USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 728 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 53 SER OG : rot 180:sc= -0.102 USER MOD Set 1.2: A 65 THR OG1 : rot -160:sc= -0.838 USER MOD Set 2.1: A 37 CYS SG : rot -151:sc= -7.3! USER MOD Set 2.2: A 47 CYS SG : rot -77:sc= -7.02! USER MOD Set 3.1: A 27 GLN : amide:sc= -0.0408 X(o=-0.04,f=0.0012) USER MOD Set 3.2: A 32 TYR OH : rot 15:sc= 0.00125 USER MOD Single : A 1 ALA N :NH3+ 146:sc= 0.0365 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -1.25 USER MOD Single : A 8 THR OG1 : rot -154:sc= -6! USER MOD Single : A 10 SER OG : rot 180:sc= 0.00575 USER MOD Single : A 11 SER OG : rot 31:sc= 1.18 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 94:sc= 1.28 USER MOD Single : A 20 LYS NZ :NH3+ 152:sc= 0.403 (180deg=0.0931) USER MOD Single : A 30 THR OG1 : rot -160:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -16.5! C(o=-16!,f=-10!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -6.14! C(o=-6.1!,f=-22!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0317 X(o=-0.032,f=-0.28) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -13:sc= 0.704! USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 60:sc= -2.6! USER MOD Single : A 72 SER OG : rot -46:sc= 1.03 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.176 USER MOD Single : A 89 THR OG1 : rot 180:sc=0.000675 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -9.89! C(o=-9.9!,f=-8.4!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -4.08! C(o=-4.1!,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.370 12.875 -7.764 1.00 0.00 N ATOM 2 CA ALA A 1 1.716 13.137 -7.297 1.00 0.00 C ATOM 3 C ALA A 1 1.936 12.456 -5.953 1.00 0.00 C ATOM 4 O ALA A 1 1.038 12.428 -5.115 1.00 0.00 O ATOM 5 CB ALA A 1 1.929 14.643 -7.182 1.00 0.00 C ATOM 0 H1 ALA A 1 0.017 13.702 -8.287 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.375 12.045 -8.391 1.00 0.00 H new ATOM 0 H3 ALA A 1 -0.250 12.690 -6.950 1.00 0.00 H new ATOM 0 HA ALA A 1 2.438 12.735 -8.008 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.942 14.841 -6.831 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.786 15.106 -8.158 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.211 15.059 -6.475 1.00 0.00 H new ATOM 11 N ALA A 2 3.136 11.907 -5.750 1.00 0.00 N ATOM 12 CA ALA A 2 3.467 11.229 -4.513 1.00 0.00 C ATOM 13 C ALA A 2 4.836 11.684 -4.027 1.00 0.00 C ATOM 14 O ALA A 2 5.724 11.955 -4.832 1.00 0.00 O ATOM 15 CB ALA A 2 3.447 9.721 -4.739 1.00 0.00 C ATOM 0 H ALA A 2 3.892 11.924 -6.435 1.00 0.00 H new ATOM 0 HA ALA A 2 2.731 11.478 -3.749 1.00 0.00 H new ATOM 0 HB1 ALA A 2 3.696 9.210 -3.809 1.00 0.00 H new ATOM 0 HB2 ALA A 2 2.453 9.415 -5.066 1.00 0.00 H new ATOM 0 HB3 ALA A 2 4.178 9.458 -5.504 1.00 0.00 H new ATOM 21 N PRO A 3 5.004 11.767 -2.705 1.00 0.00 N ATOM 22 CA PRO A 3 6.235 12.178 -2.064 1.00 0.00 C ATOM 23 C PRO A 3 7.274 11.075 -2.198 1.00 0.00 C ATOM 24 O PRO A 3 7.031 10.068 -2.859 1.00 0.00 O ATOM 25 CB PRO A 3 5.858 12.401 -0.601 1.00 0.00 C ATOM 26 CG PRO A 3 4.714 11.410 -0.391 1.00 0.00 C ATOM 27 CD PRO A 3 3.982 11.456 -1.730 1.00 0.00 C ATOM 0 HA PRO A 3 6.666 13.075 -2.508 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.695 12.200 0.068 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.542 13.428 -0.417 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.081 10.409 -0.164 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.067 11.707 0.435 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.503 10.502 -1.951 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.198 12.213 -1.725 1.00 0.00 H new ATOM 35 N THR A 4 8.436 11.266 -1.569 1.00 0.00 N ATOM 36 CA THR A 4 9.502 10.286 -1.625 1.00 0.00 C ATOM 37 C THR A 4 9.517 9.463 -0.345 1.00 0.00 C ATOM 38 O THR A 4 9.868 9.970 0.718 1.00 0.00 O ATOM 39 CB THR A 4 10.837 10.998 -1.826 1.00 0.00 C ATOM 40 OG1 THR A 4 11.672 10.209 -2.642 1.00 0.00 O ATOM 41 CG2 THR A 4 11.506 11.215 -0.472 1.00 0.00 C ATOM 0 H THR A 4 8.655 12.095 -1.016 1.00 0.00 H new ATOM 0 HA THR A 4 9.335 9.611 -2.464 1.00 0.00 H new ATOM 0 HB THR A 4 10.667 11.962 -2.306 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.529 10.667 -2.773 1.00 0.00 H new ATOM 0 HG21 THR A 4 12.460 11.723 -0.615 1.00 0.00 H new ATOM 0 HG22 THR A 4 10.860 11.825 0.159 1.00 0.00 H new ATOM 0 HG23 THR A 4 11.677 10.251 0.008 1.00 0.00 H new ATOM 49 N ALA A 5 9.135 8.188 -0.450 1.00 0.00 N ATOM 50 CA ALA A 5 9.106 7.302 0.696 1.00 0.00 C ATOM 51 C ALA A 5 10.008 6.102 0.443 1.00 0.00 C ATOM 52 O ALA A 5 10.010 5.545 -0.653 1.00 0.00 O ATOM 53 CB ALA A 5 7.670 6.854 0.955 1.00 0.00 C ATOM 0 H ALA A 5 8.842 7.753 -1.325 1.00 0.00 H new ATOM 0 HA ALA A 5 9.473 7.828 1.577 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.647 6.187 1.817 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.047 7.726 1.154 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.289 6.328 0.079 1.00 0.00 H new ATOM 59 N THR A 6 10.776 5.704 1.460 1.00 0.00 N ATOM 60 CA THR A 6 11.674 4.574 1.338 1.00 0.00 C ATOM 61 C THR A 6 11.034 3.335 1.946 1.00 0.00 C ATOM 62 O THR A 6 10.813 3.276 3.154 1.00 0.00 O ATOM 63 CB THR A 6 12.994 4.898 2.034 1.00 0.00 C ATOM 64 OG1 THR A 6 12.744 5.708 3.160 1.00 0.00 O ATOM 65 CG2 THR A 6 13.911 5.640 1.066 1.00 0.00 C ATOM 0 H THR A 6 10.787 6.154 2.375 1.00 0.00 H new ATOM 0 HA THR A 6 11.872 4.375 0.285 1.00 0.00 H new ATOM 0 HB THR A 6 13.475 3.973 2.352 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.590 5.915 3.608 1.00 0.00 H new ATOM 0 HG21 THR A 6 14.853 5.871 1.563 1.00 0.00 H new ATOM 0 HG22 THR A 6 14.104 5.014 0.195 1.00 0.00 H new ATOM 0 HG23 THR A 6 13.432 6.566 0.748 1.00 0.00 H new ATOM 73 N VAL A 7 10.737 2.342 1.105 1.00 0.00 N ATOM 74 CA VAL A 7 10.125 1.110 1.560 1.00 0.00 C ATOM 75 C VAL A 7 11.142 -0.021 1.505 1.00 0.00 C ATOM 76 O VAL A 7 12.079 0.024 0.712 1.00 0.00 O ATOM 77 CB VAL A 7 8.913 0.792 0.689 1.00 0.00 C ATOM 78 CG1 VAL A 7 8.221 2.091 0.287 1.00 0.00 C ATOM 79 CG2 VAL A 7 9.369 0.049 -0.563 1.00 0.00 C ATOM 0 H VAL A 7 10.915 2.376 0.101 1.00 0.00 H new ATOM 0 HA VAL A 7 9.793 1.223 2.592 1.00 0.00 H new ATOM 0 HB VAL A 7 8.216 0.168 1.248 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.355 1.865 -0.335 1.00 0.00 H new ATOM 0 HG12 VAL A 7 7.896 2.622 1.182 1.00 0.00 H new ATOM 0 HG13 VAL A 7 8.917 2.716 -0.273 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.504 -0.179 -1.186 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.065 0.673 -1.123 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.864 -0.879 -0.276 1.00 0.00 H new ATOM 89 N THR A 8 10.954 -1.038 2.349 1.00 0.00 N ATOM 90 CA THR A 8 11.856 -2.172 2.387 1.00 0.00 C ATOM 91 C THR A 8 11.740 -2.969 1.096 1.00 0.00 C ATOM 92 O THR A 8 10.919 -2.653 0.238 1.00 0.00 O ATOM 93 CB THR A 8 11.522 -3.045 3.593 1.00 0.00 C ATOM 94 OG1 THR A 8 12.716 -3.533 4.164 1.00 0.00 O ATOM 95 CG2 THR A 8 10.655 -4.219 3.148 1.00 0.00 C ATOM 0 H THR A 8 10.182 -1.092 3.013 1.00 0.00 H new ATOM 0 HA THR A 8 12.884 -1.821 2.481 1.00 0.00 H new ATOM 0 HB THR A 8 10.980 -2.453 4.331 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.534 -4.373 4.635 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.417 -4.842 4.010 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.732 -3.843 2.706 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.196 -4.812 2.410 1.00 0.00 H new ATOM 103 N PRO A 9 12.568 -4.008 0.959 1.00 0.00 N ATOM 104 CA PRO A 9 12.601 -4.879 -0.196 1.00 0.00 C ATOM 105 C PRO A 9 11.367 -5.771 -0.197 1.00 0.00 C ATOM 106 O PRO A 9 11.173 -6.566 0.719 1.00 0.00 O ATOM 107 CB PRO A 9 13.874 -5.705 -0.027 1.00 0.00 C ATOM 108 CG PRO A 9 14.028 -5.783 1.491 1.00 0.00 C ATOM 109 CD PRO A 9 13.546 -4.408 1.948 1.00 0.00 C ATOM 0 HA PRO A 9 12.600 -4.334 -1.140 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.777 -6.694 -0.475 1.00 0.00 H new ATOM 0 HB3 PRO A 9 14.733 -5.225 -0.497 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.427 -6.586 1.918 1.00 0.00 H new ATOM 0 HG3 PRO A 9 15.061 -5.968 1.784 1.00 0.00 H new ATOM 0 HD2 PRO A 9 13.105 -4.455 2.944 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.371 -3.697 1.998 1.00 0.00 H new ATOM 117 N SER A 10 10.533 -5.636 -1.230 1.00 0.00 N ATOM 118 CA SER A 10 9.325 -6.429 -1.344 1.00 0.00 C ATOM 119 C SER A 10 9.423 -7.350 -2.552 1.00 0.00 C ATOM 120 O SER A 10 8.479 -7.461 -3.330 1.00 0.00 O ATOM 121 CB SER A 10 8.119 -5.502 -1.468 1.00 0.00 C ATOM 122 OG SER A 10 8.480 -4.358 -2.210 1.00 0.00 O ATOM 0 H SER A 10 10.680 -4.981 -1.998 1.00 0.00 H new ATOM 0 HA SER A 10 9.205 -7.044 -0.452 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.296 -6.022 -1.958 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.767 -5.211 -0.478 1.00 0.00 H new ATOM 0 HG SER A 10 7.705 -3.763 -2.291 1.00 0.00 H new ATOM 128 N SER A 11 10.571 -8.014 -2.705 1.00 0.00 N ATOM 129 CA SER A 11 10.785 -8.923 -3.814 1.00 0.00 C ATOM 130 C SER A 11 11.161 -10.301 -3.287 1.00 0.00 C ATOM 131 O SER A 11 12.283 -10.509 -2.832 1.00 0.00 O ATOM 132 CB SER A 11 11.884 -8.371 -4.717 1.00 0.00 C ATOM 133 OG SER A 11 13.106 -8.355 -4.014 1.00 0.00 O ATOM 0 H SER A 11 11.364 -7.933 -2.068 1.00 0.00 H new ATOM 0 HA SER A 11 9.868 -9.017 -4.395 1.00 0.00 H new ATOM 0 HB2 SER A 11 11.976 -8.985 -5.613 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.628 -7.364 -5.045 1.00 0.00 H new ATOM 0 HG SER A 11 13.121 -9.091 -3.367 1.00 0.00 H new ATOM 139 N GLY A 12 10.218 -11.244 -3.351 1.00 0.00 N ATOM 140 CA GLY A 12 10.459 -12.594 -2.881 1.00 0.00 C ATOM 141 C GLY A 12 10.050 -12.725 -1.421 1.00 0.00 C ATOM 142 O GLY A 12 10.624 -13.522 -0.682 1.00 0.00 O ATOM 0 H GLY A 12 9.282 -11.089 -3.726 1.00 0.00 H new ATOM 0 HA2 GLY A 12 9.897 -13.304 -3.488 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.514 -12.843 -2.994 1.00 0.00 H new ATOM 146 N LEU A 13 9.055 -11.938 -1.005 1.00 0.00 N ATOM 147 CA LEU A 13 8.575 -11.968 0.362 1.00 0.00 C ATOM 148 C LEU A 13 7.283 -12.770 0.438 1.00 0.00 C ATOM 149 O LEU A 13 6.374 -12.563 -0.363 1.00 0.00 O ATOM 150 CB LEU A 13 8.355 -10.541 0.855 1.00 0.00 C ATOM 151 CG LEU A 13 9.474 -9.645 0.333 1.00 0.00 C ATOM 152 CD1 LEU A 13 9.759 -8.542 1.348 1.00 0.00 C ATOM 153 CD2 LEU A 13 10.735 -10.477 0.118 1.00 0.00 C ATOM 0 H LEU A 13 8.569 -11.272 -1.606 1.00 0.00 H new ATOM 0 HA LEU A 13 9.316 -12.449 1.001 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.389 -10.171 0.512 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.336 -10.520 1.945 1.00 0.00 H new ATOM 0 HG LEU A 13 9.169 -9.198 -0.613 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.559 -7.902 0.975 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.859 -7.947 1.501 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.064 -8.988 2.295 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.534 -9.837 -0.255 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.041 -10.925 1.063 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.532 -11.264 -0.608 1.00 0.00 H new ATOM 165 N SER A 14 7.204 -13.687 1.405 1.00 0.00 N ATOM 166 CA SER A 14 6.025 -14.511 1.580 1.00 0.00 C ATOM 167 C SER A 14 5.227 -14.022 2.780 1.00 0.00 C ATOM 168 O SER A 14 5.724 -13.232 3.580 1.00 0.00 O ATOM 169 CB SER A 14 6.447 -15.966 1.767 1.00 0.00 C ATOM 170 OG SER A 14 7.189 -16.388 0.645 1.00 0.00 O ATOM 0 H SER A 14 7.950 -13.871 2.076 1.00 0.00 H new ATOM 