD ARG A 18 -6.058 2.377 19.099 1.00 0.00 C ATOM 241 NE ARG A 18 -6.473 3.674 19.628 1.00 0.00 N ATOM 242 CZ ARG A 18 -5.655 4.504 20.265 1.00 0.00 C ATOM 243 NH1 ARG A 18 -4.385 4.173 20.453 1.00 0.00 N ATOM 244 NH2 ARG A 18 -6.107 5.667 20.717 1.00 0.00 N ATOM 0 H ARG A 18 -5.265 2.729 15.224 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.132 1.545 16.381 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.039 0.724 16.752 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.747 0.467 17.907 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.448 3.053 17.851 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.017 3.084 17.072 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.928 1.726 19.011 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.374 1.901 19.801 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.444 3.958 19.501 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.034 3.279 20.108 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.759 4.812 20.942 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.084 5.924 20.575 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.478 6.303 21.206 1.00 0.00 H new ATOM 258 N GLU A 19 -4.899 -0.765 14.790 1.00 0.00 N ATOM 259 CA GLU A 19 -4.825 -2.102 14.215 1.00 0.00 C ATOM 260 C GLU A 19 -3.456 -2.350 13.588 1.00 0.00 C ATOM 261 O GLU A 19 -2.929 -3.462 13.640 1.00 0.00 O ATOM 262 CB GLU A 19 -5.921 -2.291 13.164 1.00 0.00 C ATOM 263 CG GLU A 19 -7.315 -2.427 13.756 1.00 0.00 C ATOM 264 CD GLU A 19 -7.548 -1.487 14.922 1.00 0.00 C ATOM 265 OE1 GLU A 19 -6.968 -1.727 16.002 1.00 0.00 O ATOM 266 OE2 GLU A 19 -8.309 -0.511 14.755 1.00 0.00 O ATOM 0 H GLU A 19 -5.793 -0.294 14.649 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.974 -2.823 15.018 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.907 -1.442 12.480 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.698 -3.180 12.574 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.056 -2.229 12.981 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.467 -3.455 14.087 1.00 0.00 H new ATOM 273 N LEU A 20 -2.886 -1.307 12.995 1.00 0.00 N ATOM 274 CA LEU A 20 -1.579 -1.410 12.356 1.00 0.00 C ATOM 275 C LEU A 20 -0.542 -1.971 13.325 1.00 0.00 C ATOM 276 O LEU A 20 0.227 -2.867 12.978 1.00 0.00 O ATOM 277 CB LEU A 20 -1.129 -0.040 11.847 1.00 0.00 C ATOM 278 CG LEU A 20 -2.037 0.622 10.810 1.00 0.00 C ATOM 279 CD1 LEU A 20 -1.719 2.105 10.691 1.00 0.00 C ATOM 280 CD2 LEU A 20 -1.896 -0.066 9.460 1.00 0.00 C ATOM 0 H LEU A 20 -3.309 -0.380 12.943 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.668 -2.093 11.511 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.037 0.631 12.701 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.134 -0.144 11.415 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.070 0.518 11.141 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.375 2.559 9.948 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.873 2.589 11.656 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.681 2.231 10.383 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.550 0.419 8.735 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.862 0.005 9.122 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.175 -1.115 9.556 1.00 0.00 H new ATOM 292 N LEU A 21 -0.530 -1.439 14.542 1.00 0.00 N ATOM 293 CA LEU A 21 0.411 -1.887 15.564 1.00 0.00 C ATOM 294 C LEU A 21 0.409 -3.408 15.675 1.00 0.00 C ATOM 295 O LEU A 21 1.353 -4.003 16.193 1.00 0.00 O ATOM 296 CB LEU A 21 0.060 -1.265 16.916 1.00 0.00 C ATOM 297 CG LEU A 21 -0.022 0.262 16.951 1.00 0.00 C ATOM 298 CD1 LEU A 21 -0.510 0.739 18.310 1.00 0.00 C ATOM 299 CD2 LEU A 21 1.331 0.877 16.623 1.00 0.00 C ATOM 0 H LEU A 21 -1.161 -0.697 14.846 1.00 0.00 H new ATOM 0 HA LEU A 21 1.410 -1.563 15.271 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.899 -1.668 17.241 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.804 -1.586 17.645 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.738 0.585 16.196 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.562 1.828 18.316 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.500 0.327 18.506 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.182 0.404 19.083 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.253 1.964 16.653 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.068 0.546 17.354 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.642 0.562 15.627 1.00 0.00 H new ATOM 311 N GLU A 22 -0.658 -4.031 15.184 1.00 0.00 N ATOM 312 CA GLU A 22 -0.781 -5.484 15.228 1.00 0.00 C ATOM 313 C GLU A 22 -0.247 -6.114 13.945 1.00 0.00 C ATOM 314 O GLU A 22 -0.650 -5.742 12.843 1.00 0.00 O ATOM 315 CB GLU A 22 -2.242 -5.888 15.438 1.00 0.00 C ATOM 316 CG GLU A 22 -2.891 -5.222 16.640 1.00 0.00 C ATOM 317 CD GLU A 22 -4.370 -5.538 16.754 1.00 0.00 C ATOM 318 OE1 GLU A 22 -4.780 -6.628 16.303 1.00 0.00 O ATOM 319 OE2 GLU A 22 -5.116 -4.695 17.294 1.00 0.00 O ATOM 0 H GLU A 22 -1.449 -3.553 14.752 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.187 -5.848 16.066 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.812 -5.638 14.543 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.297 -6.970 15.559 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.383 -5.546 17.548 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.758 -4.142 16.568 1.00 0.00 H new ATOM 326 N GLY A 23 0.664 -7.071 14.097 1.00 0.00 N ATOM 327 CA GLY A 23 1.239 -7.737 12.943 1.00 0.00 C ATOM 328 C GLY A 23 1.745 -6.760 11.901 1.00 0.00 C ATOM 329 O GLY A 23 1.770 -5.551 12.135 1.00 0.00 O ATOM 0 H GLY A 23 1.014 -7.397 14.998 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.061 -8.375 13.268 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.490 -8.388 12.492 1.00 0.00 H new ATOM 333 N ASP A 24 2.150 -7.282 10.749 1.00 0.00 N ATOM 334 CA ASP A 24 2.659 -6.447 9.668 1.00 0.00 C ATOM 335 C ASP A 24 1.521 -5.709 8.970 1.00 0.00 C ATOM 336 O ASP A 24 0.402 -6.214 8.884 1.00 0.00 O ATOM 337 CB ASP A 24 3.428 -7.298 8.656 1.00 0.00 C ATOM 338 CG ASP A 24 4.719 -7.852 9.227 1.00 0.00 C ATOM 339 OD1 ASP A 24 4.667 -8.496 10.296 1.00 0.00 O ATOM 340 OD2 ASP A 24 5.780 -7.642 8.604 1.00 0.00 O ATOM 0 H ASP A 24 2.136 -8.280 10.540 1.00 0.00 H new ATOM 0 HA ASP A 24 3.336 -5.710 10.099 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.797 -8.123 8.326 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.652 -6.696 7.776 1.00 0.00 H new ATOM 345 N TRP A 25 1.815 -4.512 8.474 1.00 0.00 N ATOM 346 CA TRP A 25 0.816 -3.704 7.785 1.00 0.00 C ATOM 347 C TRP A 25 1.469 -2.803 6.743 1.00 0.00 C ATOM 348 O TRP A 25 2.345 -2.001 7.065 1.00 0.00 O ATOM 349 CB TRP A 25 0.032 -2.858 8.790 1.00 0.00 C ATOM 350 CG TRP A 25 -1.052 -3.621 9.491 1.00 0.00 C ATOM 351 CD1 TRP A 25 -0.905 -4.457 10.561 1.00 0.00 C ATOM 352 CD2 TRP A 25 -2.447 -3.618 9.169 1.00 0.00 C ATOM 353 NE1 TRP A 25 -2.125 -4.974 10.924 1.00 0.00 N ATOM 354 CE2 TRP A 25 -3.087 -4.474 10.086 1.00 0.00 C ATOM 355 CE3 TRP A 25 -3.217 -2.974 8.198 1.00 0.00 C ATOM 356 CZ2 TRP A 25 -4.461 -4.702 10.057 1.00 0.00 C ATOM 357 CZ3 TRP A 25 -4.580 -3.201 8.170 1.00 0.00 C ATOM 358 CH2 TRP A 25 -5.191 -4.059 9.095 1.00 0.00 C ATOM 0 H TRP A 25 2.737 -4.080 8.536 1.00 0.00 H new ATOM 0 HA TRP A 25 0.128 -4.379 7.275 1.00 0.00 H new ATOM 0 HB2 TRP A 25 0.722 -2.456 9.532 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -0.410 -2.007 8.271 1.00 0.00 H new ATOM 0 HD1 TRP A 25 0.032 -4.679 11.050 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -2.288 -5.624 11.693 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -2.756 -2.310 7.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -4.933 -5.363 10.769 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -5.185 -2.709 7.423 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -6.259 -4.215 9.047 1.00 0.00 H new ATOM 369 N MET A 26 1.036 -2.939 5.494 1.00 0.00 N ATOM 370 CA MET A 26 1.579 -2.135 4.405 1.00 0.00 C ATOM 371 C MET A 26 0.689 -0.929 4.124 1.00 0.00 C ATOM 372 O MET A 26 -0.443 -1.077 3.662 1.00 0.00 O ATOM 373 CB MET A 26 1.726 -2.983 3.140 1.00 0.00 C ATOM 374 CG MET A 26 3.009 -3.796 3.099 1.00 0.00 C ATOM 375 SD MET A 26 4.481 -2.764 2.958 1.00 0.00 S ATOM 376 CE MET A 26 4.650 -2.655 1.179 1.00 0.00 C ATOM 0 H MET A 26 0.311 -3.598 5.211 1.00 0.00 H new ATOM 0 HA MET A 26 2.562 -1.775 4.707 1.00 0.00 H new ATOM 0 HB2 MET A 26 0.874 -3.659 3.065 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.692 -2.329 2.268 1.00 0.00 H new ATOM 0 HG2 MET A 26 3.080 -4.402 4.002 1.00 0.00 H new ATOM 0 HG3 MET A 26 2.971 -4.485 2.255 1.00 0.00 H new ATOM 0 HE1 MET A 26 5.392 -1.896 0.930 1.00 0.00 H new ATOM 0 HE2 MET A 26 4.970 -3.619 0.784 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.691 -2.383 0.738 1.00 0.00 H new ATOM 386 N ILE A 27 1.206 0.262 4.405 1.00 0.00 N ATOM 387 CA ILE A 27 0.457 1.492 4.180 1.00 0.00 C ATOM 388 C ILE A 27 0.985 2.243 2.963 1.00 0.00 C ATOM 389 O ILE A 27 2.151 2.104 2.594 1.00 0.00 O ATOM 390 CB ILE A 27 0.518 2.420 5.408 1.00 0.00 C ATOM 391 CG1 ILE A 27 0.183 1.640 6.681 1.00 0.00 C ATOM 392 CG2 ILE A 27 -0.435 3.593 5.233 1.00 0.00 C ATOM 393 CD1 ILE A 27 0.611 2.343 7.950 1.00 0.00 C ATOM 0 H ILE A 27 2.141 0.401 4.789 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.579 1.203 4.004 1.00 0.00 H new ATOM 0 HB ILE A 27 1.531 2.811 5.500 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.892 1.464 6.717 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.664 0.663 6.636 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.381 4.240 6.109 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.155 4.160 4.345 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.453 3.221 5.120 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.342 1.733 8.812 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.690 2.495 7.935 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.110 3.308 8.018 1.00 0.00 H new ATOM 405 N GLU A 28 0.120 3.039 2.344 1.00 0.00 N ATOM 406 CA GLU A 28 0.500 3.813 1.168 1.00 0.00 C ATOM 407 C GLU A 28 -0.189 5.175 1.167 1.00 0.00 C ATOM 408 O GLU A 28 -1.395 5.273 0.940 1.00 0.00 O ATOM 409 CB GLU A 28 0.146 3.049 -0.109 1.00 0.00 C ATOM 410 CG GLU A 28 -1.279 2.523 -0.128 1.00 0.00 C ATOM 411 CD GLU A 28 -1.836 2.397 -1.533 1.00 0.00 C ATOM 412 OE1 GLU A 28 -1.031 2.300 -2.483 1.00 0.00 O ATOM 413 OE2 GLU A 28 -3.076 2.396 -1.683 1.00 0.00 O ATOM 0 H GLU A 28 -0.849 3.165 2.637 1.00 0.00 H new ATOM 0 HA GLU A 28 1.578 3.971 1.201 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.294 3.704 -0.967 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.835 2.212 -0.225 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.309 1.549 0.359 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.916 3.190 0.453 1.00 0.00 H new ATOM 420 N PHE A 29 0.587 6.224 1.422 1.00 0.00 N ATOM 421 CA PHE A 29 0.052 7.580 1.452 1.00 0.00 C ATOM 422 C PHE A 29 -0.108 8.133 0.039 1.00 0.00 C ATOM 423 O PHE A 29 0.877 8.365 -0.664 1.00 0.00 O ATOM 424 CB PHE A 29 0.968 8.494 2.269 1.00 0.00 C ATOM 425 CG PHE A 29 0.909 8.236 3.747 1.00 0.00 C ATOM 426 CD1 PHE A 29 -0.064 8.838 4.530 1.00 0.00 C ATOM 427 CD2 PHE A 29 1.824 7.392 4.354 1.00 0.00 C ATOM 428 CE1 PHE A 29 -0.120 8.603 5.891 1.00 0.00 C ATOM 429 CE2 PHE A 29 1.772 7.153 5.715 1.00 0.00 C ATOM 430 CZ PHE A 29 0.798 7.758 6.484 1.00 0.00 C ATOM 0 H PHE A 29 1.587 6.161 1.611 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.930 7.546 1.923 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.995 8.366 1.927 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.696 9.532 2.078 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.786 9.498 4.072 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.587 6.915 3.757 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.881 9.080 6.491 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.493 6.494 6.176 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.754 7.571 7.547 1.00 0.00 H new ATOM 440 N TYR A 30 -1.354 8.342 -0.371 1.00 0.00 N ATOM 441 CA TYR A 30 -1.644 8.865 -1.701 1.00 0.00 C ATOM 442 C TYR A 30 -2.400 10.187 -1.613 1.00 0.00 C ATOM 443 O TYR A 30 -2.851 10.587 -0.540 1.00 0.00 O ATOM 444 CB TYR A 30 -2.460 7.850 -2.504 1.00 0.00 C ATOM 445 CG TYR A 30 -3.921 7.807 -2.119 1.00 0.00 C ATOM 446 CD1 TYR A 30 -4.798 8.803 -2.532 1.00 0.00 C ATOM 447 CD2 TYR A 30 -4.426 6.771 -1.343 1.00 0.00 C ATOM 448 CE1 TYR A 30 -6.134 8.769 -2.182 1.00 0.00 C ATOM 449 CE2 TYR A 30 -5.761 6.727 -0.990 1.00 0.00 C ATOM 450 CZ TYR A 30 -6.610 7.729 -1.411 1.00 0.00 C ATOM 451 OH TYR A 30 -7.941 7.690 -1.062 1.00 0.00 O ATOM 0 H TYR A 30 -2.180 8.157 0.199 1.00 0.00 H new ATOM 0 HA TYR A 30 -0.696 9.042 -2.209 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -2.379 8.089 -3.564 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.028 6.859 -2.367 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.429 9.618 -3.137 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -3.763 5.986 -1.010 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -6.802 9.552 -2.510 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -6.137 5.913 -0.388 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.114 6.893 -0.519 1.00 0.00 H new ATOM 461 N ALA A 31 -2.536 10.860 -2.751 1.00 0.00 N ATOM 462 CA ALA A 31 -3.240 12.135 -2.805 1.00 0.00 C ATOM 463 C ALA A 31 -4.018 12.278 -4.109 1.00 0.00 C ATOM 464 O ALA A 31 -3.538 11.929 -5.188 1.00 0.00 O ATOM 465 CB ALA A 31 -2.258 13.286 -2.645 1.00 0.00 C ATOM 0 H ALA A 31 -2.168 10.543 -3.648 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.954 12.163 -1.982 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.797 14.233 -2.687 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.750 13.200 -1.684 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.522 13.251 -3.449 1.00 0.00 H new ATOM 471 N PRO A 32 -5.249 12.802 -4.010 1.00 0.00 N ATOM 472 CA PRO A 32 -6.119 13.002 -5.172 1.00 0.00 C ATOM 473 C PRO A 32 -5.615 14.110 -6.090 1.00 0.00 C ATOM 474 O PRO A 32 -5.960 14.156 -7.271 1.00 0.00 O ATOM 475 CB PRO A 32 -7.460 13.394 -4.547 1.00 0.00 C ATOM 476 CG PRO A 32 -7.105 13.982 -3.225 1.00 0.00 C ATOM 477 CD PRO A 32 -5.885 13.239 -2.756 1.00 0.00 C ATOM 0 HA PRO A 32 -6.170 12.113 -5.801 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -7.992 14.113 -5.170 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.112 12.528 -4.433 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.902 15.049 -3.314 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -7.926 13.872 -2.516 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.224 13.880 -2.172 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.149 12.392 -2.123 1.00 0.00 H new ATOM 485 N TRP A 33 -4.797 15.001 -5.540 1.00 0.00 N ATOM 486 CA TRP A 33 -4.245 16.109 -6.311 1.00 0.00 C ATOM 487 C TRP A 33 -2.800 15.829 -6.709 1.00 0.00 C ATOM 488 O TRP A 33 -2.016 16.754 -6.928 1.00 0.00 O ATOM 489 CB TRP A 33 -4.323 17.406 -5.505 1.00 0.00 C ATOM 490 CG TRP A 33 -4.245 17.191 -4.023 1.00 0.00 C ATOM 491 CD1 TRP A 33 -5.246 17.378 -3.114 1.00 0.00 C ATOM 492 CD2 TRP A 33 -3.103 16.749 -3.281 1.00 0.00 C ATOM 493 NE1 TRP A 33 -4.796 17.079 -1.851 1.00 0.00 N ATOM 494 CE2 TRP A 33 -3.485 16.690 -1.926 1.00 0.00 C ATOM 495 CE3 TRP A 33 -1.797 16.395 -3.628 1.00 0.00 C ATOM 496 CZ2 TRP A 33 -2.606 16.293 -0.922 1.00 0.00 C ATOM 497 CZ3 TRP A 33 -0.925 16.002 -2.630 1.00 0.00 C ATOM 498 CH2 TRP A 33 -1.333 15.952 -1.291 1.00 0.00 C ATOM 0 H TRP A 33 -4.502 14.978 -4.564 1.00 0.00 H new ATOM 0 HA TRP A 33 -4.837 16.218 -7.220 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -3.511 18.066 -5.812 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -5.256 17.917 -5.742 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -6.245 17.712 -3.353 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -5.349 17.137 -0.996 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -1.474 16.428 -4.658 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -2.918 16.255 0.111 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 0.088 15.729 -2.887 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -0.629 15.638 -0.535 1.00 0.00 H new ATOM 509 N CYS A 34 -2.454 14.550 -6.801 1.00 0.00 N ATOM 510 CA CYS A 34 -1.101 14.149 -7.172 1.00 0.00 C ATOM 511 C CYS A 34 -1.131 13.074 -8.254 1.00 0.00 C ATOM 512 O CYS A 34 -1.795 12.046 -8.125 1.00 0.00 O ATOM 513 CB CYS A 34 -0.345 13.635 -5.947 1.00 0.00 C ATOM 514 SG CYS A 34 1.323 13.036 -6.306 1.00 0.00 S ATOM 0 H CYS A 34 -3.091 13.773 -6.624 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.585 15.024 -7.568 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.281 14.436 -5.210 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.919 12.828 -5.491 1.00 0.00 H new ATOM 0 HG CYS A 34 1.496 11.875 -5.748 1.00 0.00 H new ATOM 520 N PRO A 35 -0.395 13.317 -9.350 1.00 0.00 N ATOM 521 CA PRO A 35 -0.322 12.382 -10.476 1.00 0.00 C ATOM 522 C PRO A 35 0.443 11.110 -10.125 1.00 0.00 C ATOM 523 O PRO A 35 -0.043 10.001 -10.349 1.00 0.00 O ATOM 524 CB PRO A 35 0.428 13.177 -11.549 1.00 0.00 C ATOM 525 CG PRO A 35 1.234 14.172 -10.788 1.00 0.00 C ATOM 526 CD PRO A 35 0.421 14.522 -9.572 1.00 0.00 C ATOM 0 HA PRO A 35 -1.310 12.043 -10.789 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.065 12.528 -12.150 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.263 13.668 -12.234 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.201 13.756 -10.504 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.433 15.057 -11.392 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.056 14.741 -8.714 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -0.199 15.402 -9.743 1.00 0.00 H new ATOM 534 N ALA A 36 1.640 11.278 -9.574 1.00 0.00 N ATOM 535 CA ALA A 36 2.470 10.143 -9.190 1.00 0.00 C ATOM 536 C ALA A 36 1.666 9.117 -8.398 1.00 0.00 C ATOM 537 O ALA A 36 1.793 7.912 -8.617 1.00 0.00 O ATOM 538 CB ALA A 36 3.669 10.615 -8.381 1.00 0.00 C ATOM 0 H ALA A 36 2.057 12.189 -9.383 1.00 0.00 H new ATOM 0 HA ALA A 36 2.827 9.662 -10.101 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.280 9.757 -8.101 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.264 11.304 -8.981 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.323 11.123 -7.481 1.00 0.00 H new ATOM 544 N CYS A 37 0.839 9.603 -7.479 1.00 0.00 N ATOM 545 CA CYS A 37 0.015 8.728 -6.653 1.00 0.00 C ATOM 546 C CYS A 37 -0.971 7.942 -7.511 1.00 0.00 C ATOM 547 O CYS A 37 -1.147 6.738 -7.325 1.00 0.00 O ATOM 548 CB CYS A 37 -0.741 9.545 -5.604 1.00 0.00 C ATOM 549 SG CYS A 37 0.315 10.251 -4.317 1.00 0.00 S ATOM 0 H CYS A 37 0.721 10.598 -7.287 1.00 0.00 H new ATOM 0 HA CYS A 37 0.673 8.021 -6.147 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.276 10.353 -6.104 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -1.491 8.909 -5.135 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.207 11.362 -3.889 1.00 0.00 H new ATOM 555 N GLN A 38 -1.613 8.632 -8.448 1.00 0.00 N ATOM 556 CA GLN A 38 -2.583 7.998 -9.333 1.00 0.00 C ATOM 557 C GLN A 38 -1.979 6.778 -10.020 1.00 0.00 C ATOM 558 O GLN A 38 -2.669 5.792 -10.276 1.00 0.00 O ATOM 559 CB GLN A 38 -3.078 8.996 -10.381 1.00 0.00 C ATOM 560 CG GLN A 38 -3.790 10.200 -9.787 1.00 0.00 C ATOM 561 CD GLN A 38 -3.738 11.414 -10.693 1.00 0.00 C ATOM 562 OE1 GLN A 38 -3.369 11.315 -11.863 1.00 0.00 O ATOM 563 NE2 GLN A 38 -4.108 12.571 -10.155 1.00 0.00 N ATOM 0 H GLN A 38 -1.479 9.629 -8.614 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.428 7.669 -8.728 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.229 9.341 -10.971 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.755 8.485 -11.065 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.831 9.942 -9.591 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.337 10.448 -8.827 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.407 12.608 -9.181 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.093 13.422 -10.716 1.00 0.00 H new ATOM 572 N ASN A 39 -0.685 6.852 -10.315 1.00 0.00 N ATOM 573 CA ASN A 39 0.013 5.754 -10.974 1.00 0.00 C ATOM 574 C ASN A 39 0.135 4.551 -10.043 1.00 0.00 C ATOM 575 O ASN A 39 0.161 3.404 -10.492 1.00 0.00 O ATOM 576 CB ASN A 39 1.403 6.204 -11.428 1.00 0.00 C ATOM 577 CG ASN A 39 1.391 6.794 -12.825 1.00 0.00 C ATOM 578 OD1 ASN A 39 0.330 7.009 -13.411 1.00 0.00 O ATOM 579 ND2 ASN A 39 2.575 7.060 -13.365 1.00 0.00 N ATOM 0 H ASN A 39 -0.099 7.661 -10.108 1.00 0.00 H new ATOM 0 HA ASN A 39 -0.569 5.459 -11.847 1.00 0.00 H new ATOM 0 HB2 ASN A 39 1.789 6.944 -10.727 1.00 0.00 H new ATOM 0 HB3 ASN A 39 2.084 5.353 -11.401 1.00 0.00 H new ATOM 0 HD21 ASN A 39 2.630 7.459 -14.302 1.00 0.00 H new ATOM 0 HD22 ASN A 39 3.429 6.865 -12.843 1.00 0.00 H new ATOM 586 N LEU A 40 0.209 4.820 -8.744 1.00 0.00 N ATOM 587 CA LEU A 40 0.328 3.761 -7.748 1.00 0.00 C ATOM 588 C LEU A 40 -1.033 3.143 -7.445 1.00 0.00 C ATOM 589 O LEU A 40 -1.137 1.945 -7.182 1.00 0.00 O ATOM 590 CB LEU A 40 0.950 4.309 -6.463 1.00 0.00 C ATOM 591 CG LEU A 40 1.117 3.309 -5.318 1.00 0.00 C ATOM 592 CD1 LEU A 40 2.097 2.213 -5.706 1.00 0.00 C ATOM 593 CD2 LEU A 40 1.579 4.018 -4.054 1.00 0.00 C ATOM 0 H LEU A 40 0.189 5.763 -8.356 1.00 0.00 H new ATOM 0 HA LEU A 40 0.976 2.985 -8.155 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.930 4.721 -6.704 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.335 5.136 -6.109 1.00 0.00 H new ATOM 0 HG LEU A 40 0.149 2.849 -5.119 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.203 1.511 -4.879 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.724 1.686 -6.584 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.067 2.656 -5.933 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.692 3.291 -3.250 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.536 4.506 -4.240 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.840 4.766 -3.766 1.00 0.00 H new ATOM 605 N GLN A 41 -2.074 3.969 -7.486 1.00 0.00 N ATOM 606 CA GLN A 41 -3.429 3.503 -7.217 1.00 0.00 C ATOM 607 C GLN A 41 -3.617 2.068 -7.699 1.00 0.00 C ATOM 608 O GLN A 41 -3.985 1.174 -6.937 1.00 0.00 O ATOM 609 CB GLN A 41 -4.450 4.420 -7.893 1.00 0.00 C ATOM 610 CG GLN A 41 -4.909 5.572 -7.014 1.00 0.00 C ATOM 611 CD GLN A 41 -5.186 5.143 -5.587 1.00 0.00 C ATOM 612 OE1 GLN A 41 -4.158 5.183 -4.747 1.00 0.00 O flip ATOM 613 NE2 GLN A 41 -6.311 4.780 -5.242 1.00 0.00 N flip ATOM 0 H GLN A 41 -2.005 4.963 -7.703 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.588 3.528 -6.139 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -4.015 4.823 -8.807 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.318 3.830 -8.186 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.146 6.350 -7.014 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.812 6.011 -7.439 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.072 4.765 -5.921 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.481 4.495 -4.278 1.00 0.00 H new ATOM 622 N PRO A 42 -3.360 1.842 -8.996 1.00 0.00 N ATOM 623 CA PRO A 42 -3.494 0.517 -9.610 1.00 0.00 C ATOM 624 C PRO A 42 -2.425 -0.457 -9.126 1.00 0.00 C ATOM 625 O PRO A 42 -2.724 -1.601 -8.785 1.00 0.00 O ATOM 626 CB PRO A 42 -3.323 0.800 -11.104 1.00 0.00 C ATOM 627 CG PRO A 42 -2.515 2.050 -11.164 1.00 0.00 C ATOM 628 CD PRO A 42 -2.917 2.860 -9.963 1.00 0.00 C ATOM 0 HA PRO A 42 -4.443 0.045 -9.358 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -2.816 -0.023 -11.607 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.287 0.928 -11.595 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.448 1.827 -11.145 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.710 2.597 -12.087 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.083 3.445 -9.576 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.716 3.562 -10.201 1.00 0.00 H new ATOM 636 N GLU A 43 -1.179 0.005 -9.099 1.00 0.00 N ATOM 637 CA GLU A 43 -0.066 -0.828 -8.657 1.00 0.00 C ATOM 638 C GLU A 43 -0.361 -1.451 -7.296 1.00 0.00 C ATOM 639 O GLU A 43 -0.001 -2.600 -7.037 1.00 0.00 O ATOM 640 CB GLU A 43 1.220 -0.002 -8.584 1.00 0.00 C ATOM 641 CG GLU A 43 2.015 0.001 -9.879 1.00 0.00 C ATOM 642 CD GLU A 43 1.160 0.323 -11.089 1.00 0.00 C ATOM 643 OE1 GLU A 43 0.365 -0.546 -11.503 1.00 0.00 O ATOM 644 OE2 GLU A 43 1.285 1.446 -11.621 1.00 0.00 O ATOM 0 H GLU A 43 -0.915 0.950 -9.377 1.00 0.00 H new ATOM 0 HA GLU A 43 0.066 -1.630 -9.384 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.968 1.025 -8.320 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.848 -0.392 -7.783 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.821 0.731 -9.804 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.480 -0.975 -10.017 1.00 0.00 H new ATOM 651 N TRP A 44 -1.016 -0.686 -6.430 1.00 0.00 N ATOM 652 CA TRP A 44 -1.358 -1.163 -5.095 1.00 0.00 C ATOM 653 C TRP A 44 -2.348 -2.320 -5.168 1.00 0.00 C ATOM 654 O TRP A 44 -2.105 -3.391 -4.612 1.00 0.00 O ATOM 655 CB TRP A 44 -1.946 -0.024 -4.260 1.00 0.00 C ATOM 656 CG TRP A 44 -1.816 -0.243 -2.783 1.00 0.00 C ATOM 657 CD1 TRP A 44 -2.832 -0.314 -1.873 1.00 0.00 C ATOM 658 CD2 TRP A 44 -0.601 -0.416 -2.046 1.00 0.00 C ATOM 659 NE1 TRP A 44 -2.321 -0.521 -0.614 1.00 0.00 N ATOM 660 CE2 TRP A 44 -0.955 -0.589 -0.693 1.00 0.00 C ATOM 661 CE3 TRP A 44 0.751 -0.445 -2.397 1.00 0.00 C ATOM 662 CZ2 TRP A 44 -0.005 -0.785 0.305 1.00 0.00 C ATOM 663 CZ3 TRP A 44 1.693 -0.640 -1.405 1.00 0.00 C ATOM 664 CH2 TRP A 44 1.312 -0.809 -0.067 1.00 0.00 C ATOM 0 H TRP A 44 -1.321 0.267 -6.628 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.445 -1.520 -4.618 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.448 0.908 -4.527 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.000 0.095 -4.511 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -3.882 -0.221 -2.108 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -2.870 -0.610 0.241 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.055 -0.317 -3.426 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.297 -0.914 1.