USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 408 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 14 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 30 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00133) USER MOD Single : A 1 VAL N :NH3+ -128:sc= -0.0662 (180deg=-0.441) USER MOD Single : A 5 TYR OH : rot -58:sc= 1.26 USER MOD Single : A 8 GLN : amide:sc= 1.13 K(o=1.1,f=-0.014) USER MOD Single : A 11 ASN : amide:sc= 1.46 K(o=1.5,f=-6.4!) USER MOD Single : A 12 CYS SG : rot 40:sc= 0.779 USER MOD Single : A 15 HIS : no HD1:sc= -0.481 X(o=-0.48,f=-0.0084) USER MOD Single : A 20 SER OG : rot -67:sc= 0.957 USER MOD Single : A 21 SER OG : rot -81:sc= 0.18 USER MOD Single : A 25 THR OG1 : rot 96:sc= 1.22 USER MOD Single : A 28 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00971) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0188 USER MOD Single : A 34 SER OG : rot 6:sc= 1.23 USER MOD Single : A 36 HIS :FLIP no HE2:sc= -0.891 F(o=-2.2,f=-0.89) USER MOD Single : A 40 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0124) USER MOD Single : A 43 HIS : no HD1:sc= -0.122 X(o=-0.12,f=-0.079) USER MOD Single : A 50 ASN : amide:sc= 0.961 K(o=0.96,f=-3.6!) USER MOD Single : A 55 ASN : amide:sc=-0.00241 K(o=-0.0024,f=-2) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 7.163 12.470 5.723 1.00 0.00 N ATOM 2 CA VAL A 1 6.807 11.116 5.229 1.00 0.00 C ATOM 3 C VAL A 1 5.916 10.408 6.226 1.00 0.00 C ATOM 4 O VAL A 1 5.722 10.880 7.349 1.00 0.00 O ATOM 5 CB VAL A 1 8.060 10.278 4.917 1.00 0.00 C ATOM 6 CG1 VAL A 1 8.941 10.988 3.862 1.00 0.00 C ATOM 7 CG2 VAL A 1 8.877 9.946 6.188 1.00 0.00 C ATOM 0 H1 VAL A 1 6.948 13.175 4.989 1.00 0.00 H new ATOM 0 H2 VAL A 1 6.613 12.683 6.580 1.00 0.00 H new ATOM 0 H3 VAL A 1 8.178 12.502 5.947 1.00 0.00 H new ATOM 0 HA VAL A 1 6.257 11.235 4.295 1.00 0.00 H new ATOM 0 HB VAL A 1 7.719 9.328 4.505 1.00 0.00 H new ATOM 0 HG11 VAL A 1 9.822 10.380 3.655 1.00 0.00 H new ATOM 0 HG12 VAL A 1 8.370 11.124 2.944 1.00 0.00 H new ATOM 0 HG13 VAL A 1 9.253 11.960 4.243 1.00 0.00 H new ATOM 0 HG21 VAL A 1 9.750 9.354 5.915 1.00 0.00 H new ATOM 0 HG22 VAL A 1 9.201 10.871 6.665 1.00 0.00 H new ATOM 0 HG23 VAL A 1 8.256 9.379 6.882 1.00 0.00 H new ATOM 19 N ARG A 2 5.361 9.234 5.845 1.00 0.00 N ATOM 20 CA ARG A 2 4.619 8.379 6.737 1.00 0.00 C ATOM 21 C ARG A 2 5.108 6.988 6.454 1.00 0.00 C ATOM 22 O ARG A 2 5.929 6.787 5.556 1.00 0.00 O ATOM 23 CB ARG A 2 3.066 8.451 6.591 1.00 0.00 C ATOM 24 CG ARG A 2 2.447 7.979 5.253 1.00 0.00 C ATOM 25 CD ARG A 2 2.518 8.985 4.087 1.00 0.00 C ATOM 26 NE ARG A 2 1.163 9.573 3.810 1.00 0.00 N ATOM 27 CZ ARG A 2 0.744 10.784 4.291 1.00 0.00 C ATOM 28 NH1 ARG A 2 1.539 11.541 5.100 1.00 0.00 N ATOM 29 NH2 ARG A 2 -0.498 11.241 3.954 1.00 0.00 N ATOM 0 H ARG A 2 5.429 8.870 4.895 1.00 0.00 H new ATOM 0 HA ARG A 2 4.794 8.706 7.762 1.00 0.00 H new ATOM 0 HB2 ARG A 2 2.626 7.857 7.392 1.00 0.00 H new ATOM 0 HB3 ARG A 2 2.761 9.484 6.756 1.00 0.00 H new ATOM 0 HG2 ARG A 2 2.949 7.061 4.947 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.401 7.728 5.427 1.00 0.00 H new ATOM 0 HD2 ARG A 2 3.223 9.781 4.329 1.00 0.00 H new ATOM 0 HD3 ARG A 2 2.894 8.487 3.193 1.00 0.00 H new ATOM 0 HE ARG A 2 0.517 9.038 3.229 1.00 0.00 H new ATOM 0 HH11 ARG A 2 2.468 11.208 5.359 1.00 0.00 H new ATOM 0 HH12 ARG A 2 1.205 12.440 5.446 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -1.101 10.682 3.351 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -0.823 12.142 4.306 1.00 0.00 H new ATOM 43 N ASP A 3 4.593 5.986 7.206 1.00 0.00 N ATOM 44 CA ASP A 3 4.821 4.591 6.949 1.00 0.00 C ATOM 45 C ASP A 3 3.400 4.148 6.989 1.00 0.00 C ATOM 46 O ASP A 3 2.642 4.692 7.796 1.00 0.00 O ATOM 47 CB ASP A 3 5.588 3.824 8.061 1.00 0.00 C ATOM 48 CG ASP A 3 6.922 4.504 8.368 1.00 0.00 C ATOM 49 OD1 ASP A 3 7.692 4.779 7.411 1.00 0.00 O ATOM 50 OD2 ASP A 3 7.192 4.759 9.572 1.00 0.00 O ATOM 0 H ASP A 3 3.999 6.155 8.018 1.00 0.00 H new ATOM 0 HA ASP A 3 5.421 4.417 6.056 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.980 3.781 8.965 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.763 2.796 7.745 1.00 0.00 H new ATOM 55 N GLY A 4 2.970 3.237 6.096 1.00 0.00 N ATOM 56 CA GLY A 4 1.617 2.775 6.171 1.00 0.00 C ATOM 57 C GLY A 4 1.547 1.512 5.402 1.00 0.00 C ATOM 58 O GLY A 4 2.529 1.123 4.768 1.00 0.00 O ATOM 0 H GLY A 4 3.534 2.833 5.348 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.322 2.612 7.208 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.933 3.516 5.758 1.00 0.00 H new ATOM 62 N TYR A 5 0.342 0.903 5.367 1.00 0.00 N ATOM 63 CA TYR A 5 -0.012 -0.101 4.402 1.00 0.00 C ATOM 64 C TYR A 5 -0.312 0.684 3.165 1.00 0.00 C ATOM 65 O TYR A 5 -1.061 1.650 3.247 1.00 0.00 O ATOM 66 CB TYR A 5 -1.305 -0.853 4.769 1.00 0.00 C ATOM 67 CG TYR A 5 -1.069 -1.830 5.874 1.00 0.00 C ATOM 68 CD1 TYR A 5 -0.591 -3.114 5.574 1.00 0.00 C ATOM 69 CD2 TYR A 5 -1.370 -1.502 7.207 1.00 0.00 C ATOM 70 CE1 TYR A 5 -0.488 -4.079 6.577 1.00 0.00 C ATOM 71 CE2 TYR A 5 -1.255 -2.466 8.215 1.00 0.00 C ATOM 72 CZ TYR A 5 -0.845 -3.767 7.894 1.00 0.00 C ATOM 73 OH TYR A 5 -0.860 -4.779 8.875 1.00 0.00 O ATOM 0 H TYR A 5 -0.406 1.114 6.027 1.00 0.00 H new ATOM 0 HA TYR A 5 0.785 -0.840 4.319 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -2.071 -0.138 5.070 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -1.685 -1.377 3.892 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.301 -3.357 4.562 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -1.692 -0.501 7.455 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.132 -5.070 6.336 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.482 -2.208 9.239 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.470 -5.494 8.598 1.00 0.00 H new ATOM 83 N ILE A 6 0.287 0.338 2.010 1.00 0.00 N ATOM 84 CA ILE A 6 0.068 1.070 0.800 1.00 0.00 C ATOM 85 C ILE A 6 -1.103 0.424 0.094 1.00 0.00 C ATOM 86 O ILE A 6 -1.279 -0.814 0.099 1.00 0.00 O ATOM 87 CB ILE A 6 1.322 1.281 -0.053 1.00 0.00 C ATOM 88 CG1 ILE A 6 1.144 2.439 -1.066 1.00 0.00 C ATOM 89 CG2 ILE A 6 1.774 -0.037 -0.699 1.00 0.00 C ATOM 90 CD1 ILE A 6 2.351 2.667 -1.975 1.00 0.00 C ATOM 0 H ILE A 6 0.925 -0.452 1.914 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.187 2.104 1.030 1.00 0.00 H new ATOM 0 HB ILE A 6 2.133 