USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=28 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 NoAdj-H: A 33 ASP H : A 33 ASP N : A 98 SER N :(H bumps) USER MOD NoAdj-H: A 98 SER H : A 98 SER N : A 33 ASP N :(H bumps) USER MOD Set 1.1: A 27 GLN : amide:sc= -8.53! C(o=-26!,f=-23!) USER MOD Set 1.2: A 32 TYR OH : rot -30:sc= 0.177 USER MOD Set 1.3: A 103 ASN : amide:sc= -17.2! C(o=-26!,f=-26!) USER MOD Set 2.1: A 37 CYS SG : rot -136:sc= -9.16! USER MOD Set 2.2: A 47 CYS SG : rot -88:sc= -9.39! USER MOD Single : A 1 ALA N :NH3+ 145:sc= 0.0195 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -1.13 USER MOD Single : A 8 THR OG1 : rot -138:sc= -5.63! USER MOD Single : A 10 SER OG : rot 54:sc= -8.19! USER MOD Single : A 11 SER OG : rot -12:sc= 0.998 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 93:sc= 1.22 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -160:sc= -0.0849 USER MOD Single : A 36 GLN : amide:sc= -18! C(o=-18!,f=-15!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -5.51! C(o=-5.5!,f=-21!) USER MOD Single : A 53 SER OG : rot 180:sc= -0.164 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 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot 27:sc= 0.714 USER MOD Single : A 64 SER OG : rot 180:sc= -0.276 USER MOD Single : A 65 THR OG1 : rot 50:sc= -0.46 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 84:sc= -4.46! USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0769 USER MOD Single : A 89 THR OG1 : rot -22:sc= 0.75 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 98 SER OG : rot -135:sc= -17.4! USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -0.845 K(o=-0.84,f=-0.0041) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.650 14.632 -5.480 1.00 0.00 N ATOM 2 CA ALA A 1 2.096 14.608 -5.561 1.00 0.00 C ATOM 3 C ALA A 1 2.640 13.457 -4.727 1.00 0.00 C ATOM 4 O ALA A 1 2.154 13.199 -3.628 1.00 0.00 O ATOM 5 CB ALA A 1 2.654 15.941 -5.071 1.00 0.00 C ATOM 0 H1 ALA A 1 0.318 15.617 -5.497 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.248 14.117 -6.290 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.344 14.179 -4.595 1.00 0.00 H new ATOM 0 HA ALA A 1 2.404 14.458 -6.596 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.742 15.924 -5.131 1.00 0.00 H new ATOM 0 HB2 ALA A 1 2.268 16.748 -5.694 1.00 0.00 H new ATOM 0 HB3 ALA A 1 2.351 16.104 -4.037 1.00 0.00 H new ATOM 11 N ALA A 2 3.652 12.763 -5.253 1.00 0.00 N ATOM 12 CA ALA A 2 4.255 11.644 -4.558 1.00 0.00 C ATOM 13 C ALA A 2 5.561 12.082 -3.910 1.00 0.00 C ATOM 14 O ALA A 2 6.517 12.421 -4.604 1.00 0.00 O ATOM 15 CB ALA A 2 4.496 10.504 -5.544 1.00 0.00 C ATOM 0 H ALA A 2 4.066 12.965 -6.163 1.00 0.00 H new ATOM 0 HA ALA A 2 3.584 11.293 -3.774 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.950 9.661 -5.022 1.00 0.00 H new ATOM 0 HB2 ALA A 2 3.546 10.193 -5.979 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.164 10.843 -6.336 1.00 0.00 H new ATOM 21 N PRO A 3 5.599 12.075 -2.576 1.00 0.00 N ATOM 22 CA PRO A 3 6.753 12.458 -1.791 1.00 0.00 C ATOM 23 C PRO A 3 7.823 11.381 -1.898 1.00 0.00 C ATOM 24 O PRO A 3 7.643 10.392 -2.604 1.00 0.00 O ATOM 25 CB PRO A 3 6.232 12.572 -0.359 1.00 0.00 C ATOM 26 CG PRO A 3 5.094 11.552 -0.331 1.00 0.00 C ATOM 27 CD PRO A 3 4.493 11.682 -1.729 1.00 0.00 C ATOM 0 HA PRO A 3 7.205 13.391 -2.128 1.00 0.00 H new ATOM 0 HB2 PRO A 3 7.005 12.336 0.373 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.879 13.579 -0.136 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.459 