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.741 -0.663 -1.665 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.072 -0.961 0.685 1.00 0.00 H new ATOM 675 N GLU A 45 -3.463 -2.098 -5.856 1.00 0.00 N ATOM 676 CA GLU A 45 -4.489 -3.124 -6.000 1.00 0.00 C ATOM 677 C GLU A 45 -3.876 -4.447 -6.450 1.00 0.00 C ATOM 678 O GLU A 45 -4.198 -5.507 -5.913 1.00 0.00 O ATOM 679 CB GLU A 45 -5.554 -2.675 -7.003 1.00 0.00 C ATOM 680 CG GLU A 45 -6.577 -1.717 -6.417 1.00 0.00 C ATOM 681 CD GLU A 45 -7.866 -1.681 -7.214 1.00 0.00 C ATOM 682 OE1 GLU A 45 -7.822 -1.982 -8.426 1.00 0.00 O ATOM 683 OE2 GLU A 45 -8.918 -1.351 -6.628 1.00 0.00 O ATOM 0 H GLU A 45 -3.679 -1.217 -6.322 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.957 -3.273 -5.027 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.064 -2.196 -7.850 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.071 -3.554 -7.389 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.797 -2.010 -5.390 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.150 -0.715 -6.378 1.00 0.00 H new ATOM 690 N SER A 46 -2.991 -4.376 -7.439 1.00 0.00 N ATOM 691 CA SER A 46 -2.336 -5.568 -7.966 1.00 0.00 C ATOM 692 C SER A 46 -1.445 -6.211 -6.906 1.00 0.00 C ATOM 693 O SER A 46 -1.130 -7.398 -6.981 1.00 0.00 O ATOM 694 CB SER A 46 -1.506 -5.216 -9.201 1.00 0.00 C ATOM 695 OG SER A 46 -2.339 -4.933 -10.312 1.00 0.00 O ATOM 0 H SER A 46 -2.711 -3.506 -7.892 1.00 0.00 H new ATOM 0 HA SER A 46 -3.109 -6.283 -8.249 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.876 -4.353 -8.986 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.840 -6.044 -9.443 1.00 0.00 H new ATOM 0 HG SER A 46 -1.784 -4.709 -11.088 1.00 0.00 H new ATOM 701 N PHE A 47 -1.043 -5.416 -5.920 1.00 0.00 N ATOM 702 CA PHE A 47 -0.187 -5.906 -4.845 1.00 0.00 C ATOM 703 C PHE A 47 -1.013 -6.597 -3.765 1.00 0.00 C ATOM 704 O PHE A 47 -0.806 -7.773 -3.467 1.00 0.00 O ATOM 705 CB PHE A 47 0.610 -4.752 -4.234 1.00 0.00 C ATOM 706 CG PHE A 47 0.991 -4.980 -2.799 1.00 0.00 C ATOM 707 CD1 PHE A 47 1.268 -6.257 -2.337 1.00 0.00 C ATOM 708 CD2 PHE A 47 1.071 -3.918 -1.912 1.00 0.00 C ATOM 709 CE1 PHE A 47 1.619 -6.471 -1.017 1.00 0.00 C ATOM 710 CE2 PHE A 47 1.422 -4.126 -0.592 1.00 0.00 C ATOM 711 CZ PHE A 47 1.695 -5.404 -0.143 1.00 0.00 C ATOM 0 H PHE A 47 -1.296 -4.431 -5.843 1.00 0.00 H new ATOM 0 HA PHE A 47 0.506 -6.633 -5.268 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.515 -4.595 -4.821 1.00 0.00 H new ATOM 0 HB3 PHE A 47 0.021 -3.837 -4.304 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.209 -7.095 -3.016 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.857 -2.917 -2.256 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.833 -7.471 -0.670 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.483 -3.290 0.089 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.967 -5.568 0.889 1.00 0.00 H new ATOM 721 N ALA A 48 -1.950 -5.857 -3.180 1.00 0.00 N ATOM 722 CA ALA A 48 -2.808 -6.398 -2.134 1.00 0.00 C ATOM 723 C ALA A 48 -3.340 -7.775 -2.517 1.00 0.00 C ATOM 724 O ALA A 48 -3.642 -8.596 -1.652 1.00 0.00 O ATOM 725 CB ALA A 48 -3.961 -5.445 -1.852 1.00 0.00 C ATOM 0 H ALA A 48 -2.134 -4.881 -3.413 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.210 -6.507 -1.229 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.594 -5.862 -1.069 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.566 -4.483 -1.526 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.549 -5.307 -2.759 1.00 0.00 H new ATOM 731 N GLU A 49 -3.451 -8.020 -3.819 1.00 0.00 N ATOM 732 CA GLU A 49 -3.948 -9.298 -4.315 1.00 0.00 C ATOM 733 C GLU A 49 -3.202 -10.461 -3.666 1.00 0.00 C ATOM 734 O GLU A 49 -3.801 -11.292 -2.983 1.00 0.00 O ATOM 735 CB GLU A 49 -3.802 -9.371 -5.837 1.00 0.00 C ATOM 736 CG GLU A 49 -4.915 -8.661 -6.589 1.00 0.00 C ATOM 737 CD GLU A 49 -6.086 -9.573 -6.897 1.00 0.00 C ATOM 738 OE1 GLU A 49 -6.675 -10.126 -5.945 1.00 0.00 O ATOM 739 OE2 GLU A 49 -6.414 -9.735 -8.092 1.00 0.00 O ATOM 0 H GLU A 49 -3.204 -7.351 -4.548 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.003 -9.374 -4.054 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.845 -8.934 -6.123 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.779 -10.417 -6.142 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.265 -7.814 -5.998 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.519 -8.258 -7.521 1.00 0.00 H new ATOM 746 N TRP A 50 -1.893 -10.512 -3.884 1.00 0.00 N ATOM 747 CA TRP A 50 -1.066 -11.573 -3.321 1.00 0.00 C ATOM 748 C TRP A 50 -0.563 -11.192 -1.933 1.00 0.00 C ATOM 749 O TRP A 50 0.030 -12.010 -1.231 1.00 0.00 O ATOM 750 CB TRP A 50 0.119 -11.867 -4.243 1.00 0.00 C ATOM 751 CG TRP A 50 0.907 -10.645 -4.606 1.00 0.00 C ATOM 752 CD1 TRP A 50 0.952 -10.031 -5.825 1.00 0.00 C ATOM 753 CD2 TRP A 50 1.764 -9.890 -3.742 1.00 0.00 C ATOM 754 NE1 TRP A 50 1.786 -8.940 -5.771 1.00 0.00 N ATOM 755 CE2 TRP A 50 2.296 -8.831 -4.504 1.00 0.00 C ATOM 756 CE3 TRP A 50 2.132 -10.004 -2.399 1.00 0.00 C ATOM 757 CZ2 TRP A 50 3.176 -7.896 -3.967 1.00 0.00 C ATOM 758 CZ3 TRP A 50 3.006 -9.075 -1.867 1.00 0.00 C ATOM 759 CH2 TRP A 50 3.520 -8.032 -2.649 1.00 0.00 C ATOM 0 H TRP A 50 -1.382 -9.832 -4.446 1.00 0.00 H new ATOM 0 HA TRP A 50 -1.679 -12.470 -3.232 1.00 0.00 H new ATOM 0 HB2 TRP A 50 0.779 -12.585 -3.756 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -0.248 -12.338 -5.155 1.00 0.00 H new ATOM 0 HD1 TRP A 50 0.412 -10.355 -6.702 1.00 0.00 H new ATOM 0 HE1 TRP A 50 1.992 -8.313 -6.549 1.00 0.00 H new ATOM 0 HE3 TRP A 50 1.741 -10.804 -1.788 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 3.573 -7.092 -4.569 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.298 -9.154 -0.830 1.00 0.00 H new ATOM 0 HH2 TRP A 50 4.201 -7.322 -2.203 1.00 0.00 H new ATOM 770 N GLY A 51 -0.805 -9.945 -1.542 1.00 0.00 N ATOM 771 CA GLY A 51 -0.370 -9.478 -0.238 1.00 0.00 C ATOM 772 C GLY A 51 -0.742 -10.438 0.874 1.00 0.00 C ATOM 773 O GLY A 51 0.121 -11.117 1.430 1.00 0.00 O ATOM 0 H GLY A 51 -1.295 -9.249 -2.105 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.711 -9.339 -0.247 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.815 -8.504 -0.037 1.00 0.00 H new ATOM 777 N GLU A 52 -2.029 -10.493 1.201 1.00 0.00 N ATOM 778 CA GLU A 52 -2.511 -11.376 2.257 1.00 0.00 C ATOM 779 C GLU A 52 -1.931 -12.779 2.102 1.00 0.00 C ATOM 780 O GLU A 52 -1.656 -13.461 3.088 1.00 0.00 O ATOM 781 CB GLU A 52 -4.040 -11.440 2.240 1.00 0.00 C ATOM 782 CG GLU A 52 -4.603 -12.224 1.067 1.00 0.00 C ATOM 783 CD GLU A 52 -6.108 -12.086 0.942 1.00 0.00 C ATOM 784 OE1 GLU A 52 -6.581 -10.961 0.678 1.00 0.00 O ATOM 785 OE2 GLU A 52 -6.813 -13.104 1.107 1.00 0.00 O ATOM 0 H GLU A 52 -2.756 -9.937 0.751 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.181 -10.969 3.213 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.387 -11.893 3.169 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.437 -10.425 2.212 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.133 -11.880 0.146 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.347 -13.277 1.182 1.00 0.00 H new ATOM 792 N ASP A 53 -1.747 -13.201 0.856 1.00 0.00 N ATOM 793 CA ASP A 53 -1.199 -14.522 0.569 1.00 0.00 C ATOM 794 C ASP A 53 0.198 -14.671 1.164 1.00 0.00 C ATOM 795 O ASP A 53 0.551 -15.728 1.689 1.00 0.00 O ATOM 796 CB ASP A 53 -1.152 -14.762 -0.941 1.00 0.00 C ATOM 797 CG ASP A 53 -2.344 -15.556 -1.438 1.00 0.00 C ATOM 798 OD1 ASP A 53 -2.496 -16.722 -1.019 1.00 0.00 O ATOM 799 OD2 ASP A 53 -3.124 -15.011 -2.246 1.00 0.00 O ATOM 0 H ASP A 53 -1.969 -12.648 0.028 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.851 -15.266 1.027 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.117 -13.803 -1.458 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.234 -15.293 -1.193 1.00 0.00 H new ATOM 804 N LEU A 54 0.988 -13.607 1.079 1.00 0.00 N ATOM 805 CA LEU A 54 2.348 -13.620 1.608 1.00 0.00 C ATOM 806 C LEU A 54 2.356 -13.285 3.096 1.00 0.00 C ATOM 807 O LEU A 54 3.379 -12.876 3.644 1.00 0.00 O ATOM 808 CB LEU A 54 3.223 -12.624 0.844 1.00 0.00 C ATOM 809 CG LEU A 54 3.395 -12.891 -0.651 1.00 0.00 C ATOM 810 CD1 LEU A 54 4.233 -11.798 -1.296 1.00 0.00 C ATOM 811 CD2 LEU A 54 4.030 -14.256 -0.879 1.00 0.00 C ATOM 0 H LEU A 54 0.711 -12.724 0.649 1.00 0.00 H new ATOM 0 HA LEU A 54 2.753 -14.624 1.478 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.798 -11.628 0.968 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.210 -12.609 1.306 1.00 0.00 H new ATOM 0 HG LEU A 54 2.410 -12.887 -1.117 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.345 -12.005 -2.360 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.739 -10.835 -1.164 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.217 -11.769 -0.827 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.145 -14.430 -1.949 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.008 -14.287 -0.399 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.392 -15.030 -0.452 1.00 0.00 H new ATOM 823 N GLU A 55 1.209 -13.463 3.744 1.00 0.00 N ATOM 824 CA GLU A 55 1.086 -13.181 5.169 1.00 0.00 C ATOM 825 C GLU A 55 1.425 -11.723 5.466 1.00 0.00 C ATOM 826 O GLU A 55 2.290 -11.431 6.293 1.00 0.00 O ATOM 827 CB GLU A 55 2.001 -14.104 5.976 1.00 0.00 C ATOM 828 CG GLU A 55 1.435 -15.499 6.176 1.00 0.00 C ATOM 829 CD GLU A 55 2.416 -16.436 6.854 1.00 0.00 C ATOM 830 OE1 GLU A 55 3.122 -15.986 7.781 1.00 0.00 O ATOM 831 OE2 GLU A 55 2.477 -17.618 6.458 1.00 0.00 O ATOM 0 H GLU A 55 0.353 -13.801 3.305 1.00 0.00 H new ATOM 0 HA GLU A 55 0.052 -13.362 5.461 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.963 -14.181 5.470 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.189 -13.654 6.951 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.526 -15.436 6.774 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.151 -15.914 5.209 1.00 0.00 H new ATOM 838 N VAL A 56 0.739 -10.811 4.785 1.00 0.00 N ATOM 839 CA VAL A 56 0.966 -9.383 4.976 1.00 0.00 C ATOM 840 C VAL A 56 -0.289 -8.579 4.658 1.00 0.00 C ATOM 841 O VAL A 56 -0.869 -8.715 3.582 1.00 0.00 O ATOM 842 CB VAL A 56 2.124 -8.877 4.095 1.00 0.00 C ATOM 843 CG1 VAL A 56 1.617 -8.505 2.709 1.00 0.00 C ATOM 844 CG2 VAL A 56 2.816 -7.693 4.753 1.00 0.00 C ATOM 0 H VAL A 56 0.021 -11.035 4.096 1.00 0.00 H new ATOM 0 HA VAL A 56 1.228 -9.241 6.025 1.00 0.00 H new ATOM 0 HB VAL A 56 2.853 -9.680 3.986 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.449 -8.150 2.101 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.171 -9.381 2.238 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.868 -7.718 2.795 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.631 -7.349 4.117 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.099 -6.884 4.893 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.215 -7.996 5.721 1.00 0.00 H new ATOM 854 N ASN A 57 -0.703 -7.741 5.602 1.00 0.00 N ATOM 855 CA ASN A 57 -1.891 -6.914 5.423 1.00 0.00 C ATOM 856 C ASN A 57 -1.566 -5.664 4.611 1.00 0.00 C ATOM 857 O ASN A 57 -0.457 -5.135 4.685 1.00 0.00 O ATOM 858 CB ASN A 57 -2.472 -6.517 6.782 1.00 0.00 C ATOM 859 CG ASN A 57 -2.637 -7.705 7.709 1.00 0.00 C ATOM 860 OD1 ASN A 57 -3.216 -8.724 7.334 1.00 0.00 O ATOM 861 ND2 ASN A 57 -2.127 -7.579 8.929 1.00 0.00 N ATOM 0 H ASN A 57 -0.234 -7.616 6.499 1.00 0.00 H new ATOM 0 HA ASN A 57 -2.631 -7.499 4.876 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.820 -5.781 7.252 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.440 -6.038 6.634 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.208 -8.346 9.597 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.655 -6.716 9.198 1.00 0.00 H new ATOM 868 N ILE A 58 -2.541 -5.197 3.838 1.00 0.00 N ATOM 869 CA ILE A 58 -2.359 -4.008 3.015 1.00 0.00 C ATOM 870 C ILE A 58 -3.490 -3.009 3.234 1.00 0.00 C