1.596 0.603 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.271 2.234 -1.685 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.938 3.358 -0.518 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.666 0.139 -1.300 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.999 -0.766 0.080 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.978 -0.422 -1.336 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.144 3.495 -2.654 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.224 2.905 -1.368 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.547 1.764 -2.553 1.00 0.00 H new ATOM 102 N ALA A 7 -1.911 1.353 -0.476 1.00 0.00 N ATOM 103 CA ALA A 7 -3.054 1.165 -1.317 1.00 0.00 C ATOM 104 C ALA A 7 -2.613 1.343 -2.730 1.00 0.00 C ATOM 105 O ALA A 7 -1.428 1.321 -3.038 1.00 0.00 O ATOM 106 CB ALA A 7 -4.198 2.172 -1.060 1.00 0.00 C ATOM 0 H ALA A 7 -1.734 2.346 -0.323 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.444 0.170 -1.103 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.026 1.962 -1.737 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.540 2.079 -0.029 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.836 3.186 -1.233 1.00 0.00 H new ATOM 112 N GLN A 8 -3.589 1.564 -3.615 1.00 0.00 N ATOM 113 CA GLN A 8 -3.444 1.856 -4.997 1.00 0.00 C ATOM 114 C GLN A 8 -4.594 2.807 -5.101 1.00 0.00 C ATOM 115 O GLN A 8 -5.351 2.860 -4.124 1.00 0.00 O ATOM 116 CB GLN A 8 -3.688 0.615 -5.888 1.00 0.00 C ATOM 117 CG GLN A 8 -4.988 -0.152 -5.605 1.00 0.00 C ATOM 118 CD GLN A 8 -5.035 -1.424 -6.451 1.00 0.00 C ATOM 119 OE1 GLN A 8 -4.900 -1.368 -7.678 1.00 0.00 O ATOM 120 NE2 GLN A 8 -5.232 -2.595 -5.783 1.00 0.00 N ATOM 0 H GLN A 8 -4.570 1.535 -3.336 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.462 2.211 -5.310 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -3.693 0.932 -6.931 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -2.848 -0.069 -5.767 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -5.048 -0.406 -4.547 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -5.849 0.478 -5.831 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.338 -2.592 -4.769 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.273 -3.475 -6.297 1.00 0.00 H new ATOM 129 N PRO A 9 -4.809 3.545 -6.183 1.00 0.00 N ATOM 130 CA PRO A 9 -5.974 4.405 -6.316 1.00 0.00 C ATOM 131 C PRO A 9 -7.257 3.596 -6.337 1.00 0.00 C ATOM 132 O PRO A 9 -7.199 2.427 -6.723 1.00 0.00 O ATOM 133 CB PRO A 9 -5.755 5.096 -7.671 1.00 0.00 C ATOM 134 CG PRO A 9 -4.230 5.207 -7.776 1.00 0.00 C ATOM 135 CD PRO A 9 -3.763 3.889 -7.148 1.00 0.00 C ATOM 0 HA PRO A 9 -6.075 5.103 -5.485 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.172 4.512 -8.491 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -6.232 6.076 -7.703 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.900 5.304 -8.810 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.847 6.073 -7.236 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.648 3.110 -7.902 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.796 4.004 -6.659 1.00 0.00 H new ATOM 143 N GLU A 10 -8.421 4.139 -5.908 1.00 0.00 N ATOM 144 CA GLU A 10 -8.619 5.468 -5.375 1.00 0.00 C ATOM 145 C GLU A 10 -8.271 5.427 -3.920 1.00 0.00 C ATOM 146 O GLU A 10 -7.495 6.241 -3.428 1.00 0.00 O ATOM 147 CB GLU A 10 -10.082 5.930 -5.537 1.00 0.00 C ATOM 148 CG GLU A 10 -10.350 6.543 -6.923 1.00 0.00 C ATOM 149 CD GLU A 10 -11.837 6.857 -7.070 1.00 0.00 C ATOM 150 OE1 GLU A 10 -12.638 5.888 -7.151 1.00 0.00 O ATOM 151 OE2 GLU A 10 -12.190 8.066 -7.105 1.00 0.00 O ATOM 0 H GLU A 10 -9.292 3.608 -5.936 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.989 6.173 -5.918 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.748 5.081 -5.382 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.317 6.664 -4.766 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.763 7.453 -7.048 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.036 5.851 -7.704 1.00 0.00 H new ATOM 158 N ASN A 11 -8.832 4.434 -3.220 1.00 0.00 N ATOM 159 CA ASN A 11 -8.502 4.047 -1.894 1.00 0.00 C ATOM 160 C ASN A 11 -8.778 2.619 -2.184 1.00 0.00 C ATOM 161 O ASN A 11 -9.743 2.367 -2.906 1.00 0.00 O ATOM 162 CB ASN A 11 -9.493 4.520 -0.806 1.00 0.00 C ATOM 163 CG ASN A 11 -9.212 3.754 0.489 1.00 0.00 C ATOM 164 OD1 ASN A 11 -8.046 3.631 0.887 1.00 0.00 O ATOM 165 ND2 ASN A 11 -10.272 3.198 1.134 1.00 0.00 N ATOM 0 H ASN A 11 -9.575 3.858 -3.615 1.00 0.00 H new ATOM 0 HA ASN A 11 -7.543 4.395 -1.509 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -9.387 5.592 -0.640 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.519 4.348 -1.131 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.123 2.653 1.983 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.216 3.326 0.769 1.00 0.00 H new ATOM 172 N CYS A 12 -7.949 1.706 -1.672 1.00 0.00 N ATOM 173 CA CYS A 12 -7.998 0.294 -1.949 1.00 0.00 C ATOM 174 C CYS A 12 -6.928 -0.187 -1.033 1.00 0.00 C ATOM 175 O CYS A 12 -6.597 0.513 -0.081 1.00 0.00 O ATOM 176 CB CYS A 12 -7.734 -0.130 -3.428 1.00 0.00 C ATOM 177 SG CYS A 12 -9.209 -0.018 -4.487 1.00 0.00 S ATOM 0 H CYS A 12 -7.199 1.955 -1.028 1.00 0.00 H new ATOM 0 HA CYS A 12 -8.994 -0.123 -1.798 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -6.949 0.501 -3.844 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -7.362 -1.154 -3.443 1.00 0.00 H new ATOM 0 HG CYS A 12 -9.883 1.050 -4.180 1.00 0.00 H new ATOM 182 N VAL A 13 -6.358 -1.377 -1.299 1.00 0.00 N ATOM 183 CA VAL A 13 -5.137 -1.846 -0.726 1.00 0.00 C ATOM 184 C VAL A 13 -4.429 -2.157 -2.003 1.00 0.00 C ATOM 185 O VAL A 13 -5.110 -2.409 -3.006 1.00 0.00 O ATOM 186 CB VAL A 13 -5.241 -3.104 0.129 1.00 0.00 C ATOM 187 CG1 VAL A 13 -5.653 -2.704 1.557 1.00 0.00 C ATOM 188 CG2 VAL A 13 -6.213 -4.132 -0.485 1.00 0.00 C ATOM 0 H VAL A 13 -6.773 -2.046 -1.948 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.687 -1.139 -0.029 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.268 -3.595 0.165 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.730 -3.597 2.177 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.903 -2.034 1.978 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.618 -2.197 1.529 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.260 -5.014 0.153 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.206 -3.690 -0.567 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.861 -4.419 -1.476 1.00 0.00 H new ATOM 198 N TYR A 14 -3.074 -2.158 -2.022 1.00 0.00 N ATOM 199 CA TYR A 14 -2.324 -2.729 -3.118 1.00 0.00 C ATOM 200 C TYR A 14 -2.173 -4.133 -2.630 1.00 0.00 C ATOM 201 O TYR A 14 -2.210 -4.332 -1.421 1.00 0.00 O ATOM 202 CB TYR A 14 -0.900 -2.133 -3.359 1.00 0.00 C ATOM 203 CG TYR A 14 -0.699 -1.570 -4.747 1.00 0.00 C ATOM 204 CD1 TYR A 14 -1.281 -2.143 -5.897 1.00 0.00 C ATOM 205 CD2 TYR A 14 0.124 -0.442 -4.904 1.00 0.00 C ATOM 206 CE1 TYR A 14 -1.128 -1.535 -7.151 1.00 0.00 C ATOM 207 CE2 TYR A 14 0.285 0.162 -6.156 1.00 0.00 C ATOM 208 CZ TYR A 14 -0.364 -0.368 -7.276 1.00 0.00 C ATOM 209 OH TYR A 14 -0.243 0.282 -8.522 1.00 0.00 O ATOM 0 H TYR A 14 -2.496 -1.764 -1.279 1.00 0.00 H new ATOM 0 HA TYR A 14 -2.829 -2.562 -4.070 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.718 -1.345 -2.628 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.157 -2.910 -3.182 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -1.849 -3.057 -5.811 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.640 -0.035 -4.046 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.600 -1.967 -8.021 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.910 1.037 -6.257 1.00 0.00 H new ATOM 0 HH TYR A 14 0.323 1.076 -8.423 1.00 0.00 H new ATOM 219 N HIS A 15 -2.024 -5.145 -3.502 1.00 0.00 N ATOM 220 CA HIS A 15 -1.981 -6.506 -3.035 1.00 0.00 C ATOM 221 C HIS A 15 -0.541 -6.893 -3.053 1.00 0.00 C ATOM 222 O HIS A 15 0.342 -6.062 -3.259 1.00 0.00 O ATOM 223 CB HIS A 15 -2.873 -7.470 -3.853 1.00 0.00 C ATOM 224 CG HIS A 15 -4.324 -7.300 -3.489 1.00 0.00 C ATOM 225 ND1 HIS A 15 -5.087 -6.241 -3.901 1.00 0.00 N ATOM 226 CD2 HIS A 15 -5.085 -8.031 -2.641 1.00 0.00 C ATOM 227 CE1 HIS A 15 -6.277 -6.332 -3.321 1.00 0.00 C ATOM 228 NE2 HIS A 15 -6.299 -7.410 -2.550 1.00 0.00 N ATOM 0 H HIS A 15 -1.934 -5.032 -4.512 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.398 -6.579 -2.031 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -2.737 -7.282 -4.918 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -2.566 -8.500 -3.669 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -4.788 -8.936 -2.132 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -7.095 -5.640 -3.455 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -7.088 -7.723 -1.985 1.00 0.00 H new ATOM 237 N CYS A 16 -0.268 -8.175 -2.790 1.00 0.00 N ATOM 238 CA CYS A 16 1.042 -8.676 -2.587 1.00 0.00 C ATOM 239 C CYS A 16 0.900 -9.954 -3.313 1.00 0.00 C ATOM 240 O CYS A 16 -0.214 -10.470 -3.417 1.00 0.00 O ATOM 241 CB CYS A 16 1.304 -8.952 -1.084 1.00 0.00 C ATOM 242 SG CYS A 16 2.777 -9.949 -0.706 1.00 0.00 S ATOM 0 H CYS A 16 -0.991 -8.891 -2.716 1.00 0.00 H new ATOM 0 HA CYS A 16 1.852 -8.020 -2.905 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.394 -7.996 -0.569 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.431 -9.456 -0.669 1.00 0.00 H new ATOM 247 N PHE A 17 2.030 -10.483 -3.807 1.00 0.00 N ATOM 248 CA PHE A 17 2.148 -11.806 -4.307 1.00 0.00 C ATOM 249 C PHE A 17 3.125 -12.299 -3.278 1.00 0.00 C ATOM 250 O PHE A 17 4.172 -11.647 -3.182 1.00 0.00 O ATOM 251 CB PHE A 17 2.830 -11.857 -5.700 1.00 0.00 C ATOM 252 CG PHE A 17 2.180 -10.944 -6.720 1.00 0.00 C ATOM 253 CD1 PHE A 17 0.784 -10.771 -6.820 1.00 0.00 C ATOM 254 CD2 PHE A 17 3.004 -10.236 -7.614 1.00 0.00 C ATOM 255 CE1 PHE A 17 0.233 -9.924 -7.791 1.00 0.00 C ATOM 256 CE2 PHE A 17 2.456 -9.390 -8.586 1.00 0.00 C ATOM 257 CZ PHE A 17 1.069 -9.237 -8.678 1.00 0.00 C ATOM 0 H PHE A 17 2.903 -9.958 -3.858 1.00 0.00 H new ATOM 0 HA PHE A 17 1.207 -12.340 -4.438 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.879 -11.582 -5.593 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.805 -12.881 -6.072 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.131 -11.298 -6.140 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.076 -10.347 -7.550 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.838 -9.801 -7.855 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.104 -8.856 -9.265 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.644 -8.590 -9.432 1.00 0.00 H new ATOM 267 N PRO A 18 2.875 -13.337 -2.478 1.00 0.00 N ATOM 268 CA PRO A 18 3.779 -13.728 -1.409 1.00 0.00 C ATOM 269 C PRO A 18 5.179 -14.019 -1.901 1.00 0.00 C ATOM 270 O PRO A 18 5.345 -14.733 -2.887 1.00 0.00 O ATOM 271 CB PRO A 18 3.118 -14.989 -0.847 1.00 0.00 C ATOM 272 CG PRO A 18 1.619 -14.670 -0.923 1.00 0.00 C ATOM 273 CD PRO A 18 1.504 -13.751 -2.151 1.00 0.00 C ATOM 0 HA PRO A 18 3.915 -12.935 -0.673 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.371 -15.871 -1.435 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.435 -15.186 0.177 1.00 0.00 H new ATOM 0 HG2 PRO A 18 1.023 -15.575 -1.042 1.00 0.00 H new ATOM 0 HG3 PRO A 18 1.269 -14.174 -0.018 1.00 0.00 H new ATOM 0 HD2 PRO A 18 1.045 -14.275 -2.989 1.00 0.00 H new ATOM 0 HD3 PRO A 18 0.877 -12.886 -1.934 1.00 0.00 H new ATOM 281 N GLY A 19 6.181 -13.401 -1.254 1.00 0.00 N ATOM 282 CA GLY A 19 7.518 -13.299 -1.770 1.00 0.00 C ATOM 283 C GLY A 19 7.832 -11.855 -1.570 1.00 0.00 C ATOM 284 O GLY A 19 8.872 -11.513 -1.015 1.00 0.00 O ATOM 0 H GLY A 19 6.062 -12.957 -0.343 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.212 -13.944 -1.230 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.570 -13.584 -2.821 1.00 0.00 H new ATOM 288 N SER A 20 6.867 -10.993 -1.969 1.00 0.00 N ATOM 289 CA SER A 20 6.814 -9.565 -1.744 1.00 0.00 C ATOM 290 C SER A 20 7.416 -8.796 -2.873 1.00 0.00 C ATOM 291 O SER A 20 7.448 -7.572 -2.807 1.00 0.00 O ATOM 292 CB SER A 20 7.407 -8.999 -0.421 1.00 0.00 C ATOM 293 OG SER A 20 6.925 -9.709 0.711 1.00 0.00 O ATOM 0 H SER A 20 6.056 -11.321 -2.493 1.00 0.00 H new ATOM 0 HA SER A 20 5.736 -9.423 -1.663 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.495 -9.059 -0.454 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.149 -7.944 -0.327 1.00 0.00 H new ATOM 0 HG SER A 20 5.964 -9.547 0.814 1.00 0.00 H new ATOM 299 N SER A 21 7.880 -9.449 -3.957 1.00 0.00 N ATOM 300 CA SER A 21 8.594 -8.810 -5.041 1.00 0.00 C ATOM 301 C SER A 21 7.698 -7.876 -5.818 1.00 0.00 C ATOM 302 O SER A 21 8.112 -6.802 -6.266 1.00 0.00 O ATOM 303 CB SER A 21 9.219 -9.882 -5.974 1.00 0.00 C ATOM 304 OG SER A 21 8.688 -11.175 -5.673 