10.543 -0.139 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.365 11.780 0.446 1.00 0.00 H new ATOM 0 HD2 PRO A 3 4.057 10.740 -2.061 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.697 12.426 -1.749 1.00 0.00 H new ATOM 35 N THR A 4 8.941 11.575 -1.195 1.00 0.00 N ATOM 36 CA THR A 4 10.031 10.620 -1.218 1.00 0.00 C ATOM 37 C THR A 4 9.982 9.748 0.028 1.00 0.00 C ATOM 38 O THR A 4 10.216 10.227 1.135 1.00 0.00 O ATOM 39 CB THR A 4 11.359 11.367 -1.303 1.00 0.00 C ATOM 40 OG1 THR A 4 12.285 10.596 -2.035 1.00 0.00 O ATOM 41 CG2 THR A 4 11.898 11.609 0.104 1.00 0.00 C ATOM 0 H THR A 4 9.107 12.389 -0.604 1.00 0.00 H new ATOM 0 HA THR A 4 9.935 9.975 -2.091 1.00 0.00 H new ATOM 0 HB THR A 4 11.207 12.324 -1.803 1.00 0.00 H new ATOM 0 HG1 THR A 4 13.138 11.076 -2.092 1.00 0.00 H new ATOM 0 HG21 THR A 4 12.847 12.143 0.043 1.00 0.00 H new ATOM 0 HG22 THR A 4 11.182 12.205 0.670 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.051 10.653 0.605 1.00 0.00 H new ATOM 49 N ALA A 5 9.677 8.461 -0.155 1.00 0.00 N ATOM 50 CA ALA A 5 9.598 7.529 0.951 1.00 0.00 C ATOM 51 C ALA A 5 10.506 6.336 0.686 1.00 0.00 C ATOM 52 O ALA A 5 10.883 6.083 -0.456 1.00 0.00 O ATOM 53 CB ALA A 5 8.152 7.078 1.133 1.00 0.00 C ATOM 0 H ALA A 5 9.481 8.048 -1.067 1.00 0.00 H new ATOM 0 HA ALA A 5 9.930 8.017 1.867 1.00 0.00 H new ATOM 0 HB1 ALA A 5 8.092 6.377 1.965 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.524 7.944 1.342 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.805 6.591 0.222 1.00 0.00 H new ATOM 59 N THR A 6 10.857 5.603 1.745 1.00 0.00 N ATOM 60 CA THR A 6 11.717 4.444 1.616 1.00 0.00 C ATOM 61 C THR A 6 11.034 3.223 2.215 1.00 0.00 C ATOM 62 O THR A 6 10.727 3.201 3.405 1.00 0.00 O ATOM 63 CB THR A 6 13.046 4.718 2.315 1.00 0.00 C ATOM 64 OG1 THR A 6 12.810 5.425 3.512 1.00 0.00 O ATOM 65 CG2 THR A 6 13.940 5.550 1.400 1.00 0.00 C ATOM 0 H THR A 6 10.554 5.799 2.699 1.00 0.00 H new ATOM 0 HA THR A 6 11.909 4.245 0.562 1.00 0.00 H new ATOM 0 HB THR A 6 13.539 3.773 2.542 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.663 5.600 3.962 1.00 0.00 H new ATOM 0 HG21 THR A 6 14.889 5.746 1.899 1.00 0.00 H new ATOM 0 HG22 THR A 6 14.122 5.004 0.475 1.00 0.00 H new ATOM 0 HG23 THR A 6 13.448 6.496 1.172 1.00 0.00 H new ATOM 73 N VAL A 7 10.798 2.204 1.386 1.00 0.00 N ATOM 74 CA VAL A 7 10.154 0.985 1.835 1.00 0.00 C ATOM 75 C VAL A 7 11.112 -0.188 1.686 1.00 0.00 C ATOM 76 O VAL A 7 12.020 -0.149 0.859 1.00 0.00 O ATOM 77 CB VAL A 7 8.884 0.753 1.023 1.00 0.00 C ATOM 78 CG1 VAL A 7 9.024 1.417 -0.344 1.00 0.00 C ATOM 79 CG2 VAL A 7 8.665 -0.746 0.839 1.00 0.00 C ATOM 0 H VAL A 7 11.048 2.207 0.397 1.00 0.00 H new ATOM 0 HA VAL A 7 9.884 1.077 2.887 1.00 0.00 H new ATOM 0 HB VAL A 7 8.033 1.184 1.550 1.00 0.00 H new ATOM 0 HG11 VAL A 7 8.116 1.251 -0.924 1.00 0.00 H new ATOM 0 HG12 VAL A 7 9.181 2.488 -0.214 1.00 0.00 H new ATOM 0 HG13 VAL A 7 9.875 0.987 -0.872 1.00 0.00 H new ATOM 0 HG21 VAL A 7 7.757 -0.913 0.259 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.517 -1.176 0.312 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.564 -1.221 1.815 1.00 0.00 H new ATOM 89 N THR A 8 10.909 -1.234 2.490 1.00 0.00 N ATOM 90 CA THR A 8 11.755 -2.409 2.440 1.00 0.00 C ATOM 91 C THR A 8 11.557 -3.134 1.117 1.00 0.00 C ATOM 92 O THR A 8 10.701 -2.756 0.320 1.00 0.00 O ATOM 93 CB THR A 8 11.423 -3.325 3.614 1.00 0.00 C ATOM 94 OG1 THR A 8 12.613 -3.879 4.129 1.00 0.00 O ATOM 95 CG2 THR A 8 10.503 -4.447 3.139 1.00 0.00 C ATOM 0 H