USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 849 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 TYR OH : rot 165:sc= 0.00884 USER MOD Set 1.2: A 19 LYS NZ :NH3+ -173:sc= 0.00981 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 5 ASN : amide:sc= -1.28 K(o=-1.3,f=-7.7!) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.124 USER MOD Single : A 15 GLN : amide:sc= -4.58! C(o=-4.6!,f=-16!) USER MOD Single : A 16 THR OG1 : rot 66:sc= 0.748 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS :FLIP no HD1:sc= -1.5 F(o=-3,f=-1.5) USER MOD Single : A 23 ASN :FLIP amide:sc= -1.55 F(o=-2.8!,f=-1.5) USER MOD Single : A 24 TYR OH : rot -88:sc= 1.1 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 149:sc= -0.0789 (180deg=-0.534) USER MOD Single : A 41 ASN : amide:sc= -4.96! C(o=-5!,f=-11!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 140:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0.0148 USER MOD Single : A 58 ASN : amide:sc= -4.04! C(o=-4!,f=-11!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 78 TYR OH : rot -18:sc= -1.22 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -3.71 K(o=-3.7,f=-7.9!) USER MOD Single : A 85 SER OG : rot 180:sc= 0.00591 USER MOD Single : A 90 TYR OH : rot 91:sc= -5.5! USER MOD Single : A 91 SER OG : rot 106:sc= 1.22 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= -1.57! USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 62:sc= -0.277 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HE2:sc= -0.569 K(o=-0.57,f=-4.7!) USER MOD Single : A 103 TYR OH : rot -85:sc= -4.17! USER MOD Single : A 104 GLN : amide:sc= -0.157 K(o=-0.16,f=-2.3!) USER MOD Single : A 105 THR OG1 : rot 112:sc= 0.473 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 12.170 11.612 1.891 1.00 0.00 N ATOM 2 CA ALA A 1 12.145 12.209 3.258 1.00 0.00 C ATOM 3 C ALA A 1 10.760 12.797 3.531 1.00 0.00 C ATOM 4 O ALA A 1 10.127 12.487 4.521 1.00 0.00 O ATOM 5 CB ALA A 1 13.198 13.316 3.348 1.00 0.00 C ATOM 0 H1 ALA A 1 13.112 11.212 1.704 1.00 0.00 H new ATOM 0 H2 ALA A 1 11.455 10.859 1.828 1.00 0.00 H new ATOM 0 H3 ALA A 1 11.961 12.348 1.187 1.00 0.00 H new ATOM 0 HA ALA A 1 12.364 11.438 3.997 1.00 0.00 H new ATOM 0 HB1 ALA A 1 13.181 13.754 4.346 1.00 0.00 H new ATOM 0 HB2 ALA A 1 14.185 12.896 3.152 1.00 0.00 H new ATOM 0 HB3 ALA A 1 12.979 14.088 2.610 1.00 0.00 H new ATOM 13 N GLN A 2 10.283 13.645 2.661 1.00 0.00 N ATOM 14 CA GLN A 2 8.938 14.251 2.870 1.00 0.00 C ATOM 15 C GLN A 2 7.978 13.743 1.793 1.00 0.00 C ATOM 16 O GLN A 2 8.089 14.091 0.635 1.00 0.00 O ATOM 17 CB GLN A 2 9.046 15.774 2.779 1.00 0.00 C ATOM 18 CG GLN A 2 9.877 16.299 3.951 1.00 0.00 C ATOM 19 CD GLN A 2 9.756 17.822 4.021 1.00 0.00 C ATOM 20 OE1 GLN A 2 9.677 18.484 3.005 1.00 0.00 O ATOM 21 NE2 GLN A 2 9.738 18.411 5.186 1.00 0.00 N ATOM 0 H GLN A 2 10.767 13.944 1.814 1.00 0.00 H new ATOM 0 HA GLN A 2 8.562 13.971 3.854 1.00 0.00 H new ATOM 0 HB2 GLN A 2 9.509 16.060 1.835 1.00 0.00 H new ATOM 0 HB3 GLN A 2 8.052 16.221 2.795 1.00 0.00 H new ATOM 0 HG2 GLN A 2 9.532 15.853 4.884 1.00 0.00 H new ATOM 0 HG3 GLN A 2 10.921 16.012 3.828 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.804 17.856 6.039 1.00 0.00 H new ATOM 0 HE22 GLN A 2 9.658 19.426 5.243 1.00 0.00 H new ATOM 30 N VAL A 3 7.034 12.922 2.165 1.00 0.00 N ATOM 31 CA VAL A 3 6.070 12.393 1.161 1.00 0.00 C ATOM 32 C VAL A 3 4.768 11.998 1.861 1.00 0.00 C ATOM 33 O VAL A 3 4.593 12.224 3.041 1.00 0.00 O ATOM 34 CB VAL A 3 6.672 11.168 0.473 1.00 0.00 C ATOM 35 CG1 VAL A 3 7.605 11.620 -0.652 1.00 0.00 C ATOM 36 CG2 VAL A 3 7.466 10.351 1.494 1.00 0.00 C ATOM 0 H VAL A 3 6.889 12.595 3.120 1.00 0.00 H new ATOM 0 HA VAL A 3 5.862 13.162 0.417 1.00 0.00 H new ATOM 0 HB VAL A 3 5.872 10.555 0.057 1.00 0.00 H new ATOM 0 HG11 VAL A 3 8.034 10.746 -1.142 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.041 12.204 -1.380 1.00 0.00 H new ATOM 0 HG13 VAL A 3 8.405 12.233 -0.237 1.00 0.00 H new ATOM 0 HG21 VAL A 3 7.896 9.477 1.005 1.00 0.00 H new ATOM 0 HG22 VAL A 3 8.265 10.965 1.909 1.00 0.00 H new ATOM 0 HG23 VAL A 3 6.803 10.028 2.297 1.00 0.00 H new ATOM 46 N ILE A 4 3.853 11.410 1.141 1.00 0.00 N ATOM 47 CA ILE A 4 2.562 11.002 1.765 1.00 0.00 C ATOM 48 C ILE A 4 2.540 9.483 1.946 1.00 0.00 C ATOM 49 O ILE A 4 2.445 8.736 0.991 1.00 0.00 O ATOM 50 CB ILE A 4 1.403 11.424 0.860 1.00 0.00 C ATOM 51 CG1 ILE A 4 1.666 12.832 0.320 1.00 0.00 C ATOM 52 CG2 ILE A 4 0.101 11.423 1.663 1.00 0.00 C ATOM 53 CD1 ILE A 4 1.772 12.781 -1.205 1.00 0.00 C ATOM 0 H ILE A 4 3.943 11.194 0.148 1.00 0.00 H new ATOM 0 HA ILE A 4 2.460 11.485 2.737 1.00 0.00 H new ATOM 0 HB ILE A 4 1.318 10.724 0.029 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.860 13.503 0.617 1.00 0.00 H new ATOM 0 HG13 ILE A 4 2.587 13.231 0.746 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.725 11.724 1.018 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.087 10.421 2.050 1.00 0.00 H new ATOM 0 HG23 ILE A 4 0.186 12.123 2.494 1.00 0.00 H new ATOM 0 HD11 ILE A 4 1.959 13.783 -1.590 1.00 0.00 H new ATOM 0 HD12 ILE A 4 2.593 12.123 -1.491 1.00 0.00 H new ATOM 0 HD13 ILE A 4 0.840 12.400 -1.622 1.00 0.00 H new ATOM 65 N ASN A 5 2.622 9.019 3.162 1.00 0.00 N ATOM 66 CA ASN A 5 2.603 7.549 3.402 1.00 0.00 C ATOM 67 C ASN A 5 1.840 7.252 4.694 1.00 0.00 C ATOM 68 O ASN A 5 2.413 6.848 5.687 1.00 0.00 O ATOM 69 CB ASN A 5 4.038 7.030 3.523 1.00 0.00 C ATOM 70 CG ASN A 5 4.742 7.737 4.683 1.00 0.00 C ATOM 71 OD1 ASN A 5 4.350 8.817 5.079 1.00 0.00 O ATOM 72 ND2 ASN A 5 5.772 7.169 5.247 1.00 0.00 N ATOM 0 H ASN A 5 2.701 9.595 4.000 1.00 0.00 H new ATOM 0 HA ASN A 5 2.109 7.052 2.567 1.00 0.00 H new ATOM 0 HB2 ASN A 5 4.033 5.953 3.689 1.00 0.00 H new ATOM 0 HB3 ASN A 5 4.579 7.207 2.594 1.00 0.00 H new ATOM 0 HD21 ASN A 5 6.249 7.631 6.021 1.00 0.00 H new ATOM 0 HD22 ASN A 5 6.100 6.263 4.914 1.00 0.00 H new ATOM 79 N THR A 6 0.551 7.447 4.689 1.00 0.00 N ATOM 80 CA THR A 6 -0.251 7.175 5.915 1.00 0.00 C ATOM 81 C THR A 6 -1.658 6.727 5.514 1.00 0.00 C ATOM 82 O THR A 6 -1.945 6.520 4.352 1.00 0.00 O ATOM 83 CB THR A 6 -0.343 8.449 6.758 1.00 0.00 C ATOM 84 OG1 THR A 6 -0.449 9.576 5.900 1.00 0.00 O ATOM 85 CG2 THR A 6 0.911 8.581 7.624 1.00 0.00 C ATOM 0 H THR A 6 0.017 7.784 3.888 1.00 0.00 H new ATOM 0 HA THR A 6 0.230 6.388 6.497 1.00 0.00 H new ATOM 0 HB THR A 6 -1.222 8.397 7.401 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.510 10.393 6.438 1.00 0.00 H new ATOM 0 HG21 THR A 6 0.845 9.489 8.224 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.991 7.716 8.282 1.00 0.00 H new ATOM 0 HG23 THR A 6 1.792 8.633 6.984 1.00 0.00 H new ATOM 93 N PHE A 7 -2.538 6.578 6.466 1.00 0.00 N ATOM 94 CA PHE A 7 -3.923 6.145 6.131 1.00 0.00 C ATOM 95 C PHE A 7 -4.706 7.333 5.572 1.00 0.00 C ATOM 96 O PHE A 7 -5.175 7.307 4.453 1.00 0.00 O ATOM 97 CB PHE A 7 -4.614 5.623 7.393 1.00 0.00 C ATOM 98 CG PHE A 7 -3.985 4.316 7.804 1.00 0.00 C ATOM 99 CD1 PHE A 7 -3.797 3.302 6.860 1.00 0.00 C ATOM 100 CD2 PHE A 7 -3.589 4.123 9.129 1.00 0.00 C ATOM 101 CE1 PHE A 7 -3.212 2.089 7.244 1.00 0.00 C ATOM 102 CE2 PHE A 7 -3.004 2.911 9.516 1.00 0.00 C ATOM 103 CZ PHE A 7 -2.814 1.894 8.572 1.00 0.00 C ATOM 0 H PHE A 7 -2.358 6.737 7.457 1.00 0.00 H new ATOM 0 HA PHE A 7 -3.886 5.352 5.385 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -4.524 6.352 8.198 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.679 5.484 7.207 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.103 3.454 5.835 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -3.734 4.909 9.856 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.068 1.304 6.516 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -2.700 2.761 10.541 1.00 0.00 H new ATOM 0 HZ PHE A 7 -2.361 0.960 8.868 1.00 0.00 H new ATOM 113 N ASP A 8 -4.852 8.373 6.342 1.00 0.00 N ATOM 114 CA ASP A 8 -5.603 9.564 5.854 1.00 0.00 C ATOM 115 C ASP A 8 -4.780 10.291 4.785 1.00 0.00 C ATOM 116 O ASP A 8 -5.316 10.855 3.850 1.00 0.00 O ATOM 117 CB ASP A 8 -5.868 10.513 7.025 1.00 0.00 C ATOM 118 CG ASP A 8 -7.371 10.562 7.311 1.00 0.00 C ATOM 119 OD1 ASP A 8 -7.914 9.542 7.701 1.00 0.00 O ATOM 120 OD2 ASP A 8 -7.952 11.620 7.135 1.00 0.00 O ATOM 0 H ASP A 8 -4.484 8.451 7.290 1.00 0.00 H new ATOM 0 HA ASP A 8 -6.551 9.242 5.423 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.329 10.175 7.910 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.499 11.511 6.789 1.00 0.00 H new ATOM 125 N GLY A 9 -3.481 10.286 4.920 1.00 0.00 N ATOM 126 CA GLY A 9 -2.622 10.983 3.920 1.00 0.00 C ATOM 127 C GLY A 9 -2.706 10.266 2.573 1.00 0.00 C ATOM 128 O GLY A 9 -2.933 10.877 1.548 1.00 0.00 O ATOM 0 H GLY A 9 -2.977 9.829 5.680 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -2.943 12.019 3.811 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -1.589 11.004 4.267 1.00 0.00 H new ATOM 132 N VAL A 10 -2.519 8.976 2.564 1.00 0.00 N ATOM 133 CA VAL A 10 -2.586 8.228 1.278 1.00 0.00 C ATOM 134 C VAL A 10 -4.016 8.269 0.743 1.00 0.00 C ATOM 135 O VAL A 10 -4.245 8.550 -0.417 1.00 0.00 O ATOM 136 CB VAL A 10 -2.161 6.776 1.503 1.00 0.00 C ATOM 137 CG1 VAL A 10 -2.370 5.977 0.215 1.00 0.00 C ATOM 138 CG2 VAL A 10 -0.683 6.734 1.894 1.00 0.00 C ATOM 0 H VAL A 10 -2.323 8.409 3.389 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.914 8.689 0.554 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.762 6.341 2.301 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.067 4.942 0.375 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.423 6.008 -0.065 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.769 6.411 -0.584 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.378 5.700 2.055 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.083 7.169 1.095 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.533 7.303 2.811 1.00 0.00 H new ATOM 148 N ALA A 11 -4.981 8.003 1.576 1.00 0.00 N ATOM 149 CA ALA A 11 -6.393 8.044 1.109 1.00 0.00 C ATOM 150 C ALA A 11 -6.653 9.412 0.482 1.00 0.00 C ATOM 151 O ALA A 11 -7.336 9.534 -0.516 1.00 0.00 O ATOM 152 CB ALA A 11 -7.334 7.833 2.296 1.00 0.00 C ATOM 0 H ALA A 11 -4.854 7.759 2.558 1.00 0.00 H new ATOM 0 HA ALA A 11 -6.569 7.257 0.376 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -8.367 7.864 1.951 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -7.132 6.864 2.752 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -7.174 8.621 3.032 1.00 0.00 H new ATOM 158 N ASP A 12 -6.099 10.443 1.060 1.00 0.00 N ATOM 159 CA ASP A 12 -6.297 11.808 0.502 1.00 0.00 C ATOM 160 C ASP A 12 -5.673 11.878 -0.892 1.00 0.00 C ATOM 161 O ASP A 12 -6.326 12.214 -1.860 1.00 0.00 O ATOM 162 CB ASP A 12 -5.616 12.832 1.410 1.00 0.00 C ATOM 163 CG ASP A 12 -6.673 13.588 2.216 1.00 0.00 C ATOM 164 OD1 ASP A 12 -7.557 12.938 2.751 1.00 0.00 O ATOM 165 OD2 ASP A 12 -6.582 14.802 2.284 1.00 0.00 O ATOM 0 H ASP A 12 -5.517 10.397 1.896 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.363 12.026 0.440 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.921 12.330 2.083 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.032 13.531 0.812 1.00 0.00 H new ATOM 170 N TYR A 13 -4.412 11.561 -1.002 1.00 0.00 N ATOM 171 CA TYR A 13 -3.748 11.606 -2.335 1.00 0.00 C ATOM 172 C TYR A 13 -4.486 10.678 -3.301 1.00 0.00 C ATOM 173 O TYR A 13 -4.395 10.817 -4.505 1.00 0.00 O ATOM 174 CB TYR A 13 -2.294 11.149 -2.197 1.00 0.00 C ATOM 175 CG TYR A 13 -1.534 11.504 -3.452 1.00 0.00 C ATOM 176 CD1 TYR A 13 -1.072 12.812 -3.644 1.00 0.00 C ATOM 177 CD2 TYR A 13 -1.293 10.527 -4.425 1.00 0.00 C ATOM 178 CE1 TYR A 13 -0.370 13.142 -4.808 1.00 0.00 C ATOM 179 CE2 TYR A 13 -0.591 10.858 -5.590 1.00 0.00 C ATOM 180 CZ TYR A 13 -0.129 12.166 -5.781 1.00 0.00 C ATOM 181 OH TYR A 13 0.562 12.493 -6.930 1.00 0.00 O ATOM 0 H TYR A 13 -3.814 11.273 -0.228 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.772 12.625 -2.720 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.832 11.626 -1.332 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.254 10.073 -2.027 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.258 13.566 -2.893 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.649 9.518 -4.277 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.014 14.151 -4.956 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.406 10.105 -6.341 1.00 0.00 H new ATOM 0 HH TYR A 13 0.850 11.673 -7.383 1.00 0.00 H new ATOM 191 N LEU A 14 -5.221 9.734 -2.779 1.00 0.00 N ATOM 192 CA LEU A 14 -5.969 8.795 -3.660 1.00 0.00 C ATOM 193 C LEU A 14 -7.191 9.510 -4.240 1.00 0.00 C ATOM 194 O LEU A 14 -7.296 9.709 -5.432 1.00 0.00 O ATOM 195 CB LEU A 14 -6.424 7.584 -2.842 1.00 0.00 C ATOM 196 CG LEU A 14 -5.347 6.496 -2.887 1.00 0.00 C ATOM 197 CD1 LEU A 14 -5.232 5.835 -1.512 1.00 0.00 C ATOM 198 CD2 LEU A 14 -5.732 5.438 -3.923 1.00 0.00 C ATOM 0 H LEU A 14 -5.335 9.573 -1.778 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.323 8.461 -4.472 