1.00 0.00 O ATOM 0 H SER A 21 7.758 -10.453 -4.090 1.00 0.00 H new ATOM 0 HA SER A 21 9.396 -8.209 -4.612 1.00 0.00 H new ATOM 0 HB2 SER A 21 9.015 -9.631 -7.015 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.302 -9.890 -5.855 1.00 0.00 H new ATOM 0 HG SER A 21 9.156 -11.548 -4.897 1.00 0.00 H new ATOM 310 N GLY A 22 6.409 -8.255 -5.944 1.00 0.00 N ATOM 311 CA GLY A 22 5.406 -7.432 -6.585 1.00 0.00 C ATOM 312 C GLY A 22 5.143 -6.218 -5.751 1.00 0.00 C ATOM 313 O GLY A 22 5.187 -5.095 -6.249 1.00 0.00 O ATOM 0 H GLY A 22 6.051 -9.145 -5.598 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.744 -7.137 -7.578 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.486 -8.000 -6.718 1.00 0.00 H new ATOM 317 N CYS A 23 4.917 -6.427 -4.431 1.00 0.00 N ATOM 318 CA CYS A 23 4.655 -5.392 -3.450 1.00 0.00 C ATOM 319 C CYS A 23 5.816 -4.440 -3.415 1.00 0.00 C ATOM 320 O CYS A 23 5.620 -3.237 -3.539 1.00 0.00 O ATOM 321 CB CYS A 23 4.376 -5.991 -2.039 1.00 0.00 C ATOM 322 SG CYS A 23 4.351 -4.861 -0.602 1.00 0.00 S ATOM 0 H CYS A 23 4.916 -7.362 -4.024 1.00 0.00 H new ATOM 0 HA CYS A 23 3.755 -4.852 -3.743 1.00 0.00 H new ATOM 0 HB2 CYS A 23 3.412 -6.498 -2.079 1.00 0.00 H new ATOM 0 HB3 CYS A 23 5.130 -6.754 -1.848 1.00 0.00 H new ATOM 327 N ASP A 24 7.057 -4.964 -3.303 1.00 0.00 N ATOM 328 CA ASP A 24 8.290 -4.205 -3.305 1.00 0.00 C ATOM 329 C ASP A 24 8.402 -3.323 -4.525 1.00 0.00 C ATOM 330 O ASP A 24 8.729 -2.147 -4.404 1.00 0.00 O ATOM 331 CB ASP A 24 9.535 -5.135 -3.222 1.00 0.00 C ATOM 332 CG ASP A 24 10.840 -4.349 -3.051 1.00 0.00 C ATOM 333 OD1 ASP A 24 10.949 -3.593 -2.049 1.00 0.00 O ATOM 334 OD2 ASP A 24 11.735 -4.496 -3.924 1.00 0.00 O ATOM 0 H ASP A 24 7.214 -5.967 -3.206 1.00 0.00 H new ATOM 0 HA ASP A 24 8.263 -3.572 -2.418 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.416 -5.823 -2.385 1.00 0.00 H new ATOM 0 HB3 ASP A 24 9.594 -5.740 -4.127 1.00 0.00 H new ATOM 339 N THR A 25 8.097 -3.841 -5.728 1.00 0.00 N ATOM 340 CA THR A 25 8.180 -3.068 -6.951 1.00 0.00 C ATOM 341 C THR A 25 7.190 -1.917 -6.929 1.00 0.00 C ATOM 342 O THR A 25 7.529 -0.786 -7.281 1.00 0.00 O ATOM 343 CB THR A 25 7.908 -3.938 -8.163 1.00 0.00 C ATOM 344 OG1 THR A 25 8.769 -5.076 -8.157 1.00 0.00 O ATOM 345 CG2 THR A 25 8.146 -3.156 -9.474 1.00 0.00 C ATOM 0 H THR A 25 7.789 -4.804 -5.865 1.00 0.00 H new ATOM 0 HA THR A 25 9.193 -2.670 -7.018 1.00 0.00 H new ATOM 0 HB THR A 25 6.865 -4.252 -8.113 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.300 -5.839 -7.759 1.00 0.00 H new ATOM 0 HG21 THR A 25 7.943 -3.804 -10.326 1.00 0.00 H new ATOM 0 HG22 THR A 25 7.481 -2.293 -9.509 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.182 -2.818 -9.513 1.00 0.00 H new ATOM 353 N LEU A 26 5.942 -2.189 -6.480 1.00 0.00 N ATOM 354 CA LEU A 26 4.866 -1.219 -6.473 1.00 0.00 C ATOM 355 C LEU A 26 5.103 -0.199 -5.398 1.00 0.00 C ATOM 356 O LEU A 26 4.839 0.988 -5.564 1.00 0.00 O ATOM 357 CB LEU A 26 3.498 -1.886 -6.204 1.00 0.00 C ATOM 358 CG LEU A 26 3.073 -2.863 -7.326 1.00 0.00 C ATOM 359 CD1 LEU A 26 1.989 -3.844 -6.840 1.00 0.00 C ATOM 360 CD2 LEU A 26 2.648 -2.130 -8.614 1.00 0.00 C ATOM 0 H LEU A 26 5.670 -3.101 -6.113 1.00 0.00 H new ATOM 0 HA LEU A 26 4.849 -0.751 -7.457 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.542 -2.425 -5.258 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.738 -1.113 -6.095 1.00 0.00 H new ATOM 0 HG LEU A 26 3.954 -3.451 -7.583 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.714 -4.515 -7.654 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.374 -4.427 -6.003 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.110 -3.285 -6.519 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.359 -2.860 -9.370 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.802 -1.477 -8.399 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.482 -1.534 -8.985 1.00 0.00 H new ATOM 372 N CYS A 27 5.655 -0.652 -4.260 1.00 0.00 N ATOM 373 CA CYS A 27 6.086 0.183 -3.167 1.00 0.00 C ATOM 374 C CYS A 27 7.195 1.107 -3.614 1.00 0.00 C ATOM 375 O CYS A 27 7.169 2.312 -3.345 1.00 0.00 O ATOM 376 CB CYS A 27 6.585 -0.678 -1.974 1.00 0.00 C ATOM 377 SG CYS A 27 6.967 0.274 -0.484 1.00 0.00 S ATOM 0 H CYS A 27 5.811 -1.645 -4.087 1.00 0.00 H new ATOM 0 HA CYS A 27 5.230 0.774 -2.843 1.00 0.00 H new ATOM 0 HB2 CYS A 27 5.824 -1.420 -1.733 1.00 0.00 H new ATOM 0 HB3 CYS A 27 7.477 -1.224 -2.282 1.00 0.00 H new ATOM 382 N LYS A 28 8.199 0.551 -4.333 1.00 0.00 N ATOM 383 CA LYS A 28 9.406 1.251 -4.710 1.00 0.00 C ATOM 384 C LYS A 28 9.075 2.387 -5.633 1.00 0.00 C ATOM 385 O LYS A 28 9.534 3.511 -5.432 1.00 0.00 O ATOM 386 CB LYS A 28 10.434 0.304 -5.378 1.00 0.00 C ATOM 387 CG LYS A 28 11.828 0.895 -5.648 1.00 0.00 C ATOM 388 CD LYS A 28 12.819 -0.180 -6.135 1.00 0.00 C ATOM 389 CE LYS A 28 14.240 0.332 -6.412 1.00 0.00 C ATOM 390 NZ LYS A 28 14.252 1.326 -7.510 1.00 0.00 N ATOM 0 H LYS A 28 8.173 -0.414 -4.663 1.00 0.00 H new ATOM 0 HA LYS A 28 9.860 1.643 -3.800 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.552 -0.575 -4.744 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.018 -0.039 -6.325 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.750 1.684 -6.396 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.210 1.356 -4.737 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.872 -0.971 -5.387 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.426 -0.630 -7.047 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.649 0.782 -5.507 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.886 -0.507 -6.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 15.230 1.627 -7.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.853 0.898 -8.