THR A 8 10.162 -1.283 3.182 1.00 0.00 H new ATOM 0 HA THR A 8 12.801 -2.111 2.513 1.00 0.00 H new ATOM 0 HB THR A 8 10.923 -2.750 4.394 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.471 -4.827 4.334 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.265 -5.102 3.977 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.583 -4.019 2.741 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.003 -5.022 2.360 1.00 0.00 H new ATOM 103 N PRO A 9 12.352 -4.182 0.885 1.00 0.00 N ATOM 104 CA PRO A 9 12.306 -4.991 -0.314 1.00 0.00 C ATOM 105 C PRO A 9 11.053 -5.855 -0.299 1.00 0.00 C ATOM 106 O PRO A 9 10.878 -6.683 0.592 1.00 0.00 O ATOM 107 CB PRO A 9 13.565 -5.852 -0.254 1.00 0.00 C ATOM 108 CG PRO A 9 13.793 -6.013 1.249 1.00 0.00 C ATOM 109 CD PRO A 9 13.368 -4.654 1.800 1.00 0.00 C ATOM 0 HA PRO A 9 12.271 -4.396 -1.226 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.421 -6.814 -0.747 1.00 0.00 H new ATOM 0 HB3 PRO A 9 14.411 -5.367 -0.742 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.195 -6.824 1.665 1.00 0.00 H new ATOM 0 HG3 PRO A 9 14.835 -6.235 1.479 1.00 0.00 H new ATOM 0 HD2 PRO A 9 12.976 -4.744 2.813 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.211 -3.964 1.844 1.00 0.00 H new ATOM 117 N SER A 10 10.179 -5.659 -1.289 1.00 0.00 N ATOM 118 CA SER A 10 8.949 -6.420 -1.383 1.00 0.00 C ATOM 119 C SER A 10 8.960 -7.267 -2.648 1.00 0.00 C ATOM 120 O SER A 10 7.994 -7.265 -3.407 1.00 0.00 O ATOM 121 CB SER A 10 7.759 -5.464 -1.382 1.00 0.00 C ATOM 122 OG SER A 10 7.553 -4.971 -2.687 1.00 0.00 O ATOM 0 H SER A 10 10.309 -4.976 -2.035 1.00 0.00 H new ATOM 0 HA SER A 10 8.864 -7.087 -0.525 1.00 0.00 H new ATOM 0 HB2 SER A 10 6.865 -5.979 -1.031 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.942 -4.638 -0.694 1.00 0.00 H new ATOM 0 HG SER A 10 7.473 -5.722 -3.311 1.00 0.00 H new ATOM 128 N SER A 11 10.058 -7.992 -2.873 1.00 0.00 N ATOM 129 CA SER A 11 10.188 -8.839 -4.041 1.00 0.00 C ATOM 130 C SER A 11 10.550 -10.255 -3.615 1.00 0.00 C ATOM 131 O SER A 11 11.691 -10.521 -3.245 1.00 0.00 O ATOM 132 CB SER A 11 11.253 -8.264 -4.970 1.00 0.00 C ATOM 133 OG SER A 11 12.531 -8.635 -4.504 1.00 0.00 O ATOM 0 H SER A 11 10.868 -8.003 -2.254 1.00 0.00 H new ATOM 0 HA SER A 11 9.239 -8.874 -4.576 1.00 0.00 H new ATOM 0 HB2 SER A 11 11.103 -8.632 -5.985 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.169 -7.178 -5.009 1.00 0.00 H new ATOM 0 HG SER A 11 12.455 -9.002 -3.598 1.00 0.00 H new ATOM 139 N GLY A 12 9.575 -11.166 -3.669 1.00 0.00 N ATOM 140 CA GLY A 12 9.801 -12.546 -3.290 1.00 0.00 C ATOM 141 C GLY A 12 9.524 -12.737 -1.805 1.00 0.00 C ATOM 142 O GLY A 12 10.118 -13.603 -1.166 1.00 0.00 O ATOM 0 H GLY A 12 8.623 -10.963 -3.973 1.00 0.00 H new ATOM 0 HA2 GLY A 12 9.156 -13.201 -3.875 1.00 0.00 H new ATOM 0 HA3 GLY A 12 10.830 -12.828 -3.515 1.00 0.00 H new ATOM 146 N LEU A 13 8.618 -11.924 -1.257 1.00 0.00 N ATOM 147 CA LEU A 13 8.266 -12.006 0.147 1.00 0.00 C ATOM 148 C LEU A 13 7.032 -12.881 0.320 1.00 0.00 C ATOM 149 O LEU A 13 6.052 -12.726 -0.406 1.00 0.00 O ATOM 150 CB LEU A 13 8.014 -10.603 0.690 1.00 0.00 C ATOM 151 CG LEU A 13 9.082 -9.652 0.158 1.00 0.00 C ATOM 152 CD1 LEU A 13 9.414 -8.611 1.223 1.00 0.00 C ATOM 153 CD2 LEU A 13 10.340 -10.444 -0.189 1.00 0.00 C ATOM 0 H LEU A 13 8.117 -11.201 -1.774 1.00 0.00 H new ATOM 0 HA LEU A 13 9.087 -12.456 0.706 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.024 -10.258 0.392 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.032 -10.615 1.780 