ATOM 871 O ILE A 58 -4.664 -3.377 3.246 1.00 0.00 O ATOM 872 CB ILE A 58 -2.289 -4.366 1.518 1.00 0.00 C ATOM 873 CG1 ILE A 58 -1.143 -5.346 1.259 1.00 0.00 C ATOM 874 CG2 ILE A 58 -2.116 -3.108 0.681 1.00 0.00 C ATOM 875 CD1 ILE A 58 -1.520 -6.792 1.496 1.00 0.00 C ATOM 0 H ILE A 58 -3.464 -5.624 3.765 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.415 -3.556 3.318 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.224 -4.845 1.230 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.803 -5.231 0.230 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.302 -5.088 1.903 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.068 -3.377 -0.374 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.962 -2.441 0.848 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.194 -2.603 0.969 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.660 -7.430 1.293 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.832 -6.922 2.532 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.340 -7.067 0.833 1.00 0.00 H new ATOM 887 N ALA A 59 -3.127 -1.742 3.406 1.00 0.00 N ATOM 888 CA ALA A 59 -4.111 -0.688 3.621 1.00 0.00 C ATOM 889 C ALA A 59 -3.693 0.603 2.926 1.00 0.00 C ATOM 890 O ALA A 59 -2.542 0.757 2.518 1.00 0.00 O ATOM 891 CB ALA A 59 -4.310 -0.448 5.110 1.00 0.00 C ATOM 0 H ALA A 59 -2.159 -1.421 3.401 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.057 -1.013 3.187 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.047 0.341 5.256 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.662 -1.365 5.583 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.364 -0.148 5.560 1.00 0.00 H new ATOM 897 N LYS A 60 -4.636 1.530 2.793 1.00 0.00 N ATOM 898 CA LYS A 60 -4.367 2.809 2.148 1.00 0.00 C ATOM 899 C LYS A 60 -4.861 3.968 3.008 1.00 0.00 C ATOM 900 O LYS A 60 -5.841 3.836 3.741 1.00 0.00 O ATOM 901 CB LYS A 60 -5.036 2.861 0.772 1.00 0.00 C ATOM 902 CG LYS A 60 -6.540 3.066 0.834 1.00 0.00 C ATOM 903 CD LYS A 60 -7.183 2.896 -0.532 1.00 0.00 C ATOM 904 CE LYS A 60 -8.701 2.918 -0.440 1.00 0.00 C ATOM 905 NZ LYS A 60 -9.328 3.348 -1.721 1.00 0.00 N ATOM 0 H LYS A 60 -5.594 1.419 3.124 1.00 0.00 H new ATOM 0 HA LYS A 60 -3.288 2.905 2.025 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.591 3.669 0.191 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.826 1.933 0.240 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.977 2.353 1.534 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.757 4.063 1.218 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.846 3.692 -1.196 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.858 1.954 -0.974 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.063 1.925 -0.174 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.007 3.594 0.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.363 3.350 -1.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.002 4.306 -1.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.057 2.689 -2.479 1.00 0.00 H new ATOM 919 N VAL A 61 -4.177 5.103 2.914 1.00 0.00 N ATOM 920 CA VAL A 61 -4.547 6.286 3.682 1.00 0.00 C ATOM 921 C VAL A 61 -4.754 7.490 2.771 1.00 0.00 C ATOM 922 O VAL A 61 -4.153 7.583 1.701 1.00 0.00 O ATOM 923 CB VAL A 61 -3.477 6.630 4.735 1.00 0.00 C ATOM 924 CG1 VAL A 61 -3.713 8.022 5.301 1.00 0.00 C ATOM 925 CG2 VAL A 61 -3.467 5.588 5.844 1.00 0.00 C ATOM 0 H VAL A 61 -3.363 5.229 2.313 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.483 6.053 4.190 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.500 6.622 4.252 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.947 8.248 6.043 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.665 8.755 4.496 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.696 8.062 5.770 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.705 5.847 6.579 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.444 5.562 6.327 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.245 4.608 5.421 1.00 0.00 H new ATOM 935 N ASP A 62 -5.608 8.412 3.202 1.00 0.00 N ATOM 936 CA ASP A 62 -5.893 9.613 2.426 1.00 0.00 C ATOM 937 C ASP A 62 -5.426 10.862 3.166 1.00 0.00 C ATOM 938 O ASP A 62 -5.842 11.120 4.296 1.00 0.00 O ATOM 939 CB ASP A 62 -7.391 9.711 2.131 1.00 0.00 C ATOM 940 CG ASP A 62 -7.678 10.424 0.824 1.00 0.00 C ATOM 941 OD1 ASP A 62 -6.755 10.524 -0.013 1.00 0.00 O ATOM 942 OD2 ASP A 62 -8.824 10.881 0.637 1.00 0.00 O ATOM 0 H ASP A 62 -6.115 8.350 4.085 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.348 9.545 1.485 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -7.818 8.709 2.096 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.885 10.240 2.946 1.00 0.00 H new ATOM 947 N VAL A 63 -4.556 11.635 2.523 1.00 0.00 N ATOM 948 CA VAL A 63 -4.031 12.857 3.120 1.00 0.00 C ATOM 949 C VAL A 63 -4.979 14.030 2.894 1.00 0.00 C ATOM 950 O VAL A 63 -4.556 15.185 2.849 1.00 0.00 O ATOM 951 CB VAL A 63 -2.647 13.212 2.545 1.00 0.00 C ATOM 952 CG1 VAL A 63 -1.670 12.066 2.757 1.00 0.00 C ATOM 953 CG2 VAL A 63 -2.757 13.564 1.069 1.00 0.00 C ATOM 0 H VAL A 63 -4.200 11.436 1.588 1.00 0.00 H new ATOM 0 HA VAL A 63 -3.935 12.671 4.190 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.266 14.085 3.075 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.698 12.336 2.344 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.569 11.867 3.824 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.042 11.173 2.255 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.770 13.812 0.680 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.160 12.712 0.521 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.421 14.420 0.948 1.00 0.00 H new ATOM 963 N THR A 64 -6.266 13.725 2.753 1.00 0.00 N ATOM 964 CA THR A 64 -7.275 14.753 2.531 1.00 0.00 C ATOM 965 C THR A 64 -8.461 14.570 3.470 1.00 0.00 C ATOM 966 O THR A 64 -9.091 15.542 3.885 1.00 0.00 O ATOM 967 CB THR A 64 -7.779 14.741 1.076 1.00 0.00 C ATOM 968 OG1 THR A 64 -8.401 13.484 0.784 1.00 0.00 O ATOM 969 CG2 THR A 64 -6.634 14.984 0.104 1.00 0.00 C ATOM 0 H THR A 64 -6.633 12.774 2.789 1.00 0.00 H new ATOM 0 HA THR A 64 -6.799 15.712 2.734 1.00 0.00 H new ATOM 0 HB THR A 64 -8.508 15.543 0.961 1.00 0.00 H new ATOM 0 HG1 THR A 64 -8.720 13.484 -0.143 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.015 14.971 -0.917 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.181 15.954 0.310 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.884 14.201 0.222 1.00 0.00 H new ATOM 977 N GLU A 65 -8.761 13.318 3.801 1.00 0.00 N ATOM 978 CA GLU A 65 -9.873 13.009 4.692 1.00 0.00 C ATOM 979 C GLU A 65 -9.368 12.618 6.078 1.00 0.00 C ATOM 980 O GLU A 65 -10.115 12.659 7.055 1.00 0.00 O ATOM 981 CB GLU A 65 -10.723 11.877 4.109 1.00 0.00 C ATOM 982 CG GLU A 65 -11.272 12.179 2.725 1.00 0.00 C ATOM 983 CD GLU A 65 -12.587 11.476 2.453 1.00 0.00 C ATOM 984 OE1 GLU A 65 -12.806 10.385 3.019 1.00 0.00 O ATOM 985 OE2 GLU A 65 -13.399 12.019 1.674 1.00 0.00 O ATOM 0 H GLU A 65 -8.250 12.502 3.466 1.00 0.00 H new ATOM 0 HA GLU A 65 -10.488 13.904 4.788 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -10.121 10.969 4.062 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.554 11.674 4.784 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -11.411 13.255 2.620 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.541 11.878 1.975 1.00 0.00 H new ATOM 992 N GLN A 66 -8.096 12.239 6.153 1.00 0.00 N ATOM 993 CA GLN A 66 -7.492 11.840 7.419 1.00 0.00 C ATOM 994 C GLN A 66 -6.430 12.844 7.855 1.00 0.00 C ATOM 995 O GLN A 66 -5.251 12.723 7.520 1.00 0.00 O ATOM 996 CB GLN A 66 -6.874 10.447 7.296 1.00 0.00 C ATOM 997 CG GLN A 66 -7.778 9.438 6.605 1.00 0.00 C ATOM 998 CD GLN A 66 -9.250 9.714 6.846 1.00 0.00 C ATOM 999 OE1 GLN A 66 -10.036 9.815 5.904 1.00 0.00 O ATOM 1000 NE2 GLN A 66 -9.630 9.837 8.112 1.00 0.00 N ATOM 0 H GLN A 66 -7.464 12.200 5.353 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.276 11.816 8.176 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -5.938 10.522 6.743 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -6.627 10.079 8.292 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -7.580 9.452 5.533 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -7.537 8.436 6.960 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -8.944 9.746 8.861 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -10.608 10.023 8.335 1.00 0.00 H new ATOM 1009 N PRO A 67 -6.854 13.860 8.621 1.00 0.00 N ATOM 1010 CA PRO A 67 -5.955 14.905 9.120 1.00 0.00 C ATOM 1011 C PRO A 67 -4.990 14.382 10.178 1.00 0.00 C ATOM 1012 O PRO A 67 -3.826 14.778 10.220 1.00 0.00 O ATOM 1013 CB PRO A 67 -6.910 15.934 9.729 1.00 0.00 C ATOM 1014 CG PRO A 67 -8.126 15.154 10.092 1.00 0.00 C ATOM 1015 CD PRO A 67 -8.245 14.067 9.059 1.00 0.00 C ATOM 0 HA PRO A 67 -5.320 15.308 8.331 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.471 16.412 10.604 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -7.145 16.726 9.018 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -8.035 14.733 11.093 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -9.011 15.790 10.093 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -8.673 13.157 9.480 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -8.887 14.368 8.231 1.00 0.00 H new ATOM 1023 N GLY A 68 -5.482 13.489 11.032 1.00 0.00 N ATOM 1024 CA GLY A 68 -4.649 12.926 12.078 1.00 0.00 C ATOM 1025 C GLY A 68 -3.549 12.038 11.530 1.00 0.00 C ATOM 1026 O GLY A 68 -2.368 12.266 11.793 1.00 0.00 O ATOM 0 H GLY A 68 -6.442 13.146 11.018 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.204 13.734 12.658 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.271 12.348 12.762 1.00 0.00 H new ATOM 1030 N LEU A 69 -3.937 11.022 10.767 1.00 0.00 N ATOM 1031 CA LEU A 69 -2.975 10.095 10.181 1.00 0.00 C ATOM 1032 C LEU A 69 -1.803 10.847 9.558 1.00 0.00 C ATOM 1033 O LEU A 69 -0.645 10.470 9.737 1.00 0.00 O ATOM 1034 CB LEU A 69 -3.656 9.223 9.124 1.00 0.00 C ATOM 1035 CG LEU A 69 -4.262 7.912 9.624 1.00 0.00 C ATOM 1036 CD1 LEU A 69 -5.105 7.265 8.536 1.00 0.00 C ATOM 1037 CD2 LEU A 69 -3.168 6.962 10.090 1.00 0.00 C ATOM 0 H LEU A 69 -4.910 10.819 10.540 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.591 9.457 10.977 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.446 9.808 8.653 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.926 8.990 8.349 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.909 8.133 10.473 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.528 6.333 8.910 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.911 7.941 8.250 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.481 7.057 7.667 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.618 6.034 10.443 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.495 6.747 9.260 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.606 7.424 10.902 1.00 0.00 H new ATOM 1049 N SER A 70 -2.112 11.914 8.828 1.00 0.00 N ATOM 1050 CA SER A 70 -1.085 12.719 8.178 1.00 0.00 C ATOM 1051 C SER A 70 0.103 12.940 9.109 1.00 0.00 C ATOM 1052 O SER A 70 1.253 12.730 8.727 1.00 0.00 O ATOM 1053 CB SER A 70 -1.663 14.066 7.742 1.00 0.00 C ATOM 1054 OG SER A 70 -0.644 14.930 7.270 1.00 0.00 O ATOM 0 H SER A 70 -3.066 12.241 8.672 1.00 0.00 H new ATOM 0 HA SER A 70 -0.738 12.178 7.297 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.404 13.910 6.958 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.180 14.532 8.581 1.00 0.00 H new ATOM 0 HG SER A 70 -1.040 15.784 6.996 1.00 0.00 H new ATOM 1060 N GLY A 71 -0.186 13.365 10.335 1.00 0.00 N ATOM 1061 CA GLY A 71 0.868 13.608 11.303 1.00 0.00 C ATOM 1062 C GLY A 71 1.399 12.328 11.916 1.00 0.00 C ATOM 1063 O GLY A 71 2.606 12.177 12.107 1.00 0.00 O ATOM 0 H GLY A 71 -1.131 13.545 10.675 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.686 14.142 10.819 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.489 14.256 12.093 1.00 0.00 H new ATOM 1067 N ARG A 72 0.496 11.403 12.227 1.00 0.00 N ATOM 1068 CA ARG A 72 0.880 10.130 12.824 1.00 0.00 C ATOM 1069 C ARG A 72 2.123 9.564 12.145 1.00 0.00 C ATOM 1070 O ARG A 72 2.855 8.766 12.732 1.00 0.00 O ATOM 1071 CB ARG A 72 -0.271 9.127 12.723 1.00 0.00 C ATOM 1072 CG ARG A 72 -1.477 9.496 13.571 1.00 0.00 C ATOM 1073 CD ARG A 72 -2.457 8.338 13.680 1.00 0.00 C ATOM 1074 NE ARG A 72 -3.762 8.770 14.173 1.00 0.00 N ATOM 1075 CZ ARG A 72 -4.039 8.948 15.460 1.00 0.00 C ATOM 1076 NH1 ARG A 72 -3.107 8.732 16.379 1.00 0.00 N ATOM 1077 NH2 ARG A 72 -5.250 9.343 15.831 1.00 0.00 N ATOM 0 H ARG A 72 -0.507 11.512 12.075 1.00 0.00 H new ATOM 0 HA ARG A 72 1.109 10.305 13.875 