USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 603 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 33 GLN : amide:sc= 0.196 K(o=-0.39,f=-1.7) USER MOD Set 1.2: A 36 GLN : amide:sc= -0.583! C(o=-0.39!,f=-3.7!) USER MOD Single : A 1 GLY N :NH3+ -133:sc= 0.00985 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN :FLIP amide:sc= -0.4 F(o=-1.7,f=-0.4) USER MOD Single : A 23 CYS SG : rot 59:sc= -7.27! USER MOD Single : A 24 HIS : no HD1:sc= -0.32 K(o=-0.32,f=-0.83) USER MOD Single : A 25 GLN : amide:sc= -0.94 K(o=-0.94,f=-2.4) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=-0.0021) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.141 USER MOD Single : A 37 ASN : amide:sc=-0.00982 X(o=-0.0098,f=-0.074) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HD1:sc= -0.0107 X(o=-0.011,f=-0.027) USER MOD Single : A 45 GLN : amide:sc= -0.0165 X(o=-0.016,f=-0.0072) USER MOD Single : A 46 GLN : amide:sc= -0.462 X(o=-0.46,f=-0.085) USER MOD Single : A 52 ASN : amide:sc= -0.0109 X(o=-0.011,f=-0.03) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -162:sc= -2.78! (180deg=-3.12!) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 SER OG : rot 180:sc= -0.103 USER MOD Single : A 66 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.960 9.736 21.498 1.00 0.00 N ATOM 2 CA GLY A 1 -9.611 9.031 20.276 1.00 0.00 C ATOM 3 C GLY A 1 -8.095 8.869 20.150 1.00 0.00 C ATOM 4 O GLY A 1 -7.417 8.559 21.128 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.729 9.231 21.983 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.129 9.782 22.122 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.272 10.700 21.265 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.087 8.050 20.269 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.995 9.577 19.414 1.00 0.00 H new ATOM 8 N SER A 2 -7.608 9.086 18.937 1.00 0.00 N ATOM 9 CA SER A 2 -6.184 8.968 18.670 1.00 0.00 C ATOM 10 C SER A 2 -5.735 7.518 18.861 1.00 0.00 C ATOM 11 O SER A 2 -5.690 7.022 19.986 1.00 0.00 O ATOM 12 CB SER A 2 -5.375 9.899 19.575 1.00 0.00 C ATOM 13 OG SER A 2 -4.080 10.167 19.045 1.00 0.00 O ATOM 0 H SER A 2 -8.174 9.343 18.128 1.00 0.00 H new ATOM 0 HA SER A 2 -6.003 9.264 17.637 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.915 10.837 19.705 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.276 9.449 20.563 1.00 0.00 H new ATOM 0 HG SER A 2 -3.596 10.766 19.651 1.00 0.00 H new ATOM 19 N SER A 3 -5.413 6.880 17.746 1.00 0.00 N ATOM 20 CA SER A 3 -4.968 5.497 17.776 1.00 0.00 C ATOM 21 C SER A 3 -3.440 5.440 17.832 1.00 0.00 C ATOM 22 O SER A 3 -2.870 4.886 18.770 1.00 0.00 O ATOM 23 CB SER A 3 -5.484 4.726 16.560 1.00 0.00 C ATOM 24 OG SER A 3 -4.812 3.480 16.394 1.00 0.00 O ATOM 0 H SER A 3 -5.451 7.295 16.815 1.00 0.00 H new ATOM 0 HA SER A 3 -5.376 5.026 18.670 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.554 4.549 16.670 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.352 5.332 15.664 1.00 0.00 H new ATOM 0 HG SER A 3 -5.171 3.017 15.608 1.00 0.00 H new ATOM 30 N GLY A 4 -2.821 6.021 16.815 1.00 0.00 N ATOM 31 CA GLY A 4 -1.370 6.043 16.736 1.00 0.00 C ATOM 32 C GLY A 4 -0.889 7.142 15.786 1.00 0.00 C ATOM 33 O GLY A 4 -1.065 7.039 14.573 1.00 0.00 O ATOM 0 H GLY A 4 -3.298 6.480 16.039 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.951 6.206 17.729 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.006 5.075 16.392 1.00 0.00 H new ATOM 37 N SER A 5 -0.291 8.168 16.374 1.00 0.00 N ATOM 38 CA SER A 5 0.216 9.284 15.595 1.00 0.00 C ATOM 39 C SER A 5 1.573 8.924 14.986 1.00 0.00 C ATOM 40 O SER A 5 2.502 8.558 15.704 1.00 0.00 O ATOM 41 CB SER A 5 0.339 10.545 16.454 1.00 0.00 C ATOM 42 OG SER A 5 -0.906 11.226 16.582 1.00 0.00 O ATOM 0 H SER A 5 -0.146 8.249 17.380 1.00 0.00 H new ATOM 0 HA SER A 5 -0.493 9.490 14.793 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.708 10.275 17.443 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.075 11.215 16.011 1.00 0.00 H new ATOM 0 HG SER A 5 -0.787 12.024 17.138 1.00 0.00 H new ATOM 48 N SER A 6 1.643 9.040 13.668 1.00 0.00 N ATOM 49 CA SER A 6 2.870 8.731 12.954 1.00 0.00 C ATOM 50 C SER A 6 3.242 7.261 13.164 1.00 0.00 C ATOM 51 O SER A 6 2.772 6.627 14.107 1.00 0.00 O ATOM 52 CB SER A 6 4.016 9.638 13.409 1.00 0.00 C ATOM 53 OG SER A 6 5.049 9.723 12.431 1.00 0.00 O ATOM 0 H SER A 6 0.870 9.344 13.076 1.00 0.00 H new ATOM 0 HA SER A 6 2.701 8.909 11.892 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.629 10.636 13.615 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.431 9.258 14.343 1.00 0.00 H new ATOM 0 HG SER A 6 5.761 10.312 12.758 1.00 0.00 H new ATOM 59 N GLY A 7 4.082 6.763 12.268 1.00 0.00 N ATOM 60 CA GLY A 7 4.522 5.380 12.344 1.00 0.00 C ATOM 61 C GLY A 7 3.920 4.551 11.208 1.00 0.00 C ATOM 62 O GLY A 7 4.547 4.373 10.164 1.00 0.00 O ATOM 0 H GLY A 7 4.469 7.292 11.486 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.610 5.337 12.293 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.231 4.954 13.304 1.00 0.00 H new ATOM 66 N PRO A 8 2.679 4.052 11.455 1.00 0.00 N ATOM 67 CA PRO A 8 1.986 3.245 10.465 1.00 0.00 C ATOM 68 C PRO A 8 1.447 4.116 9.328 1.00 0.00 C ATOM 69 O PRO A 8 1.794 3.911 8.166 1.00 0.00 O ATOM 70 CB PRO A 8 0.889 2.532 11.238 1.00 0.00 C ATOM 71 CG PRO A 8 0.713 3.313 12.530 1.00 0.00 C ATOM 72 CD PRO A 8 1.907 4.242 12.679 1.00 0.00 C ATOM 0 HA PRO A 8 2.642 2.526 9.974 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.039 2.508 10.667 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.164 1.497 11.442 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.215 3.884 12.507 1.00 0.00 H new ATOM 0 HG3 PRO A 8 0.649 2.634 13.381 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.590 5.279 12.791 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.496 3.992 13.561 1.00 0.00 H new ATOM 80 N ASP A 9 0.607 5.070 9.704 1.00 0.00 N ATOM 81 CA ASP A 9 0.017 5.973 8.730 1.00 0.00 C ATOM 82 C ASP A 9 -0.951 5.193 7.839 1.00 0.00 C ATOM 83 O ASP A 9 -0.533 4.332 7.066 1.00 0.00 O ATOM 84 CB ASP A 9 1.089 6.594 7.833 1.00 0.00 C ATOM 85 CG ASP A 9 1.086 8.123 7.785 1.00 0.00 C ATOM 86 OD1 ASP A 9 1.158 8.726 8.878 1.00 0.00 O ATOM 87 OD2 ASP A 9 1.012 8.655 6.656 1.00 0.00 O ATOM 0 H ASP A 9 0.321 5.237 10.669 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.500 6.764 9.274 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.068 6.258 8.176 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.959 6.213 6.820 1.00 0.00 H new ATOM 92 N ALA A 10 -2.228 5.522 7.976 1.00 0.00 N ATOM 93 CA ALA A 10 -3.258 4.863 7.192 1.00 0.00 C ATOM 94 C ALA A 10 -3.403 3.414 7.663 1.00 0.00 C ATOM 95 O ALA A 10 -2.545 2.578 7.383 1.00 0.00 O ATOM 96 CB ALA A 10 -2.911 4.961 5.705 1.00 0.00 C ATOM 0 H ALA A 10 -2.572 6.236 8.618 1.00 0.00 H new ATOM 0 HA ALA A 10 -4.221 5.354 7.334 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.684 4.466 5.118 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.849 6.010 5.414 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.952 4.477 5.523 1.00 0.00 H new ATOM 102 N ASP A 11 -4.494 3.161 8.370 1.00 0.00 N ATOM 103 CA ASP A 11 -4.762 1.828 8.882 1.00 0.00 C ATOM 104 C ASP A 11 -4.421 0.795 7.807 1.00 0.00 C ATOM 105 O ASP A 11 -4.345 1.127 6.625 1.00 0.00 O ATOM 106 CB ASP A 11 -6.239 1.663 9.244 1.00 0.00 C ATOM 107 CG ASP A 11 -6.506 1.182 10.672 1.00 0.00 C ATOM 108 OD1 ASP A 11 -5.645 1.461 11.535 1.00 0.00 O ATOM 109 OD2 ASP A 11 -7.563 0.545 10.868 1.00 0.00 O ATOM 0 H ASP A 11 -5.203 3.857 8.601 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.154 1.682 9.774 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.742 2.619 9.099 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.691 0.956 8.548 1.00 0.00 H new ATOM 114 N PRO A 12 -4.219 -0.469 8.267 1.00 0.00 N ATOM 115 CA PRO A 12 -3.888 -1.552 7.357 1.00 0.00 C ATOM 116 C PRO A 12 -5.119 -2.000 6.566 1.00 0.00 C ATOM 117 O PRO A 12 -5.136 -1.918 5.339 1.00 0.00 O ATOM 118 CB PRO A 12 -3.321 -2.650 8.243 1.00 0.00 C ATOM 119 CG PRO A 12 -3.783 -2.327 9.654 1.00 0.00 C ATOM 120 CD PRO A 12 -4.301 -0.898 9.660 1.00 0.00 C ATOM 0 HA PRO A 12 -3.164 -1.256 6.597 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.681 -3.630 7.929 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.233 -2.676 8.185 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -4.566 -3.018 9.967 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.960 -2.437 10.360 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.325 -0.849 10.030 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.698 -0.261 10.307 1.00 0.00 H new ATOM 128 N VAL A 13 -6.119 -2.463 7.301 1.00 0.00 N ATOM 129 CA VAL A 13 -7.351 -2.923 6.683 1.00 0.00 C ATOM 130 C VAL A 13 -7.768 -1.937 5.590 1.00 0.00 C ATOM 131 O VAL A 13 -7.912 -2.315 4.429 1.00 0.00 O ATOM 132 CB VAL A 13 -8.429 -3.123 7.751 1.00 0.00 C ATOM 133 CG1 VAL A 13 -8.574 -1.876 8.624 1.00 0.00 C ATOM 134 CG2 VAL A 13 -9.767 -3.506 7.114 1.00 0.00 C ATOM 0 H VAL A 13 -6.101 -2.530 8.319 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.201 -3.892 6.206 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.116 -3.946 8.393 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -9.346 -2.045 9.374 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.626 -1.667 9.120 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -8.853 -1.026 