1.00 0.00 H new ATOM 0 HG LEU A 13 8.709 -9.151 -0.735 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.177 -7.932 0.843 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.516 -8.045 1.471 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.787 -9.111 2.117 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.104 -9.766 -0.569 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.712 -10.945 0.704 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.104 -11.187 -0.950 1.00 0.00 H new ATOM 165 N SER A 14 7.082 -13.802 1.285 1.00 0.00 N ATOM 166 CA SER A 14 5.970 -14.693 1.548 1.00 0.00 C ATOM 167 C SER A 14 5.125 -14.142 2.688 1.00 0.00 C ATOM 168 O SER A 14 5.604 -13.342 3.488 1.00 0.00 O ATOM 169 CB SER A 14 6.503 -16.081 1.892 1.00 0.00 C ATOM 170 OG SER A 14 5.438 -17.006 1.890 1.00 0.00 O ATOM 0 H SER A 14 7.888 -13.944 1.894 1.00 0.00 H new ATOM 0 HA SER A 14 5.341 -14.768 0.661 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.261 -16.381 1.169 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.984 -16.066 2.870 1.00 0.00 H new ATOM 0 HG SER A 14 5.779 -17.898 2.109 1.00 0.00 H new ATOM 176 N ASP A 15 3.864 -14.573 2.760 1.00 0.00 N ATOM 177 CA ASP A 15 2.960 -14.122 3.799 1.00 0.00 C ATOM 178 C ASP A 15 3.668 -14.151 5.145 1.00 0.00 C ATOM 179 O ASP A 15 4.457 -15.054 5.414 1.00 0.00 O ATOM 180 CB ASP A 15 1.723 -15.015 3.818 1.00 0.00 C ATOM 181 CG ASP A 15 0.669 -14.463 4.768 1.00 0.00 C ATOM 182 OD1 ASP A 15 -0.011 -13.497 4.360 1.00 0.00 O ATOM 183 OD2 ASP A 15 0.563 -15.018 5.883 1.00 0.00 O ATOM 0 H ASP A 15 3.452 -15.237 2.104 1.00 0.00 H new ATOM 0 HA ASP A 15 2.648 -13.097 3.597 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.309 -15.090 2.813 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.002 -16.023 4.124 1.00 0.00 H new ATOM 188 N GLY A 16 3.385 -13.160 5.994 1.00 0.00 N ATOM 189 CA GLY A 16 3.998 -13.082 7.305 1.00 0.00 C ATOM 190 C GLY A 16 5.095 -12.026 7.312 1.00 0.00 C ATOM 191 O GLY A 16 5.446 -11.500 8.366 1.00 0.00 O ATOM 0 H GLY A 16 2.733 -12.403 5.788 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.244 -12.838 8.053 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.415 -14.052 7.578 1.00 0.00 H new ATOM 195 N THR A 17 5.637 -11.717 6.132 1.00 0.00 N ATOM 196 CA THR A 17 6.688 -10.727 6.013 1.00 0.00 C ATOM 197 C THR A 17 6.118 -9.335 6.242 1.00 0.00 C ATOM 198 O THR A 17 4.947 -9.087 5.964 1.00 0.00 O ATOM 199 CB THR A 17 7.326 -10.829 4.630 1.00 0.00 C ATOM 200 OG1 THR A 17 7.821 -12.135 4.436 1.00 0.00 O ATOM 201 CG2 THR A 17 8.475 -9.830 4.525 1.00 0.00 C ATOM 0 H THR A 17 5.359 -12.144 5.248 1.00 0.00 H new ATOM 0 HA THR A 17 7.453 -10.912 6.768 1.00 0.00 H new ATOM 0 HB THR A 17 6.579 -10.606 3.868 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.137 -12.682 3.997 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.931 -9.902 3.538 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.094 -8.820 4.676 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.222 -10.053 5.287 1.00 0.00 H new ATOM 209 N VAL A 18 6.951 -8.425 6.751 1.00 0.00 N ATOM 210 CA VAL A 18 6.529 -7.064 7.015 1.00 0.00 C ATOM 211 C VAL A 18 7.459 -6.090 6.306 1.00 0.00 C ATOM 212 O VAL A 18 8.667 -6.108 6.529 1.00 0.00 O ATOM 213 CB VAL A 18 6.530 -6.815 8.520 1.00 0.00 C ATOM 214 CG1 VAL A 18 7.967 -6.802 9.033 1.00 0.00 C ATOM 215 CG2 VAL A 18 5.873 -5.469 8.813 1.00 0.00 C ATOM 0 H VAL A 18 7.925 -8.616 6.987 1.00 0.00 H new ATOM 0 HA VAL A 18 5.518 -6.912 6.636 1.00 0.00 H new ATOM 0 HB VAL A 18 