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.682 2.152 -7.237 1.00 0.00 H new ATOM 404 N GLU A 29 8.217 2.129 -6.647 1.00 0.00 N ATOM 405 CA GLU A 29 7.851 3.130 -7.631 1.00 0.00 C ATOM 406 C GLU A 29 6.998 4.236 -7.046 1.00 0.00 C ATOM 407 O GLU A 29 6.873 5.301 -7.645 1.00 0.00 O ATOM 408 CB GLU A 29 7.127 2.536 -8.865 1.00 0.00 C ATOM 409 CG GLU A 29 5.757 1.897 -8.582 1.00 0.00 C ATOM 410 CD GLU A 29 5.105 1.372 -9.862 1.00 0.00 C ATOM 411 OE1 GLU A 29 5.802 1.288 -10.909 1.00 0.00 O ATOM 412 OE2 GLU A 29 3.889 1.046 -9.803 1.00 0.00 O ATOM 0 H GLU A 29 7.771 1.223 -6.791 1.00 0.00 H new ATOM 0 HA GLU A 29 8.802 3.549 -7.959 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.994 3.327 -9.603 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.773 1.784 -9.317 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.876 1.079 -7.872 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.102 2.632 -8.114 1.00 0.00 H new ATOM 419 N LYS A 30 6.401 4.005 -5.855 1.00 0.00 N ATOM 420 CA LYS A 30 5.567 4.966 -5.164 1.00 0.00 C ATOM 421 C LYS A 30 6.386 5.726 -4.155 1.00 0.00 C ATOM 422 O LYS A 30 5.900 6.674 -3.539 1.00 0.00 O ATOM 423 CB LYS A 30 4.383 4.287 -4.437 1.00 0.00 C ATOM 424 CG LYS A 30 3.304 3.758 -5.403 1.00 0.00 C ATOM 425 CD LYS A 30 2.408 4.854 -6.010 1.00 0.00 C ATOM 426 CE LYS A 30 1.227 4.299 -6.819 1.00 0.00 C ATOM 427 NZ LYS A 30 1.689 3.517 -7.989 1.00 0.00 N ATOM 0 H LYS A 30 6.499 3.123 -5.353 1.00 0.00 H new ATOM 0 HA LYS A 30 5.165 5.644 -5.916 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.760 3.460 -3.835 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.929 5.001 -3.750 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.792 3.214 -6.212 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.675 3.043 -4.872 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.025 5.485 -5.208 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.013 5.491 -6.655 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.611 3.668 -6.179 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.597 5.122 -7.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.866 3.171 -8.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.270 4.122 -8.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.255 2.708 -7.664 1.00 0.00 H new ATOM 441 N GLY A 31 7.673 5.348 -3.997 1.00 0.00 N ATOM 442 CA GLY A 31 8.638 6.123 -3.265 1.00 0.00 C ATOM 443 C GLY A 31 8.883 5.536 -1.916 1.00 0.00 C ATOM 444 O GLY A 31 9.494 6.186 -1.071 1.00 0.00 O ATOM 0 H GLY A 31 8.052 4.485 -4.386 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.574 6.165 -3.822 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.282 7.148 -3.160 1.00 0.00 H new ATOM 448 N GLY A 32 8.417 4.292 -1.662 1.00 0.00 N ATOM 449 CA GLY A 32 8.669 3.640 -0.401 1.00 0.00 C ATOM 450 C GLY A 32 9.986 2.939 -0.506 1.00 0.00 C ATOM 451 O GLY A 32 10.222 2.175 -1.441 1.00 0.00 O ATOM 0 H GLY A 32 7.870 3.740 -2.323 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.687 4.369 0.409 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.875 2.929 -0.173 1.00 0.00 H new ATOM 455 N THR A 33 10.900 3.196 0.452 1.00 0.00 N ATOM 456 CA THR A 33 12.268 2.757 0.357 1.00 0.00 C ATOM 457 C THR A 33 12.452 1.474 1.121 1.00 0.00 C ATOM 458 O THR A 33 13.564 0.965 1.259 1.00 0.00 O ATOM 459 CB THR A 33 13.200 3.840 0.871 1.00 0.00 C ATOM 460 OG1 THR A 33 12.642 4.476 2.018 1.00 0.00 O ATOM 461 CG2 THR A 33 13.359 4.887 -0.249 1.00 0.00 C ATOM 0 H THR A 33 10.690 3.715 1.305 1.00 0.00 H new ATOM 0 HA THR A 33 12.513 2.568 -0.688 1.00 0.00 H new ATOM 0 HB THR A 33 14.159 3.402 1.148 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.255 5.170 2.338 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.024 5.682 0.088 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.781 4.411 -1.134 1.00 0.00 H new ATOM 0 HG23 THR A 33 12.384 5.309 -0.493 1.00 0.00 H new ATOM 469 N SER A 34 11.369 0.897 1.657 1.00 0.00 N ATOM 470 CA SER A 34 11.385 -0.439 2.157 1.00 0.00 C ATOM 471 C SER A 34 9.931 -0.712 2.146 1.00 0.00 C ATOM 472 O SER A 34 9.147 0.242 2.154 1.00 0.00 O ATOM 473 CB SER A 34 11.928 -0.569 3.594 1.00 0.00 C ATOM 474 OG SER A 34 13.324 -0.303 3.604 1.00 0.00 O ATOM 0 H SER A 34 10.466 1.364 1.746 1.00 0.00 H new ATOM 0 HA SER A 34 12.027 -1.107 1.583 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.410 0.128 4.253 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.736 -1.572 3.976 1.00 0.00 H new ATOM 0 HG SER A 34 13.607 -0.006 2.714 1.00 0.00 H new ATOM 480 N GLY A 35 9.537 -1.995 2.120 1.00 0.00 N ATOM 481 CA GLY A 35 8.169 -2.360 2.077 1.00 0.00 C ATOM 482 C GLY A 35 8.319 -3.808 2.310 1.00 0.00 C ATOM 483 O GLY A 35 9.441 -4.320 2.260 1.00 0.00 O ATOM 0 H GLY A 35 10.181 -2.786 2.129 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.576 -1.867 2.847 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.701 -2.132 1.119 1.00 0.00 H new ATOM 487 N HIS A 36 7.203 -4.494 2.578 1.00 0.00 N ATOM 488 CA HIS A 36 7.156 -5.897 2.832 1.00 0.00 C ATOM 489 C HIS A 36 5.683 -6.056 2.708 1.00 0.00 C ATOM 490 O HIS A 36 4.986 -5.049 2.560 1.00 0.00 O ATOM 491 CB HIS A 36 7.627 -6.332 4.247 1.00 0.00 C ATOM 492 CG HIS A 36 7.147 -5.447 5.370 1.00 0.00 C ATOM 493 ND1 HIS A 36 6.003 -5.492 6.092 1.00 0.00 N flip ATOM 494 CD2 HIS A 36 7.871 -4.378 5.831 1.00 0.00 C flip ATOM 495 CE1 HIS A 36 6.044 -4.455 6.981 1.00 0.00 C flip ATOM 496 NE2 HIS A 36 7.183 -3.798 6.807 1.00 0.00 N flip ATOM 0 H HIS A 36 6.285 -4.050 2.620 1.00 0.00 H new ATOM 0 HA HIS A 36 7.806 -6.489 2.187 1.00 0.00 H new ATOM 0 HB2 HIS A 36 7.284 -7.350 4.432 1.00 0.00 H new ATOM 0 HB3 HIS A 36 8.717 -6.355 4.261 1.00 0.00 H new ATOM 0 HD1 HIS A 36 5.250 -6.173 5.991 1.00 0.00 H new ATOM 0 HD2 HIS A 36 8.836 -4.062 5.463 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.279 -4.212 7.703 1.00 0.00 H new ATOM 505 N CYS A 37 5.155 -7.293 2.752 1.00 0.00 N ATOM 506 CA CYS A 37 3.725 -7.485 2.688 1.00 0.00 C ATOM 507 C CYS A 37 3.222 -7.584 4.084 1.00 0.00 C ATOM 508 O CYS A 37 3.994 -7.832 5.009 1.00 0.00 O ATOM 509 CB CYS A 37 3.324 -8.759 1.934 1.00 0.00 C ATOM 510 SG CYS A 37 3.938 -8.637 0.247 1.00 0.00 S ATOM 0 H CYS A 37 5.701 -8.151 2.830 1.00 0.00 H new ATOM 0 HA CYS A 37 3.295 -6.643 2.146 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.740 -9.638 2.426 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.240 -8.876 1.936 1.00 0.00 H new ATOM 515 N GLY A 38 1.901 -7.397 4.264 1.00 0.00 N ATOM 516 CA GLY A 38 1.280 -7.493 5.539 1.00 0.00 C ATOM 517 C GLY A 38 -0.146 -7.583 5.124 1.00 0.00 C ATOM 518 O GLY A 38 -0.449 -7.453 3.936 1.00 0.00 O ATOM 0 H GLY A 38 1.256 -7.175 3.505 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.608 -8.370 6.098 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.478 -6.623 6.166 1.00 0.00 H new ATOM 522 N PHE A 39 -1.049 -7.812 6.094 1.00 0.00 N ATOM 523 CA PHE A 39 -2.456 -7.987 5.877 1.00 0.00 C ATOM 524 C PHE A 39 -3.024 -6.827 6.640 1.00 