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.612 7.880 -1.810 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.362 7.197 -3.239 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.392 6.945 -3.160 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.466 5.061 -1.544 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.960 6.585 -0.769 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.189 5.388 -1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.965 4.664 -3.955 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.688 4.991 -3.649 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.818 5.904 -4.905 1.00 0.00 H new ATOM 210 N GLN A 15 -8.114 9.907 -3.408 1.00 0.00 N ATOM 211 CA GLN A 15 -9.319 10.618 -3.924 1.00 0.00 C ATOM 212 C GLN A 15 -8.918 12.015 -4.404 1.00 0.00 C ATOM 213 O GLN A 15 -9.715 12.743 -4.962 1.00 0.00 O ATOM 214 CB GLN A 15 -10.358 10.737 -2.806 1.00 0.00 C ATOM 215 CG GLN A 15 -10.974 9.363 -2.536 1.00 0.00 C ATOM 216 CD GLN A 15 -11.830 9.424 -1.270 1.00 0.00 C ATOM 217 OE1 GLN A 15 -11.364 9.116 -0.191 1.00 0.00 O ATOM 218 NE2 GLN A 15 -13.074 9.811 -1.356 1.00 0.00 N ATOM 0 H GLN A 15 -8.087 9.771 -2.397 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.746 10.058 -4.756 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.891 11.123 -1.900 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -11.135 11.446 -3.091 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -11.584 9.054 -3.385 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -10.188 8.617 -2.420 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -13.466 10.070 -2.261 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -13.654 9.855 -0.518 1.00 0.00 H new ATOM 227 N THR A 16 -7.686 12.396 -4.192 1.00 0.00 N ATOM 228 CA THR A 16 -7.232 13.746 -4.633 1.00 0.00 C ATOM 229 C THR A 16 -6.587 13.646 -6.010 1.00 0.00 C ATOM 230 O THR A 16 -7.096 14.149 -6.992 1.00 0.00 O ATOM 231 CB THR A 16 -6.212 14.291 -3.629 1.00 0.00 C ATOM 232 OG1 THR A 16 -6.835 14.445 -2.361 1.00 0.00 O ATOM 233 CG2 THR A 16 -5.692 15.647 -4.111 1.00 0.00 C ATOM 0 H THR A 16 -6.974 11.829 -3.732 1.00 0.00 H new ATOM 0 HA THR A 16 -8.089 14.418 -4.685 1.00 0.00 H new ATOM 0 HB THR A 16 -5.378 13.594 -3.544 1.00 0.00 H new ATOM 0 HG1 THR A 16 -7.084 13.565 -2.010 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.966 16.034 -3.396 1.00 0.00 H new ATOM 0 HG22 THR A 16 -5.215 15.529 -5.084 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.524 16.346 -4.197 1.00 0.00 H new ATOM 241 N TYR A 17 -5.467 12.999 -6.083 1.00 0.00 N ATOM 242 CA TYR A 17 -4.764 12.855 -7.390 1.00 0.00 C ATOM 243 C TYR A 17 -5.249 11.586 -8.096 1.00 0.00 C ATOM 244 O TYR A 17 -4.769 11.232 -9.155 1.00 0.00 O ATOM 245 CB TYR A 17 -3.257 12.756 -7.150 1.00 0.00 C ATOM 246 CG TYR A 17 -2.711 14.119 -6.798 1.00 0.00 C ATOM 247 CD1 TYR A 17 -2.733 14.559 -5.469 1.00 0.00 C ATOM 248 CD2 TYR A 17 -2.182 14.941 -7.800 1.00 0.00 C ATOM 249 CE1 TYR A 17 -2.225 15.823 -5.143 1.00 0.00 C ATOM 250 CE2 TYR A 17 -1.676 16.205 -7.473 1.00 0.00 C ATOM 251 CZ TYR A 17 -1.697 16.646 -6.145 1.00 0.00 C ATOM 252 OH TYR A 17 -1.198 17.891 -5.824 1.00 0.00 O ATOM 0 H TYR A 17 -5.000 12.558 -5.291 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.979 13.723 -8.013 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -3.052 12.052 -6.344 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.761 12.373 -8.042 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.141 13.925 -4.696 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -2.164 14.600 -8.825 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.241 16.163 -4.118 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -1.269 16.840 -8.246 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.869 18.331 -6.636 1.00 0.00 H new ATOM 262 N HIS A 18 -6.194 10.898 -7.519 1.00 0.00 N ATOM 263 CA HIS A 18 -6.707 9.653 -8.155 1.00 0.00 C ATOM 264 C HIS A 18 -5.529 8.822 -8.665 1.00 0.00 C ATOM 265 O HIS A 18 -5.495 8.402 -9.805 1.00 0.00 O ATOM 266 CB HIS A 18 -7.634 10.019 -9.313 1.00 0.00 C ATOM 267 CG HIS A 18 -8.923 10.552 -8.754 1.00 0.00 C ATOM 268 ND1 HIS A 18 -9.257 11.016 -7.505 1.00 0.00 N flip ATOM 269 CD2 HIS A 18 -10.079 10.647 -9.513 1.00 0.00 C flip ATOM 270 CE1 HIS A 18 -10.595 11.392 -7.485 1.00 0.00 C flip ATOM 271 NE2 HIS A 18 -11.043 11.150 -8.718 1.00 0.00 N flip ATOM 0 H HIS A 18 -6.634 11.145 -6.633 1.00 0.00 H new ATOM 0 HA HIS A 18 -7.266 9.068 -7.424 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -7.163 10.766 -9.952 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -7.826 9.144 -9.934 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -10.187 10.369 -10.551 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -11.152 11.793 -6.651 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -12.001 11.325 -9.022 1.00 0.00 H new ATOM 279 N LYS A 19 -4.565 8.583 -7.820 1.00 0.00 N ATOM 280 CA LYS A 19 -3.382 7.779 -8.234 1.00 0.00 C ATOM 281 C LYS A 19 -2.370 7.760 -7.087 1.00 0.00 C ATOM 282 O LYS A 19 -2.022 8.786 -6.538 1.00 0.00 O ATOM 283 CB LYS A 19 -2.738 8.409 -9.471 1.00 0.00 C ATOM 284 CG LYS A 19 -2.311 9.844 -9.152 1.00 0.00 C ATOM 285 CD LYS A 19 -2.267 10.663 -10.445 1.00 0.00 C ATOM 286 CE LYS A 19 -0.811 10.944 -10.823 1.00 0.00 C ATOM 287 NZ LYS A 19 -0.310 12.109 -10.039 1.00 0.00 N ATOM 0 H LYS A 19 -4.546 8.912 -6.855 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.694 6.762 -8.472 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.874 7.822 -9.782 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.443 8.405 -10.303 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.010 10.295 -8.447 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.331 9.846 -8.674 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.764 10.120 -11.249 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.807 11.601 -10.312 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.196 10.066 -10.623 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.735 11.150 -11.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.636 12.375 -10.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.959 12.913 -10.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.257 11.853 -9.032 1.00 0.00 H new ATOM 301 N LEU A 20 -1.898 6.602 -6.714 1.00 0.00 N ATOM 302 CA LEU A 20 -0.912 6.524 -5.598 1.00 0.00 C ATOM 303 C LEU A 20 0.137 7.628 -5.767 1.00 0.00 C ATOM 304 O LEU A 20 0.315 8.152 -6.848 1.00 0.00 O ATOM 305 CB LEU A 20 -0.215 5.160 -5.624 1.00 0.00 C ATOM 306 CG LEU A 20 -1.143 4.087 -5.051 1.00 0.00 C ATOM 307 CD1 LEU A 20 -0.357 2.789 -4.856 1.00 0.00 C ATOM 308 CD2 LEU A 20 -1.695 4.553 -3.701 1.00 0.00 C ATOM 0 H LEU A 20 -2.152 5.707 -7.133 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.431 6.652 -4.648 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.063 4.904 -6.646 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.707 5.202 -5.044 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.969 3.916 -5.741 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.016 2.023 -4.448 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.037 2.455 -5.816 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.468 2.964 -4.165 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.356 3.787 -3.294 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.870 4.724 -3.010 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.253 5.479 -3.836 1.00 0.00 H new ATOM 320 N PRO A 21 0.806 7.942 -4.686 1.00 0.00 N ATOM 321 CA PRO A 21 1.853 8.979 -4.683 1.00 0.00 C ATOM 322 C PRO A 21 2.913 8.674 -5.740 1.00 0.00 C ATOM 323 O PRO A 21 3.069 7.549 -6.174 1.00 0.00 O ATOM 324 CB PRO A 21 2.470 8.909 -3.281 1.00 0.00 C ATOM 325 CG PRO A 21 1.623 7.915 -2.445 1.00 0.00 C ATOM 326 CD PRO A 21 0.574 7.294 -3.382 1.00 0.00 C ATOM 0 HA PRO A 21 1.452 9.966 -4.912 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.507 8.577 -3.335 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.475 9.894 -2.815 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.257 7.140 -2.014 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.138 8.429 -1.615 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.695 6.213 -3.450 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -0.438 7.480 -3.022 1.00 0.00 H new ATOM 334 N ASP A 22 3.654 9.667 -6.146 1.00 0.00 N ATOM 335 CA ASP A 22 4.714 9.432 -7.160 1.00 0.00 C ATOM 336 C ASP A 22 5.856 8.648 -6.512 1.00 0.00 C ATOM 337 O ASP A 22 6.802 8.253 -7.165 1.00 0.00 O ATOM 338 CB ASP A 22 5.239 10.773 -7.676 1.00 0.00 C ATOM 339 CG ASP A 22 4.343 11.269 -8.811 1.00 0.00 C ATOM 340 OD1 ASP A 22 4.547 10.835 -9.933 1.00 0.00 O ATOM 341 OD2 ASP A 22 3.468 12.075 -8.540 1.00 0.00 O ATOM 0 H ASP A 22 3.570 10.629 -5.819 1.00 0.00 H new ATOM 0 HA ASP A 22 4.305 8.864 -7.996 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.258 11.504 -6.867 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.264 10.663 -8.030 1.00 0.00 H new ATOM 346 N ASN A 23 5.775 8.417 -5.228 1.00 0.00 N ATOM 347 CA ASN A 23 6.855 7.656 -4.540 1.00 0.00 C ATOM 348 C ASN A 23 6.317 6.296 -4.095 1.00 0.00 C ATOM 349 O ASN A 23 6.722 5.760 -3.084 1.00 0.00 O ATOM 350 CB ASN A 23 7.334 8.441 -3.315 1.00 0.00 C ATOM 351 CG ASN A 23 6.179 8.595 -2.324 1.00 0.00 C ATOM 352 OD1 ASN A 23 5.316 9.559 -2.491 1.00 0.00 O flip ATOM 353 ND2 ASN A 23 6.062 7.831 -1.387 1.00 0.00 N flip ATOM 0 H ASN A 23 5.009 8.722 -4.628 1.00 0.00 H new ATOM 0 HA ASN A 23 7.689 7.510 -5.226 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.167 7.923 -2.841 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.700 9.422 -3.619 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.737 7.077 -1.256 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.289 7.943 -0.731 1.00 0.00 H new ATOM 360 N TYR A 24 5.408 5.728 -4.841 1.00 0.00 N ATOM 361 CA TYR A 24 4.853 4.399 -4.453 1.00 0.00 C ATOM 362 C TYR A 24 5.239 3.362 -5.506 1.00 0.00 C ATOM 363 O TYR A 24 4.460 3.021 -6.373 1.00 0.00 O ATOM 364 CB TYR A 24 3.328 4.485 -4.356 1.00 0.00 C ATOM 365 CG TYR A 24 2.916 4.633 -2.908 1.00 0.00 C ATOM 366 CD1 TYR A 24 3.819 5.143 -1.966 1.00 0.00 C ATOM 367 CD2 TYR A 24 1.628 4.259 -2.507 1.00 0.00 C ATOM 368 CE1 TYR A 24 3.434 5.277 -0.627 1.00 0.00 C ATOM 369 CE2 TYR A 24 1.243 4.393 -1.168 1.00 0.00 C ATOM 370 CZ TYR A 24 2.146 4.902 -0.228 1.00 0.00 C ATOM 371 OH TYR A 24 1.767 5.034 1.093 1.00 0.00 O ATOM 0 H TYR A 24 5.027 6.125 -5.700 1.00 0.00 H new ATOM 0 HA TYR A 24 5.259 4.106 -3.485 1.00 0.00 H new ATOM 0 HB2 TYR A 24 2.964 5.333 -4.936 1.00 0.00 H new ATOM 0 HB3 TYR A 24 2.876 3.590 -4.783 1.00 0.00 H new ATOM 0 HD1 TYR A 24 4.813 5.433 -2.273 1.00 0.00 H new ATOM 0 HD2 TYR A 24 0.930 3.866 -3.232 1.00 0.00 H new ATOM 0 HE1 TYR A 24 4.131 5.670 0.098 1.00 0.00 H new ATOM 0 HE2 TYR A 24 0.249 4.104 -0.860 1.00 0.00 H new ATOM 0 HH TYR A 24 2.004 4.220 1.584 1.00 0.00 H new ATOM 381 N ILE A 25 6.438 2.850 -5.433 1.00 0.00 N ATOM 382 CA ILE A 25 6.871 1.830 -6.426 1.00 0.00 C ATOM 383 C ILE A 25 6.474 0.444 -5.920 1.00 0.00 C ATOM 384 O ILE A 25 6.844 0.043 -4.837 1.00 0.00 O ATOM 385 CB ILE A 25 8.390 1.894 -6.599 1.00 0.00 C ATOM 386 CG1 ILE A 25 9.066 1.757 -5.232 1.00 0.00 C ATOM 387 CG2 ILE A 25 8.776 3.236 -7.224 1.00 0.00 C ATOM 388 CD1 ILE A 25 10.141 0.671 -5.302 1.00 0.00 C ATOM 0 H ILE A 25 7.134 3.095 -4.729 1.00 0.00 H new ATOM 0 HA ILE A 25 6.392 2.025 -7.386 1.00 0.00 H new ATOM 0 HB ILE A 25 8.715 1.082 -7.249 1.00 0.00 H new ATOM 0 HG12 ILE A 25 9.512 2.707 -4.938 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.327 1.503 -4.472 1.00 0.00 H new ATOM 0 HG21 ILE A 25 9.858 3.282 -7.347 1.00 0.00 H new ATOM 0 HG22 ILE A 25 8.295 3.336 -8.197 1.00 0.00 H new ATOM 0 HG23 ILE A 25 8.450 4.048 -6.573 1.00 0.00 H new ATOM 0 HD11 ILE A 25 10.623 0.573 -4.329 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.682 -0.278 -5.577 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.886 0.944 -6.050 1.00 0.00 H new ATOM 400 N THR A 26 5.719 -0.290 -6.691 1.00 0.00 N ATOM 401 CA THR A 26 5.299 -1.648 -6.242 1.00 0.00 C ATOM 402 C THR A 26 6.514 -2.399 -5.696 1.00 0.00 C ATOM 403 O THR A 26 7.629 -1.920 -5.755 1.00 0.00 O ATOM 404 CB THR A 26 4.710 -2.418 -7.422 1.00 0.00 C ATOM 405 OG1 THR A 26 5.693 -2.551 -8.439 1.00 0.00 O ATOM 406 CG2 THR A 26 3.499 -1.665 -7.974 1.00 0.00 C ATOM 0 H THR A 26 5.376 -0.009 -7.610 1.00 0.00 H new ATOM 0 HA THR A 26 4.545 -1.556 -5.460 1.00 0.00 H new ATOM 0 HB THR A 26 4.397 -3.407 -7.089 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.316 -3.047 -9.196 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.080 -2.216 -8.816 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.745 -1.567 -7.193 1.00 0.00 H new ATOM 0 HG23 THR A 26 3.807 -0.674 -8.307 1.00 0.00 H new ATOM 414 N LYS A 27 6.315 -3.575 -5.167 1.00 0.00 N ATOM 415 CA LYS A 27 7.477 -4.338 -4.624 1.00 0.00 C ATOM 416 C LYS A 27 8.352 -4.807 -5.785 1.00 0.00 C ATOM 417 O LYS A 27 9.561 -4.682 -5.753 1.00 0.00 O ATOM 418 CB LYS A 27 7.019 -5.554 -3.805 1.00 0.00 C ATOM 419 CG LYS A 27 5.545 -5.424 -3.406 1.00 0.00 C ATOM 420 CD LYS A 27 4.672 -6.138 -4.440 1.00 0.00 C ATOM 421 CE LYS A 27 3.602 -6.964 -3.723 1.00 0.00 C ATOM 422 NZ LYS A 27 4.107 -8.349 -3.502 1.00 0.00 N ATOM 0 H LYS A 27 5.409 -4.037 -5.087 1.00 0.00 H new ATOM 0 HA LYS A 27 8.041 -3.680 -3.963 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.163 -6.464 -4.387 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.635 -5.647 -2.910 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.385 -5.857 -2.418 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.266 -4.372 -3.342 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.202 -5.409 -5.100 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.287 -6.785 -5.066 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.349 -6.501 -2.769 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.688 -6.989 -4.