8.001 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -10.516 -3.642 7.894 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -10.088 -2.714 6.438 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.652 -4.435 6.556 1.00 0.00 H new ATOM 144 N GLU A 14 -7.951 -0.690 6.001 1.00 0.00 N ATOM 145 CA GLU A 14 -8.349 0.353 5.072 1.00 0.00 C ATOM 146 C GLU A 14 -7.551 0.238 3.771 1.00 0.00 C ATOM 147 O GLU A 14 -8.129 0.165 2.688 1.00 0.00 O ATOM 148 CB GLU A 14 -8.180 1.739 5.698 1.00 0.00 C ATOM 149 CG GLU A 14 -9.532 2.322 6.113 1.00 0.00 C ATOM 150 CD GLU A 14 -9.946 3.464 5.182 1.00 0.00 C ATOM 151 OE1 GLU A 14 -9.073 4.314 4.905 1.00 0.00 O ATOM 152 OE2 GLU A 14 -11.126 3.460 4.769 1.00 0.00 O ATOM 0 H GLU A 14 -7.831 -0.379 6.965 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.406 0.222 4.840 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.527 1.672 6.568 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.695 2.407 4.986 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -10.291 1.540 6.094 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.475 2.687 7.139 1.00 0.00 H new ATOM 159 N ILE A 15 -6.235 0.226 3.921 1.00 0.00 N ATOM 160 CA ILE A 15 -5.351 0.121 2.773 1.00 0.00 C ATOM 161 C ILE A 15 -5.815 -1.034 1.882 1.00 0.00 C ATOM 162 O ILE A 15 -6.071 -0.842 0.694 1.00 0.00 O ATOM 163 CB ILE A 15 -3.895 0.001 3.226 1.00 0.00 C ATOM 164 CG1 ILE A 15 -3.423 1.291 3.899 1.00 0.00 C ATOM 165 CG2 ILE A 15 -2.989 -0.401 2.060 1.00 0.00 C ATOM 166 CD1 ILE A 15 -2.196 1.034 4.777 1.00 0.00 C ATOM 0 H ILE A 15 -5.759 0.287 4.821 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.399 1.029 2.171 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.833 -0.793 3.970 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.182 2.035 3.139 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.229 1.705 4.506 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.959 -0.479 2.409 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.312 -1.364 1.664 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.050 0.353 1.275 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.881 1.967 5.244 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.448 0.308 5.550 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.385 0.643 4.163 1.00 0.00 H new ATOM 178 N GLU A 16 -5.908 -2.207 2.490 1.00 0.00 N ATOM 179 CA GLU A 16 -6.337 -3.393 1.767 1.00 0.00 C ATOM 180 C GLU A 16 -7.685 -3.143 1.089 1.00 0.00 C ATOM 181 O GLU A 16 -7.792 -3.217 -0.134 1.00 0.00 O ATOM 182 CB GLU A 16 -6.407 -4.606 2.697 1.00 0.00 C ATOM 183 CG GLU A 16 -5.077 -4.819 3.422 1.00 0.00 C ATOM 184 CD GLU A 16 -4.600 -6.266 3.278 1.00 0.00 C ATOM 185 OE1 GLU A 16 -5.145 -7.119 4.010 1.00 0.00 O ATOM 186 OE2 GLU A 16 -3.700 -6.485 2.438 1.00 0.00 O ATOM 0 H GLU A 16 -5.694 -2.362 3.475 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.599 -3.611 0.995 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.204 -4.464 3.427 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.658 -5.497 2.121 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.325 -4.142 3.016 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.191 -4.573 4.478 1.00 0.00 H new ATOM 193 N ASN A 17 -8.681 -2.850 1.912 1.00 0.00 N ATOM 194 CA ASN A 17 -10.018 -2.589 1.407 1.00 0.00 C ATOM 195 C ASN A 17 -9.921 -1.754 0.128 1.00 0.00 C ATOM 196 O ASN A 17 -10.561 -2.070 -0.873 1.00 0.00 O ATOM 197 CB ASN A 17 -10.846 -1.801 2.424 1.00 0.00 C ATOM 198 CG ASN A 17 -11.754 -2.732 3.230 1.00 0.00 C ATOM 199 OD1 ASN A 17 -11.516 -2.720 4.539 1.00 0.00 O flip ATOM 200 ND2 ASN A 17 -12.614 -3.416 2.699 1.00 0.00 N flip ATOM 0 H ASN A 17 -8.589 -2.788 2.926 1.00 0.00 H new ATOM 0 HA ASN A 17 -10.500 -3.548 1.215 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.182 -1.261 3.099 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.450 -1.056 1.907 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.744 -3.378 1.688 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -13.203 -4.026 3.266 1.00 0.00 H new ATOM 207 N ARG A 18 -9.115 -0.705 0.204 1.00 0.00 N ATOM 208 CA ARG A 18 -8.926 0.177 -0.935 1.00 0.00 C ATOM 209 C ARG A 18 -8.562 -0.634 -2.180 1.00 0.00 C ATOM 210 O ARG A 18 -9.162 -0.457 -3.239 1.00 0.00 O ATOM 211 CB ARG A 18 -7.823 1.201 -0.661 1.00 0.00 C ATOM 212 CG ARG A 18 -8.404 2.610 -0.525 1.00 0.00 C ATOM 213 CD ARG A 18 -9.128 3.031 -1.805 1.00 0.00 C ATOM 214 NE ARG A 18 -8.385 4.125 -2.470 1.00 0.00 N ATOM 215 CZ ARG A 18 -8.883 4.877 -3.461 1.00 0.00 C ATOM 216 NH1 ARG A 18 -10.127 4.657 -3.908 1.00 0.00 N ATOM 217 NH2 ARG A 18 -8.138 5.848 -4.005 1.00 0.00 N ATOM 0 H ARG A 18 -8.586 -0.446 1.037 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.864 0.706 -1.104 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.292 0.933 0.252 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.094 1.181 -1.471 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.097 2.642 0.316 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.604 3.317 -0.306 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.218 2.179 -2.479 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.140 3.359 -1.569 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.435 4.319 -2.154 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.694 3.917 -3.494 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.507 5.229 -4.662 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.191 6.015 -3.665 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.518 6.420 -4.759 1.00 0.00 H new ATOM 231 N ILE A 19 -7.579 -1.508 -2.012 1.00 0.00 N ATOM 232 CA ILE A 19 -7.128 -2.347 -3.109 1.00 0.00 C ATOM 233 C ILE A 19 -8.318 -3.128 -3.670 1.00 0.00 C ATOM 234 O ILE A 19 -8.453 -3.272 -4.884 1.00 0.00 O ATOM 235 CB ILE A 19 -5.965 -3.235 -2.661 1.00 0.00 C ATOM 236 CG1 ILE A 19 -4.718 -2.399 -2.369 1.00 0.00 C ATOM 237 CG2 ILE A 19 -5.690 -4.336 -3.686 1.00 0.00 C ATOM 238 CD1 ILE A 19 -3.781 -3.130 -1.406 1.00 0.00 C ATOM 0 H ILE A 19 -7.083 -1.653 -1.133 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.736 -1.735 -3.921 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.249 -3.726 -1.730 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.193 -2.185 -3.300 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.011 -1.441 -1.940 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.859 -4.953 -3.343 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.579 -4.956 -3.801 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.436 -3.885 -4.645 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.902 -2.514 -1.215 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.301 -3.321 -0.467 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.471 -4.077 -1.848 1.00 0.00 H new ATOM 250 N ILE A 20 -9.149 -3.612 -2.760 1.00 0.00 N ATOM 251 CA ILE A 20 -10.323 -4.375 -3.149 1.00 0.00 C ATOM 252 C ILE A 20 -11.198 -3.523 -4.071 1.00 0.00 C ATOM 253 O ILE A 20 -11.508 -3.930 -5.189 1.00 0.00 O ATOM 254 CB ILE A 20 -11.058 -4.896 -1.913 1.00 0.00 C ATOM 255 CG1 ILE A 20 -10.098 -5.625 -0.971 1.00 0.00 C ATOM 256 CG2 ILE A 20 -12.248 -5.772 -2.310 1.00 0.00 C ATOM 257 CD1 ILE A 20 -9.155 -6.542 -1.752 1.00 0.00 C ATOM 0 H ILE A 20 -9.033 -3.491 -1.754 1.00 0.00 H new ATOM 0 HA ILE A 20 -10.031 -5.260 -3.714 1.00 0.00 H new ATOM 0 HB ILE A 20 -11.457 -4.041 -1.368 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -9.517 -4.898 -0.404 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -10.666 -6.212 -0.249 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -12.753 -6.129 -1.412 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -12.946 -5.188 -2.910 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -11.895 -6.624 -2.891 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -8.483 -7.048 -1.059 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -9.738 -7.283 -2.299 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -8.571 -5.949 -2.456 1.00 0.00 H new ATOM 269 N GLU A 21 -11.570 -2.355 -3.567 1.00 0.00 N ATOM 270 CA GLU A 21 -12.403 -1.442 -4.332 1.00 0.00 C ATOM 271 C GLU A 21 -11.804 -1.215 -5.721 1.00 0.00 C ATOM 272 O GLU A 21 -12.535 -1.060 -6.698 1.00 0.00 O ATOM 273 CB GLU A 21 -12.587 -0.117 -3.590 1.00 0.00 C ATOM 274 CG GLU A 21 -13.632 -0.249 -2.481 1.00 0.00 C ATOM 275 CD GLU A 21 -14.727 0.808 -2.630 1.00 0.00 C ATOM 276 OE1 GLU A 21 -14.413 1.991 -2.375 1.00 0.00 O ATOM 277 OE2 GLU A 21 -15.854 0.410 -2.996 1.00 0.00 O ATOM 0 H GLU A 21 -11.310 -2.020 -2.639 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.388 -1.893 -4.452 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.636 0.199 -3.162 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -12.894 0.658 -4.293 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -14.076 -1.244 -2.511 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -13.151 -0.144 -1.509 1.00 0.00 H new ATOM 284 N LEU A 22 -10.480 -1.201 -5.765 1.00 0.00 N ATOM 285 CA LEU A 22 -9.775 -0.995 -7.019 1.00 0.00 C ATOM 286 C LEU A 22 -9.820 -2.284 -7.842 1.00 0.00 C ATOM 287 O LEU A 22 -10.318 -2.288 -8.967 1.00 0.00 O ATOM 288 CB LEU A 22 -8.357 -0.482 -6.758 1.00 0.00 C ATOM 289 CG LEU A 22 -8.156 1.029 -6.889 1.00 0.00 C ATOM 290 CD1 LEU A 22 -7.494 1.605 -5.636 1.00 0.00 C ATOM 291 CD2 LEU A 22 -7.374 1.370 -8.159 1.00 0.00 C ATOM 0 H LEU A 22 -9.877 -1.329 -4.953 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.266 -0.222 -7.610 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.063 -0.782 -5.752 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.678 -0.980 -7.450 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.136 1.497 -6.979 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.363 2.680 -5.756 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.125 1.411 -4.769 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.522 1.135 -5.489 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.245 2.450 -8.228 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.396 0.889 -8.124 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.923 1.014 -9.031 1.00 0.00 H new ATOM 303 N CYS A 23 -9.294 -3.346 -7.250 1.00 0.00 N ATOM 304 CA CYS A 23 -9.268 -4.637 -7.915 1.00 0.00 C ATOM 305 C CYS A 23 -10.646 -4.887 -8.533 1.00 0.00 C ATOM 306 O CYS A 23 -10.757 -5.551 -9.562 1.00 0.00 O ATOM 307 CB CYS A 23 -8.861 -5.759 -6.957 1.00 0.00 C ATOM 308 SG CYS A 23 -7.216 -5.402 -6.240 1.00 0.00 S ATOM 0 H CYS A 23 -8.882 -3.339 -6.317 1.00 0.00 H new ATOM 0 HA CYS A 23 -8.514 -4.628 -8.702 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -9.600 -5.856 -6.162 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -8.837 -6.711 -7.488 1.00 0.00 H new ATOM 0 HG CYS A 23 -7.256 -4.267 -5.607 1.00 0.00 H new ATOM 314 N HIS A 24 -11.660 -4.342 -7.878 1.00 0.00 N ATOM 315 CA HIS A 24 -13.026 -4.497 -8.350 1.00 0.00 C ATOM 316 C HIS A 24 -13.281 -3.532 -9.509 1.00 0.00 C ATOM 317 O HIS A 24 -13.890 -3.905 -10.511 1.00 0.00 O ATOM 318 CB HIS A 24 -14.021 -4.321 -7.202 1.00 0.00 C ATOM 319 CG HIS A 24 -14.529 -5.620 -6.624 1.00 0.00 C ATOM 320 ND1 HIS A 24 -14.871 -6.707 -7.410 1.00 0.00 N ATOM 321 CD2 HIS A 24 -14.749 -5.995 -5.331 1.00 0.00 C ATOM 322 CE1 HIS A 24 -15.277 -7.686 -6.615 1.00 0.00 C ATOM 323 NE2 HIS A 24 -15.201 -7.243 -5.328 1.00 0.00 N ATOM 0 H HIS A 24 -11.564 -3.792 -7.024 1.00 0.00 H new ATOM 0 HA HIS A 24 -13.171 -5.509 -8.727 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -13.546 -3.744 -6.409 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -14.870 -3.737 -7.557 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -14.584 -5.381 -4.458 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -15.610 -8.664 -6.931 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -15.451 -7.782 -4.499 1.00 0.00 H new ATOM 331 N GLN A 25 -12.802 -2.308 -9.335 1.00 0.00 N ATOM 332 CA GLN A 25 -12.971 -1.287 -10.354 1.00 0.00 C ATOM 333 C GLN A 25 -12.274 -1.709 -11.649 1.00 0.00 C ATOM 334 O GLN A 25 -12.709 -1.342 -12.740 1.00 0.00 O ATOM 335 CB GLN A 25 -12.448 0.066 -9.866 1.00 0.00 C ATOM 336 CG GLN A 25 -13.594 0.950 -9.369 1.00 0.00 C ATOM 337 CD GLN A 25 -14.674 1.101 -10.442 1.00 0.00 C ATOM 338 OE1 GLN A 25 -14.465 0.832 -11.613 1.00 0.00 O ATOM 339 NE2 GLN A 25 -15.838 1.547 -9.978 1.00 0.00 N ATOM 0 H GLN A 25 -12.297 -2.001 -8.503 1.00 0.00 H new ATOM 0 HA GLN A 25 -14.036 -1.177 -10.557 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.727 -0.087 -9.063 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.920 0.570 -10.676 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -14.029 0.516 -8.469 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.208 1.932 -9.095 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -15.946 1.753 -8.985 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -16.623 1.683 -10.615 1.00 0.00 H new ATOM 348 N PHE A 26 -11.205 -2.474 -11.486 1.00 0.00 N ATOM 349 CA PHE A 26 -10.444 -2.950 -12.629 1.00 0.00 C ATOM 350 C PHE A 26 -10.381 -4.478 -12.648 1.00 0.00 C ATOM 351 O PHE A 26 -9.661 -5.084 -11.856 1.00 0.00 O ATOM 352 CB PHE A 26 -9.025 -2.395 -12.484 1.00 0.00 C ATOM 353 CG PHE A 26 -8.958 -0.868 -12.414 1.00 0.00 C ATOM 354 CD1 PHE A 26 -9.222 -0.229 -11.243 1.00 0.00 C ATOM 355 CD2 PHE A 26 -8.636 -0.150 -13.523 1.00 0.00 C ATOM 356 CE1 PHE A 26 -9.160 1.188 -11.177 1.00 0.00 C ATOM 357 CE2 PHE A 26 -8.574 1.267 -13.457 1.00 0.00 C ATOM 358 CZ PHE A 26 -8.837 1.906 -12.286 1.00 0.00 C ATOM 0 H PHE A 26 -10.848 -2.776 -10.580 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.917 -2.621 -13.554 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.574 -2.810 -11.583 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.424 -2.737 -13.327 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -9.479 -0.800 -10.363 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -8.428 -0.657 -14.453 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -9.369 1.695 -10.247 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -8.318 1.838 -14.337 1.00 0.00 H new ATOM 0 HZ PHE A 26 -8.789 2.984 -12.237 1.00 0.00 H new ATOM 368 N PRO A 27 -11.167 -5.074 -13.585 1.00 0.00 N ATOM 369 CA PRO A 27 -11.208 -6.520 -13.718 1.00 0.00 C ATOM 370 C PRO A 27 -9.940 -7.045 -14.396 1.00 0.00 C ATOM 371 O PRO A 27 -9.607 -8.222 -14.272 1.00 0.00 O ATOM 372 CB PRO A 27 -12.470 -6.807 -14.515 1.00 0.00 C ATOM 373 CG PRO A 27 -12.839 -5.499 -15.195 1.00 0.00 C ATOM 374 CD PRO A 27 -12.033 -4.389 -14.540 1.00 0.00 C ATOM 0 HA PRO A 27 -11.237 -7.030 -12.755 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.298 -7.594 -15.249 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.274 -7.149 -13.864 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -12.622 -5.549 -16.262 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -13.907 -5.305 -15.095 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -11.451 -3.835 -15.276 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.682 -3.670 -14.041 1.00 0.00 H new ATOM 382 N HIS A 28 -9.268 -6.145 -15.099 1.00 0.00 N ATOM 383 CA HIS A 28 -8.045 -6.502 -15.797 1.00 0.00 C ATOM 384 C HIS A 28 -6.870 -6.481 -14.818 1.00 0.00 C ATOM 385 O HIS A 28 -5.959 -7.301 -14.918 1.00 0.00 O ATOM 386 CB HIS A 28 -7.825 -5.592 -17.007 1.00 0.00 C ATOM 387 CG HIS A 28 -9.069 -5.346 -17.826 1.00 0.00 C ATOM 388 ND1 HIS A 28 -9.604 -4.085 -18.018 1.00 0.00 N ATOM 389 CD2 HIS A 28 -9.877 -6.214 -18.501 1.00 0.00 C ATOM 390 CE1 HIS A 28 -10.686 -4.199 -18.775 1.00 0.00 C ATOM 391 NE2 HIS A 28 -10.853 -5.520 -19.073 1.00 0.00 N ATOM 0 H HIS A 28 -9.548 -5.169 -15.200 1.00 0.00 H new ATOM 0 HA HIS A 28 -8.128 -7.516 -16.188 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.435 -4.635 -16.662 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -7.063 -6.035 -17.648 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -9.745 -7.284 -18.560 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -11.323 -3.389 -19.099 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -11.604 -5.910 -19.642 1.00 0.00 H new ATOM 399 N GLY A 29 -6.929 -5.534 -13.893 1.00 0.00 N ATOM 400 CA GLY A 29 -5.881 -5.395 -12.896 1.00 0.00 C ATOM 401 C GLY A 29 -5.434 -3.937 -12.770 1.00 0.00 C ATOM 402 O GLY A 29 -5.913 -3.072 -13.501 1.00 0.00 O ATOM 0 H GLY A 29 -7.686 -4.855 -13.813 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.242 -5.753 -11.932 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.029 -6.018 -13.169 1.00 0.00 H new ATOM 406 N ILE A 30 -4.520 -3.711 -11.838 1.00 0.00 N ATOM 407 CA ILE A 30 -4.003 -2.373 -11.606 1.00 0.00 C ATOM 408 C ILE A 30 -2.478 -2.432 -11.497 1.00 0.00 C ATOM 409 O ILE A 30 -1.922 -3.440 -11.062 1.00 0.00 O ATOM 410 CB ILE A 30 -4.683 -1.738 -10.392 1.00 0.00 C ATOM 411 CG1 ILE A 30 -4.327 -2.491 -9.108 1.00 0.00 C ATOM 412 CG2 ILE A 30 -6.196 -1.640 -10.599 1.00 0.00 C ATOM 413 CD1 ILE A 30 -5.066 -1.903 -7.905 1.00 0.00 C ATOM 0 H ILE A 30 -4.124 -4.432 -11.235 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.238 -1.723 -12.449 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.307 -0.721 -10.283 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.583 -3.545 -9.217 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.251 -2.440 -8.939 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.655 -1.185 -9.721 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.404 -1.027 -11.476 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.608 -2.638 -10.748 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.795 -2.456 -7.006 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.789 -0.856 -7.784 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -6.141 -1.977 -8.067 1.00 0.00 H new ATOM 425 N THR A 31 -1.845 -1.340 -11.898 1.00 0.00 N ATOM 426 CA THR A 31 -0.395 -1.255 -11.850 1.00 0.00 C ATOM 427 C THR A 31 0.049 -0.376 -10.679 1.00 0.00 C ATOM 428 O THR A 31 -0.646 0.568 -10.307 1.00 0.00 O ATOM 429 CB THR A 31 0.094 -0.750 -13.208 1.00 0.00 C ATOM 430 OG1 THR A 31 -0.547 0.514 -13.360 1.00 0.00 O ATOM 431 CG2 THR A 31 -0.445 -1.583 -14.372 1.00 0.00 C ATOM 0 H THR A 31 -2.309 -0.506 -12.258 1.00 0.00 H new ATOM 0 HA THR A 31 0.053 -2.232 -11.670 1.00 0.00 H new ATOM 0 HB THR A 31 1.184 -0.762 -13.228 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.284 0.914 -14.215 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.067 -1.182 -15.312 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.118 -2.617 -14.261 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.534 -1.545 -14.373 1.00 0.00 H new ATOM 439 N ASP A 32 1.206 -0.718 -10.129 1.00 0.00 N ATOM 440 CA ASP A 32 1.751 0.027 -9.008 1.00 0.00 C ATOM 441 C ASP A 32 1.537 1.524 -9.244 1.00 0.00 C ATOM 442 O ASP A 32 1.395 2.292 -8.293 1.00 0.00 O ATOM 443 CB ASP A 32 3.254 -0.218 -8.862 1.00 0.00 C ATOM 444 CG ASP