0 HA SER A 14 5.392 -14.440 0.696 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.046 -16.069 2.672 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.568 -16.598 1.893 1.00 0.00 H new ATOM 0 HG SER A 14 7.462 -17.322 0.765 1.00 0.00 H new ATOM 176 N ASP A 15 3.985 -14.496 2.905 1.00 0.00 N ATOM 177 CA ASP A 15 3.125 -14.106 4.005 1.00 0.00 C ATOM 178 C ASP A 15 3.907 -14.150 5.310 1.00 0.00 C ATOM 179 O ASP A 15 4.705 -15.059 5.527 1.00 0.00 O ATOM 180 CB ASP A 15 1.920 -15.040 4.064 1.00 0.00 C ATOM 181 CG ASP A 15 2.356 -16.472 4.340 1.00 0.00 C ATOM 182 OD1 ASP A 15 2.460 -16.813 5.538 1.00 0.00 O ATOM 183 OD2 ASP A 15 2.577 -17.200 3.348 1.00 0.00 O ATOM 0 H ASP A 15 3.559 -15.153 2.251 1.00 0.00 H new ATOM 0 HA ASP A 15 2.770 -13.087 3.851 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.235 -14.707 4.844 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.375 -14.997 3.121 1.00 0.00 H new ATOM 188 N GLY A 16 3.676 -13.165 6.182 1.00 0.00 N ATOM 189 CA GLY A 16 4.362 -13.102 7.457 1.00 0.00 C ATOM 190 C GLY A 16 5.457 -12.046 7.416 1.00 0.00 C ATOM 191 O GLY A 16 5.875 -11.540 8.455 1.00 0.00 O ATOM 0 H GLY A 16 3.017 -12.404 6.020 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.651 -12.868 8.249 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.794 -14.074 7.694 1.00 0.00 H new ATOM 195 N THR A 17 5.922 -11.713 6.209 1.00 0.00 N ATOM 196 CA THR A 17 6.964 -10.720 6.043 1.00 0.00 C ATOM 197 C THR A 17 6.383 -9.324 6.217 1.00 0.00 C ATOM 198 O THR A 17 5.220 -9.089 5.898 1.00 0.00 O ATOM 199 CB THR A 17 7.596 -10.874 4.663 1.00 0.00 C ATOM 200 OG1 THR A 17 7.994 -12.214 4.475 1.00 0.00 O ATOM 201 CG2 THR A 17 8.815 -9.962 4.556 1.00 0.00 C ATOM 0 H THR A 17 5.587 -12.122 5.337 1.00 0.00 H new ATOM 0 HA THR A 17 7.734 -10.867 6.801 1.00 0.00 H new ATOM 0 HB THR A 17 6.869 -10.600 3.898 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.280 -12.706 4.019 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.266 -10.072 3.570 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.508 -8.926 4.701 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.542 -10.235 5.321 1.00 0.00 H new ATOM 209 N VAL A 18 7.198 -8.396 6.724 1.00 0.00 N ATOM 210 CA VAL A 18 6.764 -7.031 6.938 1.00 0.00 C ATOM 211 C VAL A 18 7.668 -6.077 6.170 1.00 0.00 C ATOM 212 O VAL A 18 8.888 -6.128 6.310 1.00 0.00 O ATOM 213 CB VAL A 18 6.790 -6.717 8.431 1.00 0.00 C ATOM 214 CG1 VAL A 18 8.236 -6.566 8.894 1.00 0.00 C ATOM 215 CG2 VAL A 18 6.034 -5.417 8.690 1.00 0.00 C ATOM 0 H VAL A 18 8.166 -8.576 6.992 1.00 0.00 H new ATOM 0 HA VAL A 18 5.744 -6.908 6.573 1.00 0.00 H new ATOM 0 HB VAL A 18 6.316 -7.529 8.982 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.255 -6.342 9.960 1.00 0.00 H new ATOM 0 HG12 VAL A 18 8.776 -7.494 8.709 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.711 -5.754 8.344 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.052 -5.192 9.756 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.508 -4.604 8.140 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.001 -5.525 8.359 1.00 0.00 H new ATOM 225 N VAL A 19 7.067 -5.205 5.357 1.00 0.00 N ATOM 226 CA VAL A 19 7.818 -4.246 4.574 1.00 0.00 C ATOM 227 C VAL A 19 7.921 -2.930 5.331 1.00 0.00 C ATOM 228 O VAL A 19 7.262 -2.746 6.352 1.00 0.00 O ATOM 229 CB VAL A 19 7.131 -4.042 3.226 1.00 0.00 C ATOM 230 CG1 VAL A 19 6.945 -5.392 2.540 1.00 0.00 C ATOM 231 CG2 VAL A 19 5.769 -3.390 3.444 1.00 0.00 C ATOM 0 H VAL A 19 6.056 -5.151 5.230 1.00 0.00 H new ATOM 0 HA VAL A 19 8.826 -4.622 4.400 1.00 0.00 H new ATOM 0 HB VAL A 19 7.746 -3.398 2.598 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.454 -5.247 1.578 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.918 -5.858 2.385 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.330 -6.037 3.167 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.277 -3.244 2.482 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.154 -4.034 4.072 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.902 -2.425 3.934 1.00 0.00 H new ATOM 241 N LYS A 20 8.751 -2.013 4.829 1.00 0.00 N ATOM 242 CA LYS A 20 8.934 -0.721 5.461 1.00 0.00 C ATOM 243 C LYS A 20 8.463 0.384 4.526 1.00 0.00 C ATOM 244 O LYS A 20 8.560 0.253 3.308 1.00 0.00 O ATOM 245 CB LYS A 20 10.406 -0.536 5.819 1.00 0.00 C ATOM 246 CG LYS A 20 10.519 0.337 7.066 1.00 0.00 C ATOM 247 CD LYS A 20 10.517 1.808 6.660 1.00 0.00 C ATOM 248 CE LYS A 20 11.910 2.396 6.870 1.00 0.00 C ATOM 249 NZ LYS A 20 12.560 2.685 5.582 1.00 0.00 N ATOM 0 H LYS A 20 9.305 -2.150 3.984 1.00 0.00 H new ATOM 0 HA LYS A 20 8.342 -0.672 6.375 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.873 -1.505 5.996 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.938 -0.073 4.988 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.688 0.134 7.741 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.435 0.099 7.607 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.222 1.908 5.615 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.785 2.358 7.251 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.838 3.311 7.458 1.00 0.00 H new ATOM 0 HE3 LYS A 20 12.521 1.697 7.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.233 3.469 5.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 13.068 1.840 5.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.839 2.951 4.881 1.00 0.00 H new ATOM 263 N VAL A 21 7.952 1.475 5.101 1.00 0.00 N ATOM 264 CA VAL A 21 7.469 2.596 4.319 1.00 0.00 C ATOM 265 C VAL A 21 7.788 3.899 5.038 1.00 0.00 C ATOM 266 O VAL A 21 7.174 4.216 6.055 1.00 0.00 O ATOM 267 CB VAL A 21 5.966 2.452 4.100 1.00 0.00 C ATOM 268 CG1 VAL A 21 5.217 3.183 5.211 1.00 0.00 C ATOM 269 CG2 VAL A 21 5.589 3.057 2.751 1.00 0.00 C ATOM 0 H VAL A 21 7.865 1.598 6.110 1.00 0.00 H new ATOM 0 HA VAL A 21 7.964 2.609 3.348 1.00 0.00 H new ATOM 0 HB VAL A 21 5.697 1.396 4.114 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.143 3.080 5.055 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.486 2.752 6.176 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.486 4.239 5.197 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.515 2.955 2.594 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.859 4.113 2.738 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.123 2.536 1.957 1.00 0.00 H new ATOM 279 N ALA A 22 8.750 4.657 4.506 1.00 0.00 N ATOM 280 CA ALA A 22 9.145 5.919 5.098 1.00 0.00 C ATOM 281 C ALA A 22 8.992 7.037 4.077 1.00 0.00 C ATOM 282 O ALA A 22 9.685 7.052 3.062 1.00 0.00 O ATOM 283 CB ALA A 22 10.588 5.823 5.584 1.00 0.00 C ATOM 0 H ALA A 22 9.267 4.409 3.662 1.00 0.00 H new ATOM 0 HA ALA A 22 8.504 6.142 5.950 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.886 6.772 6.029 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.669 5.031 6.329 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.241 5.597 4.741 1.00 0.00 H new ATOM 289 N GLY A 23 8.082 7.976 4.346 1.00 0.00 N ATOM 290 CA GLY A 23 7.847 9.088 3.448 1.00 0.00 C ATOM 291 C GLY A 23 8.824 10.218 3.742 1.00 0.00 C ATOM 292 O GLY A 23 9.159 10.468 4.898 1.00 0.00 O ATOM 0 H GLY A 23 7.499 7.980 5.183 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.959 8.760 2.415 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.823 9.445 3.560 1.00 0.00 H new ATOM 296 N ALA A 24 9.281 10.902 2.690 1.00 0.00 N ATOM 297 CA ALA A 24 10.216 11.999 2.839 1.00 0.00 C ATOM 298 C ALA A 24 9.813 13.147 1.925 1.00 0.00 C ATOM 299 O ALA A 24 9.895 13.030 0.705 1.00 0.00 O ATOM 300 CB ALA A 24 11.625 11.514 2.509 1.00 0.00 C ATOM 0 H ALA A 24 9.012 10.707 1.726 1.00 0.00 H new ATOM 0 HA ALA A 24 10.201 12.358 3.868 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.329 12.339 2.621 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.900 10.707 3.188 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.653 11.150 1.482 1.00 0.00 H new ATOM 306 N GLY A 25 9.377 14.261 2.518 1.00 0.00 N ATOM 307 CA GLY A 25 8.965 15.420 1.752 1.00 0.00 C ATOM 308 C GLY A 25 7.446 15.506 1.702 1.00 0.00 C ATOM 309 O GLY A 25 6.885 16.100 0.783 1.00 0.00 O ATOM 0 H GLY A 25 9.303 14.376 3.529 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.373 16.325 2.201 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.366 15.358 0.740 1.00 0.00 H new ATOM 313 N LEU A 26 6.780 14.912 2.694 1.00 0.00 N ATOM 314 CA LEU A 26 5.332 14.923 2.760 1.00 0.00 C ATOM 315 C LEU A 26 4.861 16.127 3.564 1.00 0.00 C ATOM 316 O LEU A 26 5.626 17.061 3.792 1.00 0.00 O ATOM 317 CB LEU A 26 4.841 13.625 3.393 1.00 0.00 C ATOM 318 CG LEU A 26 5.860 12.518 3.138 1.00 0.00 C ATOM 319 CD1 LEU A 26 5.148 11.169 3.097 1.00 0.00 C ATOM 320 CD2 LEU A 26 6.558 12.766 1.804 1.00 0.00 C ATOM 0 H LEU A 26 7.231 14.417 3.463 1.00 0.00 H new ATOM 0 HA LEU A 26 4.920 14.999 1.754 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.697 13.762 4.465 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.874 13.347 2.975 1.00 0.00 H new ATOM 0 HG LEU A 26 6.599 12.514 3.939 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.876 10.379 2.915 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.650 10.991 4.050 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.408 11.172 2.297 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.286 11.975 1.622 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.819 12.771 1.002 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.068 13.729 1.834 1.00 0.00 H new ATOM 332 N GLN A 27 3.597 16.102 3.993 1.00 0.00 N ATOM 333 CA GLN A 27 3.032 17.189 4.767 1.00 0.00 C ATOM 334 C GLN A 27 3.291 16.957 6.249 1.00 0.00 C ATOM 335 O GLN A 27 2.971 15.894 6.778 1.00 0.00 O ATOM 336 CB GLN A 27 1.535 17.285 4.488 1.00 0.00 C ATOM 337 CG GLN A 27 1.313 17.756 3.054 1.00 0.00 C ATOM 338 CD GLN A 27 -0.172 17.798 2.720 1.00 0.00 C ATOM 339 OE1 GLN A 27 -0.724 18.868 2.474 1.00 0.00 O ATOM 340 NE2 GLN A 27 -0.817 16.630 2.713 1.00 0.00 N ATOM 0 H GLN A 27 2.950 15.334 3.812 1.00 0.00 H new ATOM 0 HA GLN A 27 3.503 18.129 4.480 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.063 16.314 4.640 1.00 0.00 H new ATOM 0 HB3 GLN A 27 1.068 17.979 5.186 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.748 18.747 2.921 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.826 17.087 2.364 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.314 15.768 2.924 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.813 16.599 2.497 1.00 0.00 H new ATOM 349 N ALA A 28 3.871 17.955 6.919 1.00 0.00 N ATOM 350 CA ALA A 28 4.170 17.855 8.333 1.00 0.00 C ATOM 351 C ALA A 28 2.886 17.979 9.141 1.00 0.00 C ATOM 352 O ALA A 28 2.072 18.863 8.885 1.00 0.00 O ATOM 353 CB ALA A 28 5.161 18.949 8.721 1.00 0.00 C ATOM 0 H ALA A 28 4.141 18.842 6.495 1.00 0.00 H new ATOM 0 HA ALA A 28 4.618 16.885 8.547 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.387 18.875 9.785 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.079 18.829 8.146 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.726 19.926 8.510 1.00 0.00 H new ATOM 359 N GLY A 29 2.705 17.089 10.120 1.00 0.00 N ATOM 360 CA GLY A 29 1.521 17.107 10.956 1.00 0.00 C ATOM 361 C GLY A 29 0.324 16.567 10.186 1.00 0.00 C ATOM 362 O GLY A 29 -0.808 16.643 10.660 1.00 0.00 O ATOM 0 H GLY A 29 3.369 16.349 10.347 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.689 16.506 11.849 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.318 18.125 11.290 1.00 0.00 H new ATOM 