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.380 -8.910 -3.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.327 -8.789 -4.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.967 -8.316 -2.918 1.00 0.00 H new ATOM 436 N SER A 28 7.756 -5.335 -6.818 1.00 0.00 N ATOM 437 CA SER A 28 8.566 -5.795 -7.979 1.00 0.00 C ATOM 438 C SER A 28 9.478 -4.650 -8.413 1.00 0.00 C ATOM 439 O SER A 28 10.593 -4.855 -8.855 1.00 0.00 O ATOM 440 CB SER A 28 7.640 -6.183 -9.133 1.00 0.00 C ATOM 441 OG SER A 28 7.050 -7.446 -8.858 1.00 0.00 O ATOM 0 H SER A 28 6.749 -5.467 -6.908 1.00 0.00 H new ATOM 0 HA SER A 28 9.162 -6.664 -7.700 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.865 -5.427 -9.262 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.202 -6.227 -10.066 1.00 0.00 H new ATOM 0 HG SER A 28 6.455 -7.696 -9.595 1.00 0.00 H new ATOM 447 N GLU A 29 9.013 -3.439 -8.275 1.00 0.00 N ATOM 448 CA GLU A 29 9.848 -2.272 -8.661 1.00 0.00 C ATOM 449 C GLU A 29 11.110 -2.269 -7.802 1.00 0.00 C ATOM 450 O GLU A 29 12.208 -2.110 -8.293 1.00 0.00 O ATOM 451 CB GLU A 29 9.067 -0.979 -8.426 1.00 0.00 C ATOM 452 CG GLU A 29 8.371 -0.558 -9.722 1.00 0.00 C ATOM 453 CD GLU A 29 9.269 0.411 -10.491 1.00 0.00 C ATOM 454 OE1 GLU A 29 10.158 -0.057 -11.181 1.00 0.00 O ATOM 455 OE2 GLU A 29 9.050 1.606 -10.378 1.00 0.00 O ATOM 0 H GLU A 29 8.088 -3.209 -7.911 1.00 0.00 H new ATOM 0 HA GLU A 29 10.114 -2.339 -9.716 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.330 -1.126 -7.636 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.741 -0.191 -8.091 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.156 -1.435 -10.333 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.415 -0.084 -9.497 1.00 0.00 H new ATOM 462 N ALA A 30 10.962 -2.457 -6.518 1.00 0.00 N ATOM 463 CA ALA A 30 12.159 -2.476 -5.635 1.00 0.00 C ATOM 464 C ALA A 30 13.055 -3.639 -6.054 1.00 0.00 C ATOM 465 O ALA A 30 14.266 -3.547 -6.023 1.00 0.00 O ATOM 466 CB ALA A 30 11.723 -2.659 -4.179 1.00 0.00 C ATOM 0 H ALA A 30 10.069 -2.597 -6.046 1.00 0.00 H new ATOM 0 HA ALA A 30 12.703 -1.536 -5.725 1.00 0.00 H new ATOM 0 HB1 ALA A 30 12.602 -2.673 -3.535 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.072 -1.834 -3.888 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.184 -3.601 -4.076 1.00 0.00 H new ATOM 472 N GLN A 31 12.466 -4.730 -6.458 1.00 0.00 N ATOM 473 CA GLN A 31 13.282 -5.895 -6.892 1.00 0.00 C ATOM 474 C GLN A 31 14.069 -5.501 -8.140 1.00 0.00 C ATOM 475 O GLN A 31 15.181 -5.940 -8.352 1.00 0.00 O ATOM 476 CB GLN A 31 12.363 -7.076 -7.215 1.00 0.00 C ATOM 477 CG GLN A 31 11.728 -7.596 -5.923 1.00 0.00 C ATOM 478 CD GLN A 31 11.366 -9.073 -6.091 1.00 0.00 C ATOM 479 OE1 GLN A 31 12.236 -9.912 -6.220 1.00 0.00 O ATOM 480 NE2 GLN A 31 10.111 -9.428 -6.094 1.00 0.00 N ATOM 0 H GLN A 31 11.456 -4.864 -6.506 1.00 0.00 H new ATOM 0 HA GLN A 31 13.967 -6.187 -6.096 1.00 0.00 H new ATOM 0 HB2 GLN A 31 11.587 -6.766 -7.915 1.00 0.00 H new ATOM 0 HB3 GLN A 31 12.931 -7.871 -7.699 1.00 0.00 H new ATOM 0 HG2 GLN A 31 12.420 -7.473 -5.090 1.00 0.00 H new ATOM 0 HG3 GLN A 31 10.836 -7.017 -5.685 1.00 0.00 H new ATOM 0 HE21 GLN A 31 9.381 -8.723 -5.986 1.00 0.00 H new ATOM 0 HE22 GLN A 31 9.859 -10.410 -6.205 1.00 0.00 H new ATOM 489 N ALA A 32 13.498 -4.667 -8.968 1.00 0.00 N ATOM 490 CA ALA A 32 14.210 -4.237 -10.195 1.00 0.00 C ATOM 491 C ALA A 32 15.490 -3.507 -9.806 1.00 0.00 C ATOM 492 O ALA A 32 16.519 -3.638 -10.439 1.00 0.00 O ATOM 493 CB ALA A 32 13.314 -3.301 -11.009 1.00 0.00 C ATOM 0 H ALA A 32 12.568 -4.267 -8.843 1.00 0.00 H new ATOM 0 HA ALA A 32 14.457 -5.112 -10.797 1.00 0.00 H new ATOM 0 HB1 ALA A 32 13.840 -2.987 -11.910 1.00 0.00 H new ATOM 0 HB2 ALA A 32 12.399 -3.824 -11.287 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.064 -2.425 -10.411 1.00 0.00 H new ATOM 499 N LEU A 33 15.424 -2.741 -8.764 1.00 0.00 N ATOM 500 CA LEU A 33 16.621 -1.985 -8.304 1.00 0.00 C ATOM 501 C LEU A 33 17.531 -2.898 -7.481 1.00 0.00 C ATOM 502 O LEU A 33 18.641 -2.541 -7.138 1.00 0.00 O ATOM 503 CB LEU A 33 16.164 -0.804 -7.460 1.00 0.00 C ATOM 504 CG LEU A 33 15.470 0.202 -8.373 1.00 0.00 C ATOM 505 CD1 LEU A 33 13.955 0.101 -8.190 1.00 0.00 C ATOM 506 CD2 LEU A 33 15.947 1.608 -8.026 1.00 0.00 C ATOM 0 H LEU A 33 14.585 -2.601 -8.201 1.00 0.00 H new ATOM 0 HA LEU A 33 17.181 -1.623 -9.166 1.00 0.00 H new ATOM 0 HB2 LEU A 33 15.483 -1.138 -6.677 1.00 0.00 H new ATOM 0 HB3 LEU A 33 17.017 -0.340 -6.964 1.00 0.00 H new ATOM 0 HG LEU A 33 15.715 -0.014 -9.413 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.461 0.820 -8.843 1.00 0.00 H new ATOM 0 HD12 LEU A 33 13.624 -0.906 -8.444 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.699 0.317 -7.153 1.00 0.00 H new ATOM 0 HD21 LEU A 33 15.454 2.330 -8.676 1.00 0.00 H new ATOM 0 HD22 LEU A 33 15.703 1.829 -6.987 1.00 0.00 H new ATOM 0 HD23 LEU A 33 17.026 1.671 -8.167 1.00 0.00 H new ATOM 518 N GLY A 34 17.067 -4.071 -7.163 1.00 0.00 N ATOM 519 CA GLY A 34 17.902 -5.012 -6.362 1.00 0.00 C ATOM 520 C GLY A 34 17.436 -4.997 -4.905 1.00 0.00 C ATOM 521 O GLY A 34 18.110 -4.487 -4.033 1.00 0.00 O ATOM 0 H GLY A 34 16.145 -4.422 -7.422 1.00 0.00 H new ATOM 0 HA2 GLY A 34 17.824 -6.020 -6.769 1.00 0.00 H new ATOM 0 HA3 GLY A 34 18.952 -4.724 -6.422 1.00 0.00 H new ATOM 525 N TRP A 35 16.285 -5.551 -4.633 1.00 0.00 N ATOM 526 CA TRP A 35 15.778 -5.565 -3.233 1.00 0.00 C ATOM 527 C TRP A 35 15.391 -6.996 -2.845 1.00 0.00 C ATOM 528 O TRP A 35 14.775 -7.714 -3.607 1.00 0.00 O ATOM 529 CB TRP A 35 14.560 -4.625 -3.125 1.00 0.00 C ATOM 530 CG TRP A 35 13.556 -5.149 -2.136 1.00 0.00 C ATOM 531 CD1 TRP A 35 13.750 -5.255 -0.801 1.00 0.00 C ATOM 532 CD2 TRP A 35 12.212 -5.642 -2.393 1.00 0.00 C ATOM 533 NE1 TRP A 35 12.601 -5.775 -0.224 1.00 0.00 N ATOM 534 CE2 TRP A 35 11.625 -6.029 -1.167 1.00 0.00 C ATOM 535 CE3 TRP A 35 11.453 -5.783 -3.563 1.00 0.00 C ATOM 536 CZ2 TRP A 35 10.326 -6.540 -1.110 1.00 0.00 C ATOM 537 CZ3 TRP A 35 10.149 -6.297 -3.510 1.00 0.00 C ATOM 538 CH2 TRP A 35 9.587 -6.674 -2.285 1.00 0.00 C ATOM 0 H TRP A 35 15.675 -5.994 -5.320 1.00 0.00 H new ATOM 0 HA TRP A 35 16.554 -5.217 -2.551 1.00 0.00 H new ATOM 0 HB2 TRP A 35 14.890 -3.631 -2.821 1.00 0.00 H new ATOM 0 HB3 TRP A 35 14.090 -4.520 -4.103 1.00 0.00 H new ATOM 0 HD1 TRP A 35 14.651 -4.980 -0.272 1.00 0.00 H new ATOM 0 HE1 TRP A 35 12.490 -5.949 0.775 1.00 0.00 H new ATOM 0 HE3 TRP A 35 11.876 -5.493 -4.514 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 9.897 -6.829 -0.162 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 9.576 -6.402 -4.419 1.00 0.00 H new ATOM 0 HH2 TRP A 35 8.582 -7.068 -2.250 1.00 0.00 H new ATOM 549 N VAL A 36 15.733 -7.402 -1.654 1.00 0.00 N ATOM 550 CA VAL A 36 15.368 -8.770 -1.204 1.00 0.00 C ATOM 551 C VAL A 36 13.996 -8.700 -0.537 1.00 0.00 C ATOM 552 O VAL A 36 13.759 -7.878 0.326 1.00 0.00 O ATOM 553 CB VAL A 36 16.407 -9.279 -0.205 1.00 0.00 C ATOM 554 CG1 VAL A 36 16.248 -8.541 1.126 1.00 0.00 C ATOM 555 CG2 VAL A 36 16.205 -10.780 0.019 1.00 0.00 C ATOM 0 H VAL A 36 16.250 -6.844 -0.974 1.00 0.00 H new ATOM 0 HA VAL A 36 15.339 -9.453 -2.053 1.00 0.00 H new ATOM 0 HB VAL A 36 17.406 -9.099 -0.601 1.00 0.00 H new ATOM 0 HG11 VAL A 36 16.990 -8.906 1.836 1.00 0.00 H new ATOM 0 HG12 VAL A 36 16.392 -7.472 0.969 1.00 0.00 H new ATOM 0 HG13 VAL A 36 15.248 -8.718 1.523 1.00 0.00 H new ATOM 0 HG21 VAL A 36 16.945 -11.144 0.731 1.00 0.00 H new ATOM 0 HG22 VAL A 36 15.204 -10.958 0.413 1.00 0.00 H new ATOM 0 HG23 VAL A 36 16.321 -11.308 -0.927 1.00 0.00 H new ATOM 565 N ALA A 37 13.081 -9.537 -0.936 1.00 0.00 N ATOM 566 CA ALA A 37 11.725 -9.487 -0.328 1.00 0.00 C ATOM 567 C ALA A 37 11.800 -9.798 1.168 1.00 0.00 C ATOM 568 O ALA A 37 10.838 -9.636 1.887 1.00 0.00 O ATOM 569 CB ALA A 37 10.808 -10.493 -1.017 1.00 0.00 C ATOM 0 H ALA A 37 13.213 -10.250 -1.653 1.00 0.00 H new ATOM 0 HA ALA A 37 11.322 -8.483 -0.459 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.817 -10.450 -0.566 1.00 0.00 H new ATOM 0 HB2 ALA A 37 10.735 -10.252 -2.077 1.00 0.00 H new ATOM 0 HB3 ALA A 37 11.216 -11.497 -0.901 1.00 0.00 H new ATOM 575 N SER A 38 12.931 -10.238 1.650 1.00 0.00 N ATOM 576 CA SER A 38 13.044 -10.543 3.104 1.00 0.00 C ATOM 577 C SER A 38 12.453 -9.380 3.905 1.00 0.00 C ATOM 578 O SER A 38 12.016 -9.543 5.027 1.00 0.00 O ATOM 579 CB SER A 38 14.515 -10.726 3.477 1.00 0.00 C ATOM 580 OG SER A 38 14.615 -11.658 4.546 1.00 0.00 O ATOM 0 H SER A 38 13.777 -10.399 1.103 1.00 0.00 H new ATOM 0 HA SER A 38 12.501 -11.460 3.331 1.00 0.00 H new ATOM 0 HB2 SER A 38 15.079 -11.082 2.615 1.00 0.00 H new ATOM 0 HB3 SER A 38 14.950 -9.770 3.770 1.00 0.00 H new ATOM 0 HG SER A 38 15.557 -11.779 4.787 1.00 0.00 H new ATOM 586 N LYS A 39 12.433 -8.206 3.332 1.00 0.00 N ATOM 587 CA LYS A 39 11.869 -7.029 4.053 1.00 0.00 C ATOM 588 C LYS A 39 12.852 -6.568 5.129 1.00 0.00 C ATOM 589 O LYS A 39 12.473 -6.305 6.251 1.00 0.00 O ATOM 590 CB LYS A 39 10.545 -7.418 4.714 1.00 0.00 C ATOM 591 CG LYS A 39 9.724 -8.281 3.755 1.00 0.00 C ATOM 592 CD LYS A 39 8.249 -8.232 4.159 1.00 0.00 C ATOM 593 CE LYS A 39 8.030 -9.106 5.395 1.00 0.00 C ATOM 594 NZ LYS A 39 8.111 -8.261 6.621 1.00 0.00 N ATOM 0 H LYS A 39 12.784 -8.012 2.394 1.00 0.00 H new ATOM 0 HA LYS A 39 11.699 -6.220 3.342 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.735 -7.964 5.638 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.985 -6.522 4.983 1.00 0.00 H new ATOM 0 HG2 LYS A 39 9.844 -7.922 2.733 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.084 -9.310 3.776 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.953 -7.204 4.370 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.624 -8.582 3.337 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.057 -9.595 5.341 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.781 -9.895 5.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.489 -8.655 7.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.091 -8.246 6.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.809 -7.292 6.395 1.00 0.00 H new ATOM 608 N GLY A 40 14.111 -6.469 4.802 1.00 0.00 N ATOM 609 CA GLY A 40 15.105 -6.028 5.822 1.00 0.00 C ATOM 610 C GLY A 40 16.019 -4.948 5.234 1.00 0.00 C ATOM 611 O GLY A 40 16.504 -4.087 5.941 1.00 0.00 O ATOM 0 H GLY A 40 14.493 -6.673 3.879 1.00 0.00 H new ATOM 0 HA2 GLY A 40 14.589 -5.640 6.700 1.00 0.00 H new ATOM 0 HA3 GLY A 40 15.701 -6.879 6.152 1.00 0.00 H new ATOM 615 N ASN A 41 16.270 -4.987 3.953 1.00 0.00 N ATOM 616 CA ASN A 41 17.163 -3.961 3.342 1.00 0.00 C ATOM 617 C ASN A 41 16.447 -3.267 2.178 1.00 0.00 C ATOM 618 O ASN A 41 17.069 -2.821 1.235 1.00 0.00 O ATOM 619 CB ASN A 41 18.438 -4.636 2.832 1.00 0.00 C ATOM 620 CG ASN A 41 18.076 -5.691 1.786 1.00 0.00 C ATOM 621 OD1 ASN A 41 17.919 -6.853 2.108 1.00 0.00 O ATOM 622 ND2 ASN A 41 17.937 -5.337 0.538 1.00 0.00 N ATOM 0 H ASN A 41 15.897 -5.682 3.306 1.00 0.00 H new ATOM 0 HA ASN A 41 17.420 -3.216 4.095 1.00 0.00 H new ATOM 0 HB2 ASN A 41 19.106 -3.893 2.397 1.00 0.00 H new ATOM 0 HB3 ASN A 41 18.973 -5.100 3.661 1.00 0.00 H new ATOM 0 HD21 ASN A 41 17.697 -6.035 -0.166 1.00 0.00 H new ATOM 0 HD22 ASN A 41 18.068 -4.363 0.267 1.00 0.00 H new ATOM 629 N LEU A 42 15.147 -3.166 2.238 1.00 0.00 N ATOM 630 CA LEU A 42 14.403 -2.491 1.136 1.00 0.00 C ATOM 631 C LEU A 42 14.939 -1.077 0.963 1.00 0.00 C ATOM 632 O LEU A 42 15.515 -0.729 -0.048 1.00 0.00 O ATOM 633 CB LEU A 42 12.920 -2.406 1.500 1.00 0.00 C ATOM 634 CG LEU A 42 12.128 -1.755 0.357 1.00 0.00 C ATOM 635 CD1 LEU A 42 12.645 -2.250 -0.998 1.00 0.00 C ATOM 636 CD2 LEU A 42 10.649 -2.121 0.492 1.00 0.00 C ATOM 0 H LEU A 42 14.569 -3.521 3.000 1.00 0.00 H new ATOM 0 HA LEU A 42 14.530 -3.059 0.214 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.530 -3.404 1.700 1.00 0.00 H new ATOM 0 HB3 LEU A 42 12.796 -1.826 2.414 1.00 0.00 H new ATOM 0 HG LEU A 42 12.253 -0.674 0.414 1.00 0.00 H new ATOM 0 HD11 LEU A 42 12.074 -1.780 -1.799 1.00 0.00 