A 32 3.993 0.795 -7.985 1.00 0.00 C ATOM 445 OD1 ASP A 32 3.867 0.672 -6.747 1.00 0.00 O ATOM 446 OD2 ASP A 32 4.666 1.669 -8.571 1.00 0.00 O ATOM 0 H ASP A 32 1.780 -1.502 -10.440 1.00 0.00 H new ATOM 0 HA ASP A 32 1.242 -0.305 -8.103 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.406 -1.214 -8.447 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.705 -0.214 -9.854 1.00 0.00 H new ATOM 451 N GLN A 33 1.521 1.893 -10.516 1.00 0.00 N ATOM 452 CA GLN A 33 1.326 3.284 -10.889 1.00 0.00 C ATOM 453 C GLN A 33 -0.059 3.763 -10.449 1.00 0.00 C ATOM 454 O GLN A 33 -0.178 4.749 -9.723 1.00 0.00 O ATOM 455 CB GLN A 33 1.523 3.481 -12.393 1.00 0.00 C ATOM 456 CG GLN A 33 2.990 3.762 -12.722 1.00 0.00 C ATOM 457 CD GLN A 33 3.283 5.263 -12.685 1.00 0.00 C ATOM 458 OE1 GLN A 33 3.150 5.973 -13.668 1.00 0.00 O ATOM 459 NE2 GLN A 33 3.689 5.706 -11.497 1.00 0.00 N ATOM 0 H GLN A 33 1.640 1.253 -11.301 1.00 0.00 H new ATOM 0 HA GLN A 33 2.076 3.886 -10.376 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.191 2.590 -12.926 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.904 4.309 -12.739 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.632 3.245 -12.009 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.227 3.366 -13.709 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.779 5.058 -10.715 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.910 6.694 -11.369 1.00 0.00 H new ATOM 468 N VAL A 34 -1.072 3.043 -10.908 1.00 0.00 N ATOM 469 CA VAL A 34 -2.444 3.382 -10.571 1.00 0.00 C ATOM 470 C VAL A 34 -2.540 3.674 -9.073 1.00 0.00 C ATOM 471 O VAL A 34 -2.704 4.825 -8.670 1.00 0.00 O ATOM 472 CB VAL A 34 -3.385 2.263 -11.023 1.00 0.00 C ATOM 473 CG1 VAL A 34 -4.781 2.446 -10.424 1.00 0.00 C ATOM 474 CG2 VAL A 34 -3.450 2.184 -12.550 1.00 0.00 C ATOM 0 H VAL A 34 -0.970 2.226 -11.510 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.755 4.284 -11.098 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.983 1.319 -10.656 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.430 1.638 -10.761 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.715 2.429 -9.336 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.193 3.402 -10.748 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.125 1.381 -12.844 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.816 3.130 -12.948 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.455 1.985 -12.947 1.00 0.00 H new ATOM 484 N ILE A 35 -2.433 2.613 -8.287 1.00 0.00 N ATOM 485 CA ILE A 35 -2.505 2.741 -6.841 1.00 0.00 C ATOM 486 C ILE A 35 -1.727 3.984 -6.405 1.00 0.00 C ATOM 487 O ILE A 35 -2.093 4.640 -5.430 1.00 0.00 O ATOM 488 CB ILE A 35 -2.034 1.452 -6.165 1.00 0.00 C ATOM 489 CG1 ILE A 35 -2.972 0.288 -6.492 1.00 0.00 C ATOM 490 CG2 ILE A 35 -1.873 1.652 -4.656 1.00 0.00 C ATOM 491 CD1 ILE A 35 -2.204 -1.034 -6.549 1.00 0.00 C ATOM 0 H ILE A 35 -2.297 1.660 -8.624 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.538 2.882 -6.521 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.052 1.196 -6.563 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.756 0.225 -5.738 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.463 0.469 -7.448 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.537 0.721 -4.199 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.137 2.434 -4.469 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.830 1.944 -4.224 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.893 -1.845 -6.783 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.436 -0.976 -7.321 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.734 -1.224 -5.584 1.00 0.00 H new ATOM 503 N GLN A 36 -0.668 4.271 -7.147 1.00 0.00 N ATOM 504 CA GLN A 36 0.165 5.424 -6.849 1.00 0.00 C ATOM 505 C GLN A 36 -0.655 6.712 -6.952 1.00 0.00 C ATOM 506 O GLN A 36 -0.633 7.540 -6.043 1.00 0.00 O ATOM 507 CB GLN A 36 1.383 5.474 -7.773 1.00 0.00 C ATOM 508 CG GLN A 36 2.625 5.953 -7.018 1.00 0.00 C ATOM 509 CD GLN A 36 3.901 5.622 -7.794 1.00 0.00 C ATOM 510 OE1 GLN A 36 3.903 5.488 -9.007 1.00 0.00 O ATOM 511 NE2 GLN A 36 4.983 5.498 -7.030 1.00 0.00 N ATOM 0 H GLN A 36 -0.367 3.725 -7.954 1.00 0.00 H new ATOM 0 HA GLN A 36 0.530 5.330 -5.826 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.567 4.485 -8.192 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.182 6.142 -8.610 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.563 7.029 -6.855 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.661 5.483 -6.035 1.00 0.00 H new ATOM 0 HE21 GLN A 36 4.911 5.623 -6.020 1.00 0.00 H new ATOM 0 HE22 GLN A 36 5.884 5.278 -7.454 1.00 0.00 H new ATOM 520 N ASN A 37 -1.358 6.840 -8.068 1.00 0.00 N ATOM 521 CA ASN A 37 -2.183 8.013 -8.301 1.00 0.00 C ATOM 522 C ASN A 37 -3.421 7.947 -7.405 1.00 0.00 C ATOM 523 O ASN A 37 -4.139 8.935 -7.258 1.00 0.00 O ATOM 524 CB ASN A 37 -2.654 8.074 -9.756 1.00 0.00 C ATOM 525 CG ASN A 37 -2.244 9.395 -10.410 1.00 0.00 C ATOM 526 OD1 ASN A 37 -2.448 10.472 -9.875 1.00 0.00 O ATOM 527 ND2 ASN A 37 -1.656 9.252 -11.595 1.00 0.00 N ATOM 0 H ASN A 37 -1.373 6.151 -8.820 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.585 8.896 -8.078 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -2.229 7.240 -10.315 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.738 7.965 -9.796 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.345 10.074 -12.113 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.516 8.320 -11.986 1.00 0.00 H new ATOM 534 N GLU A 38 -3.634 6.773 -6.830 1.00 0.00 N ATOM 535 CA GLU A 38 -4.773 6.565 -5.952 1.00 0.00 C ATOM 536 C GLU A 38 -4.399 6.905 -4.508 1.00 0.00 C ATOM 537 O GLU A 38 -5.146 7.595 -3.816 1.00 0.00 O ATOM 538 CB GLU A 38 -5.294 5.131 -6.061 1.00 0.00 C ATOM 539 CG GLU A 38 -5.748 4.819 -7.488 1.00 0.00 C ATOM 540 CD GLU A 38 -7.076 5.510 -7.805 1.00 0.00 C ATOM 541 OE1 GLU A 38 -8.119 4.930 -7.434 1.00 0.00 O ATOM 542 OE2 GLU A 38 -7.017 6.602 -8.410 1.00 0.00 O ATOM 0 H GLU A 38 -3.037 5.955 -6.955 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.576 7.233 -6.265 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.512 4.433 -5.764 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.126 4.989 -5.372 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.986 5.146 -8.195 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.856 3.741 -7.612 1.00 0.00 H new ATOM 549 N MET A 39 -3.244 6.404 -4.096 1.00 0.00 N ATOM 550 CA MET A 39 -2.762 6.646 -2.746 1.00 0.00 C ATOM 551 C MET A 39 -1.249 6.874 -2.737 1.00 0.00 C ATOM 552 O MET A 39 -0.493 6.028 -2.263 1.00 0.00 O ATOM 553 CB MET A 39 -3.103 5.447 -1.860 1.00 0.00 C ATOM 554 CG MET A 39 -4.523 4.947 -2.136 1.00 0.00 C ATOM 555 SD MET A 39 -5.117 3.997 -0.746 1.00 0.00 S ATOM 556 CE MET A 39 -4.421 2.402 -1.141 1.00 0.00 C ATOM 0 H MET A 39 -2.628 5.832 -4.673 1.00 0.00 H new ATOM 0 HA MET A 39 -3.248 7.543 -2.362 1.00 0.00 H new ATOM 0 HB2 MET A 39 -2.389 4.643 -2.040 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.010 5.727 -0.811 1.00 0.00 H new ATOM 0 HG2 MET A 39 -5.186 5.793 -2.319 1.00 0.00 H new ATOM 0 HG3 MET A 39 -4.533 4.334 -3.037 1.00 0.00 H new ATOM 0 HE1 MET A 39 -4.697 1.683 -0.369 1.00 0.00 H new ATOM 0 HE2 MET A 39 -4.805 2.066 -2.104 1.00 0.00 H new ATOM 0 HE3 MET A 39 -3.335 2.481 -1.191 1.00 0.00 H new ATOM 566 N PRO A 40 -0.842 8.053 -3.280 1.00 0.00 N ATOM 567 CA PRO A 40 0.566 8.403 -3.339 1.00 0.00 C ATOM 568 C PRO A 40 1.086 8.819 -1.961 1.00 0.00 C ATOM 569 O PRO A 40 2.261 9.150 -1.810 1.00 0.00 O ATOM 570 CB PRO A 40 0.652 9.519 -4.367 1.00 0.00 C ATOM 571 CG PRO A 40 -0.758 10.068 -4.504 1.00 0.00 C ATOM 572 CD PRO A 40 -1.710 9.079 -3.851 1.00 0.00 C ATOM 0 HA PRO A 40 1.196 7.562 -3.630 1.00 0.00 H new ATOM 0 HB2 PRO A 40 1.344 10.296 -4.043 1.00 0.00 H new ATOM 0 HB3 PRO A 40 1.019 9.143 -5.322 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.835 11.045 -4.026 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.013 10.206 -5.555 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.314 9.560 -3.082 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.400 8.654 -4.579 1.00 0.00 H new ATOM 580 N HIS A 41 0.185 8.788 -0.990 1.00 0.00 N ATOM 581 CA HIS A 41 0.537 9.157 0.370 1.00 0.00 C ATOM 582 C HIS A 41 0.948 7.908 1.152 1.00 0.00 C ATOM 583 O HIS A 41 1.590 8.007 2.196 1.00 0.00 O ATOM 584 CB HIS A 41 -0.606 9.925 1.038 1.00 0.00 C ATOM 585 CG HIS A 41 -1.851 9.100 1.263 1.00 0.00 C ATOM 586 ND1 HIS A 41 -2.910 9.083 0.372 1.00 0.00 N ATOM 587 CD2 HIS A 41 -2.194 8.264 2.285 1.00 0.00 C ATOM 588 CE1 HIS A 41 -3.843 8.271 0.847 1.00 0.00 C ATOM 589 NE2 HIS A 41 -3.397 7.765 2.032 1.00 0.00 N ATOM 0 H HIS A 41 -0.789 8.513 -1.119 1.00 0.00 H new ATOM 0 HA HIS A 41 1.393 9.832 0.357 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -0.260 10.310 1.997 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -0.860 10.787 0.421 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -1.589 8.045 3.153 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -4.790 8.049 0.378 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -3.905 7.110 2.627 1.00 0.00 H new ATOM 597 N ILE A 42 0.561 6.760 0.615 1.00 0.00 N ATOM 598 CA ILE A 42 0.881 5.492 1.249 1.00 0.00 C ATOM 599 C ILE A 42 2.385 5.237 1.138 1.00 0.00 C ATOM 600 O ILE A 42 3.063 5.846 0.311 1.00 0.00 O ATOM 601 CB ILE A 42 0.022 4.369 0.665 1.00 0.00 C ATOM 602 CG1 ILE A 42 -1.465 4.632 