366 N THR A 30 0.576 16.018 8.995 1.00 0.00 N ATOM 367 CA THR A 30 -0.482 15.469 8.171 1.00 0.00 C ATOM 368 C THR A 30 -0.571 13.964 8.377 1.00 0.00 C ATOM 369 O THR A 30 0.449 13.282 8.440 1.00 0.00 O ATOM 370 CB THR A 30 -0.207 15.800 6.707 1.00 0.00 C ATOM 371 OG1 THR A 30 -1.011 16.889 6.313 1.00 0.00 O ATOM 372 CG2 THR A 30 -0.536 14.586 5.841 1.00 0.00 C ATOM 0 H THR A 30 1.508 15.946 8.587 1.00 0.00 H new ATOM 0 HA THR A 30 -1.437 15.910 8.457 1.00 0.00 H new ATOM 0 HB THR A 30 0.844 16.061 6.584 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.083 16.905 5.336 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.340 14.821 4.795 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.084 13.743 6.146 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.587 14.326 5.963 1.00 0.00 H new ATOM 380 N ALA A 31 -1.798 13.447 8.480 1.00 0.00 N ATOM 381 CA ALA A 31 -2.015 12.028 8.679 1.00 0.00 C ATOM 382 C ALA A 31 -2.054 11.320 7.332 1.00 0.00 C ATOM 383 O ALA A 31 -2.415 11.921 6.323 1.00 0.00 O ATOM 384 CB ALA A 31 -3.321 11.816 9.439 1.00 0.00 C ATOM 0 H ALA A 31 -2.654 14.000 8.427 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.197 11.609 9.265 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.485 10.749 9.589 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.264 12.314 10.407 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.148 12.233 8.865 1.00 0.00 H new ATOM 390 N TYR A 32 -1.680 10.038 7.318 1.00 0.00 N ATOM 391 CA TYR A 32 -1.673 9.259 6.097 1.00 0.00 C ATOM 392 C TYR A 32 -2.199 7.858 6.375 1.00 0.00 C ATOM 393 O TYR A 32 -2.030 7.337 7.476 1.00 0.00 O ATOM 394 CB TYR A 32 -0.253 9.202 5.540 1.00 0.00 C ATOM 395 CG TYR A 32 0.161 10.462 4.818 1.00 0.00 C ATOM 396 CD1 TYR A 32 -0.299 10.708 3.519 1.00 0.00 C ATOM 397 CD2 TYR A 32 1.006 11.384 5.448 1.00 0.00 C ATOM 398 CE1 TYR A 32 0.085 11.876 2.849 1.00 0.00 C ATOM 399 CE2 TYR A 32 1.390 12.553 4.778 1.00 0.00 C ATOM 400 CZ TYR A 32 0.929 12.798 3.479 1.00 0.00 C ATOM 401 OH TYR A 32 1.303 13.937 2.827 1.00 0.00 O ATOM 0 H TYR A 32 -1.379 9.524 8.146 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.322 9.729 5.358 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.443 9.016 6.358 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.173 8.357 4.856 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -0.950 9.997 3.033 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.362 11.194 6.450 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.270 12.065 1.847 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.041 13.265 5.263 1.00 0.00 H new ATOM 0 HH TYR A 32 0.723 14.074 2.049 1.00 0.00 H new ATOM 411 N ASP A 33 -2.838 7.249 5.374 1.00 0.00 N ATOM 412 CA ASP A 33 -3.385 5.914 5.517 1.00 0.00 C ATOM 413 C ASP A 33 -2.610 4.944 4.638 1.00 0.00 C ATOM 414 O ASP A 33 -2.639 5.054 3.414 1.00 0.00 O ATOM 415 CB ASP A 33 -4.863 5.928 5.136 1.00 0.00 C ATOM 416 CG ASP A 33 -5.733 6.247 6.343 1.00 0.00 C ATOM 417 OD1 ASP A 33 -5.276 5.947 7.467 1.00 0.00 O ATOM 418 OD2 ASP A 33 -6.839 6.785 6.120 1.00 0.00 O ATOM 0 H ASP A 33 -2.986 7.668 4.456 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.294 5.587 6.553 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.034 6.668 4.354 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.146 4.959 4.725 1.00 0.00 H new ATOM 423 N VAL A 34 -1.916 3.991 5.265 1.00 0.00 N ATOM 424 CA VAL A 34 -1.138 3.008 4.538 1.00 0.00 C ATOM 425 C VAL A 34 -1.891 1.686 4.494 1.00 0.00 C ATOM 426 O VAL A 34 -2.595 1.338 5.440 1.00 0.00 O ATOM 427 CB VAL A 34 0.219 2.835 5.213 1.00 0.00 C ATOM 428 CG1 VAL A 34 1.297 2.654 4.149 1.00 0.00 C ATOM 429 CG2 VAL A 34 0.533 4.073 6.049 1.00 0.00 C ATOM 0 H VAL A 34 -1.883 3.887 6.279 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.979 3.348 3.514 1.00 0.00 H new ATOM 0 HB VAL A 34 0.194 1.957 5.858 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.267 2.530 4.631 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.074 1.770 3.551 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.322 3.532 3.503 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.503 3.950 6.532 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.558 4.951 5.404 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.237 4.203 6.810 1.00 0.00 H new ATOM 439 N GLY A 35 -1.742 0.947 3.392 1.00 0.00 N ATOM 440 CA GLY A 35 -2.409 -0.330 3.237 1.00 0.00 C ATOM 441 C GLY A 35 -1.866 -1.064 2.019 1.00 0.00 C ATOM 442 O GLY A 35 -1.109 -0.496 1.235 1.00 0.00 O ATOM 0 H GLY A 35 -1.163 1.219 2.598 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.262 -0.936 4.131 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.483 -0.177 3.129 1.00 0.00 H new ATOM 446 N GLN A 36 -2.253 -2.333 1.863 1.00 0.00 N ATOM 447 CA GLN A 36 -1.803 -3.137 0.745 1.00 0.00 C ATOM 448 C GLN A 36 -2.994 -3.546 -0.110 1.00 0.00 C ATOM 449 O GLN A 36 -3.932 -4.166 0.386 1.00 0.00 O ATOM 450 CB GLN A 36 -1.065 -4.366 1.269 1.00 0.00 C ATOM 451 CG GLN A 36 -1.055 -5.450 0.196 1.00 0.00 C ATOM 452 CD GLN A 36 -0.698 -6.803 0.794 1.00 0.00 C ATOM 453 OE1 GLN A 36 -1.489 -7.386 1.533 1.00 0.00 O ATOM 454 NE2 GLN A 36 0.498 -7.302 0.474 1.00 0.00 N ATOM 0 H GLN A 36 -2.880 -2.819 2.505 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.120 -2.556 0.125 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.044 -4.101 1.542 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.550 -4.737 2.172 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.034 -5.505 -0.280 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.337 -5.191 -0.582 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.120 -6.780 -0.144 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.790 -8.205 0.847 1.00 0.00 H new ATOM 463 N CYS A 37 -2.953 -3.199 -1.398 1.00 0.00 N ATOM 464 CA CYS A 37 -4.025 -3.531 -2.315 1.00 0.00 C ATOM 465 C CYS A 37 -3.462 -4.275 -3.517 1.00 0.00 C ATOM 466 O CYS A 37 -2.327 -4.035 -3.923 1.00 0.00 O ATOM 467 CB CYS A 37 -4.733 -2.252 -2.753 1.00 0.00 C ATOM 468 SG CYS A 37 -4.687 -0.926 -1.521 1.00 0.00 S ATOM 0 H CYS A 37 -2.181 -2.686 -1.823 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.748 -4.178 -1.818 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -4.276 -1.893 -3.675 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.773 -2.485 -2.983 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.743 -0.179 -1.648 1.00 0.00 H new ATOM 473 N ALA A 38 -4.260 -5.182 -4.087 1.00 0.00 N ATOM 474 CA ALA A 38 -3.838 -5.957 -5.236 1.00 0.00 C ATOM 475 C ALA A 38 -4.818 -5.753 -6.383 1.00 0.00 C ATOM 476 O ALA A 38 -6.030 -5.792 -6.180 1.00 0.00 O ATOM 477 CB ALA A 38 -3.753 -7.431 -4.852 1.00 0.00 C ATOM 0 H ALA A 38 -5.204 -5.391 -3.763 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.853 -5.624 -5.562 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.436 -8.014 -5.716 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.031 -7.556 -4.045 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.732 -7.778 -4.520 1.00 0.00 H new ATOM 483 N TRP A 39 -4.292 -5.536 -7.590 1.00 0.00 N ATOM 484 CA TRP A 39 -5.125 -5.330 -8.758 1.00 0.00 C ATOM 485 C TRP A 39 -5.908 -6.598 -9.066 1.00 0.00 C ATOM 486 O TRP A 39 -5.322 -7.662 -9.254 1.00 0.00 O ATOM 487 CB TRP A 39 -4.250 -4.933 -9.943 1.00 0.00 C ATOM 488 CG TRP A 39 -4.649 -5.536 -11.251 1.00 0.00 C ATOM 489 CD1 TRP A 39 -5.918 -5.799 -11.634 1.00 0.00 C ATOM 490 CD2 TRP A 39 -3.801 -5.961 -12.361 1.00 0.00 C ATOM 491 NE1 TRP A 39 -5.913 -6.353 -12.897 1.00 0.00 N ATOM 492 CE2 TRP A 39 -4.632 -6.476 -13.393 1.00 0.00 C ATOM 493 CE3 TRP A 39 -2.416 -5.964 -12.602 1.00 0.00 C ATOM 494 CZ2 TRP A 39 -4.118 -6.967 -14.597 1.00 0.00 C ATOM 495 CZ3 TRP A 39 -1.890 -6.454 -13.806 1.00 0.00 C ATOM 496 CH2 TRP A 39 -2.735 -6.955 -14.803 1.00 0.00 C ATOM 0 H TRP A 39 -3.290 -5.500 -7.776 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.836 -4.527 -8.564 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -4.266 -3.847 -10.040 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -3.220 -5.218 -9.727 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -6.800 -5.605 -11.042 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -6.753 -6.637 -13.402 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -1.745 -5.582 -11.847 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -4.781 -7.351 -15.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -0.822 -6.445 -13.966 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -2.321 -7.331 -15.727 1.00 0.00 H new ATOM 507 N VAL A 40 -7.237 -6.482 -9.119 1.00 0.00 N ATOM 508 CA VAL A 40 -8.093 -7.616 -9.404 1.00 0.00 C ATOM 509 C VAL A 40 -8.594 -7.535 -10.839 1.00 0.00 C ATOM 510 O VAL A 40 -8.636 -8.543 -11.541 1.00 0.00 O ATOM 511 CB VAL A 40 -9.261 -7.630 -8.423 1.00 0.00 C ATOM 512 CG1 VAL A 40 -8.727 -7.727 -6.996 1.00 0.00 C ATOM 513 CG2 VAL A 40 -10.070 -6.345 -8.577 1.00 0.00 C ATOM 0 H VAL A 40 -7.737 -5.606 -8.966 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.529 -8.541 -9.289 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.899 -8.489 -8.631 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.562 -7.737 -6.295 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -8.149 -8.645 -6.885 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -8.088 -6.869 -6.787 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.905 -6.354 -7.876 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.432 -5.486 -8.369 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -10.452 -6.275 -9.595 1.00 0.00 H new ATOM 523 N ASP A 41 -8.974 -6.332 -11.273 1.00 0.00 N ATOM 524 CA ASP A 41 -9.470 -6.126 -12.619 1.00 0.00 C ATOM 525 C ASP A 41 -8.773 -4.928 -13.248 1.00 0.00 C ATOM 526 O ASP A 41 -7.910 -4.314 -12.625 1.00 0.00 O ATOM 527 CB ASP A 41 -10.980 -5.913 -12.577 1.00 0.00 C ATOM 528 CG ASP A 41 -11.721 -7.195 -12.928 1.00 0.00 C ATOM 529 OD1 ASP A 41 -11.257 -8.262 -12.472 1.00 0.00 O ATOM 530 OD2 ASP A 41 -12.737 -7.084 -13.647 1.00 0.00 O ATOM 0 H ASP A 41 -8.944 -5.487 -10.703 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.258 -7.005 -13.227 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.276 -5.578 -11.583 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.259 -5.124 -13.276 1.00 0.00 H new ATOM 535 N THR A 42 -9.148 -4.597 -14.485 1.00 0.00 N ATOM 536 CA THR A 42 -8.556 -3.475 -15.185 1.00 0.00 C ATOM 537 C THR A 42 -8.997 -2.169 -14.540 1.00 0.00 C ATOM 538 O THR A 42 -10.173 -1.816 -14.588 1.00 0.00 O ATOM 539 CB THR A 42 -8.969 -3.518 -16.654 1.00 0.00 C ATOM 540 OG1 THR A 42 -8.377 -4.637 -17.275 1.00 0.00 O ATOM 541 CG2 THR A 42 -8.502 -2.244 -17.351 1.00 0.00 C ATOM 0 H THR A 42 -9.861 -5.096 -15.017 1.00 0.00 H new ATOM 0 HA THR A 42 -7.470 -3.537 -15.123 1.00 0.00 H new ATOM 0 HB THR A 42 -10.054 -3.594 -16.725 1.00 0.00 H new ATOM 0 HG1 THR A 42 -8.643 -4.667 -18.218 1.00 0.00 H new ATOM 0 HG21 THR A 42 -8.797 -2.274 -18.400 1.00 0.00 H new ATOM 0 HG22 THR A 42 -8.958 -1.378 -16.871 1.00 0.00 H new ATOM 0 HG23 THR A 42 -7.417 -2.168 -17.281 1.00 0.00 H new ATOM 549 N GLY A 43 -8.049 -1.451 -13.934 1.00 0.00 N ATOM 550 CA GLY A 43 -8.348 -0.190 -13.284 1.00 0.00 C ATOM 551 C GLY A 43 -9.085 -0.434 -11.975 1.00 0.00 C ATOM 552 O GLY A 43 -9.590 0.503 -11.361 1.00 0.00 O ATOM 0 H GLY A 43 -7.069 -1.729 -13.884 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.425 0.357 -13.093 