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.581 9.047 11.681 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.088 8.143 13.026 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.146 9.789 14.567 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -1.979 10.359 13.135 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -2.575 7.870 12.703 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -2.050 7.580 14.349 1.00 0.00 H new ATOM 0 HE ARG A 72 -4.501 8.945 13.492 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -2.175 8.428 16.098 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.323 8.870 17.366 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -5.970 9.510 15.128 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -5.461 9.479 16.819 1.00 0.00 H new ATOM 1091 N PHE A 73 2.357 9.982 10.905 1.00 0.00 N ATOM 1092 CA PHE A 73 3.511 9.516 10.146 1.00 0.00 C ATOM 1093 C PHE A 73 4.346 10.692 9.649 1.00 0.00 C ATOM 1094 O PHE A 73 5.414 10.506 9.066 1.00 0.00 O ATOM 1095 CB PHE A 73 3.056 8.662 8.960 1.00 0.00 C ATOM 1096 CG PHE A 73 2.393 7.377 9.366 1.00 0.00 C ATOM 1097 CD1 PHE A 73 1.109 7.379 9.886 1.00 0.00 C ATOM 1098 CD2 PHE A 73 3.054 6.167 9.228 1.00 0.00 C ATOM 1099 CE1 PHE A 73 0.497 6.198 10.261 1.00 0.00 C ATOM 1100 CE2 PHE A 73 2.447 4.983 9.602 1.00 0.00 C ATOM 1101 CZ PHE A 73 1.166 4.998 10.118 1.00 0.00 C ATOM 0 H PHE A 73 1.762 10.643 10.405 1.00 0.00 H new ATOM 0 HA PHE A 73 4.129 8.908 10.807 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.364 9.242 8.350 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.919 8.434 8.334 1.00 0.00 H new ATOM 0 HD1 PHE A 73 0.580 8.314 10.000 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.055 6.149 8.823 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -0.504 6.213 10.666 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.974 4.047 9.491 1.00 0.00 H new ATOM 0 HZ PHE A 73 0.689 4.074 10.409 1.00 0.00 H new ATOM 1111 N ILE A 74 3.851 11.903 9.884 1.00 0.00 N ATOM 1112 CA ILE A 74 4.551 13.109 9.461 1.00 0.00 C ATOM 1113 C ILE A 74 4.971 13.017 7.998 1.00 0.00 C ATOM 1114 O ILE A 74 6.145 13.183 7.667 1.00 0.00 O ATOM 1115 CB ILE A 74 5.799 13.368 10.326 1.00 0.00 C ATOM 1116 CG1 ILE A 74 5.452 13.241 11.811 1.00 0.00 C ATOM 1117 CG2 ILE A 74 6.375 14.744 10.026 1.00 0.00 C ATOM 1118 CD1 ILE A 74 5.724 11.866 12.379 1.00 0.00 C ATOM 0 H ILE A 74 2.968 12.074 10.365 1.00 0.00 H new ATOM 0 HA ILE A 74 3.854 13.938 9.585 1.00 0.00 H new ATOM 0 HB ILE A 74 6.553 12.620 10.083 1.00 0.00 H new ATOM 0 HG12 ILE A 74 6.025 13.978 12.374 1.00 0.00 H new ATOM 0 HG13 ILE A 74 4.398 13.481 11.952 1.00 0.00 H new ATOM 0 HG21 ILE A 74 7.256 14.912 10.645 1.00 0.00 H new ATOM 0 HG22 ILE A 74 6.654 14.800 8.974 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.627 15.507 10.244 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.455 11.849 13.435 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.131 11.126 11.841 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.783 11.630 12.270 1.00 0.00 H new ATOM 1130 N ILE A 75 4.003 12.754 7.126 1.00 0.00 N ATOM 1131 CA ILE A 75 4.272 12.643 5.698 1.00 0.00 C ATOM 1132 C ILE A 75 4.612 14.002 5.095 1.00 0.00 C ATOM 1133 O ILE A 75 3.822 14.941 5.172 1.00 0.00 O ATOM 1134 CB ILE A 75 3.070 12.045 4.943 1.00 0.00 C ATOM 1135 CG1 ILE A 75 2.707 10.676 5.521 1.00 0.00 C ATOM 1136 CG2 ILE A 75 3.378 11.935 3.458 1.00 0.00 C ATOM 1137 CD1 ILE A 75 3.810 9.650 5.383 1.00 0.00 C ATOM 0 H ILE A 75 3.026 12.614 7.384 1.00 0.00 H new ATOM 0 HA ILE A 75 5.127 11.976 5.589 1.00 0.00 H new ATOM 0 HB ILE A 75 2.215 12.709 5.068 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.458 10.790 6.576 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.812 10.305 5.021 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.519 11.511 2.939 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.592 12.925 3.056 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.244 11.290 3.313 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.483 8.704 5.814 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.044 9.507 4.328 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.700 9.999 5.907 1.00 0.00 H new ATOM 1149 N ASN A 76 5.793 14.097 4.494 1.00 0.00 N ATOM 1150 CA ASN A 76 6.238 15.342 3.876 1.00 0.00 C ATOM 1151 C ASN A 76 6.171 15.248 2.355 1.00 0.00 C ATOM 1152 O ASN A 76 5.736 16.184 1.684 1.00 0.00 O ATOM 1153 CB ASN A 76 7.666 15.671 4.315 1.00 0.00 C ATOM 1154 CG ASN A 76 7.776 15.886 5.812 1.00 0.00 C ATOM 1155 OD1 ASN A 76 6.858 15.561 6.566 1.00 0.00 O ATOM 1156 ND2 ASN A 76 8.902 16.435 6.250 1.00 0.00 N ATOM 0 H ASN A 76 6.459 13.328 4.421 1.00 0.00 H new ATOM 0 HA ASN A 76 5.571 16.140 4.203 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.331 14.860 4.017 1.00 0.00 H new ATOM 0 HB3 ASN A 76 8.005 16.568 3.796 1.00 0.00 H new ATOM 0 HD21 ASN A 76 9.033 16.603 7.247 1.00 0.00 H new ATOM 0 HD22 ASN A 76 9.636 16.689 5.589 1.00 0.00 H new ATOM 1163 N ALA A 77 6.604 14.112 1.817 1.00 0.00 N ATOM 1164 CA ALA A 77 6.590 13.895 0.376 1.00 0.00 C ATOM 1165 C ALA A 77 5.694 12.718 0.007 1.00 0.00 C ATOM 1166 O ALA A 77 5.426 11.845 0.834 1.00 0.00 O ATOM 1167 CB ALA A 77 8.004 13.666 -0.136 1.00 0.00 C ATOM 0 H ALA A 77 6.969 13.328 2.358 1.00 0.00 H new ATOM 0 HA ALA A 77 6.184 14.789 -0.098 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.979 13.505 -1.214 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.617 14.539 0.087 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.430 12.789 0.352 1.00 0.00 H new ATOM 1173 N LEU A 78 5.233 12.699 -1.239 1.00 0.00 N ATOM 1174 CA LEU A 78 4.365 11.629 -1.718 1.00 0.00 C ATOM 1175 C LEU A 78 4.657 11.304 -3.179 1.00 0.00 C ATOM 1176 O LEU A 78 5.106 12.152 -3.951 1.00 0.00 O ATOM 1177 CB LEU A 78 2.897 12.024 -1.555 1.00 0.00 C ATOM 1178 CG LEU A 78 2.432 12.307 -0.126 1.00 0.00 C ATOM 1179 CD1 LEU A 78 1.315 13.338 -0.122 1.00 0.00 C ATOM 1180 CD2 LEU A 78 1.978 11.022 0.551 1.00 0.00 C ATOM 0 H LEU A 78 5.446 13.413 -1.936 1.00 0.00 H new ATOM 0 HA LEU A 78 4.563 10.739 -1.120 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.712 12.912 -2.159 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.279 11.225 -1.965 1.00 0.00 H new ATOM 0 HG LEU A 78 3.273 12.712 0.436 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.997 13.526 0.904 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.675 14.266 -0.567 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.471 12.962 -0.700 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.651 11.242 1.567 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.151 10.587 -0.011 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.807 10.315 0.582 1.00 0.00 H new ATOM 1192 N PRO A 79 4.395 10.048 -3.571 1.00 0.00 N ATOM 1193 CA PRO A 79 3.861 9.031 -2.661 1.00 0.00 C ATOM 1194 C PRO A 79 4.882 8.596 -1.615 1.00 0.00 C ATOM 1195 O PRO A 79 6.058 8.951 -1.694 1.00 0.00 O ATOM 1196 CB PRO A 79 3.521 7.865 -3.593 1.00 0.00 C ATOM 1197 CG PRO A 79 4.423 8.041 -4.765 1.00 0.00 C ATOM 1198 CD PRO A 79 4.600 9.525 -4.932 1.00 0.00 C ATOM 0 HA PRO A 79 3.009 9.401 -2.090 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.690 6.905 -3.104 1.00 0.00 H new ATOM 0 HB3 PRO A 79 2.473 7.890 -3.893 1.00 0.00 H new ATOM 0 HG2 PRO A 79 5.382 7.550 -4.597 1.00 0.00 H new ATOM 0 HG3 PRO A 79 3.990 7.596 -5.661 1.00 0.00 H new ATOM 0 HD2 PRO A 79 5.591 9.771 -5.312 1.00 0.00 H new ATOM 0 HD3 PRO A 79 3.877 9.939 -5.635 1.00 0.00 H new ATOM 1206 N THR A 80 4.424 7.824 -0.634 1.00 0.00 N ATOM 1207 CA THR A 80 5.297 7.341 0.429 1.00 0.00 C ATOM 1208 C THR A 80 4.711 6.106 1.104 1.00 0.00 C ATOM 1209 O THR A 80 3.640 6.168 1.709 1.00 0.00 O ATOM 1210 CB THR A 80 5.541 8.427 1.494 1.00 0.00 C ATOM 1211 OG1 THR A 80 6.378 9.458 0.959 1.00 0.00 O ATOM 1212 CG2 THR A 80 6.189 7.833 2.735 1.00 0.00 C ATOM 0 H THR A 80 3.454 7.520 -0.554 1.00 0.00 H new ATOM 0 HA THR A 80 6.247 7.080 -0.037 1.00 0.00 H new ATOM 0 HB THR A 80 4.577 8.851 1.776 1.00 0.00 H new ATOM 0 HG1 THR A 80 5.821 10.199 0.641 1.00 0.00 H new ATOM 0 HG21 THR A 80 6.351 8.619 3.472 1.00 0.00 H new ATOM 0 HG22 THR A 80 5.535 7.069 3.157 1.00 0.00 H new ATOM 0 HG23 THR A 80 7.145 7.384 2.467 1.00 0.00 H new ATOM 1220 N ILE A 81 5.418 4.987 0.997 1.00 0.00 N ATOM 1221 CA ILE A 81 4.967 3.739 1.599 1.00 0.00 C ATOM 1222 C ILE A 81 5.658 3.492 2.936 1.00 0.00 C ATOM 1223 O ILE A 81 6.813 3.874 3.130 1.00 0.00 O ATOM 1224 CB ILE A 81 5.229 2.539 0.670 1.00 0.00 C ATOM 1225 CG1 ILE A 81 4.428 2.685 -0.626 1.00 0.00 C ATOM 1226 CG2 ILE A 81 4.874 1.237 1.374 1.00 0.00 C ATOM 1227 CD1 ILE A 81 5.050 1.969 -1.804 1.00 0.00 C ATOM 0 H ILE A 81 6.306 4.919 0.499 1.00 0.00 H new ATOM 0 HA ILE A 81 3.893 3.836 1.760 1.00 0.00 H new ATOM 0 HB ILE A 81 6.290 2.517 0.419 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.421 2.299 -0.467 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.329 3.744 -0.865 1.00 0.00 H new ATOM 0 HG21 ILE A 81 5.064 0.398 0.705 1.00 0.00 H new ATOM 0 HG22 ILE A 81 5.483 1.131 2.272 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.820 1.249 1.650 1.00 0.00 H new ATOM 0 HD11 ILE A 81 4.429 2.115 -2.688 1.00 0.00 H new ATOM 0 HD12 ILE A 81 6.046 2.371 -1.990 1.00 0.00 H new ATOM 0 HD13 ILE A 81 5.124 0.904 -1.585 1.00 0.00 H new ATOM 1239 N TYR A 82 4.945 2.850 3.855 1.00 0.00 N ATOM 1240 CA TYR A 82 5.490 2.552 5.174 1.00 0.00 C ATOM 1241 C TYR A 82 5.089 1.151 5.626 1.00 0.00 C ATOM 1242 O TYR A 82 3.906 0.809 5.651 1.00 0.00 O ATOM 1243 CB TYR A 82 5.007 3.586 6.193 1.00 0.00 C ATOM 1244 CG TYR A 82 5.915 4.789 6.312 1.00 0.00 C ATOM 1245 CD1 TYR A 82 7.232 4.652 6.731 1.00 0.00 C ATOM 1246 CD2 TYR A 82 5.455 6.064 6.004 1.00 0.00 C ATOM 1247 CE1 TYR A 82 8.065 5.748 6.841 1.00 0.00 C ATOM 1248 CE2 TYR A 82 6.281 7.166 6.110 1.00 0.00 C ATOM 1249 CZ TYR A 82 7.585 7.003 6.529 1.00 0.00 C ATOM 1250 OH TYR A 82 8.412 8.098 6.637 1.00 0.00 O ATOM 0 H TYR A 82 3.989 2.526 3.711 1.00 0.00 H new ATOM 0 HA TYR A 82 6.577 2.595 5.108 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.009 3.921 5.912 1.00 0.00 H new ATOM 0 HB3 TYR A 82 4.920 3.109 7.169 1.00 0.00 H new ATOM 0 HD1 TYR A 82 7.612 3.671 6.975 1.00 0.00 H new ATOM 0 HD2 TYR A 82 4.434 6.195 5.676 1.00 0.00 H new ATOM 0 HE1 TYR A 82 9.086 5.623 7.169 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.908 8.150 5.866 1.00 0.00 H new ATOM 0 HH TYR A 82 7.921 8.906 6.379 1.00 0.00 H new ATOM 1260 N HIS A 83 6.083 0.344 5.982 1.00 0.00 N ATOM 1261 CA HIS A 83 5.836 -1.020 6.435 1.00 0.00 C ATOM 1262 C HIS A 83 5.775 -1.085 7.958 1.00 0.00 C ATOM 1263 O HIS A 83 6.805 -1.047 8.632 1.00 0.00 O ATOM 1264 CB HIS A 83 6.927 -1.958 5.916 1.00 0.00 C ATOM 1265 CG HIS A 83 6.729 -3.387 6.317 1.00 0.00 C ATOM 1266 ND1 HIS A 83 7.519 -4.022 7.252 1.00 0.00 N ATOM 1267 CD2 HIS A 83 5.822 -4.305 5.907 1.00 0.00 C ATOM 1268 CE1 HIS A 83 7.109 -5.269 7.397 1.00 0.00 C ATOM 1269 NE2 HIS A 83 6.080 -5.466 6.593 1.00 0.00 N ATOM 0 H HIS A 83 7.067 0.611 5.966 1.00 0.00 H new ATOM 0 HA HIS A 83 4.873 -1.339 6.037 1.00 0.00 H new ATOM 0 HB2 HIS A 83 6.961 -1.896 4.828 1.00 0.00 H new ATOM 0 HB3 HIS A 83 7.894 -1.616 6.285 1.00 0.00 H new ATOM 0 HD2 HIS A 83 5.041 -4.152 5.177 1.00 0.00 H new ATOM 0 HE1 HIS A 83 7.542 -6.003 8.060 1.00 0.00 H new ATOM 0 HE2 HIS A 83 5.561 -6.339 6.497 1.00 0.00 H new ATOM 1278 N CYS A 84 4.563 -1.182 8.493 1.00 0.00 N ATOM 1279 CA CYS A 84 4.368 -1.251 9.937 1.00 0.00 C ATOM 1280 C CYS A 84 4.441 -2.693 10.427 1.00 0.00 C ATOM 1281 O CYS A 84 3.667 -3.547 9.996 1.00 0.00 O ATOM 1282 CB CYS A 84 3.021 -0.637 10.320 1.00 0.00 C ATOM 1283 SG CYS A 84 2.741 -0.525 12.103 1.00 0.00 S ATOM 0 H CYS A 84 3.701 -1.215 7.949 1.00 0.00 H new ATOM 0 HA CYS A 84 5.167 -0.683 10.414 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.953 0.362 9.889 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.223 -1.231 9.874 1.00 0.00 H new ATOM 0 HG CYS A 84 2.808 0.719 12.476 1.00 0.00 H new ATOM 1289 N LYS A 85 5.379 -2.958 11.331 1.00 0.00 N ATOM 1290 CA LYS A 85 5.555 -4.297 11.881 1.00 0.00 C ATOM 1291 C LYS A 85 5.540 -4.265 13.406 1.00 0.00 C ATOM 1292 O LYS A 85 6.438 -3.703 14.034 1.00 0.00 O ATOM 1293 CB LYS A 85 6.870 -4.905 11.386 1.00 0.00 C ATOM 1294 CG LYS A 85 7.195 -6.246 12.020 1.00 0.00 C ATOM 1295 CD LYS A 85 8.557 -6.756 11.577 1.00 0.00 C ATOM 1296 CE LYS A 85 8.659 -8.267 11.719 1.00 0.00 C ATOM 1297 NZ LYS A 85 8.548 -8.699 13.139 1.00 0.00 N ATOM 0 H LYS A 85 6.029 -2.263 11.698 1.00 0.00 H new ATOM 0 HA LYS A 85 4.725 -4.915 11.540 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.820 -5.026 10.304 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.683 -4.209 11.591 1.00 0.00 H new ATOM 0 HG2 LYS A 85 7.177 -6.150 13.106 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.428 -6.972 11.751 1.00 0.00 H new ATOM 0 HD2 LYS A 85 8.732 -6.474 10.539 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.336 -6.280 12.172 1.00 0.00 H new ATOM 0 HE2 LYS A 85 7.872 -8.741 11.133 1.00 0.00 H new ATOM 0 HE3 LYS A 85 9.610 -8.607 11.