0.910 1.00 0.00 C ATOM 603 CG2 ILE A 42 0.460 3.006 1.205 1.00 0.00 C ATOM 604 CD1 ILE A 42 -1.897 4.103 2.279 1.00 0.00 C ATOM 0 H ILE A 42 0.029 6.681 -0.252 1.00 0.00 H new ATOM 0 HA ILE A 42 0.640 5.526 2.312 1.00 0.00 H new ATOM 0 HB ILE A 42 0.172 4.351 -0.414 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.663 5.702 0.851 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.056 4.154 0.129 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.167 2.225 0.774 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.501 2.825 0.936 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.359 2.995 2.290 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.958 4.303 2.428 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.720 3.029 2.326 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.321 4.600 3.059 1.00 0.00 H new ATOM 616 N GLU A 43 2.864 4.335 1.983 1.00 0.00 N ATOM 617 CA GLU A 43 4.276 3.992 1.990 1.00 0.00 C ATOM 618 C GLU A 43 4.531 2.776 1.097 1.00 0.00 C ATOM 619 O GLU A 43 3.645 1.944 0.907 1.00 0.00 O ATOM 620 CB GLU A 43 4.772 3.740 3.415 1.00 0.00 C ATOM 621 CG GLU A 43 5.461 4.982 3.984 1.00 0.00 C ATOM 622 CD GLU A 43 6.912 4.678 4.362 1.00 0.00 C ATOM 623 OE1 GLU A 43 7.640 4.187 3.472 1.00 0.00 O ATOM 624 OE2 GLU A 43 7.261 4.944 5.533 1.00 0.00 O ATOM 0 H GLU A 43 2.299 3.832 2.667 1.00 0.00 H new ATOM 0 HA GLU A 43 4.837 4.836 1.590 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.933 3.462 4.052 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.467 2.900 3.419 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.434 5.786 3.249 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.919 5.333 4.862 1.00 0.00 H new ATOM 631 N ALA A 44 5.746 2.711 0.573 1.00 0.00 N ATOM 632 CA ALA A 44 6.129 1.611 -0.295 1.00 0.00 C ATOM 633 C ALA A 44 5.881 0.286 0.429 1.00 0.00 C ATOM 634 O ALA A 44 5.426 -0.682 -0.179 1.00 0.00 O ATOM 635 CB ALA A 44 7.590 1.779 -0.719 1.00 0.00 C ATOM 0 H ALA A 44 6.478 3.403 0.733 1.00 0.00 H new ATOM 0 HA ALA A 44 5.525 1.610 -1.202 1.00 0.00 H new ATOM 0 HB1 ALA A 44 7.877 0.953 -1.370 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.707 2.721 -1.254 1.00 0.00 H new ATOM 0 HB3 ALA A 44 8.227 1.782 0.165 1.00 0.00 H new ATOM 641 N GLN A 45 6.192 0.285 1.717 1.00 0.00 N ATOM 642 CA GLN A 45 6.009 -0.905 2.530 1.00 0.00 C ATOM 643 C GLN A 45 4.518 -1.173 2.751 1.00 0.00 C ATOM 644 O GLN A 45 4.049 -2.293 2.554 1.00 0.00 O ATOM 645 CB GLN A 45 6.746 -0.777 3.864 1.00 0.00 C ATOM 646 CG GLN A 45 8.129 -1.428 3.790 1.00 0.00 C ATOM 647 CD GLN A 45 9.038 -0.912 4.908 1.00 0.00 C ATOM 648 OE1 GLN A 45 9.337 0.267 5.006 1.00 0.00 O ATOM 649 NE2 GLN A 45 9.458 -1.858 5.743 1.00 0.00 N ATOM 0 H GLN A 45 6.570 1.090 2.218 1.00 0.00 H new ATOM 0 HA GLN A 45 6.436 -1.754 1.997 1.00 0.00 H new ATOM 0 HB2 GLN A 45 6.849 0.276 4.127 1.00 0.00 H new ATOM 0 HB3 GLN A 45 6.160 -1.247 4.654 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.030 -2.511 3.867 1.00 0.00 H new ATOM 0 HG3 GLN A 45 8.583 -1.218 2.821 1.00 0.00 H new ATOM 0 HE21 GLN A 45 9.170 -2.826 5.603 1.00 0.00 H new ATOM 0 HE22 GLN A 45 10.069 -1.615 6.523 1.00 0.00 H new ATOM 658 N GLN A 46 3.816 -0.125 3.157 1.00 0.00 N ATOM 659 CA GLN A 46 2.388 -0.233 3.407 1.00 0.00 C ATOM 660 C GLN A 46 1.658 -0.664 2.133 1.00 0.00 C ATOM 661 O GLN A 46 0.765 -1.508 2.181 1.00 0.00 O ATOM 662 CB GLN A 46 1.825 1.084 3.943 1.00 0.00 C ATOM 663 CG GLN A 46 2.588 1.540 5.189 1.00 0.00 C ATOM 664 CD GLN A 46 2.473 0.506 6.311 1.00 0.00 C ATOM 665 OE1 GLN A 46 3.453 0.074 6.896 1.00 0.00 O ATOM 666 NE2 GLN A 46 1.224 0.134 6.578 1.00 0.00 N ATOM 0 H GLN A 46 4.209 0.802 3.319 1.00 0.00 H new ATOM 0 HA GLN A 46 2.228 -0.995 4.170 1.00 0.00 H new ATOM 0 HB2 GLN A 46 1.889 1.852 3.172 1.00 0.00 H new ATOM 0 HB3 GLN A 46 0.769 0.961 4.184 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.638 1.697 4.940 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.195 2.498 5.530 1.00 0.00 H new ATOM 0 HE21 GLN A 46 0.449 0.535 6.050 1.00 0.00 H new ATOM 0 HE22 GLN A 46 1.042 -0.552 7.310 1.00 0.00 H new ATOM 675 N ARG A 47 2.064 -0.063 1.024 1.00 0.00 N ATOM 676 CA ARG A 47 1.459 -0.374 -0.260 1.00 0.00 C ATOM 677 C ARG A 47 1.726 -1.834 -0.633 1.00 0.00 C ATOM 678 O ARG A 47 0.842 -2.520 -1.143 1.00 0.00 O ATOM 679 CB ARG A 47 2.006 0.536 -1.361 1.00 0.00 C ATOM 680 CG ARG A 47 0.957 1.560 -1.798 1.00 0.00 C ATOM 681 CD ARG A 47 1.195 2.007 -3.242 1.00 0.00 C ATOM 682 NE ARG A 47 2.514 2.667 -3.358 1.00 0.00 N ATOM 683 CZ ARG A 47 2.730 3.964 -3.103 1.00 0.00 C ATOM 684 NH1 ARG A 47 1.714 4.749 -2.717 1.00 0.00 N ATOM 685 NH2 ARG A 47 3.961 4.478 -3.235 1.00 0.00 N ATOM 0 H ARG A 47 2.804 0.638 0.988 1.00 0.00 H new ATOM 0 HA ARG A 47 0.385 -0.210 -0.170 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.896 1.053 -1.002 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.311 -0.066 -2.217 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.039 1.127 -1.707 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.990 2.425 -1.136 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.150 1.146 -3.910 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.407 2.693 -3.553 1.00 0.00 H new ATOM 0 HE ARG A 47 3.309 2.099 -3.651 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.777 4.358 -2.618 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.878 5.737 -2.523 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.734 3.881 -3.530 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.125 5.466 -3.041 1.00 0.00 H new ATOM 699 N ALA A 48 2.950 -2.265 -0.365 1.00 0.00 N ATOM 700 CA ALA A 48 3.345 -3.630 -0.666 1.00 0.00 C ATOM 701 C ALA A 48 2.675 -4.582 0.327 1.00 0.00 C ATOM 702 O ALA A 48 2.067 -5.574 -0.072 1.00 0.00 O ATOM 703 CB ALA A 48 4.871 -3.739 -0.638 1.00 0.00 C ATOM 0 H ALA A 48 3.681 -1.693 0.057 1.00 0.00 H new ATOM 0 HA ALA A 48 3.016 -3.912 -1.666 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.167 -4.763 -0.864 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.298 -3.066 -1.382 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.237 -3.465 0.352 1.00 0.00 H new ATOM 709 N VAL A 49 2.807 -4.245 1.601 1.00 0.00 N ATOM 710 CA VAL A 49 2.222 -5.057 2.655 1.00 0.00 C ATOM 711 C VAL A 49 0.803 -5.463 2.251 1.00 0.00 C ATOM 712 O VAL A 49 0.518 -6.646 2.077 1.00 0.00 O ATOM 713 CB VAL A 49 2.273 -4.304 3.986 1.00 0.00 C ATOM 714 CG1 VAL A 49 1.171 -4.787 4.931 1.00 0.00 C ATOM 715 CG2 VAL A 49 3.651 -4.435 4.637 1.00 0.00 C ATOM 0 H VAL A 49 3.311 -3.420 1.928 1.00 0.00 H new ATOM 0 HA VAL A 49 2.795 -5.973 2.794 1.00 0.00 H new ATOM 0 HB VAL A 49 2.099 -3.248 3.781 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.229 -4.236 5.870 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.197 -4.618 4.471 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.300 -5.852 5.127 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.660 -3.891 5.581 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.867 -5.487 4.822 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.409 -4.020 3.972 1.00 0.00 H new ATOM 725 N ALA A 50 -0.049 -4.457 2.114 1.00 0.00 N ATOM 726 CA ALA A 50 -1.432 -4.694 1.735 1.00 0.00 C ATOM 727 C ALA A 50 -1.472 -5.663 0.551 1.00 0.00 C ATOM 728 O ALA A 50 -2.209 -6.647 0.574 1.00 0.00 O ATOM 729 CB ALA A 50 -2.111 -3.360 1.420 1.00 0.00 C ATOM 0 H ALA A 50 0.192 -3.476 2.259 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.982 -5.153 2.556 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.148 -3.538 1.136 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.081 -2.719 2.301 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.588 -2.871 0.598 1.00 0.00 H new ATOM 735 N ILE A 51 -0.670 -5.349 -0.457 1.00 0.00 N ATOM 736 CA ILE A 51 -0.605 -6.179 -1.647 1.00 0.00 C ATOM 737 C ILE A 51 -0.251 -7.612 -1.246 1.00 0.00 C ATOM 738 O ILE A 51 -1.043 -8.532 -1.449 1.00 0.00 O ATOM 739 CB ILE A 51 0.356 -5.572 -2.672 1.00 0.00 C ATOM 740 CG1 ILE A 51 -0.246 -4.321 -3.314 1.00 0.00 C ATOM 741 CG2 ILE A 51 0.769 -6.610 -3.717 1.00 0.00 C ATOM 742 CD1 ILE A 51 0.851 -3.373 -3.802 1.00 0.00 C ATOM 0 H ILE A 51 -0.060 -4.531 -0.473 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.577 -6.216 -2.139 1.00 0.00 H new ATOM 0 HB ILE A 51 1.261 -5.262 -2.150 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.882 -4.608 -4.151 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.881 -3.807 -2.592 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.452 -6.153 -4.433 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.266 -7.445 -3.224 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.116 -6.972 -4.240 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.396 -2.492 -4.254 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.471 -3.069 -2.959 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.469 -3.882 -4.542 1.00 0.00 H new ATOM 754 N ASN A 52 0.940 -7.758 -0.683 1.00 0.00 N ATOM 755 CA ASN A 52 1.408 -9.064 -0.251 1.00 0.00 C ATOM 756 C ASN A 52 0.302 -9.762 0.543 1.00 0.00 C ATOM 757 O ASN A 52 -0.039 -10.909 0.262 1.00 0.00 O ATOM 758 CB ASN A 52 2.633 -8.937 0.657 1.00 0.00 C ATOM 759 CG ASN A 52 3.682 -9.997 0.314 1.00 0.00 C ATOM 760 OD1 ASN A 52 3.384 -11.164 0.123 1.00 0.00 O ATOM 761 ND2 ASN A 52 4.924 -9.526 0.246 1.00 0.00 N ATOM 0 H ASN A 52 1.594 -6.994 -0.516 1.00 0.00 H new ATOM 0 HA ASN A 52 