0.00 C ATOM 525 O PHE A 39 -2.517 -6.518 7.724 1.00 0.00 O ATOM 526 CB PHE A 39 -2.923 -9.340 6.480 1.00 0.00 C ATOM 527 CG PHE A 39 -4.256 -9.801 5.956 1.00 0.00 C ATOM 528 CD1 PHE A 39 -4.357 -10.459 4.719 1.00 0.00 C ATOM 529 CD2 PHE A 39 -5.411 -9.656 6.739 1.00 0.00 C ATOM 530 CE1 PHE A 39 -5.590 -10.951 4.271 1.00 0.00 C ATOM 531 CE2 PHE A 39 -6.643 -10.153 6.299 1.00 0.00 C ATOM 532 CZ PHE A 39 -6.736 -10.796 5.059 1.00 0.00 C ATOM 0 H PHE A 39 -0.788 -7.879 7.078 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.757 -8.011 4.830 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.174 -10.102 6.266 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.981 -9.245 7.564 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.476 -10.587 4.108 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.349 -9.154 7.693 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.656 -11.451 3.316 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.522 -10.040 6.916 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.688 -11.171 4.712 1.00 0.00 H new ATOM 542 N LYS A 40 -4.043 -6.138 6.072 1.00 0.00 N ATOM 543 CA LYS A 40 -4.618 -4.938 6.656 1.00 0.00 C ATOM 544 C LYS A 40 -5.865 -5.293 7.397 1.00 0.00 C ATOM 545 O LYS A 40 -6.253 -4.651 8.372 1.00 0.00 O ATOM 546 CB LYS A 40 -4.926 -3.872 5.562 1.00 0.00 C ATOM 547 CG LYS A 40 -5.722 -2.614 5.977 1.00 0.00 C ATOM 548 CD LYS A 40 -5.111 -1.800 7.132 1.00 0.00 C ATOM 549 CE LYS A 40 -5.847 -0.482 7.428 1.00 0.00 C ATOM 550 NZ LYS A 40 -7.274 -0.708 7.758 1.00 0.00 N ATOM 0 H LYS A 40 -4.479 -6.414 5.192 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.894 -4.507 7.347 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.976 -3.542 5.141 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.476 -4.366 4.761 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.820 -1.963 5.108 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.729 -2.919 6.262 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.109 -2.413 8.033 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.071 -1.578 6.895 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -5.359 0.028 8.258 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.774 0.177 6.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.722 0.199 8.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.758 -1.125 6.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.345 -1.356 8.568 1.00 0.00 H new ATOM 564 N VAL A 41 -6.508 -6.359 6.907 1.00 0.00 N ATOM 565 CA VAL A 41 -7.852 -6.812 7.180 1.00 0.00 C ATOM 566 C VAL A 41 -8.769 -5.794 6.508 1.00 0.00 C ATOM 567 O VAL A 41 -8.298 -4.827 5.905 1.00 0.00 O ATOM 568 CB VAL A 41 -8.145 -7.065 8.665 1.00 0.00 C ATOM 569 CG1 VAL A 41 -9.412 -7.918 8.882 1.00 0.00 C ATOM 570 CG2 VAL A 41 -6.976 -7.792 9.373 1.00 0.00 C ATOM 0 H VAL A 41 -6.042 -6.979 6.245 1.00 0.00 H new ATOM 0 HA VAL A 41 -8.021 -7.807 6.768 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.289 -6.073 9.093 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -9.572 -8.066 9.950 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.273 -7.406 8.454 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.287 -8.886 8.396 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.228 -7.950 10.422 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.802 -8.755 8.893 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.074 -7.184 9.304 1.00 0.00 H new ATOM 580 N GLY A 42 -10.105 -5.998 6.525 1.00 0.00 N ATOM 581 CA GLY A 42 -11.071 -5.029 6.059 1.00 0.00 C ATOM 582 C GLY A 42 -11.177 -5.091 4.569 1.00 0.00 C ATOM 583 O GLY A 42 -12.202 -5.460 4.009 1.00 0.00 O ATOM 0 H GLY A 42 -10.529 -6.859 6.871 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.044 -5.227 6.510 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.773 -4.028 6.370 1.00 0.00 H new ATOM 587 N HIS A 43 -10.074 -4.728 3.898 1.00 0.00 N ATOM 588 CA HIS A 43 -9.909 -4.868 2.481 1.00 0.00 C ATOM 589 C HIS A 43 -9.276 -6.221 2.294 1.00 0.00 C ATOM 590 O HIS A 43 -9.798 -7.061 1.563 1.00 0.00 O ATOM 591 CB HIS A 43 -8.992 -3.787 1.875 1.00 0.00 C ATOM 592 CG HIS A 43 -9.469 -2.365 2.040 1.00 0.00 C ATOM 593 ND1 HIS A 43 -9.339 -1.443 1.036 1.00 0.00 N ATOM 594 CD2 HIS A 43 -9.849 -1.688 3.150 1.00 0.00 C ATOM 595 CE1 HIS A 43 -9.633 -0.245 1.521 1.00 0.00 C ATOM 596 NE2 HIS A 43 -9.945 -0.364 2.803 1.00 0.00 N ATOM 0 H HIS A 43 -9.261 -4.319 4.358 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.870 -4.761 1.978 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -8.005 -3.876 2.329 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -8.873 -3.991 0.811 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -10.040 -2.111 4.125 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -9.620 0.679 0.962 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -10.211 0.399 3.426 1.00 0.00 H new ATOM 605 N GLY A 44 -8.143 -6.492 2.985 1.00 0.00 N ATOM 606 CA GLY A 44 -7.579 -7.815 2.992 1.00 0.00 C ATOM 607 C GLY A 44 -6.096 -7.679 2.973 1.00 0.00 C ATOM 608 O GLY A 44 -5.514 -6.956 3.789 1.00 0.00 O ATOM 0 H GLY A 44 -7.625 -5.804 3.531 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.901 -8.363 3.878 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.922 -8.381 2.126 1.00 0.00 H new ATOM 612 N LEU A 45 -5.476 -8.399 2.010 1.00 0.00 N ATOM 613 CA LEU A 45 -4.061 -8.524 1.754 1.00 0.00 C ATOM 614 C LEU A 45 -3.604 -7.204 1.214 1.00 0.00 C ATOM 615 O LEU A 45 -4.227 -6.697 0.283 1.00 0.00 O ATOM 616 CB LEU A 45 -3.881 -9.637 0.686 1.00 0.00 C ATOM 617 CG LEU A 45 -2.468 -9.945 0.141 1.00 0.00 C ATOM 618 CD1 LEU A 45 -1.530 -10.611 1.166 1.00 0.00 C ATOM 619 CD2 LEU A 45 -2.606 -10.838 -1.108 1.00 0.00 C ATOM 0 H LEU A 45 -6.020 -8.948 1.345 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.489 -8.781 2.645 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.278 -10.561 1.107 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.511 -9.378 -0.165 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.003 -8.990 -0.103 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.559 -10.794 0.706 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.405 -9.953 2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.961 -11.557 1.492 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.616 -11.064 -1.505 