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 8.690 -9.727 13.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 9.272 -8.215 13.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 7.604 -8.457 13.503 1.00 0.00 H new ATOM 1311 N ASP A 86 4.515 -4.871 13.995 1.00 0.00 N ATOM 1312 CA ASP A 86 4.385 -4.914 15.447 1.00 0.00 C ATOM 1313 C ASP A 86 4.711 -3.557 16.063 1.00 0.00 C ATOM 1314 O ASP A 86 5.226 -3.477 17.177 1.00 0.00 O ATOM 1315 CB ASP A 86 5.304 -5.988 16.032 1.00 0.00 C ATOM 1316 CG ASP A 86 4.803 -7.392 15.757 1.00 0.00 C ATOM 1317 OD1 ASP A 86 4.973 -7.871 14.616 1.00 0.00 O ATOM 1318 OD2 ASP A 86 4.240 -8.012 16.684 1.00 0.00 O ATOM 0 H ASP A 86 3.762 -5.339 13.490 1.00 0.00 H new ATOM 0 HA ASP A 86 3.351 -5.162 15.687 1.00 0.00 H new ATOM 0 HB2 ASP A 86 6.304 -5.874 15.613 1.00 0.00 H new ATOM 0 HB3 ASP A 86 5.391 -5.841 17.109 1.00 0.00 H new ATOM 1323 N GLY A 87 4.408 -2.491 15.328 1.00 0.00 N ATOM 1324 CA GLY A 87 4.677 -1.152 15.817 1.00 0.00 C ATOM 1325 C GLY A 87 5.788 -0.466 15.048 1.00 0.00 C ATOM 1326 O GLY A 87 5.705 0.726 14.756 1.00 0.00 O ATOM 0 H GLY A 87 3.981 -2.531 14.403 1.00 0.00 H new ATOM 0 HA2 GLY A 87 3.768 -0.554 15.748 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.946 -1.201 16.872 1.00 0.00 H new ATOM 1330 N GLU A 88 6.832 -1.221 14.720 1.00 0.00 N ATOM 1331 CA GLU A 88 7.966 -0.676 13.982 1.00 0.00 C ATOM 1332 C GLU A 88 7.513 -0.073 12.656 1.00 0.00 C ATOM 1333 O GLU A 88 6.402 -0.330 12.191 1.00 0.00 O ATOM 1334 CB GLU A 88 9.009 -1.767 13.729 1.00 0.00 C ATOM 1335 CG GLU A 88 9.687 -2.266 14.994 1.00 0.00 C ATOM 1336 CD GLU A 88 11.058 -2.855 14.727 1.00 0.00 C ATOM 1337 OE1 GLU A 88 11.182 -3.672 13.791 1.00 0.00 O ATOM 1338 OE2 GLU A 88 12.008 -2.499 15.456 1.00 0.00 O ATOM 0 H GLU A 88 6.916 -2.210 14.953 1.00 0.00 H new ATOM 0 HA GLU A 88 8.415 0.113 14.585 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.529 -2.608 13.228 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.768 -1.382 13.048 1.00 0.00 H new ATOM 0 HG2 GLU A 88 9.781 -1.442 15.701 1.00 0.00 H new ATOM 0 HG3 GLU A 88 9.057 -3.020 15.466 1.00 0.00 H new ATOM 1345 N PHE A 89 8.380 0.731 12.051 1.00 0.00 N ATOM 1346 CA PHE A 89 8.070 1.373 10.779 1.00 0.00 C ATOM 1347 C PHE A 89 9.321 1.504 9.916 1.00 0.00 C ATOM 1348 O PHE A 89 10.293 2.151 10.307 1.00 0.00 O ATOM 1349 CB PHE A 89 7.454 2.754 11.017 1.00 0.00 C ATOM 1350 CG PHE A 89 6.047 2.700 11.540 1.00 0.00 C ATOM 1351 CD1 PHE A 89 4.980 2.512 10.678 1.00 0.00 C ATOM 1352 CD2 PHE A 89 5.793 2.839 12.895 1.00 0.00 C ATOM 1353 CE1 PHE A 89 3.684 2.462 11.156 1.00 0.00 C ATOM 1354 CE2 PHE A 89 4.499 2.790 13.380 1.00 0.00 C ATOM 1355 CZ PHE A 89 3.444 2.602 12.509 1.00 0.00 C ATOM 0 H PHE A 89 9.304 0.954 12.421 1.00 0.00 H new ATOM 0 HA PHE A 89 7.350 0.747 10.251 1.00 0.00 H new ATOM 0 HB2 PHE A 89 8.075 3.303 11.724 1.00 0.00 H new ATOM 0 HB3 PHE A 89 7.464 3.314 10.082 1.00 0.00 H new ATOM 0 HD1 PHE A 89 5.163 2.403 9.619 1.00 0.00 H new ATOM 0 HD2 PHE A 89 6.615 2.987 13.580 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.861 2.314 10.473 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.314 2.899 14.438 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.432 2.564 12.885 1.00 0.00 H new ATOM 1365 N ARG A 90 9.290 0.885 8.740 1.00 0.00 N ATOM 1366 CA ARG A 90 10.421 0.930 7.822 1.00 0.00 C ATOM 1367 C ARG A 90 9.970 1.340 6.423 1.00 0.00 C ATOM 1368 O ARG A 90 9.409 0.535 5.680 1.00 0.00 O ATOM 1369 CB ARG A 90 11.115 -0.432 7.767 1.00 0.00 C ATOM 1370 CG ARG A 90 11.846 -0.796 9.049 1.00 0.00 C ATOM 1371 CD ARG A 90 12.934 -1.828 8.796 1.00 0.00 C ATOM 1372 NE ARG A 90 13.921 -1.858 9.872 1.00 0.00 N ATOM 1373 CZ ARG A 90 13.675 -2.347 11.082 1.00 0.00 C ATOM 1374 NH1 ARG A 90 12.480 -2.845 11.369 1.00 0.00 N ATOM 1375 NH2 ARG A 90 14.625 -2.339 12.008 1.00 0.00 N ATOM 0 H ARG A 90 8.493 0.346 8.401 1.00 0.00 H new ATOM 0 HA ARG A 90 11.126 1.675 8.190 1.00 0.00 H new ATOM 0 HB2 ARG A 90 10.372 -1.200 7.552 1.00 0.00 H new ATOM 0 HB3 ARG A 90 11.825 -0.435 6.940 1.00 0.00 H new ATOM 0 HG2 ARG A 90 12.287 0.100 9.484 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.134 -1.187 9.777 1.00 0.00 H new ATOM 0 HD2 ARG A 90 12.481 -2.814 8.692 1.00 0.00 H new ATOM 0 HD3 ARG A 90 13.433 -1.605 7.853 1.00 0.00 H new ATOM 0 HE ARG A 90 14.851 -1.483 9.684 1.00 0.00 H new ATOM 0 HH11 ARG A 90 11.747 -2.853 10.660 1.00 0.00 H new ATOM 0 HH12 ARG A 90 12.294 -3.220 12.299 1.00 0.00 H new ATOM 0 HH21 ARG A 90 15.546 -1.957 11.791 1.00 0.00 H new ATOM 0 HH22 ARG A 90 14.435 -2.715 12.937 1.00 0.00 H new ATOM 1389 N ARG A 91 10.218 2.598 6.072 1.00 0.00 N ATOM 1390 CA ARG A 91 9.837 3.115 4.764 1.00 0.00 C ATOM 1391 C ARG A 91 10.233 2.142 3.657 1.00 0.00 C ATOM 1392 O ARG A 91 11.317 1.558 3.689 1.00 0.00 O ATOM 1393 CB ARG A 91 10.491 4.476 4.519 1.00 0.00 C ATOM 1394 CG ARG A 91 9.957 5.197 3.292 1.00 0.00 C ATOM 1395 CD ARG A 91 10.132 6.703 3.410 1.00 0.00 C ATOM 1396 NE ARG A 91 11.534 7.100 3.313 1.00 0.00 N ATOM 1397 CZ ARG A 91 12.005 8.252 3.779 1.00 0.00 C ATOM 1398 NH1 ARG A 91 11.191 9.114 4.371 1.00 0.00 N ATOM 1399 NH2 ARG A 91 13.294 8.542 3.653 1.00 0.00 N ATOM 0 H ARG A 91 10.681 3.277 6.676 1.00 0.00 H new ATOM 0 HA ARG A 91 8.753 3.232 4.750 1.00 0.00 H new ATOM 0 HB2 ARG A 91 10.338 5.106 5.395 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.567 4.338 4.409 1.00 0.00 H new ATOM 0 HG2 ARG A 91 10.476 4.838 2.403 1.00 0.00 H new ATOM 0 HG3 ARG A 91 8.901 4.962 3.161 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.560 7.197 2.625 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.724 7.042 4.362 1.00 0.00 H new ATOM 0 HE ARG A 91 12.187 6.458 2.863 1.00 0.00 H new ATOM 0 HH11 ARG A 91 10.200 8.894 4.470 1.00 0.00 H new ATOM 0 HH12 ARG A 91 11.556 9.997 4.728 1.00 0.00 H new ATOM 0 HH21 ARG A 91 13.923 7.881 3.198 1.00 0.00 H new ATOM 0 HH22 ARG A 91 13.655 9.426 4.011 1.00 0.00 H new ATOM 1413 N TYR A 92 9.348 1.972 2.681 1.00 0.00 N ATOM 1414 CA TYR A 92 9.604 1.067 1.567 1.00 0.00 C ATOM 1415 C TYR A 92 10.926 1.404 0.885 1.00 0.00 C ATOM 1416 O TYR A 92 11.827 0.569 0.809 1.00 0.00 O ATOM 1417 CB TYR A 92 8.461 1.139 0.552 1.00 0.00 C ATOM 1418 CG TYR A 92 8.488 0.024 -0.469 1.00 0.00 C ATOM 1419 CD1 TYR A 92 8.181 -1.282 -0.109 1.00 0.00 C ATOM 1420 CD2 TYR A 92 8.819 0.277 -1.795 1.00 0.00 C ATOM 1421 CE1 TYR A 92 8.205 -2.304 -1.038 1.00 0.00 C ATOM 1422 CE2 TYR A 92 8.844 -0.738 -2.731 1.00 0.00 C ATOM 1423 CZ TYR A 92 8.536 -2.027 -2.348 1.00 0.00 C ATOM 1424 OH TYR A 92 8.560 -3.041 -3.278 1.00 0.00 O ATOM 0 H TYR A 92 8.447 2.449 2.639 1.00 0.00 H new ATOM 0 HA TYR A 92 9.668 0.053 1.962 1.00 0.00 H new ATOM 0 HB2 TYR A 92 7.511 1.110 1.085 1.00 0.00 H new ATOM 0 HB3 TYR A 92 8.506 2.097 0.033 1.00 0.00 H new ATOM 0 HD1 TYR A 92 7.919 -1.502 0.915 1.00 0.00 H new ATOM 0 HD2 TYR A 92 9.061 1.285 -2.099 1.00 0.00 H new ATOM 0 HE1 TYR A 92 7.966 -3.314 -0.740 1.00 0.00 H new ATOM 0 HE2 TYR A 92 9.103 -0.524 -3.757 1.00 0.00 H new ATOM 0 HH TYR A 92 8.082 -2.756 -4.085 1.00 0.00 H new ATOM 1434 N GLN A 93 11.034 2.633 0.391 1.00 0.00 N ATOM 1435 CA GLN A 93 12.246 3.080 -0.285 1.00 0.00 C ATOM 1436 C GLN A 93 12.497 2.266 -1.550 1.00 0.00 C ATOM 1437 O GLN A 93 13.613 1.810 -1.796 1.00 0.00 O ATOM 1438 CB GLN A 93 13.449 2.970 0.653 1.00 0.00 C ATOM 1439 CG GLN A 93 13.352 3.868 1.876 1.00 0.00 C ATOM 1440 CD GLN A 93 14.709 4.200 2.465 1.00 0.00 C ATOM 1441 OE1 GLN A 93 15.597 3.350 2.525 1.00 0.00 O ATOM 1442 NE2 GLN A 93 14.876 5.442 2.904 1.00 0.00 N ATOM 0 H GLN A 93 10.297 3.336 0.446 1.00 0.00 H new ATOM 0 HA GLN A 93 12.109 4.124 -0.568 1.00 0.00 H new ATOM 0 HB2 GLN A 93 13.551 1.935 0.980 1.00 0.00 H new ATOM 0 HB3 GLN A 93 14.354 3.220 0.100 1.00 0.00 H new ATOM 0 HG2 GLN A 93 12.842 4.792 1.604 1.00 0.00 H new ATOM 0 HG3 GLN A 93 12.741 3.378 2.634 1.00 0.00 H new ATOM 0 HE21 GLN A 93 14.112 6.115 2.835 1.00 0.00 H new ATOM 0 HE22 GLN A 93 15.768 5.724 3.311 1.00 0.00 H new ATOM 1451 N GLY A 94 11.449 2.086 -2.349 1.00 0.00 N ATOM 1452 CA GLY A 94 11.577 1.326 -3.579 1.00 0.00 C ATOM 1453 C GLY A 94 10.759 1.914 -4.711 1.00 0.00 C ATOM 1454 O GLY A 94 10.076 2.926 -4.552 1.00 0.00 O ATOM 0 H GLY A 94 10.515 2.453 -2.167 1.00 0.00 H new ATOM 0 HA2 GLY A 94 12.626 1.291 -3.873 1.00 0.00 H new ATOM 0 HA3 GLY A 94 11.261 0.298 -3.402 1.00 0.00 H new ATOM 1458 N PRO A 95 10.824 1.274 -5.888 1.00 0.00 N ATOM 1459 CA PRO A 95 10.090 1.723 -7.075 1.00 0.00 C ATOM 1460 C PRO A 95 8.585 1.522 -6.938 1.00 0.00 C ATOM 1461 O PRO A 95 7.826 1.783 -7.871 1.00 0.00 O ATOM 1462 CB PRO A 95 10.648 0.838 -8.193 1.00 0.00 C ATOM 1463 CG PRO A 95 11.129 -0.390 -7.499 1.00 0.00 C ATOM 1464 CD PRO A 95 11.617 0.061 -6.150 1.00 0.00 C ATOM 0 HA PRO A 95 10.218 2.791 -7.253 1.00 0.00 H new ATOM 0 HB2 PRO A 95 9.881 0.601 -8.931 1.00 0.00 H new ATOM 0 HB3 PRO A 95 11.459 1.336 -8.725 1.00 0.00 H new ATOM 0 HG2 PRO A 95 10.327 -1.121 -7.399 1.00 0.00 H new ATOM 0 HG3 PRO A 95 11.929 -0.869 -8.063 1.00 0.00 H new ATOM 0 HD2 PRO A 95 11.451 -0.700 -5.388 1.00 0.00 H new ATOM 0 HD3 PRO A 95 12.686 0.274 -6.160 1.00 0.00 H new ATOM 1472 N ARG A 96 8.160 1.057 -5.768 1.00 0.00 N ATOM 1473 CA ARG A 96 6.745 0.820 -5.508 1.00 0.00 C ATOM 1474 C ARG A 96 6.101 0.056 -6.662 1.00 0.00 C ATOM 1475 O ARG A 96 5.022 0.417 -7.135 1.00 0.00 O ATOM 1476 CB ARG A 96 6.015 2.147 -5.291 1.00 0.00 C ATOM 1477 CG ARG A 96 6.027 3.055 -6.510 1.00 0.00 C ATOM 1478 CD ARG A 96 5.061 4.219 -6.346 1.00 0.00 C ATOM 1479 NE ARG A 96 5.248 5.234 -7.380 1.00 0.00 N ATOM 1480 CZ ARG A 96 6.297 6.048 -7.429 1.00 0.00 C ATOM 1481 NH1 ARG A 96 7.247 5.967 -6.508 1.00 0.00 N ATOM 1482 NH2 ARG A 96 6.396 6.946 -8.401 1.00 0.00 N ATOM 0 H ARG A 96 8.775 0.837 -4.985 1.00 0.00 H new ATOM 0 HA ARG A 96 6.664 0.216 -4.604 1.00 0.00 H new ATOM 0 HB2 ARG A 96 4.982 1.942 -5.011 1.00 0.00 H new ATOM 0 HB3 ARG A 96 6.474 2.672 -4.453 1.00 0.00 H new ATOM 0 HG2 ARG A 96 7.035 3.437 -6.671 1.00 0.00 H new ATOM 0 HG3 ARG A 96 5.759 2.480 -7.396 1.00 0.00 H new ATOM 0 HD2 ARG A 96 4.037 3.848 -6.383 1.00 0.00 H new ATOM 0 HD3 ARG A 96 5.201 4.671 -5.364 1.00 0.00 H new ATOM 0 HE ARG A 96 4.535 5.323 -8.104 1.00 0.00 H new ATOM 0 HH11 ARG A 96 7.174 5.278 -5.759 1.00 0.00 H new ATOM 0 HH12 ARG A 96 8.051 6.593 -6.548 1.00 0.00 H new ATOM 0 HH21 ARG A 96 5.667 7.012 -9.111 1.00 0.00 H new ATOM 0 HH22 ARG A 96 7.201 7.571 -8.438 1.00 0.00 H new ATOM 1496 N THR A 97 6.770 -1.001 -7.112 1.00 0.00 N ATOM 1497 CA THR A 97 6.265 -1.814 -8.211 1.00 0.00 C ATOM 1498 C THR A 97 5.776 -3.169 -7.712 1.00 0.00 C ATOM 1499 O THR A 97 6.364 -3.758 -6.805 1.00 0.00 O ATOM 1500 CB THR A 97 7.343 -2.035 -9.288 1.00 0.00 C ATOM 1501 OG1 THR A 97 8.588 -2.384 -8.671 1.00 0.00 O ATOM 1502 CG2 THR A 97 7.525 -0.785 -10.136 1.00 0.00 C ATOM 0 H THR A 97 7.663 -1.314 -6.732 1.00 0.00 H new ATOM 0 HA THR A 97 5.430 -1.268 -8.650 1.00 0.00 H new ATOM 0 HB THR A 97 7.017 -2.850 -9.935 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.915 -3.228 -9.048 1.00 0.00 H new ATOM 0 HG21 THR A 97 8.291 -0.965 -10.890 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.584 -0.538 -10.627 1.00 0.00 H new ATOM 0 HG23 THR A 97 7.830 0.045 -9.499 1.00 0.00 H new ATOM 1510 N LYS A 98 4.695 -3.659 -8.310 1.00 0.00 N ATOM 1511 CA LYS A 98 4.127 -4.947 -7.929 1.00 0.00 C ATOM 1512 C LYS A 98 5.226 -5.943 -7.574 1.00 0.00 C ATOM 1513 O LYS A 98 5.336 -6.381 -6.429 1.00 0.00 O ATOM 1514 CB LYS A 98 3.266 -5.504 -9.065 1.00 0.00 C ATOM 1515 CG LYS A 98 2.108 -6.361 -8.586 1.00 0.00 C ATOM 1516 CD LYS A 98 1.608 -7.287 -9.682 1.00 0.00 C ATOM 1517 CE LYS A 98 2.330 -8.625 -9.655 1.00 0.00 C ATOM 1518 NZ LYS A 98 1.708 -9.611 -10.581 1.00 0.00 N ATOM 0 H LYS A 98 4.195 -3.183 -9.061 1.00 0.00 H new ATOM 0 HA LYS A 98 3.502 -4.794 -7.049 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.874 -4.674 -9.653 1.00 0.00 H new ATOM 0 HB3 LYS A 98 3.895 -6.096 -9.729 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.423 -6.951 -7.725 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.293 -5.719 -8.251 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.537 -7.448 -9.563 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.753 -6.814 -10.653 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.375 -8.479 -9.929 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.319 -9.023 -8.