1.674 -9.637 -1.139 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.067 -7.943 0.551 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.331 -9.043 1.699 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.696 -10.154 0.023 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.104 -8.537 0.417 1.00 0.00 H new ATOM 768 N ARG A 53 -0.228 -9.039 1.519 1.00 0.00 N ATOM 769 CA ARG A 53 -1.289 -9.574 2.355 1.00 0.00 C ATOM 770 C ARG A 53 -2.419 -10.130 1.487 1.00 0.00 C ATOM 771 O ARG A 53 -2.738 -11.316 1.563 1.00 0.00 O ATOM 772 CB ARG A 53 -1.852 -8.498 3.286 1.00 0.00 C ATOM 773 CG ARG A 53 -1.309 -8.663 4.706 1.00 0.00 C ATOM 774 CD ARG A 53 -0.617 -7.383 5.181 1.00 0.00 C ATOM 775 NE ARG A 53 -1.406 -6.754 6.264 1.00 0.00 N ATOM 776 CZ ARG A 53 -1.357 -7.135 7.548 1.00 0.00 C ATOM 777 NH1 ARG A 53 -0.558 -8.145 7.917 1.00 0.00 N ATOM 778 NH2 ARG A 53 -2.108 -6.506 8.462 1.00 0.00 N ATOM 0 H ARG A 53 0.058 -8.087 1.749 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.863 -10.375 2.960 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.591 -7.510 2.906 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.940 -8.557 3.300 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.125 -8.913 5.384 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -0.604 -9.494 4.735 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.387 -7.613 5.538 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.508 -6.688 4.348 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.026 -5.982 6.018 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.013 -8.624 7.221 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.521 -8.435 8.894 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.717 -5.738 8.181 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.071 -6.796 9.439 1.00 0.00 H new ATOM 792 N LEU A 54 -2.994 -9.248 0.683 1.00 0.00 N ATOM 793 CA LEU A 54 -4.082 -9.637 -0.198 1.00 0.00 C ATOM 794 C LEU A 54 -3.624 -10.794 -1.088 1.00 0.00 C ATOM 795 O LEU A 54 -4.347 -11.774 -1.259 1.00 0.00 O ATOM 796 CB LEU A 54 -4.597 -8.426 -0.980 1.00 0.00 C ATOM 797 CG LEU A 54 -5.198 -7.295 -0.144 1.00 0.00 C ATOM 798 CD1 LEU A 54 -5.909 -6.273 -1.035 1.00 0.00 C ATOM 799 CD2 LEU A 54 -6.122 -7.847 0.943 1.00 0.00 C ATOM 0 H LEU A 54 -2.727 -8.265 0.623 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.931 -9.998 0.382 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.773 -8.020 -1.566 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.352 -8.769 -1.687 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.384 -6.774 0.360 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.327 -5.479 -0.416 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.195 -5.846 -1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.711 -6.765 -1.585 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.536 -7.022 1.523 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.934 -8.408 0.480 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.556 -8.505 1.602 1.00 0.00 H new ATOM 811 N LEU A 55 -2.425 -10.642 -1.631 1.00 0.00 N ATOM 812 CA LEU A 55 -1.861 -11.662 -2.498 1.00 0.00 C ATOM 813 C LEU A 55 -1.993 -13.029 -1.824 1.00 0.00 C ATOM 814 O LEU A 55 -2.354 -14.012 -2.470 1.00 0.00 O ATOM 815 CB LEU A 55 -0.425 -11.303 -2.885 1.00 0.00 C ATOM 816 CG LEU A 55 -0.267 -10.167 -3.898 1.00 0.00 C ATOM 817 CD1 LEU A 55 1.208 -9.818 -4.104 1.00 0.00 C ATOM 818 CD2 LEU A 55 -0.965 -10.508 -5.217 1.00 0.00 C ATOM 0 H LEU A 55 -1.828 -9.827 -1.487 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.415 -11.714 -3.435 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.118 -11.033 -1.979 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.054 -12.194 -3.290 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.755 -9.279 -3.495 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.292 -9.008 -4.828 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.643 -9.503 -3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.741 -10.694 -4.475 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.838 -9.684 -5.920 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.527 -11.414 -5.637 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.028 -10.669 -5.035 1.00 0.00 H new ATOM 830 N SER A 56 -1.693 -13.048 -0.534 1.00 0.00 N ATOM 831 CA SER A 56 -1.774 -14.278 0.235 1.00 0.00 C ATOM 832 C SER A 56 -3.229 -14.568 0.608 1.00 0.00 C ATOM 833 O SER A 56 -3.774 -15.606 0.236 1.00 0.00 O ATOM 834 CB SER A 56 -0.909 -14.198 1.495 1.00 0.00 C ATOM 835 OG SER A 56 -0.990 -15.388 2.275 1.00 0.00 O ATOM 0 H SER A 56 -1.393 -12.231 -0.002 1.00 0.00 H new ATOM 0 HA SER A 56 -1.395 -15.092 -0.382 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.128 -14.020 1.212 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.225 -13.347 2.098 1.00 0.00 H new ATOM 0 HG SER A 56 -0.423 -15.298 3.069 1.00 0.00 H new ATOM 841 N MET A 57 -3.817 -13.632 1.339 1.00 0.00 N ATOM 842 CA MET A 57 -5.199 -13.774 1.766 1.00 0.00 C ATOM 843 C MET A 57 -6.055 -14.388 0.657 1.00 0.00 C ATOM 844 O MET A 57 -7.038 -15.073 0.934 1.00 0.00 O ATOM 845 CB MET A 57 -5.760 -12.402 2.145 1.00 0.00 C ATOM 846 CG MET A 57 -5.042 -11.836 3.372 1.00 0.00 C ATOM 847 SD MET A 57 -6.237 -11.288 4.579 1.00 0.00 S ATOM 848 CE MET A 57 -5.869 -9.542 4.610 1.00 0.00 C ATOM 0 H MET A 57 -3.362 -12.773 1.646 1.00 0.00 H new ATOM 0 HA MET A 57 -5.227 -14.438 2.630 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.649 -11.715 1.306 1.00 0.00 H new ATOM 0 HB3 MET A 57 -6.827 -12.486 2.350 1.00 0.00 H new ATOM 0 HG2 MET A 57 -4.395 -12.597 3.808 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.402 -11.004 3.078 1.00 0.00 H new ATOM 0 HE1 MET A 57 -6.282 -9.099 5.516 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.789 -9.398 4.596 1.00 0.00 H new ATOM 0 HE3 MET A 57 -6.311 -9.061 3.737 1.00 0.00 H new ATOM 858 N GLY A 58 -5.651 -14.120 -0.576 1.00 0.00 N ATOM 859 CA GLY A 58 -6.369 -14.637 -1.728 1.00 0.00 C ATOM 860 C GLY A 58 -7.433 -13.645 -2.202 1.00 0.00 C ATOM 861 O GLY A 58 -8.374 -14.024 -2.897 1.00 0.00 O ATOM 0 H GLY A 58 -4.835 -13.551 -0.802 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.668 -14.838 -2.538 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.840 -15.586 -1.471 1.00 0.00 H new ATOM 865 N GLN A 59 -7.248 -12.394 -1.806 1.00 0.00 N ATOM 866 CA GLN A 59 -8.180 -11.345 -2.181 1.00 0.00 C ATOM 867 C GLN A 59 -7.678 -10.609 -3.425 1.00 0.00 C ATOM 868 O GLN A 59 -8.472 -10.068 -4.193 1.00 0.00 O ATOM 869 CB GLN A 59 -8.407 -10.372 -1.022 1.00 0.00 C ATOM 870 CG GLN A 59 -9.116 -11.064 0.144 1.00 0.00 C ATOM 871 CD GLN A 59 -10.494 -10.447 0.391 1.00 0.00 C ATOM 872 OE1 GLN A 59 -11.435 -10.646 -0.359 1.00 0.00 O ATOM 873 NE2 GLN A 59 -10.559 -9.689 1.482 1.00 0.00 N ATOM 0 H GLN A 59 -6.466 -12.084 -1.229 1.00 0.00 H new ATOM 0 HA GLN A 59 -9.139 -11.806 -2.418 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -7.450 -9.973 -0.685 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -9.003 -9.526 -1.364 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -9.223 -12.127 -0.070 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.509 -10.980 1.045 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -9.732 -9.564 2.066 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.435 -9.232 1.734 1.00 0.00 H new ATOM 882 N LEU A 60 -6.363 -10.612 -3.585 1.00 0.00 N ATOM 883 CA LEU A 60 -5.746 -9.952 -4.722 1.00 0.00 C ATOM 884 C LEU A 60 -5.013 -10.990 -5.574 1.00 0.00 C ATOM 885 O LEU A 60 -4.478 -11.964 -5.047 1.00 0.00 O ATOM 886 CB LEU A 60 -4.854 -8.800 -4.254 1.00 0.00 C ATOM 887 CG LEU A 60 -4.048 -8.090 -5.343 1.00 0.00 C ATOM 888 CD1 LEU A 60 -4.957 -7.622 -6.481 1.00 0.00 C ATOM 889 CD2 LEU A 60 -3.226 -6.941 -4.756 1.00 0.00 C ATOM 0 H LEU A 60 -5.708 -11.061 -2.946 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.507 -9.498 -5.357 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.481 -8.062 -3.754 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.159 -9.185 -3.508 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.344 -8.805 -5.767 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.359 -7.120 -7.242 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.459 -8.483 -6.923 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.702 -6.929 -6.090 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.663 -6.453 -5.551 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.894 -6.218 -4.288 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.535 -7.332 -4.009 1.00 0.00 H new ATOM 901 N ASP A 61 -5.013 -10.746 -6.877 1.00 0.00 N ATOM 902 CA ASP A 61 -4.355 -11.648 -7.806 1.00 0.00 C ATOM 903 C ASP A 61 -3.244 -10.895 -8.542 1.00 0.00 C ATOM 904 O ASP A 61 -3.487 -9.839 -9.124 1.00 0.00 O ATOM 905 CB ASP A 61 -5.339 -12.177 -8.851 1.00 0.00 C ATOM 906 CG ASP A 61 -5.523 -13.696 -8.856 1.00 0.00 C ATOM 907 OD1 ASP A 61 -4.888 -14.347 -7.999 1.00 0.00 O ATOM 908 OD2 ASP A 61 -6.296 -14.171 -9.716 1.00 0.00 O ATOM 0 H ASP A 61 -5.458 -9.937 -7.310 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.951 -12.484 -7.235 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.309 -11.709 -8.684 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.000 -11.864 -9.839 1.00 0.00 H new ATOM 913 N LEU A 62 -2.051 -11.467 -8.491 1.00 0.00 N ATOM 914 CA LEU A 62 -0.903 -10.863 -9.145 1.00 0.00 C ATOM 915 