5.973 -7.608 9.020 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.968 -6.624 10.108 1.00 0.00 H new ATOM 0 HG12 VAL A 18 8.437 -7.763 8.824 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.524 -6.009 8.534 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.873 -5.290 9.888 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.429 -4.676 8.313 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.846 -5.478 8.447 1.00 0.00 H new ATOM 225 N VAL A 19 6.892 -5.237 5.450 1.00 0.00 N ATOM 226 CA VAL A 19 7.670 -4.261 4.714 1.00 0.00 C ATOM 227 C VAL A 19 7.743 -2.961 5.502 1.00 0.00 C ATOM 228 O VAL A 19 7.007 -2.777 6.469 1.00 0.00 O ATOM 229 CB VAL A 19 7.033 -4.030 3.347 1.00 0.00 C ATOM 230 CG1 VAL A 19 6.992 -5.345 2.575 1.00 0.00 C ATOM 231 CG2 VAL A 19 5.612 -3.503 3.530 1.00 0.00 C ATOM 0 H VAL A 19 5.891 -5.210 5.255 1.00 0.00 H new ATOM 0 HA VAL A 19 8.684 -4.633 4.569 1.00 0.00 H new ATOM 0 HB VAL A 19 7.622 -3.301 2.791 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.537 -5.180 1.598 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.006 -5.721 2.443 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.403 -6.075 3.131 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.157 -3.338 2.554 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.023 -4.232 4.087 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.641 -2.563 4.081 1.00 0.00 H new ATOM 241 N LYS A 20 8.634 -2.058 5.086 1.00 0.00 N ATOM 242 CA LYS A 20 8.797 -0.782 5.755 1.00 0.00 C ATOM 243 C LYS A 20 8.430 0.350 4.806 1.00 0.00 C ATOM 244 O LYS A 20 8.543 0.207 3.591 1.00 0.00 O ATOM 245 CB LYS A 20 10.238 -0.640 6.234 1.00 0.00 C ATOM 246 CG LYS A 20 10.247 -0.186 7.691 1.00 0.00 C ATOM 247 CD LYS A 20 10.460 1.324 7.752 1.00 0.00 C ATOM 248 CE LYS A 20 11.402 1.658 8.906 1.00 0.00 C ATOM 249 NZ LYS A 20 10.713 1.544 10.200 1.00 0.00 N ATOM 0 H LYS A 20 9.252 -2.195 4.286 1.00 0.00 H new ATOM 0 HA LYS A 20 8.134 -0.734 6.619 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.761 -1.591 6.135 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.769 0.082 5.614 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.305 -0.451 8.171 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.039 -0.698 8.238 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.879 1.681 6.811 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.505 1.832 7.889 1.00 0.00 H new ATOM 0 HE2 LYS A 20 12.259 0.985 8.886 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.788 2.670 8.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 11.375 1.776 10.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.909 2.204 10.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.366 0.571 10.324 1.00 0.00 H new ATOM 263 N VAL A 21 7.990 1.480 5.365 1.00 0.00 N ATOM 264 CA VAL A 21 7.610 2.630 4.570 1.00 0.00 C ATOM 265 C VAL A 21 7.922 3.909 5.332 1.00 0.00 C ATOM 266 O VAL A 21 7.338 4.167 6.382 1.00 0.00 O ATOM 267 CB VAL A 21 6.123 2.548 4.237 1.00 0.00 C ATOM 268 CG1 VAL A 21 5.336 3.428 5.204 1.00 0.00 C ATOM 269 CG2 VAL A 21 5.894 3.031 2.808 1.00 0.00 C ATOM 0 H VAL A 21 7.891 1.614 6.371 1.00 0.00 H new ATOM 0 HA VAL A 21 8.177 2.637 3.639 1.00 0.00 H new ATOM 0 HB VAL A 21 5.786 1.515 4.329 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.274 3.370 4.967 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.499 3.083 6.225 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.672 4.461 5.112 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.832 2.972 2.570 