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.110 -11.766 -0.838 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.190 -10.316 -1.866 1.00 0.00 H new ATOM 631 N ALA A 46 -2.547 -6.600 1.808 1.00 0.00 N ATOM 632 CA ALA A 46 -2.212 -5.226 1.547 1.00 0.00 C ATOM 633 C ALA A 46 -0.756 -5.207 1.205 1.00 0.00 C ATOM 634 O ALA A 46 -0.108 -6.255 1.262 1.00 0.00 O ATOM 635 CB ALA A 46 -2.491 -4.323 2.760 1.00 0.00 C ATOM 0 H ALA A 46 -1.925 -7.065 2.469 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.825 -4.836 0.734 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.223 -3.295 2.517 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.550 -4.372 3.014 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.898 -4.661 3.610 1.00 0.00 H new ATOM 641 N CYS A 47 -0.181 -4.029 0.847 1.00 0.00 N ATOM 642 CA CYS A 47 1.254 -3.977 0.641 1.00 0.00 C ATOM 643 C CYS A 47 1.643 -3.005 1.711 1.00 0.00 C ATOM 644 O CYS A 47 0.762 -2.290 2.178 1.00 0.00 O ATOM 645 CB CYS A 47 1.594 -3.538 -0.807 1.00 0.00 C ATOM 646 SG CYS A 47 3.344 -3.199 -1.181 1.00 0.00 S ATOM 0 H CYS A 47 -0.679 -3.150 0.705 1.00 0.00 H new ATOM 0 HA CYS A 47 1.792 -4.922 0.722 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.247 -4.316 -1.487 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.020 -2.639 -1.032 1.00 0.00 H new ATOM 651 N TRP A 48 2.914 -2.962 2.175 1.00 0.00 N ATOM 652 CA TRP A 48 3.329 -2.031 3.197 1.00 0.00 C ATOM 653 C TRP A 48 4.470 -1.288 2.582 1.00 0.00 C ATOM 654 O TRP A 48 5.178 -1.848 1.746 1.00 0.00 O ATOM 655 CB TRP A 48 3.761 -2.726 4.526 1.00 0.00 C ATOM 656 CG TRP A 48 4.375 -1.843 5.601 1.00 0.00 C ATOM 657 CD1 TRP A 48 5.667 -1.406 5.675 1.00 0.00 C ATOM 658 CD2 TRP A 48 3.700 -1.287 6.743 1.00 0.00 C ATOM 659 NE1 TRP A 48 5.846 -0.617 6.777 1.00 0.00 N ATOM 660 CE2 TRP A 48 4.651 -0.521 7.451 1.00 0.00 C ATOM 661 CE3 TRP A 48 2.386 -1.387 7.179 1.00 0.00 C ATOM 662 CZ2 TRP A 48 4.296 0.166 8.607 1.00 0.00 C ATOM 663 CZ3 TRP A 48 2.026 -0.691 8.341 1.00 0.00 C ATOM 664 CH2 TRP A 48 2.968 0.076 9.044 1.00 0.00 C ATOM 0 H TRP A 48 3.658 -3.574 1.842 1.00 0.00 H new ATOM 0 HA TRP A 48 2.504 -1.382 3.491 1.00 0.00 H new ATOM 0 HB2 TRP A 48 2.886 -3.217 4.951 1.00 0.00 H new ATOM 0 HB3 TRP A 48 4.478 -3.509 4.281 1.00 0.00 H new ATOM 0 HD1 TRP A 48 6.440 -1.650 4.962 1.00 0.00 H new ATOM 0 HE1 TRP A 48 6.721 -0.173 7.054 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.664 -1.982 6.640 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 5.022 0.751 9.151 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 1.009 -0.746 8.701 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.664 0.605 9.935 1.00 0.00 H new ATOM 675 N CYS A 49 4.660 -0.010 2.995 1.00 0.00 N ATOM 676 CA CYS A 49 5.786 0.788 2.600 1.00 0.00 C ATOM 677 C CYS A 49 6.203 1.552 3.811 1.00 0.00 C ATOM 678 O CYS A 49 5.382 1.874 4.671 1.00 0.00 O ATOM 679 CB CYS A 49 5.465 1.860 1.541 1.00 0.00 C ATOM 680 SG CYS A 49 5.194 1.159 -0.096 1.00 0.00 S ATOM 0 H CYS A 49 4.014 0.475 3.617 1.00 0.00 H new ATOM 0 HA CYS A 49 6.529 0.108 2.183 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.577 2.413 1.847 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.286 2.576 1.494 1.00 0.00 H new ATOM 685 N ASN A 50 7.506 1.900 3.859 1.00 0.00 N ATOM 686 CA ASN A 50 8.061 2.810 4.820 1.00 0.00 C ATOM 687 C ASN A 50 8.536 3.948 3.976 1.00 0.00 C ATOM 688 O ASN A 50 9.136 3.719 2.927 1.00 0.00 O ATOM 689 CB ASN A 50 9.316 2.279 5.576 1.00 0.00 C ATOM 690 CG ASN A 50 8.939 1.678 6.936 1.00 0.00 C ATOM 691 OD1 ASN A 50 8.100 0.775 7.028 1.00 0.00 O ATOM 692 ND2 ASN A 50 9.586 2.183 8.027 1.00 0.00 N ATOM 0 H ASN A 50 8.198 1.534 3.205 1.00 0.00 H new ATOM 0 HA ASN A 50 7.312 3.027 5.582 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.816 1.524 4.969 1.00 0.00 H new ATOM 0 HB3 ASN A 50 10.027 3.093 5.721 1.00 0.00 H new ATOM 0 HD21 ASN A 50 9.383 1.815 8.956 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.273 2.928 7.913 1.00 0.00 H new ATOM 699 N ALA A 51 8.298 5.187 4.462 1.00 0.00 N ATOM 700 CA ALA A 51 8.870 6.426 3.995 1.00 0.00 C ATOM 701 C ALA A 51 8.189 6.897 2.752 1.00 0.00 C ATOM 702 O ALA A 51 8.832 7.270 1.775 1.00 0.00 O ATOM 703 CB ALA A 51 10.400 6.422 3.802 1.00 0.00 C ATOM 0 H ALA A 51 7.657 5.335 5.241 1.00 0.00 H new ATOM 0 HA ALA A 51 8.691 7.128 4.809 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.725 7.401 3.449 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.886 6.199 4.752 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.672 5.663 3.068 1.00 0.00 H new ATOM 709 N LEU A 52 6.842 6.944 2.781 1.00 0.00 N ATOM 710 CA LEU A 52 6.089 7.433 1.652 1.00 0.00 C ATOM 711 C LEU A 52 5.919 8.898 1.899 1.00 0.00 C ATOM 712 O LEU A 52 5.572 9.233 3.030 1.00 0.00 O ATOM 713 CB LEU A 52 4.671 6.830 1.521 1.00 0.00 C ATOM 714 CG LEU A 52 4.655 5.379 1.001 1.00 0.00 C ATOM 715 CD1 LEU A 52 3.246 4.773 1.116 1.00 0.00 C ATOM 716 CD2 LEU A 52 5.171 5.282 -0.447 1.00 0.00 C ATOM 0 H LEU A 52 6.275 6.648 3.575 1.00 0.00 H new ATOM 0 HA LEU A 52 6.626 7.168 0.741 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.182 6.862 2.495 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.082 7.453 0.848 1.00 0.00 H new ATOM 0 HG LEU A 52 5.334 4.803 1.629 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.259 3.749 0.743 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.933 4.775 2.160 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.546 5.365 0.526 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.143 4.243 -0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.540 5.885 -1.099 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.196 5.650 -0.493 1.00 0.00 H new ATOM 728 N PRO A 53 6.141 9.810 0.961 1.00 0.00 N ATOM 729 CA PRO A 53 5.904 11.222 1.182 1.00 0.00 C ATOM 730 C PRO A 53 4.425 11.525 1.161 1.00 0.00 C ATOM 731 O PRO A 53 3.600 10.652 0.904 1.00 0.00 O ATOM 732 CB PRO A 53 6.654 11.916 0.031 1.00 0.00 C ATOM 733 CG PRO A 53 6.752 10.868 -1.084 1.00 0.00 C ATOM 734 CD PRO A 53 6.786 9.541 -0.327 1.00 0.00 C ATOM 0 HA PRO A 53 6.254 11.566 2.155 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.118 12.802 -0.309 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.643 12.245 0.349 1.00 0.00 H new ATOM 0 HG2 PRO A 53 5.899 10.922 -1.761 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.648 