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.956 0.431 -13.942 1.00 0.00 H new ATOM 556 N VAL A 44 -9.145 -1.697 -11.549 1.00 0.00 N ATOM 557 CA VAL A 44 -9.819 -2.058 -10.318 1.00 0.00 C ATOM 558 C VAL A 44 -8.897 -2.912 -9.458 1.00 0.00 C ATOM 559 O VAL A 44 -8.391 -3.934 -9.914 1.00 0.00 O ATOM 560 CB VAL A 44 -11.105 -2.811 -10.644 1.00 0.00 C ATOM 561 CG1 VAL A 44 -11.165 -3.090 -12.144 1.00 0.00 C ATOM 562 CG2 VAL A 44 -11.129 -4.132 -9.880 1.00 0.00 C ATOM 0 H VAL A 44 -8.730 -2.485 -12.047 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.074 -1.157 -9.760 1.00 0.00 H new ATOM 0 HB VAL A 44 -11.964 -2.207 -10.352 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -12.084 -3.628 -12.378 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.148 -2.147 -12.690 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -10.306 -3.694 -12.436 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.048 -4.670 -10.113 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.270 -4.737 -10.172 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.086 -3.934 -8.809 1.00 0.00 H new ATOM 572 N LEU A 45 -8.681 -2.489 -8.210 1.00 0.00 N ATOM 573 CA LEU A 45 -7.824 -3.215 -7.294 1.00 0.00 C ATOM 574 C LEU A 45 -8.508 -3.348 -5.941 1.00 0.00 C ATOM 575 O LEU A 45 -9.162 -2.415 -5.480 1.00 0.00 O ATOM 576 CB LEU A 45 -6.492 -2.482 -7.156 1.00 0.00 C ATOM 577 CG LEU A 45 -6.600 -1.433 -6.053 1.00 0.00 C ATOM 578 CD1 LEU A 45 -5.202 -1.021 -5.604 1.00 0.00 C ATOM 579 CD2 LEU A 45 -7.346 -0.212 -6.584 1.00 0.00 C ATOM 0 H LEU A 45 -9.094 -1.643 -7.818 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.636 -4.216 -7.683 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.697 -3.191 -6.922 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.227 -2.006 -8.100 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.144 -1.851 -5.206 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.279 -0.272 -4.816 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.670 -1.893 -5.224 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.657 -0.603 -6.450 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.424 0.538 -5.797 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.803 0.206 -7.431 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.345 -0.507 -6.904 1.00 0.00 H new ATOM 591 N ALA A 46 -8.356 -4.512 -5.306 1.00 0.00 N ATOM 592 CA ALA A 46 -8.960 -4.761 -4.012 1.00 0.00 C ATOM 593 C ALA A 46 -7.958 -4.454 -2.909 1.00 0.00 C ATOM 594 O ALA A 46 -6.763 -4.696 -3.067 1.00 0.00 O ATOM 595 CB ALA A 46 -9.418 -6.215 -3.938 1.00 0.00 C ATOM 0 H ALA A 46 -7.816 -5.295 -5.675 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.827 -4.114 -3.879 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.873 -6.404 -2.966 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.149 -6.407 -4.724 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.560 -6.874 -4.072 1.00 0.00 H new ATOM 601 N CYS A 47 -8.447 -3.919 -1.788 1.00 0.00 N ATOM 602 CA CYS A 47 -7.595 -3.582 -0.665 1.00 0.00 C ATOM 603 C CYS A 47 -7.785 -4.601 0.450 1.00 0.00 C ATOM 604 O CYS A 47 -8.796 -5.298 0.490 1.00 0.00 O ATOM 605 CB CYS A 47 -7.932 -2.176 -0.177 1.00 0.00 C ATOM 606 SG CYS A 47 -7.199 -0.855 -1.174 1.00 0.00 S ATOM 0 H CYS A 47 -9.435 -3.712 -1.642 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.550 -3.604 -0.975 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.015 -2.054 -0.171 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.594 -2.069 0.854 1.00 0.00 H new ATOM 0 HG CYS A 47 -5.941 -0.731 -0.872 1.00 0.00 H new ATOM 611 N ASN A 48 -6.809 -4.685 1.357 1.00 0.00 N ATOM 612 CA ASN A 48 -6.876 -5.617 2.465 1.00 0.00 C ATOM 613 C ASN A 48 -6.864 -4.857 3.783 1.00 0.00 C ATOM 614 O ASN A 48 -5.854 -4.258 4.148 1.00 0.00 O ATOM 615 CB ASN A 48 -5.698 -6.583 2.387 1.00 0.00 C ATOM 616 CG ASN A 48 -5.612 -7.438 3.643 1.00 0.00 C ATOM 617 OD1 ASN A 48 -6.567 -7.511 4.413 1.00 0.00 O ATOM 618 ND2 ASN A 48 -4.463 -8.087 3.849 1.00 0.00 N ATOM 0 H ASN A 48 -5.964 -4.114 1.338 1.00 0.00 H new ATOM 0 HA ASN A 48 -7.803 -6.188 2.408 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.806 -7.224 1.512 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.771 -6.023 2.259 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.350 -8.675 4.675 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.698 -7.995 3.180 1.00 0.00 H new ATOM 625 N PRO A 49 -7.990 -4.883 4.499 1.00 0.00 N ATOM 626 CA PRO A 49 -8.161 -4.221 5.775 1.00 0.00 C ATOM 627 C PRO A 49 -7.380 -4.968 6.846 1.00 0.00 C ATOM 628 O PRO A 49 -7.395 -4.580 8.012 1.00 0.00 O ATOM 629 CB PRO A 49 -9.663 -4.283 6.049 1.00 0.00 C ATOM 630 CG PRO A 49 -10.083 -5.571 5.343 1.00 0.00 C ATOM 631 CD PRO A 49 -9.195 -5.577 4.100 1.00 0.00 C ATOM 0 HA PRO A 49 -7.796 -3.194 5.773 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -9.878 -4.319 7.117 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.184 -3.414 5.648 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.913 -6.449 5.967 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -11.142 -5.564 5.084 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -8.976 -6.594 3.776 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.682 -5.074 3.264 1.00 0.00 H new ATOM 639 N ALA A 50 -6.696 -6.043 6.448 1.00 0.00 N ATOM 640 CA ALA A 50 -5.915 -6.839 7.374 1.00 0.00 C ATOM 641 C ALA A 50 -4.498 -6.289 7.458 1.00 0.00 C ATOM 642 O ALA A 50 -3.734 -6.673 8.341 1.00 0.00 O ATOM 643 CB ALA A 50 -5.905 -8.293 6.910 1.00 0.00 C ATOM 0 H ALA A 50 -6.673 -6.377 5.484 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.361 -6.792 8.367 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.318 -8.893 7.605 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.927 -8.671 6.877 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.463 -8.355 5.915 1.00 0.00 H new ATOM 649 N ASP A 51 -4.149 -5.389 6.537 1.00 0.00 N ATOM 650 CA ASP A 51 -2.828 -4.794 6.512 1.00 0.00 C ATOM 651 C ASP A 51 -2.948 -3.278 6.433 1.00 0.00 C ATOM 652 O ASP A 51 -2.058 -2.610 5.912 1.00 0.00 O ATOM 653 CB ASP A 51 -2.049 -5.337 5.317 1.00 0.00 C ATOM 654 CG ASP A 51 -2.884 -5.267 4.046 1.00 0.00 C ATOM 655 OD1 ASP A 51 -3.575 -4.239 3.878 1.00 0.00 O ATOM 656 OD2 ASP A 51 -2.814 -6.241 3.267 1.00 0.00 O ATOM 0 H ASP A 51 -4.772 -5.060 5.799 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.292 -5.050 7.426 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.131 -4.764 5.186 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.756 -6.369 5.508 1.00 0.00 H new ATOM 661 N PHE A 52 -4.051 -2.736 6.953 1.00 0.00 N ATOM 662 CA PHE A 52 -4.278 -1.305 6.938 1.00 0.00 C ATOM 663 C PHE A 52 -3.583 -0.660 8.129 1.00 0.00 C ATOM 664 O PHE A 52 -4.033 -0.801 9.264 1.00 0.00 O ATOM 665 CB PHE A 52 -5.778 -1.029 6.972 1.00 0.00 C ATOM 666 CG PHE A 52 -6.312 -0.443 5.686 1.00 0.00 C ATOM 667 CD1 PHE A 52 -5.477 0.329 4.870 1.00 0.00 C ATOM 668 CD2 PHE A 52 -7.642 -0.669 5.313 1.00 0.00 C ATOM 669 CE1 PHE A 52 -5.972 0.874 3.679 1.00 0.00 C ATOM 670 CE2 PHE A 52 -8.137 -0.123 4.122 1.00 0.00 C ATOM 671 CZ PHE A 52 -7.302 0.648 3.305 1.00 0.00 C ATOM 0 H PHE A 52 -4.798 -3.276 7.389 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.864 -0.876 6.026 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.306 -1.959 7.185 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.995 -0.344 7.792 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.451 0.504 5.159 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -8.286 -1.264 5.943 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.328 1.469 3.049 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -9.163 -0.297 3.834 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.684 1.068 2.386 1.00 0.00 H new ATOM 681 N SER A 53 -2.484 0.051 7.868 1.00 0.00 N ATOM 682 CA SER A 53 -1.736 0.714 8.917 1.00 0.00 C ATOM 683 C SER A 53 -2.002 2.212 8.873 1.00 0.00 C ATOM 684 O SER A 53 -2.683 2.698 7.973 1.00 0.00 O ATOM 685 CB SER A 53 -0.248 0.423 8.742 1.00 0.00 C ATOM 686 OG SER A 53 0.456 0.883 9.873 1.00 0.00 O ATOM 0 H SER A 53 -2.098 0.178 6.932 1.00 0.00 H new ATOM 0 HA SER A 53 -2.054 0.338 9.889 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.089 -0.647 8.611 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.126 0.913 7.843 1.00 0.00 H new ATOM 0 HG SER A 53 1.411 0.695 9.762 1.00 0.00 H new ATOM 692 N SER A 54 -1.460 2.945 9.849 1.00 0.00 N ATOM 693 CA SER A 54 -1.639 4.381 9.915 1.00 0.00 C ATOM 694 C SER A 54 -0.393 5.031 10.498 1.00 0.00 C ATOM 695 O SER A 54 0.388 4.376 11.185 1.00 0.00 O ATOM 696 CB SER A 54 -2.865 4.701 10.766 1.00 0.00 C ATOM 697 OG SER A 54 -2.572 4.453 12.123 1.00 0.00 O ATOM 0 H SER A 54 -0.893 2.557 10.603 1.00 0.00 H new ATOM 0 HA SER A 54 -1.795 4.778 8.912 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.154 5.743 10.630 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.711 4.092 10.448 1.00 0.00 H new ATOM 0 HG SER A 54 -3.358 4.660 12.670 1.00 0.00 H new ATOM 703 N VAL A 55 -0.208 6.324 10.223 1.00 0.00 N ATOM 704 CA VAL A 55 0.939 7.056 10.721 1.00 0.00 C ATOM 705 C VAL A 55 0.730 8.548 10.507 1.00 0.00 C ATOM 706 O VAL A 55 -0.065 8.951 9.661 1.00 0.00 O ATOM 707 CB VAL A 55 2.198 6.577 10.002 1.00 0.00 C ATOM 708 CG1 VAL A 55 2.013 6.731 8.495 1.00 0.00 C ATOM 709 CG2 VAL A 55 3.391 7.413 10.456 1.00 0.00 C ATOM 0 H VAL A 55 -0.846 6.880 9.654 1.00 0.00 H new ATOM 0 HA VAL A 55 1.056 6.875 11.790 1.00 0.00 H new ATOM 0 HB VAL A 55 2.377 5.529 10.241 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.912 6.389 7.981 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.160 6.135 8.170 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.835 7.779 8.256 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.290 7.072 9.943 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.213 8.461 10.217 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.523 7.304 11.532 1.00 0.00 H new ATOM 719 N THR A 56 1.447 9.370 11.277 1.00 0.00 N ATOM 720 CA THR A 56 1.335 10.811 11.164 1.00 0.00 C ATOM 721 C THR A 56 2.716 11.427 10.996 1.00 0.00 C ATOM 722 O THR A 56 3.604 11.200 11.815 1.00 0.00 O ATOM 723 CB THR A 56 0.642 11.365 12.406 1.00 0.00 C ATOM 724 OG1 THR A 56 -0.567 10.672 12.618 1.00 0.00 O ATOM 725 CG2 THR A 56 0.350 12.849 12.206 1.00 0.00 C ATOM 0 H THR A 56 2.110 9.053 11.984 1.00 0.00 H new ATOM 0 HA THR A 56 0.739 11.065 10.287 1.00 0.00 H new ATOM 0 HB THR A 56 1.291 11.236 13.272 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.011 11.026 13.416 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.145 13.245 13.093 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.285 13.385 12.042 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.299 12.979 11.340 1.00 0.00 H new ATOM 733 N ALA A 57 2.895 12.211 9.930 1.00 0.00 N ATOM 734 CA ALA A 57 4.164 12.855 9.660 1.00 0.00 C ATOM 735 C ALA A 57 4.564 13.724 10.844 1.00 0.00 C ATOM 736 O ALA A 57 3.706 14.203 11.582 1.00 0.00 O ATOM 737 CB ALA A 57 4.048 13.692 8.389 1.00 0.00 C ATOM 0 H ALA A 57 2.168 12.410 9.243 1.00 0.00 H new ATOM 0 HA ALA A 57 4.936 12.100 9.513 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.002 14.177 8.185 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.782 13.047 7.552 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.276 14.450 8.522 1.00 0.00 H new ATOM 743 N ASP A 58 5.871 13.927 11.023 1.00 0.00 N ATOM 744 CA ASP A 58 