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.230 4.064 2.715 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.456 2.402 2.117 1.00 0.00 H new ATOM 279 N ALA A 22 8.847 4.712 4.800 1.00 0.00 N ATOM 280 CA ALA A 22 9.233 5.958 5.431 1.00 0.00 C ATOM 281 C ALA A 22 9.135 7.097 4.427 1.00 0.00 C ATOM 282 O ALA A 22 9.876 7.129 3.447 1.00 0.00 O ATOM 283 CB ALA A 22 10.655 5.834 5.972 1.00 0.00 C ATOM 0 H ALA A 22 9.339 4.512 3.929 1.00 0.00 H new ATOM 0 HA ALA A 22 8.560 6.174 6.261 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.947 6.771 6.447 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.697 5.028 6.704 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.339 5.615 5.152 1.00 0.00 H new ATOM 289 N GLY A 23 8.215 8.034 4.670 1.00 0.00 N ATOM 290 CA GLY A 23 8.029 9.165 3.785 1.00 0.00 C ATOM 291 C GLY A 23 9.015 10.273 4.129 1.00 0.00 C ATOM 292 O GLY A 23 9.338 10.479 5.296 1.00 0.00 O ATOM 0 H GLY A 23 7.591 8.023 5.477 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.169 8.853 2.750 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.008 9.538 3.870 1.00 0.00 H new ATOM 296 N ALA A 24 9.492 10.987 3.107 1.00 0.00 N ATOM 297 CA ALA A 24 10.438 12.066 3.304 1.00 0.00 C ATOM 298 C ALA A 24 10.101 13.223 2.374 1.00 0.00 C ATOM 299 O ALA A 24 10.194 13.090 1.156 1.00 0.00 O ATOM 300 CB ALA A 24 11.853 11.557 3.043 1.00 0.00 C ATOM 0 H ALA A 24 9.232 10.829 2.133 1.00 0.00 H new ATOM 0 HA ALA A 24 10.379 12.423 4.332 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.565 12.369 3.191 1.00 0.00 H new ATOM 0 HB2 ALA A 24 12.080 10.744 3.733 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.926 11.193 2.018 1.00 0.00 H new ATOM 306 N GLY A 25 9.708 14.362 2.951 1.00 0.00 N ATOM 307 CA GLY A 25 9.361 15.531 2.168 1.00 0.00 C ATOM 308 C GLY A 25 7.852 15.616 1.989 1.00 0.00 C ATOM 309 O GLY A 25 7.368 16.304 1.093 1.00 0.00 O ATOM 0 H GLY A 25 9.625 14.490 3.959 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.727 16.431 2.663 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.848 15.483 1.194 1.00 0.00 H new ATOM 313 N LEU A 26 7.107 14.913 2.846 1.00 0.00 N ATOM 314 CA LEU A 26 5.659 14.912 2.779 1.00 0.00 C ATOM 315 C LEU A 26 5.101 16.031 3.646 1.00 0.00 C ATOM 316 O LEU A 26 5.852 16.721 4.333 1.00 0.00 O ATOM 317 CB LEU A 26 5.131 13.556 3.240 1.00 0.00 C ATOM 318 CG LEU A 26 6.267 12.538 3.231 1.00 0.00 C ATOM 319 CD1 LEU A 26 7.019 12.602 4.557 1.00 0.00 C ATOM 320 CD2 LEU A 26 5.692 11.137 3.039 1.00 0.00 C ATOM 0 H LEU A 26 7.493 14.338 3.594 1.00 0.00 H new ATOM 0 HA LEU A 26 5.338 15.082 1.751 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.711 13.639 4.242 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.326 13.225 2.584 1.00 0.00 H new ATOM 0 HG LEU A 26 6.952 12.765 2.414 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.831 11.875 4.550 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.429 13.602 4.695 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.335 12.375 5.375 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.503 10.409 3.032 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.007 10.910 3.856 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.155 11.091 2.092 1.00 0.00 H new ATOM 332 N GLN A 27 3.779 16.210 3.613 1.00 0.00 N ATOM 333 CA GLN A 27 3.128 17.244 4.394 1.00 0.00 C ATOM 334 C GLN A 27 3.409 17.026 5.874 1.00 0.00 C ATOM 335 O GLN A 27 3.090 15.972 6.420 1.00 0.00 O ATOM 336 CB GLN A 27 1.628 17.219 4.118 1.00 0.00 C ATOM 337 CG GLN A 27 1.360 17.734 