H new ATOM 0 HD12 LEU A 42 13.698 -1.990 -1.102 1.00 0.00 H new ATOM 0 HD13 LEU A 42 12.531 -3.332 -1.058 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.085 -1.660 -0.319 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.536 -3.204 0.442 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.271 -1.760 1.449 1.00 0.00 H new ATOM 648 N ALA A 43 14.741 -0.260 1.954 1.00 0.00 N ATOM 649 CA ALA A 43 15.224 1.149 1.884 1.00 0.00 C ATOM 650 C ALA A 43 16.749 1.180 1.712 1.00 0.00 C ATOM 651 O ALA A 43 17.327 2.219 1.457 1.00 0.00 O ATOM 652 CB ALA A 43 14.845 1.878 3.175 1.00 0.00 C ATOM 0 H ALA A 43 14.261 -0.507 2.819 1.00 0.00 H new ATOM 0 HA ALA A 43 14.761 1.641 1.029 1.00 0.00 H new ATOM 0 HB1 ALA A 43 15.197 2.909 3.128 1.00 0.00 H new ATOM 0 HB2 ALA A 43 13.761 1.869 3.293 1.00 0.00 H new ATOM 0 HB3 ALA A 43 15.307 1.376 4.025 1.00 0.00 H new ATOM 658 N ASP A 44 17.408 0.060 1.849 1.00 0.00 N ATOM 659 CA ASP A 44 18.891 0.050 1.693 1.00 0.00 C ATOM 660 C ASP A 44 19.246 0.063 0.204 1.00 0.00 C ATOM 661 O ASP A 44 20.269 0.585 -0.194 1.00 0.00 O ATOM 662 CB ASP A 44 19.464 -1.212 2.340 1.00 0.00 C ATOM 663 CG ASP A 44 19.344 -1.107 3.862 1.00 0.00 C ATOM 664 OD1 ASP A 44 18.395 -0.491 4.320 1.00 0.00 O ATOM 665 OD2 ASP A 44 20.204 -1.641 4.542 1.00 0.00 O ATOM 0 H ASP A 44 16.986 -0.844 2.061 1.00 0.00 H new ATOM 0 HA ASP A 44 19.313 0.931 2.177 1.00 0.00 H new ATOM 0 HB2 ASP A 44 18.929 -2.092 1.983 1.00 0.00 H new ATOM 0 HB3 ASP A 44 20.509 -1.337 2.055 1.00 0.00 H new ATOM 670 N VAL A 45 18.410 -0.505 -0.620 1.00 0.00 N ATOM 671 CA VAL A 45 18.702 -0.521 -2.082 1.00 0.00 C ATOM 672 C VAL A 45 17.762 0.451 -2.797 1.00 0.00 C ATOM 673 O VAL A 45 17.968 0.801 -3.942 1.00 0.00 O ATOM 674 CB VAL A 45 18.489 -1.932 -2.630 1.00 0.00 C ATOM 675 CG1 VAL A 45 19.515 -2.882 -2.010 1.00 0.00 C ATOM 676 CG2 VAL A 45 17.076 -2.406 -2.277 1.00 0.00 C ATOM 0 H VAL A 45 17.538 -0.958 -0.346 1.00 0.00 H new ATOM 0 HA VAL A 45 19.736 -0.220 -2.250 1.00 0.00 H new ATOM 0 HB VAL A 45 18.611 -1.924 -3.713 1.00 0.00 H new ATOM 0 HG11 VAL A 45 19.362 -3.888 -2.401 1.00 0.00 H new ATOM 0 HG12 VAL A 45 20.521 -2.544 -2.259 1.00 0.00 H new ATOM 0 HG13 VAL A 45 19.394 -2.892 -0.927 1.00 0.00 H new ATOM 0 HG21 VAL A 45 16.922 -3.412 -2.667 1.00 0.00 H new ATOM 0 HG22 VAL A 45 16.955 -2.414 -1.194 1.00 0.00 H new ATOM 0 HG23 VAL A 45 16.344 -1.730 -2.719 1.00 0.00 H new ATOM 686 N ALA A 46 16.728 0.888 -2.131 1.00 0.00 N ATOM 687 CA ALA A 46 15.772 1.836 -2.772 1.00 0.00 C ATOM 688 C ALA A 46 15.169 2.752 -1.701 1.00 0.00 C ATOM 689 O ALA A 46 13.983 2.702 -1.443 1.00 0.00 O ATOM 690 CB ALA A 46 14.655 1.047 -3.456 1.00 0.00 C ATOM 0 H ALA A 46 16.504 0.629 -1.170 1.00 0.00 H new ATOM 0 HA ALA A 46 16.297 2.439 -3.513 1.00 0.00 H new ATOM 0 HB1 ALA A 46 13.955 1.739 -3.925 1.00 0.00 H new ATOM 0 HB2 ALA A 46 15.084 0.394 -4.216 1.00 0.00 H new ATOM 0 HB3 ALA A 46 14.128 0.445 -2.715 1.00 0.00 H new ATOM 696 N PRO A 47 16.010 3.563 -1.109 1.00 0.00 N ATOM 697 CA PRO A 47 15.585 4.505 -0.058 1.00 0.00 C ATOM 698 C PRO A 47 14.550 5.488 -0.612 1.00 0.00 C ATOM 699 O PRO A 47 14.415 5.655 -1.808 1.00 0.00 O ATOM 700 CB PRO A 47 16.868 5.245 0.347 1.00 0.00 C ATOM 701 CG PRO A 47 18.029 4.683 -0.513 1.00 0.00 C ATOM 702 CD PRO A 47 17.446 3.605 -1.439 1.00 0.00 C ATOM 0 HA PRO A 47 15.118 4.000 0.787 1.00 0.00 H new ATOM 0 HB2 PRO A 47 16.758 6.317 0.186 1.00 0.00 H new ATOM 0 HB3 PRO A 47 17.074 5.101 1.408 1.00 0.00 H new ATOM 0 HG2 PRO A 47 18.492 5.479 -1.097 1.00 0.00 H new ATOM 0 HG3 PRO A 47 18.806 4.261 0.124 1.00 0.00 H new ATOM 0 HD2 PRO A 47 17.604 3.857 -2.488 1.00 0.00 H new ATOM 0 HD3 PRO A 47 17.920 2.638 -1.268 1.00 0.00 H new ATOM 710 N GLY A 48 13.816 6.139 0.250 1.00 0.00 N ATOM 711 CA GLY A 48 12.790 7.110 -0.228 1.00 0.00 C ATOM 712 C GLY A 48 11.896 6.438 -1.271 1.00 0.00 C ATOM 713 O GLY A 48 11.501 7.044 -2.247 1.00 0.00 O ATOM 0 H GLY A 48 13.882 6.041 1.263 1.00 0.00 H new ATOM 0 HA2 GLY A 48 12.188 7.461 0.610 1.00 0.00 H new ATOM 0 HA3 GLY A 48 13.276 7.985 -0.660 1.00 0.00 H new ATOM 717 N LYS A 49 11.572 5.189 -1.073 1.00 0.00 N ATOM 718 CA LYS A 49 10.704 4.481 -2.055 1.00 0.00 C ATOM 719 C LYS A 49 9.638 3.676 -1.309 1.00 0.00 C ATOM 720 O LYS A 49 9.936 2.720 -0.620 1.00 0.00 O ATOM 721 CB LYS A 49 11.556 3.537 -2.905 1.00 0.00 C ATOM 722 CG LYS A 49 12.610 4.345 -3.666 1.00 0.00 C ATOM 723 CD LYS A 49 12.214 4.440 -5.140 1.00 0.00 C ATOM 724 CE LYS A 49 12.915 5.638 -5.782 1.00 0.00 C ATOM 725 NZ LYS A 49 12.644 5.646 -7.247 1.00 0.00 N ATOM 0 H LYS A 49 11.871 4.629 -0.274 1.00 0.00 H new ATOM 0 HA LYS A 49 10.219 5.212 -2.702 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.040 2.795 -2.269 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.924 2.992 -3.606 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.698 5.343 -3.237 1.00 0.00 H new ATOM 0 HG3 LYS A 49 13.586 3.870 -3.571 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.489 3.523 -5.661 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.133 4.547 -5.231 1.00 0.00 H new ATOM 0 HE2 LYS A 49 12.561 6.565 -5.331 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.988 5.585 -5.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 13.121 6.461 -7.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.003 4.767 -7.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.619 5.716 -7.410 1.00 0.00 H new ATOM 739 N SER A 50 8.397 4.053 -1.443 1.00 0.00 N ATOM 740 CA SER A 50 7.308 3.312 -0.746 1.00 0.00 C ATOM 741 C SER A 50 6.800 2.184 -1.648 1.00 0.00 C ATOM 742 O SER A 50 6.920 2.241 -2.856 1.00 0.00 O ATOM 743 CB SER A 50 6.157 4.270 -0.435 1.00 0.00 C ATOM 744 OG SER A 50 6.241 4.682 0.922 1.00 0.00 O ATOM 0 H SER A 50 8.089 4.845 -2.007 1.00 0.00 H new ATOM 0 HA SER A 50 7.693 2.891 0.183 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.203 5.137 -1.094 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.201 3.780 -0.619 1.00 0.00 H new ATOM 0 HG SER A 50 6.022 5.635 0.989 1.00 0.00 H new ATOM 750 N ILE A 51 6.233 1.160 -1.069 1.00 0.00 N ATOM 751 CA ILE A 51 5.720 0.028 -1.892 1.00 0.00 C ATOM 752 C ILE A 51 4.195 0.126 -1.998 1.00 0.00 C ATOM 753 O ILE A 51 3.486 -0.054 -1.028 1.00 0.00 O ATOM 754 CB ILE A 51 6.099 -1.297 -1.226 1.00 0.00 C ATOM 755 CG1 ILE A 51 7.568 -1.245 -0.784 1.00 0.00 C ATOM 756 CG2 ILE A 51 5.898 -2.447 -2.215 1.00 0.00 C ATOM 757 CD1 ILE A 51 8.486 -1.452 -1.992 1.00 0.00 C ATOM 0 H ILE A 51 6.103 1.059 -0.062 1.00 0.00 H new ATOM 0 HA ILE A 51 6.158 0.074 -2.889 1.00 0.00 H new ATOM 0 HB ILE A 51 5.464 -1.459 -0.355 1.00 0.00 H new ATOM 0 HG12 ILE A 51 7.781 -0.284 -0.315 1.00 0.00 H new ATOM 0 HG13 ILE A 51 7.759 -2.014 -0.036 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.169 -3.389 -1.738 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.853 -2.483 -2.523 1.00 0.00 H new ATOM 0 HG23 ILE A 51 6.529 -2.289 -3.090 1.00 0.00 H new ATOM 0 HD11 ILE A 51 9.526 -1.414 -1.669 1.00 0.00 H new ATOM 0 HD12 ILE A 51 8.281 -2.423 -2.442 1.00 0.00 H new ATOM 0 HD13 ILE A 51 8.305 -0.667 -2.726 1.00 0.00 H new ATOM 769 N GLY A 52 3.681 0.411 -3.166 1.00 0.00 N ATOM 770 CA GLY A 52 2.201 0.518 -3.317 1.00 0.00 C ATOM 771 C GLY A 52 1.806 0.214 -4.763 1.00 0.00 C ATOM 772 O GLY A 52 2.614 0.290 -5.666 1.00 0.00 O ATOM 0 H GLY A 52 4.219 0.573 -4.017 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.706 -0.179 -2.641 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.869 1.519 -3.042 1.00 0.00 H new ATOM 776 N GLY A 53 0.566 -0.127 -4.988 1.00 0.00 N ATOM 777 CA GLY A 53 0.119 -0.436 -6.376 1.00 0.00 C ATOM 778 C GLY A 53 0.168 -1.945 -6.604 1.00 0.00 C ATOM 779 O GLY A 53 0.200 -2.414 -7.725 1.00 0.00 O ATOM 0 H GLY A 53 -0.156 -0.205 -4.272 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.894 -0.067 -6.534 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.759 0.072 -7.097 1.00 0.00 H new ATOM 783 N ASP A 54 0.174 -2.714 -5.550 1.00 0.00 N ATOM 784 CA ASP A 54 0.221 -4.194 -5.707 1.00 0.00 C ATOM 785 C ASP A 54 -1.203 -4.739 -5.831 1.00 0.00 C ATOM 786 O ASP A 54 -2.136 -4.202 -5.267 1.00 0.00 O ATOM 787 CB ASP A 54 0.905 -4.814 -4.487 1.00 0.00 C ATOM 788 CG ASP A 54 2.105 -3.954 -4.084 1.00 0.00 C ATOM 789 OD1 ASP A 54 2.951 -3.721 -4.931 1.00 0.00 O ATOM 790 OD2 ASP A 54 2.155 -3.542 -2.938 1.00 0.00 O ATOM 0 H ASP A 54 0.148 -2.381 -4.586 1.00 0.00 H new ATOM 0 HA ASP A 54 0.784 -4.448 -6.605 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.200 -4.885 -3.659 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.231 -5.828 -4.716 1.00 0.00 H new ATOM 795 N ILE A 55 -1.376 -5.801 -6.570 1.00 0.00 N ATOM 796 CA ILE A 55 -2.738 -6.381 -6.739 1.00 0.00 C ATOM 797 C ILE A 55 -3.210 -6.988 -5.415 1.00 0.00 C ATOM 798 O ILE A 55 -2.466 -7.656 -4.725 1.00 0.00 O ATOM 799 CB ILE A 55 -2.694 -7.471 -7.812 1.00 0.00 C ATOM 800 CG1 ILE A 55 -2.535 -6.822 -9.191 1.00 0.00 C ATOM 801 CG2 ILE A 55 -3.992 -8.282 -7.776 1.00 0.00 C ATOM 802 CD1 ILE A 55 -3.845 -6.144 -9.592 1.00 0.00 C ATOM 0 H ILE A 55 -0.631 -6.292 -7.065 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.431 -5.596 -7.041 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.850 -8.133 -7.621 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.727 -6.091 -9.169 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.263 -7.576 -9.930 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.958 -9.057 -8.541 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.105 -8.744 -6.795 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.839 -7.622 -7.966 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.731 -5.683 -10.573 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.642 -6.887 -9.631 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.098 -5.378 -8.858 1.00 0.00 H new ATOM 814 N PHE A 56 -4.448 -6.770 -5.064 1.00 0.00 N ATOM 815 CA PHE A 56 -4.979 -7.340 -3.794 1.00 0.00 C ATOM 816 C PHE A 56 -5.995 -8.435 -4.127 1.00 0.00 C ATOM 817 O PHE A 56 -7.174 -8.179 -4.272 1.00 0.00 O ATOM 818 CB PHE A 56 -5.657 -6.236 -2.972 1.00 0.00 C ATOM 819 CG PHE A 56 -6.088 -6.797 -1.640 1.00 0.00 C ATOM 820 CD1 PHE A 56 -5.139 -7.026 -0.636 1.00 0.00 C ATOM 821 CD2 PHE A 56 -7.436 -7.091 -1.409 1.00 0.00 C ATOM 822 CE1 PHE A 56 -5.540 -7.547 0.600 1.00 0.00 C ATOM 823 CE2 PHE A 56 -7.837 -7.612 -0.174 1.00 0.00 C ATOM 824 CZ PHE A 56 -6.890 -7.840 0.831 1.00 0.00 C ATOM 0 H PHE A 56 -5.116 -6.220 -5.604 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.161 -7.762 -3.211 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.969 -5.404 -2.823 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.520 -5.844 -3.510 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -4.098 -6.801 -0.815 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -8.167 -6.916 -2.184 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -4.809 -7.723 1.375 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -8.878 -7.838 0.004 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.200 -8.242 1.784 1.00 0.00 H new ATOM 834 N SER A 57 -5.543 -9.653 -4.262 1.00 0.00 N ATOM 835 CA SER A 57 -6.478 -10.765 -4.600 1.00 0.00 C ATOM 836 C SER A 57 -7.510 -10.934 -3.488 1.00 0.00 C ATOM 837 O SER A 57 -8.501 -11.620 -3.645 1.00 0.00 O ATOM 838 CB SER A 57 -5.688 -12.065 -4.765 1.00 0.00 C ATOM 839 OG SER A 57 -4.469 -11.792 -5.442 1.00 0.00 O ATOM 0 H SER A 57 -4.566 -9.926 -4.153 1.00 0.00 H new ATOM 0 HA SER A 57 -6.992 -10.529 -5.532 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.484 -12.506 -3.789 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.275 -12.791 -5.327 1.00 0.00 H new ATOM 0 HG SER A 57 -3.960 -12.623 -5.547 1.00 0.00 H new ATOM 845 N ASN A 58 -7.290 -10.312 -2.367 1.00 0.00 N ATOM 846 CA ASN A 58 -8.265 -10.435 -1.248 1.00 0.00 C ATOM 847 C ASN A 58 -8.490 -11.913 -0.924 1.00 0.00 C ATOM 848 O ASN A 58 -9.589 -12.423 -1.034 1.00 0.00 O ATOM 849 CB ASN A 58 -9.590 -9.794 -1.664 1.00 0.00 C ATOM 850 CG ASN A 58 -10.504 -9.657 -0.446 1.00 0.00 C ATOM 851 OD1 ASN A 58 -10.102 -9.938 0.667 1.00 0.00 O ATOM 852 ND2 ASN A 58 -11.727 -9.232 -0.611 1.00 0.00 N ATOM 0 H ASN A 58 -6.479 -9.724 -2.175 1.00 0.00 H new ATOM 0 HA ASN A 58 -7.875 -9.929 -0.365 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.408 -8.814 -2.105 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -10.075 -10.402 -2.427 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -12.346 -9.135 0.194 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -12.063 -8.997 -1.545 1.00 0.00 H new ATOM 859 N ARG A 59 -7.460 -12.608 -0.524 1.00 0.00 N ATOM 860 CA ARG A 59 -7.620 -14.052 -0.193 1.00 0.00 C ATOM 861 C ARG A 59 -8.721 -14.214 0.857 1.00 0.00 C ATOM 862 O ARG A 59 -9.808 -14.671 0.565 1.00 0.00 O ATOM 863 CB ARG A 59 -6.302 -14.598 0.364 1.00 0.00 C ATOM 864 CG ARG A 59 -5.187 -14.391 -0.663 1.00 0.00 C ATOM 865 CD ARG A 59 -4.322 -15.651 -0.738 1.00 0.00 C ATOM 866 NE ARG A 59 -2.890 -15.292 -0.533 1.00 0.00 N ATOM 867 CZ ARG A 59 -2.418 -14.173 -1.014 1.00 0.00 C ATOM 868 NH1 ARG A 59 -2.142 -14.076 -2.286 1.00 0.00 N ATOM 869 NH2 ARG A 59 -2.225 -13.153 -0.225 1.00 0.00 N ATOM 0 H ARG A 59 -6.516 -12.239 -0.412 1.00 0.00 H new ATOM 0 HA ARG A 59 -7.890 -14.603 -1.094 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.051 -14.091 1.296 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.405 -15.658 0.596 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.615 -14.172 -1.641 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.575 -13.533 -0.384 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.639 -16.367 0.020 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.450 -16.134 -1.706 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.277 -15.922 -0.016 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -2.295 -14.873 -2.903 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -1.773 -13.203 -2.663 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -2.443 -13.229 0.769 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -1.856 -12.280 -0.601 1.00 0.00 H new ATOM 883 N GLU A 60 -8.447 -13.843 2.078 1.00 0.00 N ATOM 884 CA GLU A 60 -9.477 -13.974 3.146 1.00 0.00 C ATOM 885 C GLU A 60 -10.827 -13.492 2.614 1.00 0.00 C ATOM 886 O GLU A 60 -11.834 -14.159 2.750 1.00 0.00 O ATOM 887 CB GLU A 60 -9.072 -13.124 4.353 1.00 0.00 C ATOM 888 CG GLU A 60 -8.777 -14.036 5.545 1.00 0.00 C ATOM 889 CD GLU A 60 -10.069 -14.294 6.323 1.00 0.00 C ATOM 890 OE1 GLU A 60 -10.394 -13.486 7.177 1.00 0.00 O ATOM 891 OE2 GLU A 60 -10.711 -15.296 6.051 1.00 0.00 O ATOM 0 H GLU A 60 -7.554 -13.455 2.382 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.557 -15.018 3.447 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.192 -12.527 4.112 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.871 -12.427 4.604 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.354 -14.979 5.199 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.035 -13.573 6.195 1.00 0.00 H new ATOM 898 N GLY A 61 -10.858 -12.337 2.008 1.00 0.00 N ATOM 899 CA GLY A 61 -12.142 -11.812 1.469 1.00 0.00 C ATOM 900 C GLY A 61 -12.856 -10.996 2.547 1.00 0.00 C ATOM 901 O GLY A 61 -13.907 -11.371 3.030 1.00 0.00 O ATOM 0 H GLY A 61 -10.048 -11.734 1.863 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -11.953 -11.191 0.594 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -12.776 -12.637 1.144 1.00 0.00 H new ATOM 905 N LYS A 62 -12.294 -9.882 2.931 1.00 0.00 N ATOM 906 CA LYS A 62 -12.940 -9.043 3.980 1.00 0.00 C ATOM 907 C LYS A 62 -13.248 -7.657 3.408 1.00 0.00 C ATOM 908 O LYS A 62 -13.853 -6.826 4.057 1.00 0.00 O ATOM 909 CB LYS A 62 -11.997 -8.905 5.176 1.00 0.00 C ATOM 910 CG LYS A 62 -12.288 -10.014 6.189 1.00 0.00 C ATOM 911 CD LYS A 62 -12.062 -9.482 7.605 1.00 0.00 C ATOM 912 CE LYS A 62 -13.110 -8.413 7.921 1.00 0.00 C ATOM 913 NZ LYS A 62 -13.184 -8.211 9.396 1.00 0.00 N ATOM 0 H LYS A 62 -11.415 -9.517 2.563 1.00 0.00 H new ATOM 0 HA LYS A 62 -13.867 -9.516 4.303 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.961 -8.965 4.844 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -12.126 -7.929 5.643 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -13.315 -10.361 6.079 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.640 -10.871 6.003 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.129 -10.297 8.326 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.060 -9.061 7.691 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -12.850 -7.477 7.427 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -14.083 -8.717 7.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -13.896 -7.484 9.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -13.451 -9.105 9.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -12.256 -7.903 9.751 1.00 0.00 H new ATOM 927 N LEU A 63 -12.839 -7.401 2.195 1.00 0.00 N ATOM 928 CA LEU A 63 -13.109 -6.073 1.579 1.00 0.00 C ATOM 929 C LEU A 63 -14.399 -6.150 0.756 1.00 0.00 C ATOM 930 O LEU A 63 -14.707 -7.179 0.188 1.00 0.00 O ATOM 931 CB LEU A 63 -11.945 -5.690 0.662 1.00 0.00 C ATOM 932 CG LEU A 63 -10.748 -5.246 1.503 1.00 0.00 C ATOM 933 CD1 LEU A 63 -9.456 -5.520 0.735 1.00 0.00 C ATOM 934 CD2 LEU A 63 -10.852 -3.748 1.792 1.00 0.00 C ATOM 0 H LEU A 63 -12.328 -8.057 1.604 1.00 0.00 H new ATOM 0 HA LEU A 63 -13.217 -5.323 2.362 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.667 -6.539 0.037 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.248 -4.886 -0.009 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.742 -5.800 2.442 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.602 -5.204 1.334 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.377 -6.587 0.525 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.466 -4.966 -0.203 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.998 -3.433 2.392 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.859 -3.196 0.852 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.773 -3.546 2.338 1.00 0.00 H new ATOM 946 N PRO A 64 -15.115 -5.055 0.714 1.00 0.00 N ATOM 947 CA PRO A 64 -16.380 -4.974 -0.037 1.00 0.00 C ATOM 948 C PRO A 64 -16.125 -5.211 -1.528 1.00 0.00 C ATOM 949 O PRO A 64 -15.398 -4.476 -2.168 1.00 0.00 O ATOM 950 CB PRO A 64 -16.889 -3.546 0.203 1.00 0.00 C ATOM 951 CG PRO A 64 -15.853 -2.821 1.100 1.00 0.00 C ATOM 952 CD PRO A 64 -14.724 -3.816 1.410 1.00 0.00 C ATOM 0 HA PRO A 64 -17.102 -5.725 0.284 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -17.011 -3.019 -0.743 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -17.866 -3.564 0.685 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.458 -1.941 0.593 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -16.321 -2.475 2.021 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -13.762 -3.448 1.052 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -14.624 -3.979 2.483 1.00 0.00 H new ATOM 960 N GLY A 65 -16.717 -6.231 -2.087 1.00 0.00 N ATOM 961 CA GLY A 65 -16.508 -6.512 -3.535 1.00 0.00 C ATOM 962 C GLY A 65 -17.213 -7.816 -3.911 1.00 0.00 C ATOM 963 O GLY A 65 -17.130 -8.803 -3.208 1.00 0.00 O ATOM 0 H GLY A 65 -17.336 -6.882 -1.603 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -16.898 -5.690 -4.135 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.442 -6.587 -3.751 1.00 0.00 H new ATOM 967 N LYS A 66 -17.907 -7.829 -5.016 1.00 0.00 N ATOM 968 CA LYS A 66 -18.615 -9.070 -5.435 1.00 0.00 C ATOM 969 C LYS A 66 -17.729 -9.861 -6.398 1.00 0.00 C ATOM 970 O LYS A 66 -16.712 -9.381 -6.858 1.00 0.00 O ATOM 971 CB LYS A 66 -19.926 -8.700 -6.133 1.00 0.00 C ATOM 972 CG LYS A 66 -20.837 -7.960 -5.151 1.00 0.00 C ATOM 973 CD LYS A 66 -22.262 -8.505 -5.263 1.00 0.00 C ATOM 974 CE LYS A 66 -22.912 -7.978 -6.543 1.00 0.00 C ATOM 975 NZ LYS A 66 -24.387 -7.881 -6.349 1.00 0.00 N ATOM 0 H LYS A 66 -18.014 -7.034 -5.646 1.00 0.00 H new ATOM 0 HA LYS A 66 -18.832 -9.679 -4.557 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -19.724 -8.073 -7.001 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -20.422 -9.599 -6.498 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -20.468 -8.084 -4.133 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -20.828 -6.891 -5.365 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -22.246 -9.595 -5.273 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -22.847 -8.203 -4.395 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -22.503 -7.000 -6.795 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -22.687 -8.642 -7.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -24.829 -7.523 -7.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -24.771 -8.822 -6.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -24.592 -7.231 -5.564 1.00 0.00 H new ATOM 989 N SER A 67 -18.105 -11.072 -6.705 1.00 0.00 N ATOM 990 CA SER A 67 -17.282 -11.895 -7.636 1.00 0.00 C ATOM 991 C SER A 67 -17.056 -11.122 -8.938 1.00 0.00 C ATOM 992 O SER A 67 -17.990 -10.692 -9.586 1.00 0.00 O ATOM 993 CB SER A 67 -18.013 -13.202 -7.941 1.00 0.00 C ATOM 994 OG SER A 67 -17.331 -13.890 -8.981 1.00 0.00 O ATOM 0 H SER A 67 -18.947 -11.527 -6.351 1.00 0.00 H new ATOM 0 HA SER A 67 -16.320 -12.115 -7.173 1.00 0.00 H new ATOM 0 HB2 SER A 67 -18.059 -13.824 -7.047 1.00 0.00 H new ATOM 0 HB3 SER A 67 -19.041 -12.996 -8.239 1.00 0.00 H new ATOM 0 HG SER A 67 -17.797 -14.730 -9.178 1.00 0.00 H new ATOM 1000 N GLY A 68 -15.824 -10.947 -9.329 1.00 0.00 N ATOM 1001 CA GLY A 68 -15.540 -10.205 -10.590 1.00 0.00 C ATOM 1002 C GLY A 68 -14.944 -8.835 -10.262 1.00 0.00 C ATOM 1003 O GLY A 68 -14.562 -8.089 -11.140 1.00 0.00 O ATOM 0 H GLY A 68 -15.001 -11.286 -8.830 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -14.847 -10.774 -11.210 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -16.457 -10.084 -11.166 1.00 0.00 H new ATOM 1007 N ARG A 69 -14.866 -8.495 -9.004 1.00 0.00 N ATOM 1008 CA ARG A 69 -14.296 -7.172 -8.626 1.00 0.00 C ATOM 1009 C ARG A 69 -12.827 -7.338 -8.233 1.00 0.00 C ATOM 1010 O ARG A 69 -12.407 -8.390 -7.794 1.00 0.00 O ATOM 1011 CB ARG A 69 -15.079 -6.601 -7.442 1.00 0.00 C ATOM 1012 CG ARG A 69 -14.605 -5.175 -7.156 1.00 0.00 C ATOM 1013 CD ARG A 69 -15.449 -4.572 -6.033 1.00 0.00 C ATOM 1014 NE ARG A 69 -15.724 -3.140 -6.333 1.00 0.00 N ATOM 1015 CZ ARG A 69 -16.653 -2.503 -5.676 1.00 0.00 C ATOM 1016 NH1 ARG A 69 -17.903 -2.856 -5.806 1.00 0.00 N ATOM 1017 NH2 ARG A 69 -16.333 -1.512 -4.889 1.00 0.00 N ATOM 0 H ARG A 69 -15.172 -9.076 -8.223 1.00 0.00 H new ATOM 0 HA ARG A 69 -14.368 -6.491 -9.474 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -16.146 -6.603 -7.663 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -14.935 -7.227 -6.561 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -13.553 -5.180 -6.872 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -14.689 -4.565 -8.056 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -16.386 -5.120 -5.933 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -14.925 -4.661 -5.082 1.00 0.00 H new ATOM 0 HE ARG A 69 -15.186 -2.657 -7.052 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -18.153 -3.630 -6.421 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -18.630 -2.358 -5.292 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -15.356 -1.236 -4.788 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -17.060 -1.014 -4.375 1.00 0.00 H new ATOM 1031 N THR A 70 -12.041 -6.305 -8.387 1.00 0.00 N ATOM 1032 CA THR A 70 -10.600 -6.404 -8.022 1.00 0.00 C ATOM 1033 C THR A 70 -10.273 -5.360 -6.953 1.00 0.00 C ATOM 1034 O THR A 70 -10.977 -4.384 -6.786 1.00 0.00 O ATOM 1035 CB THR A 70 -9.741 -6.149 -9.263 1.00 0.00 C ATOM 1036 OG1 THR A 70 -10.585 -5.936 -10.385 1.00 0.00 O ATOM 1037 CG2 THR A 70 -8.842 -7.359 -9.521 1.00 0.00 C ATOM 0 H THR A 70 -12.336 -5.398 -8.750 1.00 0.00 H new ATOM 0 HA THR A 70 -10.391 -7.401 -7.634 1.00 0.00 H new ATOM 0 HB THR A 70 -9.121 -5.267 -9.101 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.037 -5.771 -11.180 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.231 -7.176 -10.405 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.195 -7.522 -8.659 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.459 -8.243 -9.683 1.00 0.00 H new ATOM 1045 N TRP A 71 -9.206 -5.556 -6.225 1.00 0.00 N ATOM 1046 CA TRP A 71 -8.833 -4.573 -5.168 1.00 0.00 C ATOM 1047 C TRP A 71 -7.373 -4.166 -5.342 1.00 0.00 C ATOM 1048 O TRP A 71 -6.569 -4.908 -5.867 1.00 0.00 O ATOM 1049 CB TRP A 71 -9.006 -5.211 -3.787 1.00 0.00 C ATOM 1050 CG TRP A 71 -10.363 -4.899 -3.256 1.00 0.00 C ATOM 1051 CD1 TRP A 71 -11.482 -5.595 -3.543 1.00 0.00 C ATOM 1052 CD2 TRP A 71 -10.763 -3.831 -2.351 1.00 0.00 C ATOM 1053 NE1 TRP A 71 -12.550 -5.024 -2.872 1.00 0.00 N ATOM 1054 CE2 TRP A 71 -12.155 -3.931 -2.123 1.00 0.00 C ATOM 1055 CE3 TRP A 71 -10.057 -2.797 -1.712 1.00 0.00 C ATOM 1056 CZ2 TRP A 71 -12.825 -3.032 -1.289 1.00 0.00 C ATOM 1057 CZ3 TRP A 71 -10.727 -1.893 -0.873 1.00 0.00 C ATOM 1058 CH2 TRP A 71 -12.106 -2.011 -0.662 1.00 0.00 C ATOM 0 H TRP A 71 -8.577 -6.354 -6.317 1.00 0.00 H new ATOM 0 HA TRP A 71 -9.476 -3.697 -5.253 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -8.871 -6.290 -3.855 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -8.243 -4.837 -3.105 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -11.536 -6.457 -4.191 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -13.509 -5.367 -2.924 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -8.993 -2.698 -1.868 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -13.889 -3.125 -1.130 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -10.175 -1.102 -0.387 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -12.614 -1.312 -0.014 1.00 0.00 H new ATOM 1069 N ARG A 72 -7.020 -2.999 -4.888 1.00 0.00 N ATOM 1070 CA ARG A 72 -5.607 -2.550 -5.003 1.00 0.00 C ATOM 1071 C ARG A 72 -5.055 -2.348 -3.594 1.00 0.00 C ATOM 1072 O ARG A 72 -5.781 -2.007 -2.682 1.00 0.00 O ATOM 1073 CB ARG A 