6.376 14.735 12.115 1.00 0.00 C ATOM 745 C ASP A 58 6.612 16.160 11.635 1.00 0.00 C ATOM 746 O ASP A 58 6.199 16.523 10.536 1.00 0.00 O ATOM 747 CB ASP A 58 7.669 14.122 12.645 1.00 0.00 C ATOM 748 CG ASP A 58 8.744 14.107 11.568 1.00 0.00 C ATOM 749 OD1 ASP A 58 8.482 14.693 10.495 1.00 0.00 O ATOM 750 OD2 ASP A 58 9.809 13.510 11.837 1.00 0.00 O ATOM 0 H ASP A 58 6.595 13.538 10.419 1.00 0.00 H new ATOM 0 HA ASP A 58 5.644 14.761 12.922 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.019 14.691 13.506 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.480 13.105 12.990 1.00 0.00 H new ATOM 755 N ALA A 59 7.278 16.968 12.463 1.00 0.00 N ATOM 756 CA ALA A 59 7.563 18.347 12.120 1.00 0.00 C ATOM 757 C ALA A 59 8.456 18.398 10.889 1.00 0.00 C ATOM 758 O ALA A 59 8.457 19.389 10.162 1.00 0.00 O ATOM 759 CB ALA A 59 8.235 19.036 13.305 1.00 0.00 C ATOM 0 H ALA A 59 7.628 16.682 13.377 1.00 0.00 H new ATOM 0 HA ALA A 59 6.634 18.869 11.892 1.00 0.00 H new ATOM 0 HB1 ALA A 59 8.450 20.073 13.049 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.570 19.006 14.168 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.165 18.521 13.545 1.00 0.00 H new ATOM 765 N ASN A 60 9.216 17.326 10.656 1.00 0.00 N ATOM 766 CA ASN A 60 10.107 17.256 9.515 1.00 0.00 C ATOM 767 C ASN A 60 9.324 16.868 8.269 1.00 0.00 C ATOM 768 O ASN A 60 9.864 16.881 7.164 1.00 0.00 O ATOM 769 CB ASN A 60 11.213 16.242 9.796 1.00 0.00 C ATOM 770 CG ASN A 60 12.467 16.572 9.001 1.00 0.00 C ATOM 771 OD1 ASN A 60 12.963 17.695 9.058 1.00 0.00 O ATOM 772 ND2 ASN A 60 12.982 15.589 8.258 1.00 0.00 N ATOM 0 H ASN A 60 9.226 16.496 11.249 1.00 0.00 H new ATOM 0 HA ASN A 60 10.561 18.232 9.344 1.00 0.00 H new ATOM 0 HB2 ASN A 60 11.444 16.236 10.861 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.868 15.241 9.539 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.823 15.754 7.705 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.534 14.673 8.243 1.00 0.00 H new ATOM 779 N GLY A 61 8.047 16.521 8.447 1.00 0.00 N ATOM 780 CA GLY A 61 7.202 16.133 7.336 1.00 0.00 C ATOM 781 C GLY A 61 7.534 14.715 6.891 1.00 0.00 C ATOM 782 O GLY A 61 7.111 14.282 5.821 1.00 0.00 O ATOM 0 H GLY A 61 7.583 16.504 9.355 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.154 16.194 7.629 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.342 16.824 6.505 1.00 0.00 H new ATOM 786 N SER A 62 8.294 13.992 7.716 1.00 0.00 N ATOM 787 CA SER A 62 8.677 12.630 7.405 1.00 0.00 C ATOM 788 C SER A 62 7.866 11.658 8.252 1.00 0.00 C ATOM 789 O SER A 62 7.634 11.906 9.433 1.00 0.00 O ATOM 790 CB SER A 62 10.171 12.451 7.658 1.00 0.00 C ATOM 791 OG SER A 62 10.444 12.667 9.025 1.00 0.00 O ATOM 0 H SER A 62 8.653 14.337 8.606 1.00 0.00 H new ATOM 0 HA SER A 62 8.473 12.423 6.355 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.483 11.448 7.368 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.741 13.151 7.047 1.00 0.00 H new ATOM 0 HG SER A 62 11.403 12.551 9.189 1.00 0.00 H new ATOM 797 N ALA A 63 7.437 10.550 7.645 1.00 0.00 N ATOM 798 CA ALA A 63 6.656 9.549 8.343 1.00 0.00 C ATOM 799 C ALA A 63 7.372 8.207 8.290 1.00 0.00 C ATOM 800 O ALA A 63 8.261 8.008 7.464 1.00 0.00 O ATOM 801 CB ALA A 63 5.273 9.449 7.708 1.00 0.00 C ATOM 0 H ALA A 63 7.623 10.330 6.666 1.00 0.00 H new ATOM 0 HA ALA A 63 6.541 9.836 9.388 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.685 8.696 8.233 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.771 10.414 7.776 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.373 9.166 6.660 1.00 0.00 H new ATOM 807 N SER A 64 6.984 7.285 9.174 1.00 0.00 N ATOM 808 CA SER A 64 7.589 5.969 9.221 1.00 0.00 C ATOM 809 C SER A 64 6.573 4.950 9.717 1.00 0.00 C ATOM 810 O SER A 64 6.033 5.092 10.812 1.00 0.00 O ATOM 811 CB SER A 64 8.811 6.005 10.135 1.00 0.00 C ATOM 812 OG SER A 64 8.412 5.738 11.461 1.00 0.00 O ATOM 0 H SER A 64 6.250 7.435 9.866 1.00 0.00 H new ATOM 0 HA SER A 64 7.908 5.675 8.221 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.545 5.268 9.809 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.293 6.981 10.078 1.00 0.00 H new ATOM 0 HG SER A 64 7.436 5.801 11.528 1.00 0.00 H new ATOM 818 N THR A 65 6.314 3.920 8.909 1.00 0.00 N ATOM 819 CA THR A 65 5.367 2.886 9.274 1.00 0.00 C ATOM 820 C THR A 65 5.755 1.571 8.613 1.00 0.00 C ATOM 821 O THR A 65 6.390 1.565 7.561 1.00 0.00 O ATOM 822 CB THR A 65 3.964 3.310 8.850 1.00 0.00 C ATOM 823 OG1 THR A 65 3.140 3.414 9.990 1.00 0.00 O ATOM 824 CG2 THR A 65 3.383 2.270 7.896 1.00 0.00 C ATOM 0 H THR A 65 6.752 3.787 7.998 1.00 0.00 H new ATOM 0 HA THR A 65 5.379 2.743 10.355 1.00 0.00 H new ATOM 0 HB THR A 65 4.013 4.276 8.347 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.199 3.370 9.719 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.381 2.573 7.594 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.019 2.189 7.015 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.334 1.304 8.398 1.00 0.00 H new ATOM 832 N SER A 66 5.369 0.453 9.234 1.00 0.00 N ATOM 833 CA SER A 66 5.677 -0.860 8.703 1.00 0.00 C ATOM 834 C SER A 66 4.412 -1.503 8.151 1.00 0.00 C ATOM 835 O SER A 66 3.443 -1.698 8.881 1.00 0.00 O ATOM 836 CB SER A 66 6.286 -1.722 9.805 1.00 0.00 C ATOM 837 OG SER A 66 6.698 -0.899 10.873 1.00 0.00 O ATOM 0 H SER A 66 4.842 0.441 10.107 1.00 0.00 H new ATOM 0 HA SER A 66 6.398 -0.769 7.891 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.556 -2.452 10.155 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.136 -2.282 9.415 1.00 0.00 H new ATOM 0 HG SER A 66 7.088 -1.453 11.581 1.00 0.00 H new ATOM 843 N LEU A 67 4.425 -1.833 6.858 1.00 0.00 N ATOM 844 CA LEU A 67 3.283 -2.452 6.215 1.00 0.00 C ATOM 845 C LEU A 67 3.502 -3.955 6.108 1.00 0.00 C ATOM 846 O LEU A 67 4.640 -4.420 6.113 1.00 0.00 O ATOM 847 CB LEU A 67 3.080 -1.836 4.834 1.00 0.00 C ATOM 848 CG LEU A 67 1.590 -1.786 4.513 1.00 0.00 C ATOM 849 CD1 LEU A 67 1.269 -0.482 3.788 1.00 0.00 C ATOM 850 CD2 LEU A 67 1.221 -2.969 3.622 1.00 0.00 C ATOM 0 H LEU A 67 5.222 -1.678 6.240 1.00 0.00 H new ATOM 0 HA LEU A 67 2.388 -2.277 6.811 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.503 -0.832 4.806 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.605 -2.424 4.081 1.00 0.00 H new ATOM 0 HG LEU A 67 1.017 -1.837 5.439 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.204 -0.446 3.558 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.532 0.363 4.425 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.842 -0.430 2.862 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.156 -2.933 3.393 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.794 -2.919 2.696 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.449 -3.900 4.140 1.00 0.00 H new ATOM 862 N THR A 68 2.409 -4.715 6.012 1.00 0.00 N ATOM 863 CA THR A 68 2.492 -6.157 5.904 1.00 0.00 C ATOM 864 C THR A 68 2.039 -6.600 4.520 1.00 0.00 C ATOM 865 O THR A 68 0.960 -6.224 4.067 1.00 0.00 O ATOM 866 CB THR A 68 1.628 -6.798 6.986 1.00 0.00 C ATOM 867 OG1 THR A 68 0.999 -7.948 6.466 1.00 0.00 O ATOM 868 CG2 THR A 68 0.567 -5.802 7.446 1.00 0.00 C ATOM 0 H THR A 68 1.458 -4.346 6.008 1.00 0.00 H new ATOM 0 HA THR A 68 3.525 -6.476 6.045 1.00 0.00 H new ATOM 0 HB THR A 68 2.255 -7.078 7.833 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.680 -8.587 6.169 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.051 -6.259 8.219 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.053 -4.913 7.848 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.060 -5.521 6.600 1.00 0.00 H new ATOM 876 N VAL A 69 2.868 -7.403 3.849 1.00 0.00 N ATOM 877 CA VAL A 69 2.551 -7.894 2.523 1.00 0.00 C ATOM 878 C VAL A 69 2.028 -9.321 2.613 1.00 0.00 C ATOM 879 O VAL A 69 2.650 -10.172 3.244 1.00 0.00 O ATOM 880 CB VAL A 69 3.797 -7.829 1.645 1.00 0.00 C ATOM 881 CG1 VAL A 69 5.030 -7.648 2.526 1.00 0.00 C ATOM 882 CG2 VAL A 69 3.926 -9.124 0.848 1.00 0.00 C ATOM 0 H VAL A 69 3.766 -7.723 4.212 1.00 0.00 H new ATOM 0 HA VAL A 69 1.776 -7.271 2.076 1.00 0.00 H new ATOM 0 HB VAL A 69 3.714 -6.987 0.958 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.921 -7.601 1.900 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.938 -6.723 3.095 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.113 -8.490 3.213 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.816 -9.078 0.221 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.009 -9.967 1.534 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.045 -9.253 0.219 1.00 0.00 H new ATOM 892 N ARG A 70 0.883 -9.580 1.979 1.00 0.00 N ATOM 893 CA ARG A 70 0.283 -10.899 1.991 1.00 0.00 C ATOM 894 C ARG A 70 0.307 -11.489 0.588 1.00 0.00 C ATOM 895 O ARG A 70 0.352 -10.754 -0.396 1.00 0.00 O ATOM 896 CB ARG A 70 -1.148 -10.802 2.512 1.00 0.00 C ATOM 897 CG ARG A 70 -1.151 -10.987 4.027 1.00 0.00 C ATOM 898 CD ARG A 70 -0.109 -10.065 4.654 1.00 0.00 C ATOM 899 NE ARG A 70 -0.356 -9.890 6.086 1.00 0.00 N ATOM 900 CZ ARG A 70 -0.107 -10.849 6.988 1.00 0.00 C ATOM 901 NH1 ARG A 70 0.391 -12.028 6.592 1.00 0.00 N ATOM 902 NH2 ARG A 70 -0.356 -10.629 8.286 1.00 0.00 N ATOM 0 H ARG A 70 0.357 -8.884 1.451 1.00 0.00 H new ATOM 0 HA ARG A 70 0.852 -11.555 2.650 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.576 -9.834 2.252 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -1.770 -11.563 2.041 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.139 -10.764 4.429 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -0.932 -12.025 4.278 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.887 -10.480 4.501 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -0.130 -9.095 4.157 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.734 -9.000 6.411 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.581 -12.196 5.604 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.581 -12.758 7.279 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.735 -9.731 8.588 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.166 -11.359 8.973 1.00 0.00 H new ATOM 916 N ARG A 71 0.275 -12.821 0.498 1.00 0.00 N ATOM 917 CA ARG A 71 0.293 -13.502 -0.781 1.00 0.00 C ATOM 918 C ARG A 71 -1.131 -13.701 -1.279 1.00 0.00 C ATOM 919 O ARG A 71 -1.342 -14.042 -2.441 1.00 0.00 O ATOM 920 CB ARG A 71 1.006 -14.843 -0.632 1.00 0.00 C ATOM 921 CG ARG A 71 0.124 -15.801 0.165 1.00 0.00 C ATOM 922 CD ARG A 71 -0.522 -16.806 -0.785 1.00 0.00 C ATOM 923 NE ARG A 71 -1.555 -17.585 -0.102 1.00 0.00 N ATOM 924 CZ ARG A 71 -2.071 -18.711 -0.612 1.00 0.00 C ATOM 925 NH1 ARG A 71 -1.642 -19.168 -1.797 1.00 0.00 N ATOM 926 NH2 ARG A 71 -3.016 -19.381 0.062 1.00 0.00 N ATOM 0 H ARG A 71 0.236 -13.444 1.305 1.00 0.00 H new ATOM 0 HA ARG A 71 0.831 -12.898 -1.512 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.223 -15.263 -1.614 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.962 -14.705 -0.126 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.720 -16.323 0.914 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.645 -15.244 0.701 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.960 -16.280 -1.633 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.240 -17.476 -1.184 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.897 -17.257 0.801 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.923 -18.658 -2.310 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.035 -20.025 -2.185 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -3.343 -19.034 0.964 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.409 -20.238 -0.327 1.00 0.00 H new ATOM 940 N SER A 72 -2.110 -13.486 -0.398 1.00 0.00 N ATOM 941 CA SER A 72 -3.506 -13.641 -0.753 1.00 0.00 C ATOM 942 C SER A 72 -4.385 -13.009 0.317 1.00 0.00 C ATOM 943 O SER A 72 -4.079 -13.094 1.504 1.00 0.00 O ATOM 944 CB SER A 72 -3.827 -15.124 -0.912 1.00 0.00 C ATOM 945 OG SER A 72 -4.087 -15.406 -2.269 1.00 0.00 O ATOM 0 H SER A 72 -1.952 -13.203 0.569 1.00 0.00 H new ATOM 0 HA SER A 72 -3.703 -13.137 -1.699 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.992 -15.728 -0.558 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.692 -15.387 -0.303 1.00 0.00 H new ATOM 0 HG SER A 72 -4.696 -14.730 -2.633 1.00 0.00 H new ATOM 951 N PHE A 73 -5.481 -12.376 -0.106 1.00 0.00 N ATOM 952 CA PHE A 73 -6.397 -11.737 0.817 1.00 0.00 C ATOM 953 C PHE A 73 -7.572 -11.144 0.052 1.00 0.00 C ATOM 954 O PHE A 73 -7.468 -10.882 -1.144 1.00 0.00 O ATOM 955 CB PHE A 73 -5.657 -10.654 1.598 1.00 0.00 C ATOM 956 CG PHE A 73 -4.924 -9.671 0.717 1.00 0.00 C ATOM 957 CD1 PHE A 73 -5.643 -8.735 -0.036 1.00 0.00 C ATOM 958 CD2 PHE A 73 -3.526 -9.697 0.652 1.00 0.00 C ATOM 959 CE1 PHE A 73 -4.963 -7.825 -0.854 1.00 0.00 C ATOM 960 CE2 PHE A 73 -2.846 -8.786 -0.166 1.00 0.00 C ATOM 961 CZ PHE A 73 -3.565 -7.850 -0.919 1.00 0.00 C ATOM 0 H PHE A 73 -5.749 -12.297 -1.087 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.784 -12.474 1.521 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.371 -10.112 2.218 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -4.944 -11.127 2.273 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.722 -8.715 0.014 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -2.972 -10.420 1.233 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.517 -7.103 -1.435 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -1.767 -8.806 -0.216 1.00 0.00 H new ATOM 0 HZ PHE A 73 -3.041 -7.147 -1.550 1.00 0.00 H new ATOM 971 N GLU A 74 -8.693 -10.931 0.746 1.00 0.00 N ATOM 972 CA GLU A 74 -9.877 -10.369 0.127 1.00 0.00 C ATOM 973 C GLU A 74 -9.565 -8.988 -0.432 1.00 0.00 C ATOM 974 O GLU A 74 -9.094 -8.114 0.293 1.00 0.00 O ATOM 975 CB GLU A 74 -11.000 -10.295 1.157 1.00 0.00 C ATOM 976 CG GLU A 74 -10.471 -9.670 2.444 1.00 0.00 C ATOM 977 CD GLU A 74 -10.519 -10.667 3.592 1.00 0.00 C ATOM 978 OE1 GLU A 74 -9.565 -11.470 3.687 1.00 0.00 O ATOM 979 OE2 GLU A 74 -11.508 -10.609 4.354 1.00 0.00 O ATOM 0 H GLU A 74 -8.797 -11.143 1.738 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.197 -11.006 -0.697 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.828 -9.703 0.766 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.389 -11.293 1.358 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.446 -9.331 2.294 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.063 -8.790 2.696 1.00 0.00 H new ATOM 986 N GLY A 75 -9.831 -8.791 -1.725 1.00 0.00 N ATOM 987 CA GLY A 75 -9.578 -7.517 -2.369 1.00 0.00 C ATOM 988 C GLY A 75 -10.737 -6.562 -2.122 1.00 0.00 C ATOM 989 O GLY A 75 -11.793 -6.690 -2.737 1.00 0.00 O ATOM 0 H GLY A 75 -10.222 -9.504 -2.341 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.654 -7.085 -1.986 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.441 -7.664 -3.440 1.00 0.00 H new ATOM 993 N PHE A 76 -10.537 -5.601 -1.217 1.00 0.00 N ATOM 994 CA PHE A 76 -11.565 -4.631 -0.895 1.00 0.00 C ATOM 995 C PHE A 76 -11.522 -3.483 -1.893 1.00 0.00 C ATOM 996 O PHE A 76 -10.669 -2.604 -1.796 1.00 0.00 O ATOM 997 CB PHE A 76 -11.353 -4.120 0.527 1.00 0.00 C ATOM 998 CG PHE A 76 -12.398 -4.604 1.504 1.00 0.00 C ATOM 999 CD1 PHE A 76 -12.435 -5.952 1.879 1.00 0.00 C ATOM 1000 CD2 PHE A 76 -13.329 -3.704 2.035 1.00 0.00 C ATOM 1001 CE1 PHE A 76 -13.403 -6.400 2.786 1.00 0.00 C ATOM 1002 CE2 PHE A 76 -14.297 -4.151 2.942 1.00 0.00 C ATOM 1003 CZ PHE A 76 -14.334 -5.500 3.318 1.00 0.00 C ATOM 0 H PHE A 76 -9.667 -5.481 -0.698 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.546 -5.101 -0.955 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -10.369 -4.435 0.875 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.354 -3.030 0.517 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -11.717 -6.647 1.469 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -13.301 -2.664 1.745 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -13.431 -7.440 3.075 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -15.015 -3.456 3.352 1.00 0.00 H new ATOM 0 HZ PHE A 76 -15.080 -5.845 4.018 1.00 0.00 H new ATOM 1013 N LEU A 77 -12.448 -3.491 -2.856 1.00 0.00 N ATOM 1014 CA LEU A 77 -12.512 -2.453 -3.865 1.00 0.00 C ATOM 1015 C LEU A 77 -12.646 -1.092 -3.198 1.00 0.00 C ATOM 1016 O LEU A 77 -13.479 -0.911 -2.312 1.00 0.00 O ATOM 1017 CB LEU A 77 -13.694 -2.719 -4.793 1.00 0.00 C ATOM 1018 CG LEU A 77 -14.216 -1.395 -5.343 1.00 0.00 C ATOM 1019 CD1 LEU A 77 -13.136 -0.736 -6.196 1.00 0.00 C ATOM 1020 CD2 LEU A 77 -15.454 -1.652 -6.197 1.00 0.00 C ATOM 0 H LEU A 77 -13.163 -4.212 -2.950 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.595 -2.457 -4.455 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -13.388 -3.370 -5.612 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.485 -3.238 -4.252 1.00 0.00 H new ATOM 0 HG LEU A 77 -14.476 -0.735 -4.515 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -13.509 0.210 -6.589 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.252 -0.552 -5.585 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.874 -1.395 -7.024 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -15.827 -0.706 -6.590 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -15.194 -2.312 -7.025 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -16.226 -2.121 -5.587 1.00 0.00 H new ATOM 1032 N PHE A 78 -11.822 -0.132 -3.625 1.00 0.00 N ATOM 1033 CA PHE A 78 -11.854 1.205 -3.067 1.00 0.00 C ATOM 1034 C PHE A 78 -13.292 1.702 -2.999 1.00 0.00 C ATOM 1035 O PHE A 78 -13.667 2.394 -2.055 1.00 0.00 O ATOM 1036 CB PHE A 78 -11.001 2.134 -3.926 1.00 0.00 C ATOM 1037 CG PHE A 78 -11.299 2.032 -5.403 1.00 0.00 C ATOM 1038 CD1 PHE A 78 -12.331 2.795 -5.964 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -10.542 1.177 -6.213 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -12.606 2.702 -7.333 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -10.817 1.084 -7.582 1.00 0.00 C ATOM 1042 CZ PHE A 78 -11.849 1.846 -8.142 1.00 0.00 C ATOM 0 H PHE A 78 -11.125 -0.265 -4.358 1.00 0.00 H new ATOM 0 HA PHE A 78 -11.447 1.191 -2.056 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -11.159 3.163 -3.602 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -9.948 1.905 -3.759 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -12.915 3.455 -5.340 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -9.746 0.589 -5.781 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -13.402 3.290 -7.765 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -10.233 0.424 -8.206 1.00 0.00 H new ATOM 0 HZ PHE A 78 -12.061 1.774 -9.198 1.00 0.00 H new ATOM 1052 N ASP A 79 -14.097 1.345 -4.002 1.00 0.00 N ATOM 1053 CA ASP A 79 -15.485 1.756 -4.051 1.00 0.00 C ATOM 1054 C ASP A 79 -16.205 1.287 -2.794 1.00 0.00 C ATOM 1055 O ASP A 79 -17.290 1.772 -2.481 1.00 0.00 O ATOM 1056 CB ASP A 79 -16.143 1.175 -5.299 1.00 0.00 C ATOM 1057 CG ASP A 79 -17.150 2.153 -5.888 1.00 0.00 C ATOM 1058 OD1 ASP A 79 -16.692 3.118 -6.536 1.00 0.00 O ATOM 1059 OD2 ASP A 79 -18.360 1.916 -5.678 1.00 0.00 O ATOM 0 H ASP A 79 -13.801 0.769 -4.790 1.00 0.00 H new ATOM 0 HA ASP A 79 -15.546 2.843 -4.097 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -15.380 0.941 -6.042 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -16.642 0.239 -5.049 1.00 0.00 H new ATOM 1064 N GLY A 80 -15.599 0.341 -2.073 1.00 0.00 N ATOM 1065 CA GLY A 80 -16.189 -0.184 -0.858 1.00 0.00 C ATOM 1066 C GLY A 80 -16.943 -1.473 -1.151 1.00 0.00 C ATOM 1067 O GLY A 80 -17.896 -1.811 -0.452 1.00 0.00 O ATOM 0 H GLY A 80 -14.699 -0.072 -2.317 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.410 -0.370 -0.119 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.868 0.552 -0.428 1.00 0.00 H new ATOM 1071 N THR A 81 -16.515 -2.194 -2.190 1.00 0.00 N ATOM 1072 CA THR A 81 -17.153 -3.439 -2.567 1.00 0.00 C ATOM 1073 C THR A 81 -16.183 -4.596 -2.378 1.00 0.00 C ATOM 1074 O THR A 81 -14.972 -4.421 -2.499 1.00 0.00 O ATOM 1075 CB THR A 81 -17.617 -3.354 -4.018 1.00 0.00 C ATOM 1076 OG1 THR A 81 -18.869 -2.707 -4.074 1.00 0.00 O ATOM 1077 CG2 THR A 81 -17.745 -4.760 -4.595 1.00 0.00 C ATOM 0 H THR A 81 -15.727 -1.929 -2.781 1.00 0.00 H new ATOM 0 HA THR A 81 -18.021 -3.613 -1.931 1.00 0.00 H new ATOM 0 HB THR A 81 -16.889 -2.788 -4.599 1.00 0.00 H new ATOM 0 HG1 THR A 81 -19.167 -2.651 -5.006 1.00 0.00 H new ATOM 0 HG21 THR A 81 -18.077 -4.699 -5.632 1.00 0.00 H new ATOM 0 HG22 THR A 81 -16.778 -5.260 -4.552 1.00 0.00 H new ATOM 0 HG23 THR A 81 -18.473 -5.327 -4.014 1.00 0.00 H new ATOM 1085 N ARG A 82 -16.718 -5.783 -2.082 1.00 0.00 N ATOM 1086 CA ARG A 82 -15.901 -6.962 -1.877 1.00 0.00 C ATOM 1087 C ARG A 82 -15.607 -7.624 -3.216 1.00 0.00 C ATOM 1088 O ARG A 82 -16.432 -8.374 -3.734 1.00 0.00 O ATOM 1089 CB ARG A 82 -16.626 -7.927 -0.944 1.00 0.00 C ATOM 1090 CG ARG A 82 -15.996 -7.862 0.444 1.00 0.00 C ATOM 1091 CD ARG A 82 -16.879 -8.610 1.439 1.00 0.00 C ATOM 1092 NE ARG A 82 -17.694 -7.680 2.221 1.00 0.00 N ATOM 1093 CZ ARG A 82 -18.495 -8.078 3.219 1.00 0.00 C ATOM 1094 NH1 ARG A 82 -18.573 -9.378 3.537 1.00 0.00 N ATOM 1095 NH2 ARG A 82 -19.218 -7.178 3.898 1.00 0.00 N ATOM 0 H ARG A 82 -17.720 -5.944 -1.980 1.00 0.00 H new ATOM 0 HA ARG A 82 -14.954 -6.678 -1.419 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -17.684 -7.670 -0.887 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -16.566 -8.943 -1.335 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -14.999 -8.302 0.424 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -15.879 -6.824 0.754 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -17.526 -9.305 0.905 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -16.256 -9.204 2.108 1.00 0.00 H new ATOM 0 HE ARG A 82 -17.651 -6.686 1.997 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -18.023 -10.064 3.019 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -19.182 -9.682 4.296 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -19.159 -6.189 3.656 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -19.827 -7.482 4.657 1.00 0.00 H new ATOM 1109 N TRP A 83 -14.428 -7.346 -3.777 1.00 0.00 N ATOM 1110 CA TRP A 83 -14.037 -7.919 -5.049 1.00 0.00 C ATOM 1111 C TRP A 83 -13.918 -9.431 -4.922 1.00 0.00 C ATOM 1112 O TRP A 83 -14.494 -10.171 -5.716 1.00 0.00 O ATOM 1113 CB TRP A 83 -12.711 -7.308 -5.494 1.00 0.00 C ATOM 1114 CG TRP A 83 -12.386 -7.496 -6.942 1.00 0.00 C ATOM 1115 CD1 TRP A 83 -11.804 -8.592 -7.475 1.00 0.00 C ATOM 1116 CD2 TRP A 83 -12.611 -6.582 -8.058 1.00 0.00 C ATOM 1117 NE1 TRP A 83 -11.654 -8.420 -8.835 1.00 0.00 N ATOM 1118 CE2 TRP A 83 -12.136 -7.195 -9.248 1.00 0.00 C ATOM 1119 CE3 TRP A 83 -13.167 -5.297 -8.186 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 -12.208 -6.570 -10.496 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 -13.245 -4.660 -9.433 1.00 0.00 C ATOM 1122 CH2 TRP A 83 -12.767 -5.292 -10.587 1.00 0.00 C ATOM 0 H TRP A 83 -13.732 -6.726 -3.363 1.00 0.00 H new ATOM 0 HA TRP A 83 -14.796 -7.698 -5.800 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -12.728 -6.240 -5.276 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -11.909 -7.742 -4.897 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -11.502 -9.469 -6.921 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -11.238 -9.112 -9.458 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -13.541 -4.791 -7.308 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -11.836 -7.068 -11.379 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -13.678 -3.673 -9.504 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -12.830 -4.794 -11.543 1.00 0.00 H new ATOM 1133 N GLY A 84 -13.167 -9.891 -3.918 1.00 0.00 N ATOM 1134 CA GLY A 84 -12.980 -11.311 -3.696 1.00 0.00 C ATOM 1135 C GLY A 84 -11.533 -11.600 -3.322 1.00 0.00 C ATOM 1136 O GLY A 84 -10.713 -10.687 -3.251 1.00 0.00 O ATOM 0 H GLY A 84 -12.681 -9.293 -3.250 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.643 -11.652 -2.901 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -13.248 -11.865 -4.595 1.00 0.00 H new ATOM 1140 N THR A 85 -11.220 -12.875 -3.083 1.00 0.00 N ATOM 1141 CA THR A 85 -9.875 -13.274 -2.720 1.00 0.00 C ATOM 1142 C THR A 85 -8.899 -12.867 -3.814 1.00 0.00 C ATOM 1143 O THR A 85 -9.163 -13.080 -4.996 1.00 0.00 O ATOM 1144 CB THR A 85 -9.836 -14.783 -2.494 1.00 0.00 C ATOM 1145 OG1 THR A 85 -11.152 -15.285 -2.451 1.00 0.00 O ATOM 1146 CG2 THR A 85 -9.133 -15.082 -1.173 1.00 0.00 C ATOM 0 H THR A 85 -11.887 -13.644 -3.137 1.00 0.00 H new ATOM 0 HA THR A 85 -9.582 -12.773 -1.797 1.00 0.00 H new ATOM 0 HB THR A 85 -9.292 -15.259 -3.310 1.00 0.00 H new ATOM 0 HG1 THR A 85 -11.128 -16.254 -2.308 1.00 0.00 H new ATOM 0 HG21 THR A 85 -9.105 -16.160 -1.011 1.00 0.00 H new ATOM 0 HG22 THR A 85 -8.115 -14.694 -1.206 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.676 -14.607 -0.356 1.00 0.00 H new ATOM 1154 N VAL A 86 -7.768 -12.279 -3.418 1.00 0.00 N ATOM 1155 CA VAL A 86 -6.759 -11.845 -4.364 1.00 0.00 C ATOM 1156 C VAL A 86 -5.487 -12.657 -4.168 1.00 0.00 C ATOM 1157 O VAL A 86 -5.196 -13.101 -3.059 1.00 0.00 O ATOM 1158 CB VAL A 86 -6.486 -10.356 -4.168 1.00 0.00 C ATOM 1159 CG1 VAL A 86 -5.121 -10.008 -4.754 1.00 0.00 C ATOM 1160 CG2 VAL A 86 -7.566 -9.544 -4.877 1.00 0.00 C ATOM 0 H VAL A 86 -7.535 -12.095 -2.442 1.00 0.00 H new ATOM 0 HA VAL A 86 -7.115 -12.004 -5.382 1.00 0.00 H new ATOM 0 HB VAL A 86 -6.495 -10.122 -3.104 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.925 -8.945 -4.614 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.349 -10.588 -4.248 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.112 -10.242 -5.819 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.372 -8.481 -4.738 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.557 -9.778 -5.942 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.541 -9.793 -4.459 1.00 0.00 H new ATOM 1170 N ASP A 87 -4.728 -12.851 -5.249 1.00 0.00 N ATOM 1171 CA ASP A 87 -3.494 -13.608 -5.190 1.00 0.00 C ATOM 1172 C ASP A 87 -2.314 -12.691 -5.477 1.00 0.00 C ATOM 1173 O ASP A 87 -1.965 -12.469 -6.634 1.00 0.00 O ATOM 1174 CB ASP A 87 -3.550 -14.750 -6.201 1.00 0.00 C ATOM 1175 CG ASP A 87 -3.996 -16.044 -5.535 1.00 0.00 C ATOM 1176 OD1 ASP A 87 -4.967 -15.973 -4.751 1.00 0.00 O ATOM 1177 OD2 ASP A 87 -3.358 -17.080 -5.824 1.00 0.00 O ATOM 0 H ASP A 87 -4.955 -12.489 -6.175 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.368 -14.029 -4.193 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.239 -14.495 -7.006 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.568 -14.889 -6.653 1.00 0.00 H new ATOM 1182 N CYS A 88 -1.698 -12.158 -4.418 1.00 0.00 N ATOM 1183 CA CYS A 88 -0.563 -11.270 -4.561 1.00 0.00 C ATOM 1184 C CYS A 88 0.504 -11.932 -5.421 1.00 0.00 C ATOM 1185 O CYS A 88 1.310 -11.249 -6.049 1.00 0.00 O ATOM 1186 CB CYS A 88 -0.009 -10.928 -3.180 1.00 0.00 C ATOM 1187 SG CYS A 88 -0.546 -9.318 -2.551 1.00 0.00 S ATOM 0 H CYS A 88 -1.975 -12.333 -3.452 1.00 0.00 H new ATOM 0 HA CYS A 88 -0.876 -10.348 -5.051 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -0.314 -11.702 -2.476 1.00 0.00 H new ATOM 0 HB3 CYS A 88 1.080 -10.946 -3.222 1.00 0.00 H new ATOM 1192 N THR A 89 0.509 -13.267 -5.448 1.00 0.00 N ATOM 1193 CA THR A 89 1.477 -14.008 -6.232 1.00 0.00 C ATOM 1194 C THR A 89 0.999 -14.124 -7.672 1.00 0.00 C ATOM 1195 O THR A 89 1.658 -14.750 -8.499 1.00 0.00 O ATOM 1196 CB THR A 89 1.676 -15.390 -5.616 1.00 0.00 C ATOM 1197 OG1 THR A 89 0.440 -16.067 -5.570 1.00 0.00 O ATOM 1198 CG2 THR A 89 2.228 -15.242 -4.201 1.00 0.00 C ATOM 0 H THR A 89 -0.151 -13.850 -4.932 1.00 0.00 H new ATOM 0 HA THR A 89 2.431 -13.481 -6.230 1.00 0.00 H new ATOM 0 HB THR A 89 2.380 -15.960 -6.223 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.568 -16.955 -5.176 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.370 -16.229 -3.761 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.184 -14.719 -4.236 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.525 -14.672 -3.594 1.00 0.00 H new ATOM 1206 N THR A 90 -0.151 -13.516 -7.971 1.00 0.00 N ATOM 1207 CA THR A 90 -0.707 -13.555 -9.309 1.00 0.00 C ATOM 1208 C THR A 90 -0.712 -12.156 -9.909 1.00 0.00 C ATOM 1209 O THR A 90 -0.644 -12.000 -11.126 1.00 0.00 O ATOM 1210 CB THR A 90 -2.121 -14.125 -9.255 1.00 0.00 C ATOM 1211 OG1 THR A 90 -2.057 -15.528 -9.127 1.00 0.00 O ATOM 1212 CG2 THR A 90 -2.865 -13.765 -10.538 1.00 0.00 C ATOM 0 H THR A 90 -0.710 -12.992 -7.298 1.00 0.00 H new ATOM 0 HA THR A 90 -0.094 -14.197 -9.942 1.00 0.00 H new ATOM 0 HB THR A 90 -2.649 -13.705 -8.399 1.00 0.00 H new ATOM 0 HG1 THR A 90 -2.965 -15.895 -9.090 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.875 -14.172 -10.499 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.915 -12.681 -10.638 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.337 -14.184 -11.395 1.00 0.00 H new ATOM 1220 N ALA A 91 -0.794 -11.138 -9.050 1.00 0.00 N ATOM 1221 CA ALA A 91 -0.809 -9.760 -9.497 1.00 0.00 C ATOM 1222 C ALA A 91 0.214 -8.952 -8.711 1.00 0.00 C ATOM 1223 O ALA A 91 0.900 -9.490 -7.845 1.00 0.00 O ATOM 1224 CB ALA A 91 -2.210 -9.182 -9.314 1.00 0.00 C ATOM 0 H ALA A 91 -0.851 -11.252 -8.038 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.546 -9.713 -10.554 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.223 -8.145 -9.650 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.922 -9.762 -9.901 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.487 -9.225 -8.261 1.00 0.00 H new ATOM 1230 N ALA A 92 0.316 -7.656 -9.017 1.00 0.00 N ATOM 1231 CA ALA A 92 1.254 -6.783 -8.341 1.00 0.00 C ATOM 1232 C ALA A 92 0.546 -6.033 -7.222 1.00 0.00 C ATOM 1233 O ALA A 92 -0.475 -5.388 -7.452 1.00 0.00 O ATOM 1234 CB ALA A 92 1.856 -5.808 -9.348 1.00 0.00 C ATOM 0 H ALA A 92 -0.246 -7.195 -9.733 1.00 0.00 H new ATOM 0 HA ALA A 92 2.057 -7.375 -7.903 1.00 0.00 H new ATOM 0 HB1 ALA A 92 2.562 -5.151 -8.841 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.375 -6.365 -10.128 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.062 -5.211 -9.796 1.00 0.00 H new ATOM 1240 N CYS A 93 1.090 -6.119 -6.006 1.00 0.00 N ATOM 1241 CA CYS A 93 0.510 -5.451 -4.858 1.00 0.00 C ATOM 1242 C CYS A 93 1.333 -4.220 -4.509 1.00 0.00 C ATOM 1243 O CYS A 93 2.525 -4.163 -4.805 1.00 0.00 O ATOM 1244 CB CYS A 93 0.457 -6.419 -3.680 1.00 0.00 C ATOM 1245 SG CYS A 93 -0.137 -8.073 -4.113 1.00 0.00 S ATOM 0 H CYS A 93 1.936 -6.650 -5.799 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.505 -5.130 -5.093 1.00 0.00 H new ATOM 0 HB2 CYS A 93 1.454 -6.504 -3.247 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -0.191 -6.002 -2.909 1.00 0.00 H new ATOM 1250 N GLN A 94 0.695 -3.232 -3.876 1.00 0.00 N ATOM 1251 CA GLN A 94 1.371 -2.009 -3.492 1.00 0.00 C ATOM 1252 C GLN A 94 0.734 -1.441 -2.232 1.00 0.00 C ATOM 1253 O GLN A 94 -0.465 -1.600 -2.014 1.00 0.00 O ATOM 1254 CB GLN A 94 1.292 -1.005 -4.638 1.00 0.00 C ATOM 1255 CG GLN A 94 0.164 -0.013 -4.370 1.00 0.00 C ATOM 1256 CD GLN A 94 -0.331 0.610 -5.667 1.00 0.00 C ATOM 1257 OE1 GLN A 94 0.388 0.626 -6.664 1.00 0.00 O ATOM 1258 NE2 GLN A 94 -1.562 1.126 -5.652 1.00 0.00 N ATOM 0 H GLN A 94 -0.292 -3.264 -3.622 1.00 0.00 H new ATOM 0 HA GLN A 94 2.420 -2.219 -3.281 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.240 -0.476 -4.738 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.117 -1.525 -5.580 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.660 -0.520 -3.868 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.515 0.769 -3.697 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -2.120 1.088 -4.799 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -1.944 1.558 -6.493 1.00 0.00 H new ATOM 1267 N VAL A 95 1.540 -0.776 -1.401 1.00 0.00 N ATOM 1268 CA VAL A 95 1.053 -0.188 -0.170 1.00 0.00 C ATOM 1269 C VAL A 95 0.749 1.288 -0.389 1.00 0.00 C ATOM 1270 O VAL A 95 1.196 1.876 -1.371 1.00 0.00 O ATOM 1271 CB VAL A 95 2.099 -0.367 0.927 1.00 0.00 C ATOM 1272 CG1 VAL A 95 1.810 0.602 2.069 1.00 0.00 C ATOM 1273 CG2 VAL A 95 2.046 -1.800 1.450 1.00 0.00 C ATOM 0 H VAL A 95 2.536 -0.636 -1.568 1.00 0.00 H new ATOM 0 HA VAL A 95 0.134 -0.687 0.137 1.00 0.00 H new ATOM 0 HB VAL A 95 3.090 -0.164 0.521 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.557 0.474 2.852 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.847 1.625 1.696 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.819 0.400 2.476 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.793 -1.929 2.234 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.055 -2.003 1.856 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.253 -2.493 0.634 1.00 0.00 H new ATOM 1283 N GLY A 96 -0.014 1.886 0.529 1.00 0.00 N ATOM 1284 CA GLY A 96 -0.370 3.287 0.426 1.00 0.00 C ATOM 1285 C GLY A 96 -1.103 3.738 1.682 1.00 0.00 C ATOM 1286 O GLY A 96 -1.660 2.917 2.408 1.00 0.00 O ATOM 0 H GLY A 96 -0.393 1.414 1.350 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.528 3.888 0.285 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -1.001 3.446 -0.449 1.00 0.00 H new ATOM 1290 N LEU A 97 -1.100 5.048 1.938 1.00 0.00 N ATOM 1291 CA LEU A 97 -1.763 5.602 3.102 1.00 0.00 C ATOM 1292 C LEU A 97 -2.427 6.922 2.739 1.00 0.00 C ATOM 1293 O LEU A 97 -1.842 7.740 2.031 1.00 0.00 O ATOM 1294 CB LEU A 97 -0.743 5.799 4.221 1.00 0.00 C ATOM 1295 CG LEU A 97 0.157 6.984 3.885 1.00 0.00 C ATOM 1296 CD1 LEU A 97 0.537 7.714 5.170 1.00 0.00 C ATOM 1297 CD2 LEU A 97 1.420 6.484 3.192 1.00 0.00 C ATOM 0 H LEU A 97 -0.641 5.741 1.347 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.535 4.914 3.448 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.255 5.974 5.167 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.144 4.897 4.345 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.374 7.667 3.222 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.180 8.561 4.931 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.365 8.072 5.665 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.068 7.031 5.833 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.063 7.331 2.952 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.952 5.801 3.854 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.149 5.963 2.274 1.00 0.00 H new ATOM 1309 N SER A 98 -3.652 7.130 3.228 1.00 0.00 N ATOM 1310 CA SER A 98 -4.386 8.349 2.954 1.00 0.00 C ATOM 1311 C SER A 98 -4.898 8.947 4.256 1.00 0.00 C