C LEU A 62 -0.814 -11.374 -10.584 1.00 0.00 C ATOM 916 O LEU A 62 -1.118 -12.534 -10.855 1.00 0.00 O ATOM 917 CB LEU A 62 0.368 -11.104 -8.328 1.00 0.00 C ATOM 918 CG LEU A 62 1.281 -9.891 -8.133 1.00 0.00 C ATOM 919 CD1 LEU A 62 2.563 -10.283 -7.395 1.00 0.00 C ATOM 920 CD2 LEU A 62 1.575 -9.207 -9.470 1.00 0.00 C ATOM 0 H LEU A 62 -1.854 -12.343 -8.007 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.021 -9.781 -9.197 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.079 -11.478 -7.346 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.943 -11.893 -8.813 1.00 0.00 H new ATOM 0 HG LEU A 62 0.759 -9.166 -7.508 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.194 -9.403 -7.269 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.309 -10.690 -6.416 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.100 -11.035 -7.973 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.226 -8.348 -9.304 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.068 -9.912 -10.139 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.641 -8.873 -9.921 1.00 0.00 H new ATOM 932 N LEU A 63 -0.395 -10.482 -11.470 1.00 0.00 N ATOM 933 CA LEU A 63 -0.263 -10.828 -12.875 1.00 0.00 C ATOM 934 C LEU A 63 0.979 -10.143 -13.449 1.00 0.00 C ATOM 935 O LEU A 63 0.987 -8.930 -13.649 1.00 0.00 O ATOM 936 CB LEU A 63 -1.551 -10.499 -13.632 1.00 0.00 C ATOM 937 CG LEU A 63 -2.315 -11.693 -14.207 1.00 0.00 C ATOM 938 CD1 LEU A 63 -3.826 -11.471 -14.119 1.00 0.00 C ATOM 939 CD2 LEU A 63 -1.863 -11.997 -15.636 1.00 0.00 C ATOM 0 H LEU A 63 -0.143 -9.520 -11.242 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.119 -11.902 -12.991 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.216 -9.957 -12.959 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.305 -9.822 -14.450 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.083 -12.570 -13.603 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.345 -12.335 -14.534 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.115 -11.341 -13.076 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.096 -10.579 -14.684 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.422 -12.850 -16.021 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.046 -11.128 -16.268 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.798 -12.230 -15.639 1.00 0.00 H new ATOM 951 N ARG A 64 1.999 -10.952 -13.699 1.00 0.00 N ATOM 952 CA ARG A 64 3.244 -10.439 -14.246 1.00 0.00 C ATOM 953 C ARG A 64 3.107 -10.209 -15.752 1.00 0.00 C ATOM 954 O ARG A 64 3.075 -11.162 -16.529 1.00 0.00 O ATOM 955 CB ARG A 64 4.399 -11.409 -13.988 1.00 0.00 C ATOM 956 CG ARG A 64 4.652 -11.574 -12.488 1.00 0.00 C ATOM 957 CD ARG A 64 6.103 -11.978 -12.218 1.00 0.00 C ATOM 958 NE ARG A 64 6.675 -11.127 -11.152 1.00 0.00 N ATOM 959 CZ ARG A 64 7.916 -11.265 -10.665 1.00 0.00 C ATOM 960 NH1 ARG A 64 8.722 -12.221 -11.146 1.00 0.00 N ATOM 961 NH2 ARG A 64 8.351 -10.446 -9.697 1.00 0.00 N ATOM 0 H ARG A 64 1.989 -11.958 -13.533 1.00 0.00 H new ATOM 0 HA ARG A 64 3.460 -9.493 -13.749 1.00 0.00 H new ATOM 0 HB2 ARG A 64 4.170 -12.378 -14.431 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.303 -11.042 -14.475 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.429 -10.640 -11.973 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.979 -12.330 -12.083 1.00 0.00 H new ATOM 0 HD2 ARG A 64 6.148 -13.026 -11.922 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.692 -11.879 -13.129 1.00 0.00 H new ATOM 0 HE ARG A 64 6.088 -10.389 -10.763 1.00 0.00 H new ATOM 0 HH11 ARG A 64 8.391 -12.844 -11.883 1.00 0.00 H new ATOM 0 HH12 ARG A 64 9.666 -12.326 -10.775 1.00 0.00 H new ATOM 0 HH21 ARG A 64 7.738 -9.718 -9.331 1.00 0.00 H new ATOM 0 HH22 ARG A 64 9.295 -10.551 -9.326 1.00 0.00 H new ATOM 975 N SER A 65 3.028 -8.939 -16.120 1.00 0.00 N ATOM 976 CA SER A 65 2.895 -8.571 -17.519 1.00 0.00 C ATOM 977 C SER A 65 4.205 -7.966 -18.029 1.00 0.00 C ATOM 978 O SER A 65 5.142 -7.768 -17.257 1.00 0.00 O ATOM 979 CB SER A 65 1.741 -7.588 -17.723 1.00 0.00 C ATOM 980 OG SER A 65 1.490 -7.338 -19.103 1.00 0.00 O ATOM 0 H SER A 65 3.054 -8.151 -15.473 1.00 0.00 H new ATOM 0 HA SER A 65 2.673 -9.473 -18.090 1.00 0.00 H new ATOM 0 HB2 SER A 65 0.839 -7.986 -17.257 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.972 -6.649 -17.221 1.00 0.00 H new ATOM 0 HG SER A 65 0.745 -6.707 -19.191 1.00 0.00 H new ATOM 986 N ASN A 66 4.227 -7.690 -19.324 1.00 0.00 N ATOM 987 CA ASN A 66 5.407 -7.112 -19.946 1.00 0.00 C ATOM 988 C ASN A 66 5.938 -5.979 -19.065 1.00 0.00 C ATOM 989 O ASN A 66 7.113 -5.970 -18.701 1.00 0.00 O ATOM 990 CB ASN A 66 5.074 -6.526 -21.319 1.00 0.00 C ATOM 991 CG ASN A 66 5.024 -7.622 -22.385 1.00 0.00 C ATOM 992 OD1 ASN A 66 4.588 -8.737 -22.146 1.00 0.00 O ATOM 993 ND2 ASN A 66 5.493 -7.246 -23.571 1.00 0.00 N ATOM 0 H ASN A 66 3.447 -7.856 -19.960 1.00 0.00 H new ATOM 0 HA ASN A 66 6.149 -7.902 -20.061 1.00 0.00 H new ATOM 0 HB2 ASN A 66 4.114 -6.012 -21.276 1.00 0.00 H new ATOM 0 HB3 ASN A 66 5.822 -5.782 -21.592 1.00 0.00 H new ATOM 0 HD21 ASN A 66 5.502 -7.906 -24.348 1.00 0.00 H new ATOM 0 HD22 ASN A 66 5.843 -6.297 -23.703 1.00 0.00 H new ATOM 1000 N THR A 67 5.047 -5.051 -18.748 1.00 0.00 N ATOM 1001 CA THR A 67 5.412 -3.916 -17.917 1.00 0.00 C ATOM 1002 C THR A 67 5.075 -4.199 -16.451 1.00 0.00 C ATOM 1003 O THR A 67 3.908 -4.368 -16.100 1.00 0.00 O ATOM 1004 CB THR A 67 4.709 -2.677 -18.474 1.00 0.00 C ATOM 1005 OG1 THR A 67 5.273 -1.597 -17.735 1.00 0.00 O ATOM 1006 CG2 THR A 67 3.222 -2.636 -18.116 1.00 0.00 C ATOM 0 H THR A 67 4.073 -5.062 -19.052 1.00 0.00 H new ATOM 0 HA THR A 67 6.487 -3.736 -17.942 1.00 0.00 H new ATOM 0 HB THR A 67 4.822 -2.652 -19.558 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.874 -0.753 -18.033 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.771 -1.737 -18.536 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.725 -3.516 -18.525 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.109 -2.627 -17.032 1.00 0.00 H new ATOM 1014 N GLY A 68 6.118 -4.241 -15.635 1.00 0.00 N ATOM 1015 CA GLY A 68 5.947 -4.500 -14.215 1.00 0.00 C ATOM 1016 C GLY A 68 4.925 -5.614 -13.980 1.00 0.00 C ATOM 1017 O GLY A 68 4.731 -6.474 -14.838 1.00 0.00 O ATOM 0 H GLY A 68 7.084 -4.100 -15.930 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.904 -4.781 -13.775 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.620 -3.590 -13.712 1.00 0.00 H new ATOM 1021 N LEU A 69 4.298 -5.562 -12.814 1.00 0.00 N ATOM 1022 CA LEU A 69 3.301 -6.556 -12.455 1.00 0.00 C ATOM 1023 C LEU A 69 1.920 -5.899 -12.427 1.00 0.00 C ATOM 1024 O LEU A 69 1.811 -4.674 -12.413 1.00 0.00 O ATOM 1025 CB LEU A 69 3.680 -7.247 -11.144 1.00 0.00 C ATOM 1026 CG LEU A 69 5.156 -7.168 -10.747 1.00 0.00 C ATOM 1027 CD1 LEU A 69 5.404 -7.881 -9.416 1.00 0.00 C ATOM 1028 CD2 LEU A 69 6.054 -7.706 -11.862 1.00 0.00 C ATOM 0 H LEU A 69 4.461 -4.847 -12.105 1.00 0.00 H new ATOM 0 HA LEU A 69 3.264 -7.346 -13.205 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.084 -6.812 -10.341 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.399 -8.298 -11.216 1.00 0.00 H new ATOM 0 HG LEU A 69 5.416 -6.119 -10.604 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.460 -7.810 -9.157 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.806 -7.411 -8.635 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.122 -8.930 -9.507 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.097 -7.638 -11.554 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.802 -8.747 -12.062 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.904 -7.116 -12.766 1.00 0.00 H new ATOM 1040 N LEU A 70 0.898 -6.743 -12.419 1.00 0.00 N ATOM 1041 CA LEU A 70 -0.472 -6.259 -12.393 1.00 0.00 C ATOM 1042 C LEU A 70 -1.225 -6.936 -11.246 1.00 0.00 C ATOM 1043 O LEU A 70 -0.920 -8.071 -10.882 1.00 0.00 O ATOM 1044 CB LEU A 70 -1.133 -6.449 -13.759 1.00 0.00 C ATOM 1045 CG LEU A 70 -2.663 -6.443 -13.770 1.00 0.00 C ATOM 1046 CD1 LEU A 70 -3.200 -5.859 -15.079 1.00 0.00 C ATOM 1047 CD2 LEU A 70 -3.219 -7.841 -13.495 1.00 0.00 C ATOM 0 H LEU A 70 0.991 -7.759 -12.430 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.494 -5.186 -12.201 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.781 -5.660 -14.424 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.790 -7.395 -14.178 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.008 -5.796 -12.964 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.290 -5.866 -15.061 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.846 -4.834 -15.193 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.847 -6.460 -15.917 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.308 -7.808 -13.508 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.867 -8.530 -14.263 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.878 -8.182 -12.517 1.00 0.00 H new ATOM 1059 N TYR A 71 -2.194 -6.211 -10.707 1.00 0.00 N ATOM 1060 CA TYR A 71 -2.993 -6.727 -9.609 1.00 0.00 C ATOM 1061 C TYR A 71 -4.488 -6.591 -9.907 1.00 0.00 C ATOM 1062 O TYR A 71 -4.978 -5.489 -10.148 1.00 0.00 O ATOM 1063 CB TYR A 71 -2.647 -5.864 -8.394 1.00 0.00 C ATOM 1064 CG TYR A 71 -1.150 -5.595 -8.228 1.00 0.00 C ATOM 1065 CD1 TYR A 71 -0.258 -6.647 -8.203 1.00 0.00 C ATOM 1066 CD2 TYR A 71 -0.692 -4.299 -8.103 1.00 0.00 C ATOM 1067 CE1 TYR A 71 1.151 -6.394 -8.047 1.00 0.00 C ATOM 1068 CE2 TYR A 71 0.717 -4.045 -7.946 1.00 0.00 C ATOM 1069 CZ TYR A 71 1.569 -5.105 -7.926 1.00 0.00 C ATOM 1070 OH TYR A 71 2.900 -4.866 -7.779 1.00 0.00 O ATOM 0 H TYR A 71 -2.444 -5.270 -11.011 1.00 0.00 H new ATOM 0 HA TYR A 71 -2.783 -7.784 -9.445 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -3.170 -4.911 -8.477 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -3.019 -6.355 -7.495 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.617 -7.661 -8.300 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -1.390 -3.475 -8.123 1.00 0.00 H new ATOM 0 HE1 TYR A 71 1.860 -7.209 -8.027 1.00 0.00 H new ATOM 0 HE2 TYR A 71 1.089 -3.036 -7.846 1.00 0.00 H new ATOM 0 HH TYR A 71 3.053 -3.901 -7.706 1.00 0.00 H new ATOM 1080 N ARG A 72 -5.169 -7.727 -9.880 1.00 0.00 N ATOM 1081 CA ARG A 72 -6.598 -7.748 -10.144 1.00 0.00 C ATOM 1082 C ARG A 72 -7.324 -8.563 -9.071 1.00 0.00 C ATOM 1083 O ARG A 72 -6.693 -9.103 -8.164 1.00 0.00 O ATOM 1084 CB ARG A 72 -6.895 -8.350 -11.519 1.00 0.00 C ATOM 1085 CG ARG A 72 -7.184 -9.848 -11.411 1.00 0.00 C ATOM 1086 CD ARG A 72 -7.087 -10.525 -12.780 1.00 0.00 C ATOM 1087 NE ARG A 72 -7.701 -11.870 -12.724 1.00 0.00 N ATOM 1088 CZ ARG A 72 -7.425 -12.859 -13.586 1.00 0.00 C ATOM 1089 NH1 ARG A 72 -6.542 -12.659 -14.574 1.00 0.00 N ATOM 1090 NH2 ARG A 72 -8.031 -14.047 -13.458 1.00 0.00 N ATOM 0 H ARG A 72 -4.758 -8.639 -9.680 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.954 -6.718 -10.126 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.750 -7.842 -11.965 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.046 -8.187 -12.182 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.477 -10.310 -10.722 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.180 -10.001 -10.995 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -7.591 -9.917 -13.532 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.043 -10.605 -13.082 1.00 0.00 H new ATOM 0 HE ARG A 72 -8.377 -12.056 -11.983 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.080 -11.755 -14.670 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.332 -13.411 -15.230 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -8.702 -14.199 -12.705 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.821 -14.800 -14.114 1.00 0.00 H new ATOM 1104 N ILE A 73 -8.640 -8.626 -9.211 1.00 0.00 N ATOM 1105 CA ILE A 73 -9.458 -9.365 -8.265 1.00 0.00 C ATOM 1106 C ILE A 73 -9.233 -10.865 -8.466 1.00 0.00 C ATOM 1107 O ILE A 73 -9.333 -11.367 -9.585 1.00 0.00 O ATOM 1108 CB ILE A 73 -10.924 -8.943 -8.380 1.00 0.00 C ATOM 1109 CG1 ILE A 73 -11.336 -8.063 -7.198 1.00 0.00 C ATOM 1110 CG2 ILE A 73 -11.836 -10.162 -8.532 1.00 0.00 C ATOM 1111 CD1 ILE A 73 -11.016 -8.747 -5.867 1.00 0.00 C ATOM 0 H ILE A 73 -9.160 -8.177 -9.965 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.162 -9.132 -7.242 1.00 0.00 H new ATOM 0 HB ILE A 73 -11.036 -8.343 -9.283 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -10.816 -7.107 -7.254 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -12.403 -7.849 -7.254 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -12.872 -9.833 -8.612 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -11.560 -10.713 -9.431 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -11.726 -10.809 -7.662 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -11.319 -8.100 -5.044 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -11.556 -9.692 -5.804 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -9.945 -8.937 -5.804 1.00 0.00 H new ATOM 1123 N LYS A 74 -8.933 -11.539 -7.365 1.00 0.00 N ATOM 1124 CA LYS A 74 -8.693 -12.971 -7.407 1.00 0.00 C ATOM 1125 C LYS A 74 -9.957 -13.682 -7.893 1.00 0.00 C ATOM 1126 O LYS A 74 -11.039 -13.476 -7.346 1.00 0.00 O ATOM 1127 CB LYS A 74 -8.190 -13.470 -6.050 1.00 0.00 C ATOM 1128 CG LYS A 74 -7.367 -14.750 -6.207 1.00 0.00 C ATOM 1129 CD LYS A 74 -6.204 -14.779 -5.214 1.00 0.00 C ATOM 1130 CE LYS A 74 -5.871 -16.214 -4.801 1.00 0.00 C ATOM 1131 NZ LYS A 74 -4.437 -16.499 -5.031 1.00 0.00 N ATOM 0 H LYS A 74 -8.851 -11.120 -6.439 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.902 -13.204 -8.120 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.582 -12.698 -5.577 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.037 -13.657 -5.390 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.006 -15.619 -6.050 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.983 -14.817 -7.225 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.327 -14.313 -5.662 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.460 -14.193 -4.331 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.113 -16.361 -3.748 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.483 -16.914 -5.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.227 -17.477 -4.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.216 -16.378 -6.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.858 -15.843 -4.469 1.00 0.00 H new ATOM 1145 N ASP A 75 -9.778 -14.505 -8.916 1.00 0.00 N ATOM 1146 CA ASP A 75 -10.891 -15.248 -9.483 1.00 0.00 C ATOM 1147 C ASP A 75 -10.359 -16.500 -10.183 1.00 0.00 C ATOM 1148 O ASP A 75 -9.376 -16.434 -10.918 1.00 0.00 O ATOM 1149 CB ASP A 75 -11.642 -14.409 -10.519 1.00 0.00 C ATOM 1150 CG ASP A 75 -12.982 -14.991 -10.974 1.00 0.00 C ATOM 1151 OD1 ASP A 75 -13.716 -15.484 -10.090 1.00 0.00 O ATOM 1152 OD2 ASP A 75 -13.243 -14.930 -12.195 1.00 0.00 O ATOM 0 H ASP A 75 -8.879 -14.674 -9.367 1.00 0.00 H new ATOM 0 HA ASP A 75 -11.570 -15.511 -8.672 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.816 -13.417 -10.103 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -11.003 -14.281 -11.393 1.00 0.00 H new ATOM 1157 N SER A 76 -11.034 -17.612 -9.929 1.00 0.00 N ATOM 1158 CA SER A 76 -10.641 -18.877 -10.526 1.00 0.00 C ATOM 1159 C SER A 76 -11.836 -19.512 -11.241 1.00 0.00 C ATOM 1160 O SER A 76 -12.737 -20.047 -10.596 1.00 0.00 O ATOM 1161 CB SER A 76 -10.084 -19.835 -9.471 1.00 0.00 C ATOM 1162 OG SER A 76 -8.825 -20.380 -9.855 1.00 0.00 O ATOM 0 H SER A 76 -11.850 -17.663 -9.319 1.00 0.00 H new ATOM 0 HA SER A 76 -9.852 -18.681 -11.253 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.977 -19.307 -8.523 1.00 0.00 H new ATOM 0 HB3 SER A 76 -10.794 -20.645 -9.306 1.00 0.00 H new ATOM 0 HG SER A 76 -8.503 -20.985 -9.154 1.00 0.00 H new ATOM 1168 N GLY A 77 -11.806 -19.431 -12.563 1.00 0.00 N ATOM 1169 CA GLY A 77 -12.875 -19.990 -13.372 1.00 0.00 C ATOM 1170 C GLY A 77 -12.314 -20.872 -14.489 1.00 0.00 C ATOM 1171 O GLY A 77 -12.175 -22.082 -14.318 1.00 0.00 O ATOM 0 H GLY A 77 -11.057 -18.986 -13.094 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -13.544 -20.576 -12.742 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.469 -19.184 -13.804 1.00 0.00 H new ATOM 1175 N PRO A 78 -11.998 -20.215 -15.636 1.00 0.00 N ATOM 1176 CA PRO A 78 -11.454 -20.926 -16.781 1.00 0.00 C ATOM 1177 C PRO A 78 -9.989 -21.298 -16.550 1.00 0.00 C ATOM 1178 O PRO A 78 -9.091 -20.689 -17.130 1.00 0.00 O ATOM 1179 CB PRO A 78 -11.650 -19.985 -17.958 1.00 0.00 C ATOM 1180 CG PRO A 78 -11.867 -18.605 -17.357 1.00 0.00 C ATOM 1181 CD PRO A 78 -12.149 -18.782 -15.874 1.00 0.00 C ATOM 0 HA PRO A 78 -11.954 -21.877 -16.962 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -10.779 -19.993 -18.614 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -12.506 -20.287 -18.561 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -10.986 -17.981 -17.506 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -12.701 -18.102 -17.847 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -11.452 -18.204 -15.267 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -13.152 -18.442 -15.618 1.00 0.00 H new ATOM 1189 N SER A 79 -9.791 -22.297 -15.701 1.00 0.00 N ATOM 1190 CA SER A 79 -8.450 -22.757 -15.386 1.00 0.00 C ATOM 1191 C SER A 79 -8.302 -24.234 -15.759 1.00 0.00 C ATOM 1192 O SER A 79 -9.293 -24.912 -16.026 1.00 0.00 O ATOM 1193 CB SER A 79 -8.130 -22.550 -13.905 1.00 0.00 C ATOM 1194 OG SER A 79 -6.871 -21.909 -13.715 1.00 0.00 O ATOM 0 H SER A 79 -10.538 -22.800 -15.222 1.00 0.00 H new ATOM 0 HA SER A 79 -7.741 -22.168 -15.969 1.00 0.00 H new ATOM 0 HB2 SER A 79 -8.915 -21.950 -13.445 1.00 0.00 H new ATOM 0 HB3 SER A 79 -8.126 -23.514 -13.397 1.00 0.00 H new ATOM 0 HG SER A 79 -6.704 -21.793 -12.756 1.00 0.00 H new ATOM 1200 N SER A 80 -7.058 -24.688 -15.766 1.00 0.00 N ATOM 1201 CA SER A 80 -6.768 -26.072 -16.102 1.00 0.00 C ATOM 1202 C SER A 80 -5.809 -26.671 -15.071 1.00 0.00 C ATOM 1203 O SER A 80 -5.038 -25.947 -14.441 1.00 0.00 O ATOM 1204 CB SER A 80 -6.175 -26.185 -17.507 1.00 0.00 C ATOM 1205 OG SER A 80 -4.841 -25.687 -17.566 1.00 0.00 O ATOM 0 H SER A 80 -6.239 -24.122 -15.544 1.00 0.00 H new ATOM 0 HA SER A 80 -7.704 -26.631 -16.086 1.00 0.00 H new ATOM 0 HB2 SER A 80 -6.187 -27.228 -17.822 1.00 0.00 H new ATOM 0 HB3 SER A 80 -6.799 -25.633 -18.209 1.00 0.00 H new ATOM 0 HG SER A 80 -4.498 -25.779 -18.479 1.00 0.00 H new ATOM 1211 N GLY A 81 -5.887 -27.986 -14.931 1.00 0.00 N ATOM 1212 CA GLY A 81 -5.035 -28.690 -13.988 1.00 0.00 C ATOM 1213 C GLY A 81 -5.868 -29.381 -12.906 1.00 0.00 C ATOM 1214 O GLY A 81 -5.378 -29.633 -11.807 1.00 0.00 O ATOM 0 H GLY A 81 -6.527 -28.583 -15.455 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.434 -29.430 -14.517 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.341 -27.988 -13.525 1.00 0.00 H new TER 1218 GLY A 81