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.230 -10.509 -10.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 0.718 -9.770 -10.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 1.741 -9.243 -11.553 1.00 0.00 H new ATOM 1532 N LYS A 99 6.039 -6.297 -8.563 1.00 0.00 N ATOM 1533 CA LYS A 99 7.132 -7.240 -8.356 1.00 0.00 C ATOM 1534 C LYS A 99 7.936 -6.875 -7.112 1.00 0.00 C ATOM 1535 O LYS A 99 7.980 -7.635 -6.145 1.00 0.00 O ATOM 1536 CB LYS A 99 8.050 -7.265 -9.580 1.00 0.00 C ATOM 1537 CG LYS A 99 9.343 -8.029 -9.355 1.00 0.00 C ATOM 1538 CD LYS A 99 10.477 -7.468 -10.197 1.00 0.00 C ATOM 1539 CE LYS A 99 11.249 -6.393 -9.447 1.00 0.00 C ATOM 1540 NZ LYS A 99 12.610 -6.189 -10.016 1.00 0.00 N ATOM 0 H LYS A 99 5.962 -5.945 -9.517 1.00 0.00 H new ATOM 0 HA LYS A 99 6.702 -8.231 -8.212 1.00 0.00 H new ATOM 0 HB2 LYS A 99 7.514 -7.713 -10.417 1.00 0.00 H new ATOM 0 HB3 LYS A 99 8.288 -6.241 -9.866 1.00 0.00 H new ATOM 0 HG2 LYS A 99 9.615 -7.983 -8.300 1.00 0.00 H new ATOM 0 HG3 LYS A 99 9.193 -9.080 -9.600 1.00 0.00 H new ATOM 0 HD2 LYS A 99 11.155 -8.274 -10.480 1.00 0.00 H new ATOM 0 HD3 LYS A 99 10.074 -7.051 -11.120 1.00 0.00 H new ATOM 0 HE2 LYS A 99 10.695 -5.455 -9.485 1.00 0.00 H new ATOM 0 HE3 LYS A 99 11.332 -6.672 -8.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 13.104 -5.449 -9.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 13.148 -7.077 -9.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 12.530 -5.898 -11.011 1.00 0.00 H new ATOM 1554 N ASP A 100 8.570 -5.708 -7.144 1.00 0.00 N ATOM 1555 CA ASP A 100 9.371 -5.242 -6.018 1.00 0.00 C ATOM 1556 C ASP A 100 8.701 -5.592 -4.693 1.00 0.00 C ATOM 1557 O ASP A 100 9.272 -6.304 -3.866 1.00 0.00 O ATOM 1558 CB ASP A 100 9.587 -3.730 -6.110 1.00 0.00 C ATOM 1559 CG ASP A 100 10.734 -3.365 -7.031 1.00 0.00 C ATOM 1560 OD1 ASP A 100 10.637 -3.651 -8.243 1.00 0.00 O ATOM 1561 OD2 ASP A 100 11.729 -2.791 -6.540 1.00 0.00 O ATOM 0 H ASP A 100 8.545 -5.067 -7.937 1.00 0.00 H new ATOM 0 HA ASP A 100 10.338 -5.743 -6.059 1.00 0.00 H new ATOM 0 HB2 ASP A 100 8.673 -3.256 -6.467 1.00 0.00 H new ATOM 0 HB3 ASP A 100 9.784 -3.333 -5.114 1.00 0.00 H new ATOM 1566 N PHE A 101 7.488 -5.087 -4.497 1.00 0.00 N ATOM 1567 CA PHE A 101 6.741 -5.345 -3.271 1.00 0.00 C ATOM 1568 C PHE A 101 6.965 -6.775 -2.789 1.00 0.00 C ATOM 1569 O PHE A 101 7.532 -6.999 -1.719 1.00 0.00 O ATOM 1570 CB PHE A 101 5.248 -5.099 -3.497 1.00 0.00 C ATOM 1571 CG PHE A 101 4.900 -3.649 -3.680 1.00 0.00 C ATOM 1572 CD1 PHE A 101 5.500 -2.675 -2.898 1.00 0.00 C ATOM 1573 CD2 PHE A 101 3.974 -3.260 -4.634 1.00 0.00 C ATOM 1574 CE1 PHE A 101 5.181 -1.341 -3.063 1.00 0.00 C ATOM 1575 CE2 PHE A 101 3.651 -1.927 -4.805 1.00 0.00 C ATOM 1576 CZ PHE A 101 4.257 -0.966 -4.019 1.00 0.00 C ATOM 0 H PHE A 101 7.001 -4.497 -5.171 1.00 0.00 H new ATOM 0 HA PHE A 101 7.103 -4.661 -2.504 1.00 0.00 H new ATOM 0 HB2 PHE A 101 4.925 -5.656 -4.377 1.00 0.00 H new ATOM 0 HB3 PHE A 101 4.690 -5.494 -2.648 1.00 0.00 H new ATOM 0 HD1 PHE A 101 6.225 -2.962 -2.151 1.00 0.00 H new ATOM 0 HD2 PHE A 101 3.499 -4.007 -5.252 1.00 0.00 H new ATOM 0 HE1 PHE A 101 5.654 -0.592 -2.445 1.00 0.00 H new ATOM 0 HE2 PHE A 101 2.926 -1.637 -5.552 1.00 0.00 H new ATOM 0 HZ PHE A 101 4.009 0.077 -4.152 1.00 0.00 H new ATOM 1586 N ILE A 102 6.515 -7.739 -3.585 1.00 0.00 N ATOM 1587 CA ILE A 102 6.667 -9.147 -3.241 1.00 0.00 C ATOM 1588 C ILE A 102 7.979 -9.395 -2.504 1.00 0.00 C ATOM 1589 O ILE A 102 7.984 -9.764 -1.331 1.00 0.00 O ATOM 1590 CB ILE A 102 6.617 -10.042 -4.493 1.00 0.00 C ATOM 1591 CG1 ILE A 102 5.215 -10.023 -5.105 1.00 0.00 C ATOM 1592 CG2 ILE A 102 7.030 -11.464 -4.145 1.00 0.00 C ATOM 1593 CD1 ILE A 102 5.058 -9.019 -6.225 1.00 0.00 C ATOM 0 H ILE A 102 6.042 -7.570 -4.473 1.00 0.00 H new ATOM 0 HA ILE A 102 5.833 -9.403 -2.588 1.00 0.00 H new ATOM 0 HB ILE A 102 7.319 -9.651 -5.229 1.00 0.00 H new ATOM 0 HG12 ILE A 102 4.979 -11.017 -5.484 1.00 0.00 H new ATOM 0 HG13 ILE A 102 4.489 -9.799 -4.323 1.00 0.00 H new ATOM 0 HG21 ILE A 102 6.989 -12.084 -5.040 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.046 -11.462 -3.751 1.00 0.00 H new ATOM 0 HG23 ILE A 102 6.351 -11.867 -3.394 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.040 -9.061 -6.611 1.00 0.00 H new ATOM 0 HD12 ILE A 102 5.262 -8.017 -5.847 1.00 0.00 H new ATOM 0 HD13 ILE A 102 5.759 -9.254 -7.025 1.00 0.00 H new ATOM 1605 N ASN A 103 9.091 -9.187 -3.202 1.00 0.00 N ATOM 1606 CA ASN A 103 10.411 -9.386 -2.614 1.00 0.00 C ATOM 1607 C ASN A 103 10.538 -8.631 -1.294 1.00 0.00 C ATOM 1608 O ASN A 103 11.041 -9.167 -0.306 1.00 0.00 O ATOM 1609 CB ASN A 103 11.499 -8.925 -3.585 1.00 0.00 C ATOM 1610 CG ASN A 103 11.210 -9.337 -5.016 1.00 0.00 C ATOM 1611 OD1 ASN A 103 10.963 -10.510 -5.298 1.00 0.00 O ATOM 1612 ND2 ASN A 103 11.240 -8.371 -5.927 1.00 0.00 N ATOM 0 H ASN A 103 9.104 -8.881 -4.175 1.00 0.00 H new ATOM 0 HA ASN A 103 10.537 -10.451 -2.417 1.00 0.00 H new ATOM 0 HB2 ASN A 103 11.592 -7.840 -3.534 1.00 0.00 H new ATOM 0 HB3 ASN A 103 12.458 -9.342 -3.276 1.00 0.00 H new ATOM 0 HD21 ASN A 103 11.054 -8.587 -6.906 1.00 0.00 H new ATOM 0 HD22 ASN A 103 11.449 -7.413 -5.647 1.00 0.00 H new ATOM 1619 N PHE A 104 10.078 -7.384 -1.286 1.00 0.00 N ATOM 1620 CA PHE A 104 10.141 -6.555 -0.088 1.00 0.00 C ATOM 1621 C PHE A 104 9.436 -7.235 1.082 1.00 0.00 C ATOM 1622 O PHE A 104 9.643 -6.873 2.241 1.00 0.00 O ATOM 1623 CB PHE A 104 9.507 -5.188 -0.355 1.00 0.00 C ATOM 1624 CG PHE A 104 9.479 -4.294 0.852 1.00 0.00 C ATOM 1625 CD1 PHE A 104 10.635 -3.673 1.298 1.00 0.00 C ATOM 1626 CD2 PHE A 104 8.298 -4.076 1.542 1.00 0.00 C ATOM 1627 CE1 PHE A 104 10.613 -2.850 2.408 1.00 0.00 C ATOM 1628 CE2 PHE A 104 8.269 -3.253 2.652 1.00 0.00 C ATOM 1629 CZ PHE A 104 9.428 -2.641 3.086 1.00 0.00 C ATOM 0 H PHE A 104 9.658 -6.926 -2.095 1.00 0.00 H new ATOM 0 HA PHE A 104 11.190 -6.417 0.174 1.00 0.00 H new ATOM 0 HB2 PHE A 104 10.058 -4.690 -1.153 1.00 0.00 H new ATOM 0 HB3 PHE A 104 8.488 -5.333 -0.714 1.00 0.00 H new ATOM 0 HD1 PHE A 104 11.564 -3.834 0.772 1.00 0.00 H new ATOM 0 HD2 PHE A 104 7.389 -4.555 1.209 1.00 0.00 H new ATOM 0 HE1 PHE A 104 11.521 -2.371 2.745 1.00 0.00 H new ATOM 0 HE2 PHE A 104 7.341 -3.089 3.179 1.00 0.00 H new ATOM 0 HZ PHE A 104 9.408 -2.000 3.955 1.00 0.00 H new ATOM 1639 N ILE A 105 8.602 -8.221 0.770 1.00 0.00 N ATOM 1640 CA ILE A 105 7.867 -8.952 1.794 1.00 0.00 C ATOM 1641 C ILE A 105 8.489 -10.322 2.046 1.00 0.00 C ATOM 1642 O ILE A 105 8.730 -10.705 3.190 1.00 0.00 O ATOM 1643 CB ILE A 105 6.389 -9.137 1.403 1.00 0.00 C ATOM 1644 CG1 ILE A 105 5.712 -7.776 1.225 1.00 0.00 C ATOM 1645 CG2 ILE A 105 5.661 -9.962 2.454 1.00 0.00 C ATOM 1646 CD1 ILE A 105 5.743 -6.918 2.471 1.00 0.00 C ATOM 0 H ILE A 105 8.419 -8.532 -0.184 1.00 0.00 H new ATOM 0 HA ILE A 105 7.922 -8.357 2.706 1.00 0.00 H new ATOM 0 HB ILE A 105 6.344 -9.672 0.454 1.00 0.00 H new ATOM 0 HG12 ILE A 105 6.201 -7.240 0.412 1.00 0.00 H new ATOM 0 HG13 ILE A 105 4.675 -7.931 0.926 1.00 0.00 H new ATOM 0 HG21 ILE A 105 4.618 -10.084 2.163 1.00 0.00 H new ATOM 0 HG22 ILE A 105 6.131 -10.942 2.537 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.712 -9.452 3.416 1.00 0.00 H new ATOM 0 HD11 ILE A 105 5.246 -5.969 2.272 1.00 0.00 H new ATOM 0 HD12 ILE A 105 5.228 -7.434 3.281 1.00 0.00 H new ATOM 0 HD13 ILE A 105 6.778 -6.732 2.759 1.00 0.00 H new ATOM 1658 N SER A 106 8.748 -11.055 0.968 1.00 0.00 N ATOM 1659 CA SER A 106 9.340 -12.383 1.071 1.00 0.00 C ATOM 1660 C SER A 106 10.819 -12.292 1.433 1.00 0.00 C ATOM 1661 O SER A 106 11.289 -12.967 2.349 1.00 0.00 O ATOM 1662 CB SER A 106 9.172 -13.144 -0.246 1.00 0.00 C ATOM 1663 OG SER A 106 9.660 -12.385 -1.339 1.00 0.00 O ATOM 0 H SER A 106 8.557 -10.751 0.013 1.00 0.00 H new ATOM 0 HA SER A 106 8.822 -12.924 1.863 1.00 0.00 H new ATOM 0 HB2 SER A 106 9.705 -14.093 -0.192 1.00 0.00 H new ATOM 0 HB3 SER A 106 8.119 -13.378 -0.403 1.00 0.00 H new ATOM 0 HG SER A 106 9.543 -12.893 -2.169 1.00 0.00 H new ATOM 1669 N ASP A 107 11.549 -11.452 0.707 1.00 0.00 N ATOM 1670 CA ASP A 107 12.975 -11.269 0.951 1.00 0.00 C ATOM 1671 C ASP A 107 13.209 -10.357 2.151 1.00 0.00 C ATOM 1672 O ASP A 107 14.329 -9.910 2.396 1.00 0.00 O ATOM 1673 CB ASP A 107 13.656 -10.687 -0.289 1.00 0.00 C ATOM 1674 CG ASP A 107 13.645 -11.648 -1.461 1.00 0.00 C ATOM 1675 OD1 ASP A 107 13.733 -12.871 -1.225 1.00 0.00 O ATOM 1676 OD2 ASP A 107 13.551 -11.177 -2.614 1.00 0.00 O ATOM 0 H ASP A 107 11.176 -10.887 -0.056 1.00 0.00 H new ATOM 0 HA ASP A 107 13.409 -12.245 1.170 1.00 0.00 H new ATOM 0 HB2 ASP A 107 13.154 -9.763 -0.576 1.00 0.00 H new ATOM 0 HB3 ASP A 107 14.686 -10.427 -0.046 1.00 0.00 H new ATOM 1681 N LYS A 108 12.143 -10.085 2.897 1.00 0.00 N ATOM 1682 CA LYS A 108 12.231 -9.226 4.072 1.00 0.00 C ATOM 1683 C LYS A 108 13.243 -8.106 3.853 1.00 0.00 C ATOM 1684 O LYS A 108 14.045 -7.801 4.735 1.00 0.00 O ATOM 1685 CB LYS A 108 12.623 -10.049 5.302 1.00 0.00 C ATOM 1686 CG LYS A 108 11.860 -11.356 5.427 1.00 0.00 C ATOM 1687 CD LYS A 108 10.602 -11.191 6.263 1.00 0.00 C ATOM 1688 CE LYS A 108 9.621 -12.328 6.025 1.00 0.00 C ATOM 1689 NZ LYS A 108 9.993 -13.551 6.791 1.00 0.00 N ATOM 0 H LYS A 108 11.208 -10.447 2.708 1.00 0.00 H new ATOM 0 HA LYS A 108 11.251 -8.779 4.238 1.00 0.00 H new ATOM 0 HB2 LYS A 108 13.691 -10.264 5.260 1.00 0.00 H new ATOM 0 HB3 LYS A 108 12.453 -9.452 6.198 1.00 0.00 H new ATOM 0 HG2 LYS A 108 11.593 -11.719 4.434 1.00 0.00 H new ATOM 0 HG3 LYS A 108 12.502 -12.111 5.880 1.00 0.00 H new ATOM 0 HD2 LYS A 108 10.868 -11.154 7.319 1.00 0.00 H new ATOM 0 HD3 LYS A 108 10.125 -10.241 6.021 1.00 0.00 H new ATOM 0 HE2 LYS A 108 8.619 -12.010 6.313 1.00 0.00 H new ATOM 0 HE3 LYS A 108 9.587 -12.562 4.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 9.300 -14.303 6.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 10.939 -13.870 6.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 10.000 -13.335 7.808 1.00 0.00 H new ATOM 1703 N GLU A 109 13.197 -7.495 2.673 1.00 0.00 N ATOM 1704 CA GLU A 109 14.110 -6.408 2.340 1.00 0.00 C ATOM 1705 C GLU A 109 14.093 -5.333 3.423 1.00 0.00 C ATOM 1706 O GLU A 109 15.093 -4.652 3.652 1.00 0.00 O ATOM 1707 CB GLU A 109 13.736 -5.794 0.990 1.00 0.00 C ATOM 1708 CG GLU A 109 13.861 -6.761 -0.175 1.00 0.00 C ATOM 1709 CD GLU A 109 13.769 -6.069 -1.521 1.00 0.00 C ATOM 1710 OE1 GLU A 109 12.959 -5.127 -1.649 1.00 0.00 O ATOM 1711 OE2 GLU A 109 14.506 -6.469 -2.446 1.00 0.00 O ATOM 0 H GLU A 109 12.538 -7.734 1.932 1.00 0.00 H new ATOM 0 HA GLU A 109 15.117 -6.820 2.277 1.00 0.00 H new ATOM 0 HB2 GLU A 109 12.710 -5.428 1.039 1.00 0.00 H new ATOM 0 HB3 GLU A 109 14.374 -4.930 0.804 1.00 0.00 H new ATOM 0 HG2 GLU A 109 14.813 -7.286 -0.105 1.00 0.00 H new ATOM 0 HG3 GLU A 109 13.076 -7.514 -0.103 1.00 0.00 H new ATOM 1718 N TRP A 110 12.951 -5.186 4.085 1.00 0.00 N ATOM 1719 CA TRP A 110 12.803 -4.194 5.143 1.00 0.00 C ATOM 1720 C TRP A 110 13.828 -4.420 6.249 1.00 0.00 C ATOM 1721 O TRP A 110 14.218 -3.485 6.949 1.00 0.00 O ATOM 1722 CB TRP A 110 11.389 -4.244 5.723 1.00 0.00 C ATOM 1723 CG TRP A 110 10.957 -5.623 6.119 1.00 0.00 C ATOM 1724 CD1 TRP A 110 10.259 -6.514 5.355 1.00 0.00 C ATOM 1725 CD2 TRP A 110 11.195 -6.269 7.375 1.00 0.00 C ATOM 1726 NE1 TRP A 110 10.048 -7.674 6.061 1.00 0.00 N ATOM 1727 CE2 TRP A 110 10.613 -7.549 7.302 1.00 0.00 C ATOM 1728 CE3 TRP A 110 11.845 -5.890 8.553 1.00 0.00 C ATOM 1729 CZ2 TRP A 110 10.661 -8.450 8.363 1.00 0.00 C ATOM 1730 CZ3 TRP A 110 11.891 -6.785 9.605 1.00 0.00 C ATOM 1731 CH2 TRP A 110 11.304 -8.053 9.504 1.00 0.00 C ATOM 0 H TRP A 110 12.114 -5.741 3.908 1.00 0.00 H new ATOM 0 HA TRP A 110 12.976 -3.209 4.710 1.00 0.00 H new ATOM 0 HB2 TRP A 110 11.338 -3.591 6.594 1.00 0.00 H new ATOM 0 HB3 TRP A 110 10.688 -3.849 4.987 1.00 0.00 H new ATOM 0 HD1 TRP A 110 9.922 -6.334 4.345 1.00 0.00 H new ATOM 0 HE1 TRP A 110 9.551 -8.495 5.716 1.00 0.00 H new ATOM 0 HE3 TRP A 110 12.303 -4.916 8.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 10.207 -9.427 8.