2.707 1.00 0.00 C ATOM 338 CD GLN A 27 -0.089 17.497 2.308 1.00 0.00 C ATOM 339 OE1 GLN A 27 -0.875 18.438 2.226 1.00 0.00 O ATOM 340 NE2 GLN A 27 -0.442 16.233 2.061 1.00 0.00 N ATOM 0 H GLN A 27 3.143 15.646 3.049 1.00 0.00 H new ATOM 0 HA GLN A 27 3.520 18.221 4.111 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.245 16.204 4.225 1.00 0.00 H new ATOM 0 HB3 GLN A 27 1.103 17.836 4.847 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.586 18.799 2.655 1.00 0.00 H new ATOM 0 HG3 GLN A 27 2.022 17.233 2.001 1.00 0.00 H new ATOM 0 HE21 GLN A 27 0.247 15.486 2.143 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.401 16.015 1.791 1.00 0.00 H new ATOM 349 N ALA A 28 4.006 18.029 6.523 1.00 0.00 N ATOM 350 CA ALA A 28 4.326 17.942 7.934 1.00 0.00 C ATOM 351 C ALA A 28 3.055 18.082 8.760 1.00 0.00 C ATOM 352 O ALA A 28 2.268 19.001 8.542 1.00 0.00 O ATOM 353 CB ALA A 28 5.328 19.035 8.295 1.00 0.00 C ATOM 0 H ALA A 28 4.275 18.910 6.084 1.00 0.00 H new ATOM 0 HA ALA A 28 4.772 16.972 8.151 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.570 18.971 9.356 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.237 18.904 7.707 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.894 20.012 8.080 1.00 0.00 H new ATOM 359 N GLY A 29 2.854 17.167 9.711 1.00 0.00 N ATOM 360 CA GLY A 29 1.680 17.197 10.561 1.00 0.00 C ATOM 361 C GLY A 29 0.467 16.679 9.801 1.00 0.00 C ATOM 362 O GLY A 29 -0.656 16.756 10.294 1.00 0.00 O ATOM 0 H GLY A 29 3.495 16.398 9.906 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.849 16.588 11.449 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.496 18.215 10.903 1.00 0.00 H new ATOM 366 N THR A 30 0.695 16.150 8.597 1.00 0.00 N ATOM 367 CA THR A 30 -0.380 15.624 7.781 1.00 0.00 C ATOM 368 C THR A 30 -0.530 14.128 8.021 1.00 0.00 C ATOM 369 O THR A 30 0.462 13.418 8.171 1.00 0.00 O ATOM 370 CB THR A 30 -0.087 15.908 6.311 1.00 0.00 C ATOM 371 OG1 THR A 30 -0.964 16.909 5.842 1.00 0.00 O ATOM 372 CG2 THR A 30 -0.288 14.634 5.495 1.00 0.00 C ATOM 0 H THR A 30 1.620 16.078 8.172 1.00 0.00 H new ATOM 0 HA THR A 30 -1.317 16.110 8.053 1.00 0.00 H new ATOM 0 HB THR A 30 0.943 16.248 6.206 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.007 16.874 4.864 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.079 14.838 4.445 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.389 13.860 5.857 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.318 14.293 5.600 1.00 0.00 H new ATOM 380 N ALA A 31 -1.776 13.650 8.056 1.00 0.00 N ATOM 381 CA ALA A 31 -2.050 12.245 8.277 1.00 0.00 C ATOM 382 C ALA A 31 -2.022 11.499 6.951 1.00 0.00 C ATOM 383 O ALA A 31 -2.316 12.075 5.906 1.00 0.00 O ATOM 384 CB ALA A 31 -3.408 12.093 8.955 1.00 0.00 C ATOM 0 H ALA A 31 -2.609 14.226 7.932 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.285 11.819 8.926 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.615 11.036 9.122 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.398 12.616 9.911 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.183 12.518 8.317 1.00 0.00 H new ATOM 390 N TYR A 32 -1.667 10.213 6.994 1.00 0.00 N ATOM 391 CA TYR A 32 -1.601 9.399 5.797 1.00 0.00 C ATOM 392 C TYR A 32 -2.242 8.043 6.059 1.00 0.00 C ATOM 393 O TYR A 32 -2.170 7.524 7.171 1.00 0.00 O ATOM 394 CB TYR A 32 -0.144 9.235 5.374 1.00 0.00 C ATOM 395 CG TYR A 32 0.472 10.503 4.832 1.00 0.00 C ATOM 396 CD1 TYR A 32 -0.196 11.240 3.848 1.00 0.00 C ATOM 397 CD2 TYR A 32 1.712 10.940 5.314 1.00 0.00 C ATOM 398 CE1 TYR A 32 0.376 12.415 