ATOM 1312 O SER A 98 -5.113 8.229 5.230 1.00 0.00 O ATOM 1313 CB SER A 98 -5.543 8.043 2.007 1.00 0.00 C ATOM 1314 OG SER A 98 -5.138 8.280 0.678 1.00 0.00 O ATOM 0 H SER A 98 -4.150 6.462 3.817 1.00 0.00 H new ATOM 0 HA SER A 98 -3.727 9.076 2.479 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.857 7.006 2.123 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.403 8.666 2.253 1.00 0.00 H new ATOM 0 HG SER A 98 -5.880 8.082 0.070 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.095 10.267 4.272 1.00 0.00 N ATOM 1321 CA ASP A 99 -5.580 10.954 5.452 1.00 0.00 C ATOM 1322 C ASP A 99 -7.081 11.180 5.336 1.00 0.00 C ATOM 1323 O ASP A 99 -7.735 10.586 4.482 1.00 0.00 O ATOM 1324 CB ASP A 99 -4.843 12.281 5.606 1.00 0.00 C ATOM 1325 CG ASP A 99 -5.639 13.420 4.985 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.913 13.324 3.769 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -5.957 14.367 5.737 1.00 0.00 O ATOM 0 H ASP A 99 -4.923 10.877 3.473 1.00 0.00 H new ATOM 0 HA ASP A 99 -5.392 10.345 6.336 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -4.672 12.486 6.663 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -3.864 12.215 5.131 1.00 0.00 H new ATOM 1332 N ALA A 100 -7.625 12.043 6.197 1.00 0.00 N ATOM 1333 CA ALA A 100 -9.043 12.342 6.187 1.00 0.00 C ATOM 1334 C ALA A 100 -9.442 12.904 4.830 1.00 0.00 C ATOM 1335 O ALA A 100 -10.405 12.441 4.224 1.00 0.00 O ATOM 1336 CB ALA A 100 -9.360 13.337 7.299 1.00 0.00 C ATOM 0 H ALA A 100 -7.095 12.545 6.910 1.00 0.00 H new ATOM 0 HA ALA A 100 -9.612 11.429 6.361 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -10.426 13.563 7.292 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.086 12.906 8.262 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.794 14.255 7.138 1.00 0.00 H new ATOM 1342 N ALA A 101 -8.697 13.904 4.355 1.00 0.00 N ATOM 1343 CA ALA A 101 -8.977 14.524 3.075 1.00 0.00 C ATOM 1344 C ALA A 101 -8.667 13.547 1.950 1.00 0.00 C ATOM 1345 O ALA A 101 -9.226 13.654 0.861 1.00 0.00 O ATOM 1346 CB ALA A 101 -8.143 15.794 2.933 1.00 0.00 C ATOM 0 H ALA A 101 -7.894 14.297 4.846 1.00 0.00 H new ATOM 0 HA ALA A 101 -10.033 14.790 3.018 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -8.353 16.261 1.971 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.396 16.487 3.736 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.084 15.542 2.991 1.00 0.00 H new ATOM 1352 N GLY A 102 -7.773 12.591 2.215 1.00 0.00 N ATOM 1353 CA GLY A 102 -7.398 11.604 1.222 1.00 0.00 C ATOM 1354 C GLY A 102 -6.065 11.975 0.588 1.00 0.00 C ATOM 1355 O GLY A 102 -5.895 11.852 -0.623 1.00 0.00 O ATOM 0 H GLY A 102 -7.300 12.487 3.113 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -7.327 10.620 1.686 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -8.169 11.539 0.454 1.00 0.00 H new ATOM 1359 N ASN A 103 -5.117 12.431 1.410 1.00 0.00 N ATOM 1360 CA ASN A 103 -3.807 12.816 0.925 1.00 0.00 C ATOM 1361 C ASN A 103 -2.733 11.990 1.618 1.00 0.00 C ATOM 1362 O ASN A 103 -3.038 11.169 2.481 1.00 0.00 O ATOM 1363 CB ASN A 103 -3.590 14.305 1.178 1.00 0.00 C ATOM 1364 CG ASN A 103 -4.076 14.697 2.567 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -5.039 15.448 2.700 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -3.408 14.183 3.602 1.00 0.00 N ATOM 0 H ASN A 103 -5.241 12.540 2.417 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.744 12.628 -0.147 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -2.531 14.544 1.078 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -4.121 14.887 0.425 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -3.691 14.410 4.555 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -2.614 13.564 3.440 1.00 0.00 H new ATOM 1373 N GLY A 104 -1.472 12.208 1.240 1.00 0.00 N ATOM 1374 CA GLY A 104 -0.364 11.482 1.829 1.00 0.00 C ATOM 1375 C GLY A 104 0.623 11.060 0.750 1.00 0.00 C ATOM 1376 O GLY A 104 0.456 11.405 -0.418 1.00 0.00 O ATOM 0 H GLY A 104 -1.200 12.885 0.527 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.139 12.107 2.567 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.735 10.603 2.356 1.00 0.00 H new ATOM 1380 N PRO A 105 1.654 10.309 1.144 1.00 0.00 N ATOM 1381 CA PRO A 105 2.688 9.815 0.260 1.00 0.00 C ATOM 1382 C PRO A 105 2.124 8.705 -0.615 1.00 0.00 C ATOM 1383 O PRO A 105 1.438 7.812 -0.124 1.00 0.00 O ATOM 1384 CB PRO A 105 3.775 9.280 1.190 1.00 0.00 C ATOM 1385 CG PRO A 105 2.980 8.829 2.415 1.00 0.00 C ATOM 1386 CD PRO A 105 1.881 9.885 2.508 1.00 0.00 C ATOM 0 HA PRO A 105 3.076 10.582 -0.410 1.00 0.00 H new ATOM 0 HB2 PRO A 105 4.324 8.454 0.738 1.00 0.00 H new ATOM 0 HB3 PRO A 105 4.506 10.048 1.442 1.00 0.00 H new ATOM 0 HG2 PRO A 105 2.570 7.828 2.285 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.597 8.807 3.313 1.00 0.00 H new ATOM 0 HD2 PRO A 105 0.974 9.473 2.949 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.189 10.721 3.135 1.00 0.00 H new ATOM 1394 N GLU A 106 2.414 8.764 -1.917 1.00 0.00 N ATOM 1395 CA GLU A 106 1.934 7.764 -2.850 1.00 0.00 C ATOM 1396 C GLU A 106 3.053 7.357 -3.798 1.00 0.00 C ATOM 1397 O GLU A 106 3.875 8.186 -4.184 1.00 0.00 O ATOM 1398 CB GLU A 106 0.745 8.325 -3.626 1.00 0.00 C ATOM 1399 CG GLU A 106 0.856 7.917 -5.092 1.00 0.00 C ATOM 1400 CD GLU A 106 -0.396 8.310 -5.862 1.00 0.00 C ATOM 1401 OE1 GLU A 106 -1.451 7.704 -5.578 1.00 0.00 O ATOM 1402 OE2 GLU A 106 -0.274 9.211 -6.721 1.00 0.00 O ATOM 0 H GLU A 106 2.980 9.498 -2.341 1.00 0.00 H new ATOM 0 HA GLU A 106 1.611 6.878 -2.303 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -0.188 7.952 -3.203 1.00 0.00 H new ATOM 0 HB3 GLU A 106 0.721 9.411 -3.541 1.00 0.00 H new ATOM 0 HG2 GLU A 106 1.728 8.393 -5.541 1.00 0.00 H new ATOM 0 HG3 GLU A 106 1.008 6.840 -5.163 1.00 0.00 H new ATOM 1409 N GLY A 107 3.084 6.077 -4.174 1.00 0.00 N ATOM 1410 CA GLY A 107 4.102 5.572 -5.073 1.00 0.00 C ATOM 1411 C GLY A 107 4.850 4.414 -4.427 1.00 0.00 C ATOM 1412 O GLY A 107 6.064 4.478 -4.250 1.00 0.00 O ATOM 0 H GLY A 107 2.410 5.376 -3.864 1.00 0.00 H new ATOM 0 HA2 GLY A 107 3.643 5.242 -6.005 1.00 0.00 H new ATOM 0 HA3 GLY A 107 4.801 6.369 -5.326 1.00 0.00 H new ATOM 1416 N VAL A 108 4.119 3.353 -4.075 1.00 0.00 N ATOM 1417 CA VAL A 108 4.714 2.188 -3.452 1.00 0.00 C ATOM 1418 C VAL A 108 4.197 0.924 -4.124 1.00 0.00 C ATOM 1419 O VAL A 108 3.088 0.478 -3.841 1.00 0.00 O ATOM 1420 CB VAL A 108 4.381 2.184 -1.962 1.00 0.00 C ATOM 1421 CG1 VAL A 108 4.683 0.807 -1.377 1.00 0.00 C ATOM 1422 CG2 VAL A 108 5.226 3.236 -1.250 1.00 0.00 C ATOM 0 H VAL A 108 3.111 3.286 -4.215 1.00 0.00 H new ATOM 0 HA VAL A 108 5.797 2.220 -3.569 1.00 0.00 H new ATOM 0 HB VAL A 108 3.324 2.413 -1.825 1.00 0.00 H new ATOM 0 HG11 VAL A 108 4.445 0.804 -0.313 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.080 0.055 -1.886 1.00 0.00 H new ATOM 0 HG13 VAL A 108 5.740 0.577 -1.514 1.00 0.00 H new ATOM 0 HG21 VAL A 108 4.989 3.234 -0.186 1.00 0.00 H new ATOM 0 HG22 VAL A 108 6.283 3.007 -1.387 1.00 0.00 H new ATOM 0 HG23 VAL A 108 5.011 4.219 -1.668 1.00 0.00 H new ATOM 1432 N ALA A 109 5.005 0.348 -5.016 1.00 0.00 N ATOM 1433 CA ALA A 109 4.626 -0.859 -5.723 1.00 0.00 C ATOM 1434 C ALA A 109 5.251 -2.071 -5.046 1.00 0.00 C ATOM 1435 O ALA A 109 6.288 -1.956 -4.397 1.00 0.00 O ATOM 1436 CB ALA A 109 5.079 -0.759 -7.177 1.00 0.00 C ATOM 0 H ALA A 109 5.928 0.706 -5.261 1.00 0.00 H new ATOM 0 HA ALA A 109 3.542 -0.973 -5.700 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.795 -1.666 -7.710 1.00 0.00 H new ATOM 0 HB2 ALA A 109 4.604 0.102 -7.648 1.00 0.00 H new ATOM 0 HB3 ALA A 109 6.162 -0.641 -7.213 1.00 0.00 H new ATOM 1442 N ILE A 110 4.615 -3.235 -5.198 1.00 0.00 N ATOM 1443 CA ILE A 110 5.109 -4.461 -4.604 1.00 0.00 C ATOM 1444 C ILE A 110 5.349 -5.500 -5.691 1.00 0.00 C ATOM 1445 O ILE A 110 4.823 -5.378 -6.795 1.00 0.00 O ATOM 1446 CB ILE A 110 4.099 -4.972 -3.580 1.00 0.00 C ATOM 1447 CG1 ILE A 110 3.237 -3.812 -3.092 1.00 0.00 C ATOM 1448 CG2 ILE A 110 4.842 -5.587 -2.397 1.00 0.00 C ATOM 1449 CD1 ILE A 110 2.666 -4.145 -1.717 1.00 0.00 C ATOM 0 H ILE A 110 3.753 -3.345 -5.732 1.00 0.00 H new ATOM 0 HA ILE A 110 6.055 -4.270 -4.097 1.00 0.00 H new ATOM 0 HB ILE A 110 3.463 -5.727 -4.042 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.832 -2.900 -3.039 1.00 0.00 H new ATOM 0 HG13 ILE A 110 2.428 -3.624 -3.798 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.122 -5.952 -1.665 1.00 0.00 H new ATOM 0 HG22 ILE A 110 5.458 -6.416 -2.745 1.00 0.00 H new ATOM 0 HG23 ILE A 110 5.478 -4.832 -1.935 1.00 0.00 H new ATOM 0 HD11 ILE A 110 2.050 -3.316 -1.368 1.00 0.00 H new ATOM 0 HD12 ILE A 110 2.057 -5.046 -1.785 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.483 -4.311 -1.014 1.00 0.00 H new ATOM 1461 N SER A 111 6.147 -6.523 -5.376 1.00 0.00 N ATOM 1462 CA SER A 111 6.450 -7.575 -6.326 1.00 0.00 C ATOM 1463 C SER A 111 6.669 -8.888 -5.589 1.00 0.00 C ATOM 1464 O SER A 111 7.598 -9.008 -4.793 1.00 0.00 O ATOM 1465 CB SER A 111 7.689 -7.192 -7.129 1.00 0.00 C ATOM 1466 OG SER A 111 7.416 -7.326 -8.506 1.00 0.00 O ATOM 0 H SER A 111 6.592 -6.638 -4.465 1.00 0.00 H new ATOM 0 HA SER A 111 5.613 -7.703 -7.013 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.979 -6.166 -6.903 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.528 -7.829 -6.850 1.00 0.00 H new ATOM 0 HG SER A 111 8.211 -7.078 -9.023 1.00 0.00 H new ATOM 1472 N PHE A 112 5.812 -9.876 -5.857 1.00 0.00 N ATOM 1473 CA PHE A 112 5.919 -11.173 -5.219 1.00 0.00 C ATOM 1474 C PHE A 112 6.711 -12.121 -6.108 1.00 0.00 C ATOM 1475 O PHE A 112 6.401 -12.276 -7.287 1.00 0.00 O ATOM 1476 CB PHE A 112 4.521 -11.723 -4.951 1.00 0.00 C ATOM 1477 CG PHE A 112 3.660 -10.802 -4.121 1.00 0.00 C ATOM 1478 CD1 PHE A 112 3.048 -9.691 -4.714 1.00 0.00 C ATOM 1479 CD2 PHE A 112 3.471 -11.061 -2.758 1.00 0.00 C ATOM 1480 CE1 PHE A 112 2.248 -8.839 -3.944 1.00 0.00 C ATOM 1481 CE2 PHE A 112 2.670 -10.208 -1.988 1.00 0.00 C ATOM 1482 CZ PHE A 112 2.059 -9.097 -2.581 1.00 0.00 C ATOM 0 H PHE A 112 5.037 -9.794 -6.515 1.00 0.00 H new ATOM 0 HA PHE A 112 6.444 -11.074 -4.269 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.025 -11.911 -5.903 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.608 -12.683 -4.442 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.193 -9.492 -5.765 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.943 -11.918 -2.301 1.00 0.00 H new ATOM 0 HE1 PHE A 112 1.776 -7.982 -4.402 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.524 -10.408 -0.937 1.00 0.00 H new ATOM 0 HZ PHE A 112 1.442 -8.439 -1.987 1.00 0.00 H new ATOM 1492 N ASN A 113 7.738 -12.758 -5.539 1.00 0.00 N ATOM 1493 CA ASN A 113 8.566 -13.686 -6.282 1.00 0.00 C ATOM 1494 C ASN A 113 8.882 -13.115 -7.657 1.00 0.00 C ATOM 1495 O ASN A 113 10.045 -13.029 -8.044 1.00 0.00 O ATOM 1496 CB ASN A 113 7.842 -15.024 -6.406 1.00 0.00 C ATOM 1497 CG ASN A 113 6.625 -14.901 -7.311 1.00 0.00 C ATOM 1498 OD1 ASN A 113 6.735 -15.049 -8.526 1.00 0.00 O ATOM 1499 ND2 ASN A 113 5.461 -14.631 -6.716 1.00 0.00 N ATOM 0 H ASN A 113 8.009 -12.641 -4.563 1.00 0.00 H new ATOM 0 HA ASN A 113 9.506 -13.842 -5.753 1.00 0.00 H new ATOM 0 HB2 ASN A 113 8.523 -15.775 -6.806 1.00 0.00 H new ATOM 0 HB3 ASN A 113 7.533 -15.368 -5.419 1.00 0.00 H new ATOM 0 HD21 ASN A 113 4.612 -14.539 -7.274 1.00 0.00 H new ATOM 0 HD22 ASN A 113 5.420 -14.517 -5.703 1.00 0.00 H new TER 1506 ASN A 113