11.008 -1.688 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.257 8.762 -0.876 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.810 9.194 -0.189 1.00 0.00 H new ATOM 742 N ASP A 54 4.077 12.790 1.435 1.00 0.00 N ATOM 743 CA ASP A 54 2.716 13.227 1.651 1.00 0.00 C ATOM 744 C ASP A 54 1.960 13.441 0.361 1.00 0.00 C ATOM 745 O ASP A 54 0.803 13.857 0.379 1.00 0.00 O ATOM 746 CB ASP A 54 2.662 14.572 2.413 1.00 0.00 C ATOM 747 CG ASP A 54 3.299 14.463 3.803 1.00 0.00 C ATOM 748 OD1 ASP A 54 4.549 14.323 3.882 1.00 0.00 O ATOM 749 OD2 ASP A 54 2.540 14.530 4.806 1.00 0.00 O ATOM 0 H ASP A 54 4.759 13.545 1.511 1.00 0.00 H new ATOM 0 HA ASP A 54 2.257 12.425 2.229 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.179 15.338 1.835 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.625 14.893 2.512 1.00 0.00 H new ATOM 754 N ASN A 55 2.584 13.166 -0.804 1.00 0.00 N ATOM 755 CA ASN A 55 1.914 13.252 -2.086 1.00 0.00 C ATOM 756 C ASN A 55 1.425 11.884 -2.471 1.00 0.00 C ATOM 757 O ASN A 55 0.909 11.696 -3.571 1.00 0.00 O ATOM 758 CB ASN A 55 2.797 13.816 -3.234 1.00 0.00 C ATOM 759 CG ASN A 55 4.085 13.002 -3.430 1.00 0.00 C ATOM 760 OD1 ASN A 55 4.988 13.105 -2.594 1.00 0.00 O ATOM 761 ND2 ASN A 55 4.153 12.188 -4.522 1.00 0.00 N ATOM 0 H ASN A 55 3.561 12.881 -0.865 1.00 0.00 H new ATOM 0 HA ASN A 55 1.093 13.958 -1.958 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.226 13.817 -4.162 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.054 14.853 -3.016 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.985 11.620 -4.684 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.372 12.147 -5.177 1.00 0.00 H new ATOM 768 N VAL A 56 1.582 10.900 -1.563 1.00 0.00 N ATOM 769 CA VAL A 56 1.096 9.558 -1.728 1.00 0.00 C ATOM 770 C VAL A 56 -0.041 9.526 -0.740 1.00 0.00 C ATOM 771 O VAL A 56 -0.160 10.433 0.083 1.00 0.00 O ATOM 772 CB VAL A 56 2.167 8.504 -1.436 1.00 0.00 C ATOM 773 CG1 VAL A 56 1.822 7.177 -2.144 1.00 0.00 C ATOM 774 CG2 VAL A 56 3.540 9.041 -1.907 1.00 0.00 C ATOM 0 H VAL A 56 2.067 11.044 -0.677 1.00 0.00 H new ATOM 0 HA VAL A 56 0.795 9.320 -2.748 1.00 0.00 H new ATOM 0 HB VAL A 56 2.208 8.307 -0.365 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.593 6.438 -1.927 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.859 6.813 -1.786 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.770 7.342 -3.220 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.311 8.298 -1.704 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.504 9.243 -2.978 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.774 9.961 -1.372 1.00 0.00 H new ATOM 784 N GLY A 57 -0.913 8.500 -0.787 1.00 0.00 N ATOM 785 CA GLY A 57 -2.064 8.394 0.058 1.00 0.00 C ATOM 786 C GLY A 57 -2.153 6.913 0.115 1.00 0.00 C ATOM 787 O GLY A 57 -1.491 6.259 -0.695 1.00 0.00 O ATOM 0 H GLY A 57 -0.813 7.719 -1.435 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.914 8.848 1.038 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.952 8.856 -0.375 1.00 0.00 H new ATOM 791 N ILE A 58 -2.900 6.356 1.089 1.00 0.00 N ATOM 792 CA ILE A 58 -2.780 4.984 1.494 1.00 0.00 C ATOM 793 C ILE A 58 -4.135 4.659 2.056 1.00 0.00 C ATOM 794 O ILE A 58 -5.079 5.404 1.792 1.00 0.00 O ATOM 795 CB ILE A 58 -1.673 4.782 2.531 1.00 0.00 C ATOM 796 CG1 ILE A 58 -1.779 5.741 3.738 1.00 0.00 C ATOM 797 CG2 ILE A 58 -0.293 4.897 1.844 1.00 0.00 C ATOM 798 CD1 ILE A 58 -0.749 5.415 4.819 1.00 0.00 C ATOM 0 H ILE A 58 -3.608 6.874 1.610 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.499 4.332 0.667 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.795 3.781 2.944 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.637 6.767 3.399 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.781 5.681 4.162 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.495 4.753 2.584 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.207 4.135 1.070 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.192 5.885 1.394 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.859 6.113 5.649 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.907 4.398 5.177 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.255 5.501 4.403 1.00 0.00 H new ATOM 810 N ILE A 59 -4.261 3.535 2.819 1.00 0.00 N ATOM 811 CA ILE A 59 -5.529 2.916 3.145 1.00 0.00 C ATOM 812 C ILE A 59 -6.363 3.819 4.010 1.00 0.00 C ATOM 813 O ILE A 59 -5.977 4.200 5.112 1.00 0.00 O ATOM 814 CB ILE A 59 -5.471 1.560 3.865 1.00 0.00 C ATOM 815 CG1 ILE A 59 -4.184 0.753 3.619 1.00 0.00 C ATOM 816 CG2 ILE A 59 -6.723 0.728 3.504 1.00 0.00 C ATOM 817 CD1 ILE A 59 -3.910 0.389 2.167 1.00 0.00 C ATOM 0 H ILE A 59 -3.459 3.046 3.218 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.960 2.741 2.159 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.457 1.783 4.932 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.338 1.326 3.998 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.234 -0.166 4.203 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.681 -0.234 4.015 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.619 1.265 3.815 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.753 0.565 2.427 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -2.981 -0.178 2.103 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.731 -0.216 1.782 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.821 1.299 1.574 1.00 0.00 H new ATOM 829 N VAL A 60 -7.557 4.140 3.504 1.00 0.00 N ATOM 830 CA VAL A 60 -8.625 4.779 4.210 1.00 0.00 C ATOM 831 C VAL A 60 -9.584 3.630 4.418 1.00 0.00 C ATOM 832 O VAL A 60 -9.548 2.643 3.681 1.00 0.00 O ATOM 833 CB VAL A 60 -9.159 5.934 3.362 1.00 0.00 C ATOM 834 CG1 VAL A 60 -10.625 6.298 3.644 1.00 0.00 C ATOM 835 CG2 VAL A 60 -8.196 7.128 3.536 1.00 0.00 C ATOM 0 H VAL A 60 -7.799 3.941 2.533 1.00 0.00 H new ATOM 0 HA VAL A 60 -8.377 5.251 5.161 1.00 0.00 H new ATOM 0 HB VAL A 60 -9.182 5.621 2.318 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.925 7.126 3.001 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -11.259 5.435 3.443 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -10.732 6.592 4.688 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -8.550 7.971 2.942 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.159 7.415 4.587 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.198 6.843 3.202 1.00 0.00 H new