72 -5.543 -1.232 -5.777 1.00 0.00 C ATOM 1074 CG ARG A 72 -5.916 -1.480 -7.240 1.00 0.00 C ATOM 1075 CD ARG A 72 -4.680 -1.282 -8.121 1.00 0.00 C ATOM 1076 NE ARG A 72 -5.106 -0.965 -9.513 1.00 0.00 N ATOM 1077 CZ ARG A 72 -4.248 -0.466 -10.360 1.00 0.00 C ATOM 1078 NH1 ARG A 72 -2.991 -0.815 -10.298 1.00 0.00 N ATOM 1079 NH2 ARG A 72 -4.645 0.382 -11.269 1.00 0.00 N ATOM 0 H ARG A 72 -7.651 -2.334 -4.441 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.017 -3.296 -5.536 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -6.225 -0.505 -5.335 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -4.541 -0.809 -5.713 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.304 -2.491 -7.361 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.707 -0.796 -7.546 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -4.064 -0.474 -7.725 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -4.067 -2.183 -8.114 1.00 0.00 H new ATOM 0 HE ARG A 72 -6.068 -1.138 -9.804 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -2.680 -1.478 -9.588 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -2.320 -0.425 -10.960 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -5.627 0.655 -11.318 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -3.974 0.772 -11.931 1.00 0.00 H new ATOM 1093 N GLU A 73 -3.787 -2.566 -3.391 1.00 0.00 N ATOM 1094 CA GLU A 73 -3.233 -2.390 -2.022 1.00 0.00 C ATOM 1095 C GLU A 73 -2.048 -1.419 -2.054 1.00 0.00 C ATOM 1096 O GLU A 73 -1.391 -1.256 -3.064 1.00 0.00 O ATOM 1097 CB GLU A 73 -2.768 -3.744 -1.483 1.00 0.00 C ATOM 1098 CG GLU A 73 -1.495 -4.174 -2.213 1.00 0.00 C ATOM 1099 CD GLU A 73 -1.348 -5.694 -2.131 1.00 0.00 C ATOM 1100 OE1 GLU A 73 -2.292 -6.381 -2.483 1.00 0.00 O ATOM 1101 OE2 GLU A 73 -0.292 -6.146 -1.719 1.00 0.00 O ATOM 0 H GLU A 73 -3.117 -2.855 -4.104 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.009 -1.983 -1.374 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.580 -3.676 -0.412 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.550 -4.491 -1.622 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.536 -3.858 -3.255 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.626 -3.689 -1.767 1.00 0.00 H new ATOM 1108 N ALA A 74 -1.771 -0.775 -0.951 1.00 0.00 N ATOM 1109 CA ALA A 74 -0.629 0.182 -0.910 1.00 0.00 C ATOM 1110 C ALA A 74 0.044 0.113 0.464 1.00 0.00 C ATOM 1111 O ALA A 74 -0.564 -0.268 1.443 1.00 0.00 O ATOM 1112 CB ALA A 74 -1.142 1.602 -1.156 1.00 0.00 C ATOM 0 H ALA A 74 -2.287 -0.871 -0.077 1.00 0.00 H new ATOM 0 HA ALA A 74 0.093 -0.081 -1.683 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.306 2.301 -1.126 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.621 1.651 -2.134 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.864 1.867 -0.384 1.00 0.00 H new ATOM 1118 N ASP A 75 1.294 0.477 0.544 1.00 0.00 N ATOM 1119 CA ASP A 75 2.001 0.430 1.856 1.00 0.00 C ATOM 1120 C ASP A 75 1.635 1.666 2.681 1.00 0.00 C ATOM 1121 O ASP A 75 1.472 2.749 2.154 1.00 0.00 O ATOM 1122 CB ASP A 75 3.512 0.404 1.621 1.00 0.00 C ATOM 1123 CG ASP A 75 3.963 -1.037 1.371 1.00 0.00 C ATOM 1124 OD1 ASP A 75 3.196 -1.784 0.787 1.00 0.00 O ATOM 1125 OD2 ASP A 75 5.068 -1.367 1.768 1.00 0.00 O ATOM 0 H ASP A 75 1.857 0.805 -0.241 1.00 0.00 H new ATOM 0 HA ASP A 75 1.701 -0.468 2.396 1.00 0.00 H new ATOM 0 HB2 ASP A 75 3.769 1.031 0.767 1.00 0.00 H new ATOM 0 HB3 ASP A 75 4.033 0.815 2.486 1.00 0.00 H new ATOM 1130 N ILE A 76 1.505 1.515 3.971 1.00 0.00 N ATOM 1131 CA ILE A 76 1.152 2.683 4.824 1.00 0.00 C ATOM 1132 C ILE A 76 2.156 2.800 5.974 1.00 0.00 C ATOM 1133 O ILE A 76 2.288 1.909 6.789 1.00 0.00 O ATOM 1134 CB ILE A 76 -0.257 2.493 5.391 1.00 0.00 C ATOM 1135 CG1 ILE A 76 -1.272 2.506 4.247 1.00 0.00 C ATOM 1136 CG2 ILE A 76 -0.575 3.630 6.363 1.00 0.00 C ATOM 1137 CD1 ILE A 76 -1.256 3.877 3.570 1.00 0.00 C ATOM 0 H ILE A 76 1.628 0.634 4.470 1.00 0.00 H new ATOM 0 HA ILE A 76 1.182 3.593 4.224 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.310 1.540 5.916 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.031 1.728 3.523 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.270 2.288 4.629 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.578 3.494 6.766 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.148 3.624 7.179 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.521 4.584 5.838 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.979 3.888 2.754 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.518 4.645 4.298 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.260 4.076 3.175 1.00 0.00 H new ATOM 1149 N ASN A 77 2.865 3.895 6.044 1.00 0.00 N ATOM 1150 CA ASN A 77 3.860 4.072 7.140 1.00 0.00 C ATOM 1151 C ASN A 77 5.083 3.191 6.873 1.00 0.00 C ATOM 1152 O ASN A 77 5.027 1.983 6.991 1.00 0.00 O ATOM 1153 CB ASN A 77 3.226 3.675 8.475 1.00 0.00 C ATOM 1154 CG ASN A 77 3.240 4.874 9.426 1.00 0.00 C ATOM 1155 OD1 ASN A 77 2.385 5.733 9.351 1.00 0.00 O ATOM 1156 ND2 ASN A 77 4.184 4.969 10.323 1.00 0.00 N ATOM 0 H ASN A 77 2.798 4.674 5.389 1.00 0.00 H new ATOM 0 HA ASN A 77 4.170 5.116 7.181 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.202 3.336 8.316 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.773 2.842 8.916 1.00 0.00 H new ATOM 0 HD21 ASN A 77 4.203 5.765 10.961 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.902 4.247 10.386 1.00 0.00 H new ATOM 1163 N TYR A 78 6.189 3.788 6.523 1.00 0.00 N ATOM 1164 CA TYR A 78 7.415 2.994 6.258 1.00 0.00 C ATOM 1165 C TYR A 78 8.609 3.938 6.097 1.00 0.00 C ATOM 1166 O TYR A 78 8.638 4.771 5.214 1.00 0.00 O ATOM 1167 CB TYR A 78 7.234 2.172 4.980 1.00 0.00 C ATOM 1168 CG TYR A 78 8.437 1.280 4.781 1.00 0.00 C ATOM 1169 CD1 TYR A 78 8.897 0.479 5.833 1.00 0.00 C ATOM 1170 CD2 TYR A 78 9.091 1.255 3.544 1.00 0.00 C ATOM 1171 CE1 TYR A 78 10.013 -0.346 5.649 1.00 0.00 C ATOM 1172 CE2 TYR A 78 10.208 0.429 3.359 1.00 0.00 C ATOM 1173 CZ TYR A 78 10.667 -0.371 4.412 1.00 0.00 C ATOM 1174 OH TYR A 78 11.768 -1.185 4.230 1.00 0.00 O ATOM 0 H TYR A 78 6.294 4.796 6.409 1.00 0.00 H new ATOM 0 HA TYR A 78 7.595 2.319 7.095 1.00 0.00 H new ATOM 0 HB2 TYR A 78 6.328 1.569 5.048 1.00 0.00 H new ATOM 0 HB3 TYR A 78 7.113 2.834 4.123 1.00 0.00 H new ATOM 0 HD1 TYR A 78 8.391 0.498 6.787 1.00 0.00 H new ATOM 0 HD2 TYR A 78 8.735 1.872 2.732 1.00 0.00 H new ATOM 0 HE1 TYR A 78 10.369 -0.963 6.461 1.00 0.00 H new ATOM 0 HE2 TYR A 78 10.714 0.410 2.405 1.00 0.00 H new ATOM 0 HH TYR A 78 12.130 -1.445 5.103 1.00 0.00 H new ATOM 1184 N THR A 79 9.593 3.815 6.946 1.00 0.00 N ATOM 1185 CA THR A 79 10.782 4.707 6.842 1.00 0.00 C ATOM 1186 C THR A 79 12.040 3.859 6.704 1.00 0.00 C ATOM 1187 O THR A 79 12.565 3.667 5.626 1.00 0.00 O ATOM 1188 CB THR A 79 10.883 5.570 8.102 1.00 0.00 C ATOM 1189 OG1 THR A 79 10.182 4.938 9.163 1.00 0.00 O ATOM 1190 CG2 THR A 79 10.275 6.945 7.832 1.00 0.00 C ATOM 0 H THR A 79 9.625 3.136 7.706 1.00 0.00 H new ATOM 0 HA THR A 79 10.680 5.351 5.968 1.00 0.00 H new ATOM 0 HB THR A 79 11.931 5.689 8.379 1.00 0.00 H new ATOM 0 HG1 THR A 79 10.247 5.488 9.971 1.00 0.00 H new ATOM 0 HG21 THR A 79 10.348 7.558 8.730 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.815 7.428 7.018 1.00 0.00 H new ATOM 0 HG23 THR A 79 9.227 6.831 7.554 1.00 0.00 H new ATOM 1198 N SER A 80 12.520 3.354 7.794 1.00 0.00 N ATOM 1199 CA SER A 80 13.747 2.512 7.758 1.00 0.00 C ATOM 1200 C SER A 80 13.556 1.297 8.668 1.00 0.00 C ATOM 1201 O SER A 80 12.918 1.376 9.699 1.00 0.00 O ATOM 1202 CB SER A 80 14.943 3.331 8.244 1.00 0.00 C ATOM 1203 OG SER A 80 15.163 4.415 7.352 1.00 0.00 O ATOM 0 H SER A 80 12.115 3.486 8.721 1.00 0.00 H new ATOM 0 HA SER A 80 13.929 2.177 6.737 1.00 0.00 H new ATOM 0 HB2 SER A 80 14.757 3.705 9.251 1.00 0.00 H new ATOM 0 HB3 SER A 80 15.832 2.702 8.297 1.00 0.00 H new ATOM 0 HG SER A 80 15.928 4.943 7.662 1.00 0.00 H new ATOM 1209 N GLY A 81 14.102 0.172 8.295 1.00 0.00 N ATOM 1210 CA GLY A 81 13.948 -1.047 9.139 1.00 0.00 C ATOM 1211 C GLY A 81 13.141 -2.098 8.375 1.00 0.00 C ATOM 1212 O GLY A 81 12.814 -1.924 7.217 1.00 0.00 O ATOM 0 H GLY A 81 14.648 0.044 7.443 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.928 -1.446 9.402 1.00 0.00 H new ATOM 0 HA3 GLY A 81 13.445 -0.795 10.073 1.00 0.00 H new ATOM 1216 N PHE A 82 12.813 -3.189 9.013 1.00 0.00 N ATOM 1217 CA PHE A 82 12.028 -4.249 8.322 1.00 0.00 C ATOM 1218 C PHE A 82 10.669 -3.683 7.900 1.00 0.00 C ATOM 1219 O PHE A 82 10.052 -2.924 8.621 1.00 0.00 O ATOM 1220 CB PHE A 82 11.814 -5.428 9.275 1.00 0.00 C ATOM 1221 CG PHE A 82 12.599 -6.622 8.788 1.00 0.00 C ATOM 1222 CD1 PHE A 82 13.999 -6.599 8.816 1.00 0.00 C ATOM 1223 CD2 PHE A 82 11.927 -7.751 8.307 1.00 0.00 C ATOM 1224 CE1 PHE A 82 14.726 -7.707 8.362 1.00 0.00 C ATOM 1225 CE2 PHE A 82 12.653 -8.858 7.852 1.00 0.00 C ATOM 1226 CZ PHE A 82 14.052 -8.836 7.879 1.00 0.00 C ATOM 0 H PHE A 82 13.055 -3.391 9.983 1.00 0.00 H new ATOM 0 HA PHE A 82 12.572 -4.588 7.440 1.00 0.00 H new ATOM 0 HB2 PHE A 82 12.132 -5.157 10.282 1.00 0.00 H new ATOM 0 HB3 PHE A 82 10.754 -5.675 9.331 1.00 0.00 H new ATOM 0 HD1 PHE A 82 14.518 -5.728 9.187 1.00 0.00 H new ATOM 0 HD2 PHE A 82 10.847 -7.768 8.287 1.00 0.00 H new ATOM 0 HE1 PHE A 82 15.806 -7.691 8.384 1.00 0.00 H new ATOM 0 HE2 PHE A 82 12.134 -9.729 7.480 1.00 0.00 H new ATOM 0 HZ PHE A 82 14.612 -9.690 7.527 1.00 0.00 H new ATOM 1236 N ARG A 83 10.197 -4.045 6.736 1.00 0.00 N ATOM 1237 CA ARG A 83 8.879 -3.525 6.273 1.00 0.00 C ATOM 1238 C ARG A 83 7.875 -3.590 7.426 1.00 0.00 C ATOM 1239 O ARG A 83 8.119 -4.216 8.439 1.00 0.00 O ATOM 1240 CB ARG A 83 8.373 -4.376 5.106 1.00 0.00 C ATOM 1241 CG ARG A 83 9.131 -3.998 3.831 1.00 0.00 C ATOM 1242 CD ARG A 83 8.860 -5.039 2.742 1.00 0.00 C ATOM 1243 NE ARG A 83 7.392 -5.173 2.538 1.00 0.00 N ATOM 1244 CZ ARG A 83 6.931 -5.767 1.471 1.00 0.00 C ATOM 1245 NH1 ARG A 83 7.584 -6.768 0.949 1.00 0.00 N ATOM 1246 NH2 ARG A 83 5.818 -5.357 0.926 1.00 0.00 N ATOM 0 H ARG A 83 10.667 -4.677 6.088 1.00 0.00 H new ATOM 0 HA ARG A 83 8.991 -2.492 5.944 1.00 0.00 H new ATOM 0 HB2 ARG A 83 8.515 -5.434 5.326 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.303 -4.220 4.965 1.00 0.00 H new ATOM 0 HG2 ARG A 83 8.819 -3.011 3.490 1.00 0.00 H new ATOM 0 HG3 ARG A 83 10.200 -3.941 4.035 1.00 0.00 H new ATOM 0 HD2 ARG A 83 9.342 -4.741 1.811 1.00 0.00 H new ATOM 0 HD3 ARG A 83 9.287 -6.000 3.028 1.00 0.00 H new ATOM 0 HE ARG A 83 6.745 -4.800 3.233 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.455 -7.086 1.375 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.224 -7.232 0.115 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.309 -4.573 1.334 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.457 -5.821 0.092 1.00 0.00 H new ATOM 1260 N ASN A 84 6.748 -2.948 7.284 1.00 0.00 N ATOM 1261 CA ASN A 84 5.734 -2.975 8.378 1.00 0.00 C ATOM 1262 C ASN A 84 4.521 -3.795 7.936 1.00 0.00 C ATOM 1263 O ASN A 84 4.495 -4.357 6.859 1.00 0.00 O ATOM 1264 CB ASN A 84 5.289 -1.547 8.700 1.00 0.00 C ATOM 1265 CG ASN A 84 5.315 -0.702 7.426 1.00 0.00 C ATOM 1266 OD1 ASN A 84 6.352 -0.205 7.032 1.00 0.00 O ATOM 1267 ND2 ASN A 84 4.209 -0.515 6.758 1.00 0.00 N ATOM 0 H ASN A 84 6.485 -2.407 6.460 1.00 0.00 H new ATOM 0 HA ASN A 84 6.176 -3.429 9.265 1.00 0.00 H new ATOM 0 HB2 ASN A 84 4.284 -1.555 9.123 1.00 0.00 H new ATOM 0 HB3 ASN A 84 5.947 -1.111 9.451 1.00 0.00 H new ATOM 0 HD21 ASN A 84 4.216 0.047 5.907 1.00 0.00 H new ATOM 0 HD22 ASN A 84 3.338 -0.931 7.087 1.00 0.00 H new ATOM 1274 N SER A 85 3.513 -3.865 8.763 1.00 0.00 N ATOM 1275 CA SER A 85 2.298 -4.647 8.395 1.00 0.00 C ATOM 1276 C SER A 85 1.115 -3.692 8.221 1.00 0.00 C ATOM 1277 O SER A 85 -0.029 -4.103 8.196 1.00 0.00 O ATOM 1278 CB SER A 85 1.982 -5.653 9.502 1.00 0.00 C ATOM 1279 OG SER A 85 2.230 -5.053 10.768 1.00 0.00 O ATOM 0 H SER A 85 3.478 -3.414 9.677 1.00 0.00 H new ATOM 0 HA SER A 85 2.477 -5.181 7.462 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.941 -5.970 9.435 1.00 0.00 H new ATOM 0 HB3 SER A 85 2.596 -6.546 9.384 1.00 0.00 H new ATOM 0 HG SER A 85 2.027 -5.695 11.480 1.00 0.00 H new ATOM 1285 N ASP A 86 1.382 -2.421 8.097 1.00 0.00 N ATOM 1286 CA ASP A 86 0.276 -1.440 7.921 1.00 0.00 C ATOM 1287 C ASP A 86 0.122 -1.116 6.434 1.00 0.00 C ATOM 1288 O ASP A 86 1.080 -0.810 5.752 1.00 0.00 O ATOM 1289 CB ASP A 86 0.602 -0.160 8.693 1.00 0.00 C ATOM 1290 CG ASP A 86 0.916 -0.508 10.150 1.00 0.00 C ATOM 1291 OD1 ASP A 86 1.726 -1.395 10.364 1.00 0.00 O ATOM 1292 OD2 ASP A 86 0.342 0.118 11.025 1.00 0.00 O ATOM 0 H ASP A 86 2.320 -2.020 8.110 1.00 0.00 H new ATOM 0 HA ASP A 86 -0.654 -1.863 8.301 1.00 0.00 H new ATOM 0 HB2 ASP A 86 1.453 0.345 8.237 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -0.241 0.530 8.646 1.00 0.00 H new ATOM 1297 N ARG A 87 -1.077 -1.182 5.923 1.00 0.00 N ATOM 1298 CA ARG A 87 -1.285 -0.879 4.479 1.00 0.00 C ATOM 1299 C ARG A 87 -2.706 -0.359 4.267 1.00 0.00 C ATOM 1300 O ARG