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 12.388 -6.502 10.521 1.00 0.00 H new ATOM 0 HH2 TRP A 110 11.360 -8.731 10.343 1.00 0.00 H new ATOM 1742 N LYS A 111 14.261 -5.667 6.402 1.00 0.00 N ATOM 1743 CA LYS A 111 15.242 -6.017 7.422 1.00 0.00 C ATOM 1744 C LYS A 111 16.537 -5.236 7.222 1.00 0.00 C ATOM 1745 O LYS A 111 17.345 -5.110 8.142 1.00 0.00 O ATOM 1746 CB LYS A 111 15.529 -7.520 7.389 1.00 0.00 C ATOM 1747 CG LYS A 111 14.407 -8.366 7.962 1.00 0.00 C ATOM 1748 CD LYS A 111 14.592 -8.604 9.452 1.00 0.00 C ATOM 1749 CE LYS A 111 13.862 -9.857 9.911 1.00 0.00 C ATOM 1750 NZ LYS A 111 14.577 -11.097 9.501 1.00 0.00 N ATOM 0 H LYS A 111 13.947 -6.453 5.832 1.00 0.00 H new ATOM 0 HA LYS A 111 14.827 -5.754 8.395 1.00 0.00 H new ATOM 0 HB2 LYS A 111 15.712 -7.824 6.358 1.00 0.00 H new ATOM 0 HB3 LYS A 111 16.444 -7.719 7.947 1.00 0.00 H new ATOM 0 HG2 LYS A 111 13.452 -7.871 7.788 1.00 0.00 H new ATOM 0 HG3 LYS A 111 14.370 -9.323 7.442 1.00 0.00 H new ATOM 0 HD2 LYS A 111 15.654 -8.697 9.678 1.00 0.00 H new ATOM 0 HD3 LYS A 111 14.223 -7.742 10.008 1.00 0.00 H new ATOM 0 HE2 LYS A 111 13.758 -9.840 10.996 1.00 0.00 H new ATOM 0 HE3 LYS A 111 12.855 -9.864 9.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 14.157 -11.916 9.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 14.493 -11.222 8.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 15.581 -11.020 9.759 1.00 0.00 H new ATOM 1764 N SER A 112 16.727 -4.713 6.015 1.00 0.00 N ATOM 1765 CA SER A 112 17.925 -3.947 5.694 1.00 0.00 C ATOM 1766 C SER A 112 17.587 -2.475 5.478 1.00 0.00 C ATOM 1767 O SER A 112 18.328 -1.747 4.816 1.00 0.00 O ATOM 1768 CB SER A 112 18.600 -4.515 4.444 1.00 0.00 C ATOM 1769 OG SER A 112 19.772 -3.787 4.121 1.00 0.00 O ATOM 0 H SER A 112 16.066 -4.806 5.243 1.00 0.00 H new ATOM 0 HA SER A 112 18.612 -4.025 6.537 1.00 0.00 H new ATOM 0 HB2 SER A 112 18.853 -5.563 4.608 1.00 0.00 H new ATOM 0 HB3 SER A 112 17.905 -4.482 3.605 1.00 0.00 H new ATOM 0 HG SER A 112 19.574 -2.827 4.131 1.00 0.00 H new ATOM 1775 N ILE A 113 16.462 -2.044 6.040 1.00 0.00 N ATOM 1776 CA ILE A 113 16.026 -0.660 5.910 1.00 0.00 C ATOM 1777 C ILE A 113 15.948 0.022 7.272 1.00 0.00 C ATOM 1778 O ILE A 113 15.435 -0.549 8.234 1.00 0.00 O ATOM 1779 CB ILE A 113 14.651 -0.565 5.222 1.00 0.00 C ATOM 1780 CG1 ILE A 113 14.784 -0.859 3.726 1.00 0.00 C ATOM 1781 CG2 ILE A 113 14.041 0.810 5.445 1.00 0.00 C ATOM 1782 CD1 ILE A 113 13.483 -0.725 2.966 1.00 0.00 C ATOM 0 H ILE A 113 15.837 -2.634 6.589 1.00 0.00 H new ATOM 0 HA ILE A 113 16.768 -0.152 5.294 1.00 0.00 H new ATOM 0 HB ILE A 113 13.988 -1.310 5.662 1.00 0.00 H new ATOM 0 HG12 ILE A 113 15.519 -0.180 3.294 1.00 0.00 H new ATOM 0 HG13 ILE A 113 15.169 -1.870 3.596 1.00 0.00 H new ATOM 0 HG21 ILE A 113 13.070 0.861 4.953 1.00 0.00 H new ATOM 0 HG22 ILE A 113 13.916 0.983 6.514 1.00 0.00 H new ATOM 0 HG23 ILE A 113 14.700 1.572 5.028 1.00 0.00 H new ATOM 0 HD11 ILE A 113 13.652 -0.948 1.913 1.00 0.00 H new ATOM 0 HD12 ILE A 113 12.751 -1.424 3.371 1.00 0.00 H new ATOM 0 HD13 ILE A 113 13.107 0.293 3.066 1.00 0.00 H new ATOM 1794 N GLU A 114 16.458 1.248 7.344 1.00 0.00 N ATOM 1795 CA GLU A 114 16.445 2.008 8.588 1.00 0.00 C ATOM 1796 C GLU A 114 15.036 2.498 8.912 1.00 0.00 C ATOM 1797 O GLU A 114 14.395 3.188 8.120 1.00 0.00 O ATOM 1798 CB GLU A 114 17.402 3.198 8.495 1.00 0.00 C ATOM 1799 CG GLU A 114 18.843 2.848 8.825 1.00 0.00 C ATOM 1800 CD GLU A 114 19.800 3.989 8.541 1.00 0.00 C ATOM 1801 OE1 GLU A 114 19.700 5.031 9.221 1.00 0.00 O ATOM 1802 OE2 GLU A 114 20.651 3.839 7.639 1.00 0.00 O ATOM 0 H GLU A 114 16.885 1.735 6.556 1.00 0.00 H new ATOM 0 HA GLU A 114 16.775 1.348 9.390 1.00 0.00 H new ATOM 0 HB2 GLU A 114 17.359 3.610 7.487 1.00 0.00 H new ATOM 0 HB3 GLU A 114 17.062 3.980 9.174 1.00 0.00 H new ATOM 0 HG2 GLU A 114 18.914 2.572 9.877 1.00 0.00 H new ATOM 0 HG3 GLU A 114 19.143 1.975 8.246 1.00 0.00 H new ATOM 1809 N PRO A 115 14.543 2.132 10.104 1.00 0.00 N ATOM 1810 CA PRO A 115 13.206 2.523 10.560 1.00 0.00 C ATOM 1811 C PRO A 115 13.110 4.013 10.868 1.00 0.00 C ATOM 1812 O PRO A 115 14.112 4.728 10.840 1.00 0.00 O ATOM 1813 CB PRO A 115 13.012 1.700 11.837 1.00 0.00 C ATOM 1814 CG PRO A 115 14.393 1.431 12.327 1.00 0.00 C ATOM 1815 CD PRO A 115 15.252 1.310 11.099 1.00 0.00 C ATOM 0 HA PRO A 115 12.447 2.341 9.799 1.00 0.00 H new ATOM 0 HB2 PRO A 115 12.429 2.249 12.577 1.00 0.00 H new ATOM 0 HB3 PRO A 115 12.477 0.773 11.633 1.00 0.00 H new ATOM 0 HG2 PRO A 115 14.743 2.238 12.970 1.00 0.00 H new ATOM 0 HG3 PRO A 115 14.426 0.516 12.918 1.00 0.00 H new ATOM 0 HD2 PRO A 115 16.262 1.678 11.278 1.00 0.00 H new ATOM 0 HD3 PRO A 115 15.343 0.274 10.773 1.00 0.00 H new ATOM 1823 N VAL A 116 11.899 4.476 11.162 1.00 0.00 N ATOM 1824 CA VAL A 116 11.674 5.882 11.477 1.00 0.00 C ATOM 1825 C VAL A 116 11.611 6.104 12.984 1.00 0.00 C ATOM 1826 O VAL A 116 11.446 5.159 13.755 1.00 0.00 O ATOM 1827 CB VAL A 116 10.371 6.398 10.838 1.00 0.00 C ATOM 1828 CG1 VAL A 116 10.466 6.352 9.320 1.00 0.00 C ATOM 1829 CG2 VAL A 116 9.180 5.590 11.330 1.00 0.00 C ATOM 0 H VAL A 116 11.059 3.898 11.189 1.00 0.00 H new ATOM 0 HA VAL A 116 12.517 6.438 11.066 1.00 0.00 H new ATOM 0 HB VAL A 116 10.226 7.436 11.138 1.00 0.00 H new ATOM 0 HG11 VAL A 116 9.536 6.720 8.886 1.00 0.00 H new ATOM 0 HG12 VAL A 116 11.294 6.978 8.988 1.00 0.00 H new ATOM 0 HG13 VAL A 116 10.635 5.325 8.997 1.00 0.00 H new ATOM 0 HG21 VAL A 116 8.268 5.968 10.868 1.00 0.00 H new ATOM 0 HG22 VAL A 116 9.315 4.542 11.061 1.00 0.00 H new ATOM 0 HG23 VAL A 116 9.102 5.680 12.414 1.00 0.00 H new ATOM 1839 N SER A 117 11.742 7.361 13.397 1.00 0.00 N ATOM 1840 CA SER A 117 11.703 7.708 14.813 1.00 0.00 C ATOM 1841 C SER A 117 10.609 6.926 15.534 1.00 0.00 C ATOM 1842 O SER A 117 9.614 6.527 14.929 1.00 0.00 O ATOM 1843 CB SER A 117 11.470 9.210 14.985 1.00 0.00 C ATOM 1844 OG SER A 117 12.602 9.953 14.568 1.00 0.00 O ATOM 0 H SER A 117 11.876 8.155 12.771 1.00 0.00 H new ATOM 0 HA SER A 117 12.664 7.444 15.253 1.00 0.00 H new ATOM 0 HB2 SER A 117 10.598 9.514 14.406 1.00 0.00 H new ATOM 0 HB3 SER A 117 11.252 9.430 16.030 1.00 0.00 H new ATOM 0 HG SER A 117 12.427 10.910 14.686 1.00 0.00 H new ATOM 1850 N SER A 118 10.802 6.711 16.832 1.00 0.00 N ATOM 1851 CA SER A 118 9.834 5.974 17.636 1.00 0.00 C ATOM 1852 C SER A 118 8.409 6.390 17.287 1.00 0.00 C ATOM 1853 O SER A 118 8.178 7.484 16.773 1.00 0.00 O ATOM 1854 CB SER A 118 10.096 6.206 19.125 1.00 0.00 C ATOM 1855 OG SER A 118 9.234 5.413 19.924 1.00 0.00 O ATOM 0 H SER A 118 11.619 7.036 17.349 1.00 0.00 H new ATOM 0 HA SER A 118 9.947 4.913 17.415 1.00 0.00 H new ATOM 0 HB2 SER A 118 11.134 5.967 19.356 1.00 0.00 H new ATOM 0 HB3 SER A 118 9.951 7.260 19.363 1.00 0.00 H new ATOM 0 HG SER A 118 9.422 5.578 20.871 1.00 0.00 H new ATOM 1861 N TRP A 119 7.456 5.509 17.572 1.00 0.00 N ATOM 1862 CA TRP A 119 6.052 5.784 17.288 1.00 0.00 C ATOM 1863 C TRP A 119 5.319 6.228 18.550 1.00 0.00 C ATOM 1864 O TRP A 119 4.987 5.409 19.407 1.00 0.00 O ATOM 1865 CB TRP A 119 5.377 4.543 16.701 1.00 0.00 C ATOM 1866 CG TRP A 119 3.880 4.624 16.704 1.00 0.00 C ATOM 1867 CD1 TRP A 119 3.041 4.255 17.716 1.00 0.00 C ATOM 1868 CD2 TRP A 119 3.046 5.104 15.643 1.00 0.00 C ATOM 1869 NE1 TRP A 119 1.735 4.475 17.349 1.00 0.00 N ATOM 1870 CE2 TRP A 119 1.712 4.996 16.082 1.00 0.00 C ATOM 1871 CE3 TRP A 119 3.296 5.615 14.367 1.00 0.00 C ATOM 1872 CZ2 TRP A 119 0.634 5.381 15.288 1.00 0.00 C ATOM 1873 CZ3 TRP A 119 2.226 5.995 13.580 1.00 0.00 C ATOM 1874 CH2 TRP A 119 0.909 5.877 14.043 1.00 0.00 C ATOM 0 H TRP A 119 7.630 4.599 17.999 1.00 0.00 H new ATOM 0 HA TRP A 119 6.005 6.593 16.559 1.00 0.00 H new ATOM 0 HB2 TRP A 119 5.724 4.399 15.678 1.00 0.00 H new ATOM 0 HB3 TRP A 119 5.688 3.666 17.269 1.00 0.00 H new ATOM 0 HD1 TRP A 119 3.357 3.850 18.666 1.00 0.00 H new ATOM 0 HE1 TRP A 119 0.916 4.282 17.926 1.00 0.00 H new ATOM 0 HE3 TRP A 119 4.308 5.711 14.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -0.382 5.291 15.643 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 2.408 6.390 12.591 1.00 0.00 H new ATOM 0 HH2 TRP A 119 0.094 6.184 13.404 1.00 0.00 H new ATOM 1885 N PHE A 120 5.069 7.529 18.656 1.00 0.00 N ATOM 1886 CA PHE A 120 4.376 8.081 19.814 1.00 0.00 C ATOM 1887 C PHE A 120 3.118 8.832 19.387 1.00 0.00 C ATOM 1888 O PHE A 120 3.101 10.062 19.344 1.00 0.00 O ATOM 1889 CB PHE A 120 5.303 9.017 20.592 1.00 0.00 C ATOM 1890 CG PHE A 120 4.935 9.157 22.041 1.00 0.00 C ATOM 1891 CD1 PHE A 120 3.662 9.561 22.411 1.00 0.00 C ATOM 1892 CD2 PHE A 120 5.862 8.886 23.034 1.00 0.00 C ATOM 1893 CE1 PHE A 120 3.321 9.691 23.744 1.00 0.00 C ATOM 1894 CE2 PHE A 120 5.527 9.014 24.369 1.00 0.00 C ATOM 1895 CZ PHE A 120 4.254 9.416 24.724 1.00 0.00 C ATOM 0 H PHE A 120 5.336 8.220 17.955 1.00 0.00 H new ATOM 0 HA PHE A 120 4.083 7.253 20.459 1.00 0.00 H new ATOM 0 HB2 PHE A 120 6.325 8.646 20.519 1.00 0.00 H new ATOM 0 HB3 PHE A 120 5.287 10.002 20.125 1.00 0.00 H new ATOM 0 HD1 PHE A 120 2.928 9.777 21.649 1.00 0.00 H new ATOM 0 HD2 PHE A 120 6.859 8.571 22.762 1.00 0.00 H new ATOM 0 HE1 PHE A 120 2.326 10.007 24.019 1.00 0.00 H new ATOM 0 HE2 PHE A 120 6.259 8.800 25.133 1.00 0.00 H new ATOM 0 HZ PHE A 120 3.989 9.515 25.766 1.00 0.00 H new ATOM 1905 N SER A 121 2.066 8.082 19.072 1.00 0.00 N ATOM 1906 CA SER A 121 0.805 8.676 18.645 1.00 0.00 C ATOM 1907 C SER A 121 -0.367 8.077 19.417 1.00 0.00 C ATOM 1908 O SER A 121 -0.568 6.863 19.419 1.00 0.00 O ATOM 1909 CB SER A 121 0.601 8.465 17.143 1.00 0.00 C ATOM 1910 OG SER A 121 1.556 9.194 16.392 1.00 0.00 O ATOM 0 H SER A 121 2.063 7.063 19.105 1.00 0.00 H new ATOM 0 HA SER A 121 0.846 9.745 18.853 1.00 0.00 H new ATOM 0 HB2 SER A 121 0.681 7.404 16.907 1.00 0.00 H new ATOM 0 HB3 SER A 121 -0.404 8.779 16.862 1.00 0.00 H new ATOM 0 HG SER A 121 1.624 8.813 15.492 1.00 0.00 H new ATOM 1916 N GLY A 122 -1.137 8.939 20.073 1.00 0.00 N ATOM 1917 CA GLY A 122 -2.279 8.479 20.841 1.00 0.00 C ATOM 1918 C GLY A 122 -3.133 9.622 21.354 1.00 0.00 C ATOM 1919 O GLY A 122 -4.007 10.134 20.654 1.00 0.00 O ATOM 0 H GLY A 122 -0.990 9.948 20.086 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -2.890 7.824 20.220 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -1.929 7.884 21.685 1.00 0.00 H new ATOM 1923 N PRO A 123 -2.883 10.037 22.604 1.00 0.00 N ATOM 1924 CA PRO A 123 -3.626 11.130 23.238 1.00 0.00 C ATOM 1925 C PRO A 123 -3.303 12.486 22.619 1.00 0.00 C ATOM 1926 O PRO A 123 -2.174 12.732 22.193 1.00 0.00 O ATOM 1927 CB PRO A 123 -3.155 11.082 24.694 1.00 0.00 C ATOM 1928 CG PRO A 123 -1.806 10.452 24.635 1.00 0.00 C ATOM 1929 CD PRO A 123 -1.856 9.472 23.496 1.00 0.00 C ATOM 0 HA PRO A 123 -4.703 11.012 23.120 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -3.107 12.081 25.128 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -3.838 10.499 25.312 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -1.032 11.202 24.471 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -1.569 9.949 25.572 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -0.891 9.388 22.996 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -2.126 8.473 23.837 1.00 0.00 H new ATOM 1937 N SER A 124 -4.301 13.363 22.572 1.00 0.00 N ATOM 1938 CA SER A 124 -4.124 14.693 22.002 1.00 0.00 C ATOM 1939 C SER A 124 -3.264 15.564 22.912 1.00 0.00 C ATOM 1940 O SER A 124 -2.298 16.184 22.466 1.00 0.00 O ATOM 1941 CB SER A 124 -5.482 15.358 21.774 1.00 0.00 C ATOM 1942 OG SER A 124 -5.329 16.652 21.217 1.00 0.00 O ATOM 0 H SER A 124 -5.241 13.176 22.922 1.00 0.00 H new ATOM 0 HA SER A 124 -3.615 14.586 21.044 1.00 0.00 H new ATOM 0 HB2 SER A 124 -6.085 14.741 21.108 1.00 0.00 H new ATOM 0 HB3 SER A 124 -6.020 15.427 22.719 1.00 0.00 H new ATOM 0 HG SER A 124 -6.211 17.055 21.079 1.00 0.00 H new ATOM 1948 N SER A 125 -3.622 15.607 24.191 1.00 0.00 N ATOM 1949 CA SER A 125 -2.887 16.405 25.165 1.00 0.00 C ATOM 1950 C SER A 125 -1.508 15.807 25.427 1.00 0.00 C ATOM 1951 O SER A 125 -1.234 14.665 25.061 1.00 0.00 O ATOM 1952 CB SER A 125 -3.671 16.499 26.475 1.00 0.00 C ATOM 1953 OG SER A 125 -4.716 17.452 26.377 1.00 0.00 O ATOM 0 H SER A 125 -4.417 15.098 24.577 1.00 0.00 H new ATOM 0 HA SER A 125 -2.758 17.406 24.754 1.00 0.00 H new ATOM 0 HB2 SER A 125 -4.087 15.523 26.724 1.00 0.00 H new ATOM 0 HB3 SER A 125 -2.998 16.775 27.286 1.00 0.00 H new ATOM 0 HG SER A 125 -5.203 17.492 27.226 1.00 0.00 H new ATOM 1959 N GLY A 126 -0.642 16.590 26.063 1.00 0.00 N ATOM 1960 CA GLY A 126 0.699 16.122 26.364 1.00 0.00 C ATOM 1961 C GLY A 126 1.763 16.876 25.591 1.00 0.00 C ATOM 1962 O GLY A 126 2.016 16.583 24.422 1.00 0.00 O ATOM 0 H GLY A 126 -0.845 17.540 26.375 1.00 0.00 H new ATOM 0 HA2 GLY A 126 0.886 16.228 27.432 1.00 0.00 H new ATOM 0 HA3 GLY A 126 0.770 15.059 26.132 1.00 0.00 H new TER 1966 GLY A 126