A 87 -3.485 -0.261 5.190 1.00 0.00 O ATOM 1301 CB ARG A 87 -1.093 -2.157 3.657 1.00 0.00 C ATOM 1302 CG ARG A 87 0.400 -2.433 3.467 1.00 0.00 C ATOM 1303 CD ARG A 87 0.665 -2.810 2.008 1.00 0.00 C ATOM 1304 NE ARG A 87 1.623 -3.949 1.954 1.00 0.00 N ATOM 1305 CZ ARG A 87 1.755 -4.639 0.854 1.00 0.00 C ATOM 1306 NH1 ARG A 87 1.687 -4.041 -0.304 1.00 0.00 N ATOM 1307 NH2 ARG A 87 1.951 -5.927 0.911 1.00 0.00 N ATOM 0 H ARG A 87 -1.919 -1.432 6.441 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.565 -0.124 4.161 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -1.566 -2.999 4.162 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -1.579 -2.053 2.687 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.981 -1.552 3.738 1.00 0.00 H new ATOM 0 HG3 ARG A 87 0.719 -3.240 4.126 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.269 -3.083 1.517 1.00 0.00 H new ATOM 0 HD3 ARG A 87 1.071 -1.954 1.468 1.00 0.00 H new ATOM 0 HE ARG A 87 2.176 -4.190 2.777 1.00 0.00 H new ATOM 0 HH11 ARG A 87 1.531 -3.034 -0.350 1.00 0.00 H new ATOM 0 HH12 ARG A 87 1.790 -4.581 -1.163 1.00 0.00 H new ATOM 0 HH21 ARG A 87 2.001 -6.396 1.816 1.00 0.00 H new ATOM 0 HH22 ARG A 87 2.054 -6.466 0.051 1.00 0.00 H new ATOM 1321 N ILE A 88 -3.050 -0.037 3.052 1.00 0.00 N ATOM 1322 CA ILE A 88 -4.424 0.463 2.773 1.00 0.00 C ATOM 1323 C ILE A 88 -4.925 -0.166 1.472 1.00 0.00 C ATOM 1324 O ILE A 88 -4.180 -0.341 0.527 1.00 0.00 O ATOM 1325 CB ILE A 88 -4.404 1.987 2.640 1.00 0.00 C ATOM 1326 CG1 ILE A 88 -5.842 2.510 2.587 1.00 0.00 C ATOM 1327 CG2 ILE A 88 -3.675 2.380 1.355 1.00 0.00 C ATOM 1328 CD1 ILE A 88 -5.963 3.761 3.461 1.00 0.00 C ATOM 0 H ILE A 88 -2.438 -0.099 2.239 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.089 0.191 3.593 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.887 2.419 3.497 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -6.117 2.744 1.559 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.533 1.742 2.935 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.662 3.466 1.262 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.652 2.006 1.388 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.191 1.949 0.497 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.987 4.134 3.423 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.705 3.512 4.490 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.284 4.529 3.092 1.00 0.00 H new ATOM 1340 N LEU A 89 -6.178 -0.516 1.421 1.00 0.00 N ATOM 1341 CA LEU A 89 -6.730 -1.147 0.190 1.00 0.00 C ATOM 1342 C LEU A 89 -7.716 -0.189 -0.482 1.00 0.00 C ATOM 1343 O LEU A 89 -8.666 0.260 0.123 1.00 0.00 O ATOM 1344 CB LEU A 89 -7.470 -2.436 0.567 1.00 0.00 C ATOM 1345 CG LEU A 89 -6.473 -3.501 1.027 1.00 0.00 C ATOM 1346 CD1 LEU A 89 -5.429 -3.733 -0.066 1.00 0.00 C ATOM 1347 CD2 LEU A 89 -5.779 -3.034 2.310 1.00 0.00 C ATOM 0 H LEU A 89 -6.847 -0.392 2.181 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.912 -1.373 -0.495 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -8.189 -2.233 1.361 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -8.036 -2.803 -0.289 1.00 0.00 H new ATOM 0 HG LEU A 89 -7.004 -4.433 1.222 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.720 -4.492 0.264 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.924 -4.070 -0.977 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.898 -2.802 -0.265 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.069 -3.794 2.637 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.249 -2.101 2.118 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.524 -2.875 3.089 1.00 0.00 H new ATOM 1359 N TYR A 90 -7.513 0.117 -1.733 1.00 0.00 N ATOM 1360 CA TYR A 90 -8.464 1.030 -2.431 1.00 0.00 C ATOM 1361 C TYR A 90 -9.236 0.229 -3.484 1.00 0.00 C ATOM 1362 O TYR A 90 -8.696 -0.656 -4.118 1.00 0.00 O ATOM 1363 CB TYR A 90 -7.714 2.186 -3.107 1.00 0.00 C ATOM 1364 CG TYR A 90 -6.265 1.818 -3.334 1.00 0.00 C ATOM 1365 CD1 TYR A 90 -5.404 1.648 -2.242 1.00 0.00 C ATOM 1366 CD2 TYR A 90 -5.782 1.654 -4.637 1.00 0.00 C ATOM 1367 CE1 TYR A 90 -4.062 1.313 -2.454 1.00 0.00 C ATOM 1368 CE2 TYR A 90 -4.438 1.321 -4.849 1.00 0.00 C ATOM 1369 CZ TYR A 90 -3.580 1.149 -3.757 1.00 0.00 C ATOM 1370 OH TYR A 90 -2.255 0.819 -3.967 1.00 0.00 O ATOM 0 H TYR A 90 -6.736 -0.222 -2.300 1.00 0.00 H new ATOM 0 HA TYR A 90 -9.153 1.453 -1.700 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.187 2.427 -4.059 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -7.775 3.079 -2.486 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -5.776 1.776 -1.236 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -6.445 1.784 -5.479 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -3.399 1.181 -1.612 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -4.064 1.197 -5.855 1.00 0.00 H new ATOM 0 HH TYR A 90 -2.161 -0.156 -3.995 1.00 0.00 H new ATOM 1380 N SER A 91 -10.496 0.518 -3.665 1.00 0.00 N ATOM 1381 CA SER A 91 -11.298 -0.245 -4.668 1.00 0.00 C ATOM 1382 C SER A 91 -11.654 0.655 -5.855 1.00 0.00 C ATOM 1383 O SER A 91 -11.425 1.848 -5.835 1.00 0.00 O ATOM 1384 CB SER A 91 -12.583 -0.750 -4.012 1.00 0.00 C ATOM 1385 OG SER A 91 -12.896 -2.039 -4.523 1.00 0.00 O ATOM 0 H SER A 91 -11.005 1.247 -3.164 1.00 0.00 H new ATOM 0 HA SER A 91 -10.709 -1.089 -5.026 1.00 0.00 H new ATOM 0 HB2 SER A 91 -12.459 -0.795 -2.930 1.00 0.00 H new ATOM 0 HB3 SER A 91 -13.402 -0.059 -4.210 1.00 0.00 H new ATOM 0 HG SER A 91 -12.700 -2.717 -3.843 1.00 0.00 H new ATOM 1391 N SER A 92 -12.213 0.085 -6.891 1.00 0.00 N ATOM 1392 CA SER A 92 -12.584 0.900 -8.083 1.00 0.00 C ATOM 1393 C SER A 92 -13.668 1.902 -7.698 1.00 0.00 C ATOM 1394 O SER A 92 -13.806 2.949 -8.300 1.00 0.00 O ATOM 1395 CB SER A 92 -13.104 -0.017 -9.190 1.00 0.00 C ATOM 1396 OG SER A 92 -14.259 -0.705 -8.726 1.00 0.00 O ATOM 0 H SER A 92 -12.428 -0.910 -6.962 1.00 0.00 H new ATOM 0 HA SER A 92 -11.706 1.436 -8.442 1.00 0.00 H new ATOM 0 HB2 SER A 92 -13.347 0.567 -10.078 1.00 0.00 H new ATOM 0 HB3 SER A 92 -12.333 -0.731 -9.479 1.00 0.00 H new ATOM 0 HG SER A 92 -14.596 -1.293 -9.434 1.00 0.00 H new ATOM 1402 N ASP A 93 -14.428 1.592 -6.693 1.00 0.00 N ATOM 1403 CA ASP A 93 -15.497 2.517 -6.253 1.00 0.00 C ATOM 1404 C ASP A 93 -14.925 3.472 -5.203 1.00 0.00 C ATOM 1405 O ASP A 93 -15.647 4.078 -4.435 1.00 0.00 O ATOM 1406 CB ASP A 93 -16.666 1.720 -5.665 1.00 0.00 C ATOM 1407 CG ASP A 93 -16.307 1.226 -4.263 1.00 0.00 C ATOM 1408 OD1 ASP A 93 -15.129 1.203 -3.946 1.00 0.00 O ATOM 1409 OD2 ASP A 93 -17.219 0.879 -3.530 1.00 0.00 O ATOM 0 H ASP A 93 -14.353 0.730 -6.153 1.00 0.00 H new ATOM 0 HA ASP A 93 -15.864 3.091 -7.104 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -17.558 2.345 -5.622 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -16.900 0.873 -6.309 1.00 0.00 H new ATOM 1414 N TRP A 94 -13.626 3.603 -5.171 1.00 0.00 N ATOM 1415 CA TRP A 94 -12.975 4.510 -4.186 1.00 0.00 C ATOM 1416 C TRP A 94 -13.169 3.973 -2.768 1.00 0.00 C ATOM 1417 O TRP A 94 -13.168 4.717 -1.807 1.00 0.00 O ATOM 1418 CB TRP A 94 -13.571 5.915 -4.296 1.00 0.00 C ATOM 1419 CG TRP A 94 -12.724 6.733 -5.218 1.00 0.00 C ATOM 1420 CD1 TRP A 94 -13.198 7.578 -6.162 1.00 0.00 C ATOM 1421 CD2 TRP A 94 -11.269 6.796 -5.306 1.00 0.00 C ATOM 1422 NE1 TRP A 94 -12.129 8.155 -6.823 1.00 0.00 N ATOM 1423 CE2 TRP A 94 -10.919 7.705 -6.332 1.00 0.00 C ATOM 1424 CE3 TRP A 94 -10.228 6.161 -4.602 1.00 0.00 C ATOM 1425 CZ2 TRP A 94 -9.588 7.973 -6.650 1.00 0.00 C ATOM 1426 CZ3 TRP A 94 -8.887 6.428 -4.921 1.00 0.00 C ATOM 1427 CH2 TRP A 94 -8.568 7.332 -5.943 1.00 0.00 C ATOM 0 H TRP A 94 -12.982 3.114 -5.793 1.00 0.00 H new ATOM 0 HA TRP A 94 -11.908 4.557 -4.403 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -14.593 5.862 -4.671 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -13.617 6.383 -3.312 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -14.241 7.771 -6.366 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -12.223 8.831 -7.581 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -10.463 5.464 -3.811 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -9.347 8.672 -7.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -8.097 5.934 -4.375 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -7.535 7.533 -6.184 1.00 0.00 H new ATOM 1438 N LEU A 95 -13.312 2.685 -2.625 1.00 0.00 N ATOM 1439 CA LEU A 95 -13.478 2.104 -1.264 1.00 0.00 C ATOM 1440 C LEU A 95 -12.099 2.012 -0.612 1.00 0.00 C ATOM 1441 O LEU A 95 -11.225 1.318 -1.094 1.00 0.00 O ATOM 1442 CB LEU A 95 -14.087 0.706 -1.370 1.00 0.00 C ATOM 1443 CG LEU A 95 -15.593 0.779 -1.126 1.00 0.00 C ATOM 1444 CD1 LEU A 95 -16.192 -0.627 -1.192 1.00 0.00 C ATOM 1445 CD2 LEU A 95 -15.856 1.382 0.256 1.00 0.00 C ATOM 0 H LEU A 95 -13.321 2.011 -3.390 1.00 0.00 H new ATOM 0 HA LEU A 95 -14.139 2.732 -0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -13.889 0.287 -2.356 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -13.623 0.041 -0.642 1.00 0.00 H new ATOM 0 HG LEU A 95 -16.054 1.404 -1.890 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -17.267 -0.573 -1.018 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -16.005 -1.056 -2.176 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -15.732 -1.255 -0.429 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -16.930 1.435 0.431 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -15.394 0.757 1.020 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -15.431 2.385 0.302 1.00 0.00 H new ATOM 1457 N ILE A 96 -11.883 2.716 0.463 1.00 0.00 N ATOM 1458 CA ILE A 96 -10.543 2.667 1.110 1.00 0.00 C ATOM 1459 C ILE A 96 -10.639 2.028 2.497 1.00 0.00 C ATOM 1460 O ILE A 96 -11.138 2.617 3.438 1.00 0.00 O ATOM 1461 CB ILE A 96 -9.984 4.084 1.235 1.00 0.00 C ATOM 1462 CG1 ILE A 96 -10.302 4.867 -0.044 1.00 0.00 C ATOM 1463 CG2 ILE A 96 -8.468 4.011 1.429 1.00 0.00 C ATOM 1464 CD1 ILE A 96 -9.441 6.131 -0.106 1.00 0.00 C ATOM 0 H ILE A 96 -12.569 3.318 0.918 1.00 0.00 H new ATOM 0 HA ILE A 96 -9.878 2.063 0.493 1.00 0.00 H new ATOM 0 HB ILE A 96 -10.436 4.587 2.090 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -10.114 4.244 -0.919 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -11.359 5.134 -0.064 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -8.064 5.019 1.519 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -8.244 3.448 2.335 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -8.015 3.513 0.571 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -9.671 6.684 -1.017 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -9.651 6.757 0.761 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -8.387 5.854 -0.106 1.00 0.00 H new ATOM 1476 N TYR A 97 -10.141 0.830 2.626 1.00 0.00 N ATOM 1477 CA TYR A 97 -10.165 0.134 3.940 1.00 0.00 C ATOM 1478 C TYR A 97 -8.738 0.095 4.486 1.00 0.00 C ATOM 1479 O TYR A 97 -7.860 -0.494 3.894 1.00 0.00 O ATOM 1480 CB TYR A 97 -10.673 -1.296 3.749 1.00 0.00 C ATOM 1481 CG TYR A 97 -12.182 -1.307 3.759 1.00 0.00 C ATOM 1482 CD1 TYR A 97 -12.892 -0.923 2.615 1.00 0.00 C ATOM 1483 CD2 TYR A 97 -12.872 -1.704 4.910 1.00 0.00 C ATOM 1484 CE1 TYR A 97 -14.291 -0.937 2.622 1.00 0.00 C ATOM 1485 CE2 TYR A 97 -14.272 -1.720 4.917 1.00 0.00 C ATOM 1486 CZ TYR A 97 -14.981 -1.335 3.773 1.00 0.00 C ATOM 1487 OH TYR A 97 -16.361 -1.350 3.780 1.00 0.00 O ATOM 0 H TYR A 97 -9.714 0.299 1.867 1.00 0.00 H new ATOM 0 HA TYR A 97 -10.823 0.658 4.633 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -10.303 -1.700 2.807 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -10.290 -1.937 4.543 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -12.360 -0.616 1.727 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -12.324 -1.998 5.793 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -14.838 -0.641 1.739 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -14.805 -2.029 5.804 1.00 0.00 H new ATOM 0 HH TYR A 97 -16.680 -1.652 4.656 1.00 0.00 H new ATOM 1497 N LYS A 98 -8.488 0.724 5.598 1.00 0.00 N ATOM 1498 CA LYS A 98 -7.102 0.721 6.143 1.00 0.00 C ATOM 1499 C LYS A 98 -6.899 -0.494 7.049 1.00 0.00 C ATOM 1500 O LYS A 98 -7.754 -0.846 7.840 1.00 0.00 O ATOM 1501 CB LYS A 98 -6.869 2.000 6.949 1.00 0.00 C ATOM 1502 CG LYS A 98 -7.675 1.939 8.247 1.00 0.00 C ATOM 1503 CD LYS A 98 -8.112 3.350 8.645 1.00 0.00 C ATOM 1504 CE LYS A 98 -7.458 3.732 9.974 1.00 0.00 C ATOM 1505 NZ LYS A 98 -8.475 3.679 11.061 1.00 0.00 N ATOM 0 H LYS A 98 -9.176 1.236 6.150 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.393 0.673 5.316 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -5.808 2.114 7.172 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.167 2.870 6.364 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.548 1.300 8.115 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.073 1.496 9.041 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.828 4.062 7.870 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -9.197 3.394 8.736 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -6.637 3.051 10.196 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -7.033 4.733 9.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -8.031 3.939 11.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -9.245 4.346 10.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -8.861 2.716 11.129 1.00 0.00 H new ATOM 1519 N THR A 99 -5.766 -1.133 6.937 1.00 0.00 N ATOM 1520 CA THR A 99 -5.479 -2.323 7.784 1.00 0.00 C ATOM 1521 C THR A 99 -4.203 -2.067 8.587 1.00 0.00 C ATOM 1522 O THR A 99 -3.174 -1.718 8.038 1.00 0.00 O ATOM 1523 CB THR A 99 -5.271 -3.549 6.892 1.00 0.00 C ATOM 1524 OG1 THR A 99 -4.457 -4.492 7.575 1.00 0.00 O ATOM 1525 CG2 THR A 99 -4.585 -3.125 5.592 1.00 0.00 C ATOM 0 H THR A 99 -5.021 -0.878 6.289 1.00 0.00 H new ATOM 0 HA THR A 99 -6.316 -2.501 8.459 1.00 0.00 H new ATOM 0 HB THR A 99 -6.235 -4.000 6.659 1.00 0.00 H new ATOM 0 HG1 THR A 99 -4.914 -4.789 8.389 1.00 0.00 H new ATOM 0 HG21 THR A 99 -4.437 -3.999 4.957 1.00 0.00 H new ATOM 0 HG22 THR A 99 -5.209 -2.399 5.071 1.00 0.00 H new ATOM 0 HG23 THR A 99 -3.619 -2.675 5.820 1.00 0.00 H new ATOM 1533 N THR A 100 -4.254 -2.234 9.879 1.00 0.00 N ATOM 1534 CA THR A 100 -3.039 -1.997 10.708 1.00 0.00 C ATOM 1535 C THR A 100 -2.544 -3.325 11.284 1.00 0.00 C ATOM 1536 O THR A 100 -1.955 -3.370 12.344 1.00 0.00 O ATOM 1537 CB THR A 100 -3.379 -1.040 11.852 1.00 0.00 C ATOM 1538 OG1 THR A 100 -4.754 -0.691 11.783 1.00 0.00 O ATOM 1539 CG2 THR A 100 -2.523 0.222 11.734 1.00 0.00 C ATOM 0 H THR A 100 -5.084 -2.524 10.397 1.00 0.00 H new ATOM 0 HA THR A 100 -2.258 -1.558 10.087 1.00 0.00 H new ATOM 0 HB THR A 100 -3.176 -1.526 12.806 1.00 0.00 H new ATOM 0 HG1 THR A 100 -4.973 -0.079 12.516 1.00 0.00 H new ATOM 0 HG21 THR A 100 -2.766 0.904 12.549 1.00 0.00 H new ATOM 0 HG22 THR A 100 -1.468 -0.047 11.788 1.00 0.00 H new ATOM 0 HG23 THR A 100 -2.724 0.710 10.781 1.00 0.00 H new ATOM 1547 N ASP A 101 -2.778 -4.408 10.594 1.00 0.00 N ATOM 1548 CA ASP A 101 -2.318 -5.729 11.108 1.00 0.00 C ATOM 1549 C ASP A 101 -2.012 -6.662 9.934 1.00 0.00 C ATOM 1550 O ASP A 101 -2.015 -7.869 10.074 1.00 0.00 O ATOM 1551 CB ASP A 101 -3.414 -6.350 11.979 1.00 0.00 C ATOM 1552 CG ASP A 101 -4.789 -5.925 11.459 1.00 0.00 C ATOM 1553 OD1 ASP A 101 -5.050 -6.143 10.288 1.00 0.00 O ATOM 1554 OD2 ASP A 101 -5.556 -5.389 12.240 1.00 0.00 O ATOM 0 H ASP A 101 -3.266 -4.435 9.699 1.00 0.00 H new ATOM 0 HA ASP A 101 -1.415 -5.588 11.703 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -3.330 -7.437 11.966 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.292 -6.033 13.015 1.00 0.00 H new ATOM 1559 N HIS A 102 -1.747 -6.115 8.777 1.00 0.00 N ATOM 1560 CA HIS A 102 -1.439 -6.974 7.596 1.00 0.00 C ATOM 1561 C HIS A 102 -2.738 -7.560 7.040 1.00 0.00 C ATOM 1562 O HIS A 102 -2.991 -8.744 7.140 1.00 0.00 O ATOM 1563 CB HIS A 102 -0.505 -8.110 8.018 1.00 0.00 C ATOM 1564 CG HIS A 102 0.468 -8.400 6.908 1.00 0.00 C ATOM 1565 ND1 HIS A 102 0.279 -7.931 5.618 1.00 0.00 N ATOM 1566 CD2 HIS A 102 1.644 -9.107 6.881 1.00 0.00 C ATOM 1567 CE1 HIS A 102 1.317 -8.358 4.875 1.00 0.00 C ATOM 1568 NE2 HIS A 102 2.178 -9.080 5.596 1.00 0.00 N ATOM 0 H HIS A 102 -1.731 -5.111 8.599 1.00 0.00 H new ATOM 0 HA HIS A 102 -0.953 -6.373 6.827 1.00 0.00 H new ATOM 0 HB2 HIS A 102 0.033 -7.834 8.925 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -1.084 -9.004 8.251 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -0.504 -7.365 5.291 1.00 0.00 H new ATOM 0 HD2 HIS A 102 2.088 -9.608 7.728 1.00 0.00 H new ATOM 0 HE1 HIS A 102 1.439 -8.143 3.824 1.00 0.00 H new ATOM 1576 N TYR A 103 -3.560 -6.738 6.451 1.00 0.00 N ATOM 1577 CA TYR A 103 -4.842 -7.239 5.882 1.00 0.00 C ATOM 1578 C TYR A 103 -5.573 -8.094 6.923 1.00 0.00 C ATOM 1579 O TYR A 103 -6.417 -8.903 6.592 1.00 0.00 O ATOM 1580 CB TYR A 103 -4.551 -8.077 4.637 1.00 0.00 C ATOM 1581 CG TYR A 103 -3.502 -7.380 3.806 1.00 0.00 C ATOM 1582 CD1 TYR A 103 -3.841 -6.241 3.064 1.00 0.00 C ATOM 1583 CD2 TYR A 103 -2.189 -7.865 3.782 1.00 0.00 C ATOM 1584 CE1 TYR A 103 -2.867 -5.590 2.298 1.00 0.00 C ATOM 1585 CE2 TYR A 103 -1.215 -7.212 3.016 1.00 0.00 C ATOM 1586 CZ TYR A 103 -1.554 -6.075 2.274 1.00 0.00 C ATOM 1587 OH TYR A 103 -0.595 -5.432 1.520 1.00 0.00 O ATOM 0 H TYR A 103 -3.399 -5.737 6.339 1.00 0.00 H new ATOM 0 HA TYR A 103 -5.473 -6.393 5.611 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -4.204 -9.070 4.925 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -5.462 -8.214 4.055 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -4.853 -5.865 3.083 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -1.927 -8.743 4.354 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -3.129 -4.713 1.725 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -0.202 -7.586 2.998 1.00 0.00 H new ATOM 0 HH TYR A 103 -0.636 -5.753 0.595 1.00 0.00 H new ATOM 1597 N GLN A 104 -5.266 -7.914 8.180 1.00 0.00 N ATOM 1598 CA GLN A 104 -5.955 -8.709 9.236 1.00 0.00 C ATOM 1599 C GLN A 104 -7.229 -7.979 9.655 1.00 0.00 C ATOM 1600 O GLN A 104 -8.123 -8.544 10.252 1.00 0.00 O ATOM 1601 CB GLN A 104 -5.033 -8.867 10.446 1.00 0.00 C ATOM 1602 CG GLN A 104 -4.359 -10.240 10.401 1.00 0.00 C ATOM 1603 CD GLN A 104 -3.963 -10.664 11.817 1.00 0.00 C ATOM 1604 OE1 GLN A 104 -4.208 -9.949 12.768 1.00 0.00 O ATOM 1605 NE2 GLN A 104 -3.356 -11.805 11.997 1.00 0.00 N ATOM 0 H GLN A 104 -4.569 -7.252 8.520 1.00 0.00 H new ATOM 0 HA GLN A 104 -6.206 -9.696 8.848 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -4.279 -8.080 10.447 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -5.605 -8.761 11.368 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -5.037 -10.975 9.967 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -3.477 -10.203 9.762 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -3.151 -12.405 11.198 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -3.087 -12.097 12.937 1.00 0.00 H new ATOM 1614 N THR A 105 -7.313 -6.722 9.331 1.00 0.00 N ATOM 1615 CA THR A 105 -8.521 -5.926 9.685 1.00 0.00 C ATOM 1616 C THR A 105 -8.752 -4.880 8.593 1.00 0.00 C ATOM 1617 O THR A 105 -7.840 -4.500 7.890 1.00 0.00 O ATOM 1618 CB THR A 105 -8.302 -5.228 11.029 1.00 0.00 C ATOM 1619 OG1 THR A 105 -8.277 -6.201 12.066 1.00 0.00 O ATOM 1620 CG2 THR A 105 -9.440 -4.238 11.284 1.00 0.00 C ATOM 0 H THR A 105 -6.590 -6.205 8.831 1.00 0.00 H new ATOM 0 HA THR A 105 -9.389 -6.580 9.764 1.00 0.00 H new ATOM 0 HB THR A 105 -7.354 -4.690 11.010 1.00 0.00 H new ATOM 0 HG1 THR A 105 -7.373 -6.257 12.441 1.00 0.00 H new ATOM 0 HG21 THR A 105 -9.283 -3.742 12.242 1.00 0.00 H new ATOM 0 HG22 THR A 105 -9.460 -3.493 10.488 1.00 0.00 H new ATOM 0 HG23 THR A 105 -10.390 -4.773 11.304 1.00 0.00 H new ATOM 1628 N PHE A 106 -9.960 -4.416 8.434 1.00 0.00 N ATOM 1629 CA PHE A 106 -10.222 -3.405 7.372 1.00 0.00 C ATOM 1630 C PHE A 106 -11.190 -2.339 7.888 1.00 0.00 C ATOM 1631 O PHE A 106 -12.332 -2.618 8.196 1.00 0.00 O ATOM 1632 CB PHE A 106 -10.832 -4.100 6.154 1.00 0.00 C ATOM 1633 CG PHE A 106 -9.840 -5.090 5.590 1.00 0.00 C ATOM 1634 CD1 PHE A 106 -8.740 -4.637 4.848 1.00 0.00 C ATOM 1635 CD2 PHE A 106 -10.019 -6.459 5.811 1.00 0.00 C ATOM 1636 CE1 PHE A 106 -7.821 -5.557 4.328 1.00 0.00 C ATOM 1637 CE2 PHE A 106 -9.101 -7.379 5.291 1.00 0.00 C ATOM 1638 CZ PHE A 106 -8.002 -6.927 4.549 1.00 0.00 C ATOM 0 H PHE A 106 -10.771 -4.690 8.988 1.00 0.00 H new ATOM 0 HA PHE A 106 -9.283 -2.926 7.093 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -11.752 -4.612 6.437 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -11.097 -3.363 5.396 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -8.601 -3.580 4.678 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -10.866 -6.807 6.383 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -6.973 -5.209 3.757 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -9.240 -8.436 5.462 1.00 0.00 H new ATOM 0 HZ PHE A 106 -7.294 -7.636 4.147 1.00 0.00 H new ATOM 1648 N THR A 107 -10.744 -1.115 7.974 1.00 0.00 N ATOM 1649 CA THR A 107 -11.638 -0.025 8.458 1.00 0.00 C ATOM 1650 C THR A 107 -12.021 0.870 7.278 1.00 0.00 C ATOM 1651 O THR A 107 -11.175 1.350 6.554 1.00 0.00 O ATOM 1652 CB THR A 107 -10.907 0.807 9.515 1.00 0.00 C ATOM 1653 OG1 THR A 107 -10.088 -0.047 10.303 1.00 0.00 O ATOM 1654 CG2 THR A 107 -11.929 1.508 10.412 1.00 0.00 C ATOM 0 H THR A 107 -9.798 -0.823 7.730 1.00 0.00 H new ATOM 0 HA THR A 107 -12.537 -0.457 8.899 1.00 0.00 H new ATOM 0 HB THR A 107 -10.286 1.556 9.024 1.00 0.00 H new ATOM 0 HG1 THR A 107 -9.618 0.484 10.979 1.00 0.00 H new ATOM 0 HG21 THR A 107 -11.407 2.100 11.164 1.00 0.00 H new ATOM 0 HG22 THR A 107 -12.557 2.162 9.806 1.00 0.00 H new ATOM 0 HG23 THR A 107 -12.552 0.762 10.905 1.00 0.00 H new ATOM 1662 N LYS A 108 -13.287 1.096 7.073 1.00 0.00 N ATOM 1663 CA LYS A 108 -13.712 1.955 5.931 1.00 0.00 C ATOM 1664 C LYS A 108 -13.523 3.427 6.297 1.00 0.00 C ATOM 1665 O LYS A 108 -14.181 3.949 7.177 1.00 0.00 O ATOM 1666 CB LYS A 108 -15.187 1.692 5.616 1.00 0.00 C ATOM 1667 CG LYS A 108 -15.613 2.543 4.419 1.00 0.00 C ATOM 1668 CD LYS A 108 -16.377 3.773 4.914 1.00 0.00 C ATOM 1669 CE LYS A 108 -17.805 3.372 5.285 1.00 0.00 C ATOM 1670 NZ LYS A 108 -18.756 3.942 4.289 1.00 0.00 N ATOM 0 H LYS A 108 -14.046 0.725 7.645 1.00 0.00 H new ATOM 0 HA LYS A 108 -13.105 1.720 5.056 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -15.340 0.635 5.397 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -15.803 1.931 6.483 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -14.737 2.851 3.848 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -16.241 1.957 3.748 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -15.873 4.204 5.779 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -16.393 4.540 4.140 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -17.895 2.286 5.309 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -18.048 3.734 6.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -19.727 3.669 4.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -18.677 4.979 4.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -18.528 3.576 3.343 1.00 0.00 H new ATOM 1684 N ILE A 109 -12.627 4.102 5.629 1.00 0.00 N ATOM 1685 CA ILE A 109 -12.394 5.540 5.940 1.00 0.00 C ATOM 1686 C ILE A 109 -12.924 6.406 4.796 1.00 0.00 C ATOM 1687 O ILE A 109 -13.248 7.562 4.979 1.00 0.00 O ATOM 1688 CB ILE A 109 -10.893 5.784 6.114 1.00 0.00 C ATOM 1689 CG1 ILE A 109 -10.120 4.938 5.100 1.00 0.00 C ATOM 1690 CG2 ILE A 109 -10.472 5.390 7.530 1.00 0.00 C ATOM 1691 CD1 ILE A 109 -8.643 5.335 5.124 1.00 0.00 C ATOM 0 H ILE A 109 -12.047 3.720 4.882 1.00 0.00 H new ATOM 0 HA ILE A 109 -12.916 5.802 6.861 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.675 6.840 5.951 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -10.227 3.879 5.337 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -10.530 5.084 4.101 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -9.403 5.564 7.653 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -11.023 5.990 8.254 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -10.689 4.334 7.694 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -8.092 4.732 4.402 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -8.545 6.390 4.866 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -8.237 5.166 6.121 1.00 0.00 H new ATOM 1703 N ARG A 110 -13.015 5.857 3.615 1.00 0.00 N ATOM 1704 CA ARG A 110 -13.525 6.653 2.462 1.00 0.00 C ATOM 1705 C ARG A 110 -14.106 5.710 1.407 1.00 0.00 C ATOM 1706 O ARG A 110 -15.211 5.236 1.609 1.00 0.00 O ATOM 1707 CB ARG A 110 -12.378 7.460 1.851 1.00 0.00 C ATOM 1708 CG ARG A 110 -12.545 8.938 2.207 1.00 0.00 C ATOM 1709 CD ARG A 110 -11.206 9.505 2.682 1.00 0.00 C ATOM 1710 NE ARG A 110 -11.449 10.617 3.643 1.00 0.00 N ATOM 1711 CZ ARG A 110 -10.479 11.056 4.399 1.00 0.00 C ATOM 1712 NH1 ARG A 110 -9.290 10.520 4.319 1.00 0.00 N ATOM 1713 NH2 ARG A 110 -10.697 12.033 5.236 1.00 0.00 N ATOM 1714 OXT ARG A 110 -13.434 5.478 0.414 1.00 0.00 O ATOM 0 H ARG A 110 -12.759 4.894 3.399 1.00 0.00 H new ATOM 0 HA ARG A 110 -14.303 7.334 2.807 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -11.422 7.092 2.223 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -12.368 7.335 0.768 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -12.900 9.494 1.339 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -13.297 9.052 2.988 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -10.616 8.722 3.158 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -10.629 9.866 1.830 1.00 0.00 H new ATOM 0 HE ARG A 110 -12.376 11.037 3.711 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -9.118 9.757 3.665 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -8.534 10.865 4.911 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -11.624 12.453 5.299 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -9.940 12.377 5.827 1.00 0.00 H new TER 1728 ARG A 110