3.345 1.00 0.00 C ATOM 399 CE2 TYR A 32 2.283 12.115 4.812 1.00 0.00 C ATOM 400 CZ TYR A 32 1.615 12.853 3.827 1.00 0.00 C ATOM 401 OH TYR A 32 2.173 13.997 3.337 1.00 0.00 O ATOM 0 H TYR A 32 -1.422 9.719 7.852 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.147 9.887 4.990 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.439 8.895 6.230 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.080 8.456 4.615 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.152 10.903 3.477 1.00 0.00 H new ATOM 0 HD2 TYR A 32 2.228 10.370 6.073 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.139 12.984 2.585 1.00 0.00 H new ATOM 0 HE2 TYR A 32 3.239 12.453 5.184 1.00 0.00 H new ATOM 0 HH TYR A 32 1.893 14.125 2.407 1.00 0.00 H new ATOM 411 N ASP A 33 -2.872 7.470 5.031 1.00 0.00 N ATOM 412 CA ASP A 33 -3.522 6.181 5.155 1.00 0.00 C ATOM 413 C ASP A 33 -2.742 5.134 4.373 1.00 0.00 C ATOM 414 O ASP A 33 -2.656 5.208 3.149 1.00 0.00 O ATOM 415 CB ASP A 33 -4.955 6.284 4.641 1.00 0.00 C ATOM 416 CG ASP A 33 -5.449 4.936 4.136 1.00 0.00 C ATOM 417 OD1 ASP A 33 -5.444 3.987 4.950 1.00 0.00 O ATOM 418 OD2 ASP A 33 -5.823 4.879 2.944 1.00 0.00 O ATOM 0 HA ASP A 33 -3.547 5.880 6.202 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.607 6.639 5.439 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.005 7.019 3.837 1.00 0.00 H new ATOM 423 N VAL A 34 -2.173 4.156 5.083 1.00 0.00 N ATOM 424 CA VAL A 34 -1.405 3.101 4.453 1.00 0.00 C ATOM 425 C VAL A 34 -2.227 1.822 4.410 1.00 0.00 C ATOM 426 O VAL A 34 -2.932 1.502 5.364 1.00 0.00 O ATOM 427 CB VAL A 34 -0.109 2.885 5.229 1.00 0.00 C ATOM 428 CG1 VAL A 34 1.029 2.607 4.251 1.00 0.00 C ATOM 429 CG2 VAL A 34 0.213 4.137 6.040 1.00 0.00 C ATOM 0 H VAL A 34 -2.235 4.081 6.098 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.158 3.385 3.430 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.226 2.036 5.902 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.955 2.453 4.805 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.800 1.713 3.671 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.146 3.456 3.578 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.139 3.983 6.595 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.330 4.986 5.367 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.599 4.337 6.739 1.00 0.00 H new ATOM 439 N GLY A 35 -2.136 1.088 3.298 1.00 0.00 N ATOM 440 CA GLY A 35 -2.873 -0.151 3.142 1.00 0.00 C ATOM 441 C GLY A 35 -2.327 -0.943 1.962 1.00 0.00 C ATOM 442 O GLY A 35 -1.534 -0.427 1.178 1.00 0.00 O ATOM 0 H GLY A 35 -1.557 1.338 2.497 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.798 -0.744 4.053 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.930 0.063 2.987 1.00 0.00 H new ATOM 446 N GLN A 36 -2.755 -2.202 1.838 1.00 0.00 N ATOM 447 CA GLN A 36 -2.308 -3.058 0.757 1.00 0.00 C ATOM 448 C GLN A 36 -3.479 -3.390 -0.157 1.00 0.00 C ATOM 449 O GLN A 36 -4.528 -3.829 0.309 1.00 0.00 O ATOM 450 CB GLN A 36 -1.698 -4.330 1.338 1.00 0.00 C ATOM 451 CG GLN A 36 -1.251 -5.246 0.202 1.00 0.00 C ATOM 452 CD GLN A 36 -0.891 -6.627 0.729 1.00 0.00 C ATOM 453 OE1 GLN A 36 -1.744 -7.333 1.262 1.00 0.00 O ATOM 454 NE2 GLN A 36 0.379 -7.013 0.578 1.00 0.00 N ATOM 0 H GLN A 36 -3.413 -2.644 2.480 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.550 -2.542 0.168 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.849 -4.081 1.974 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.427 -4.842 1.966 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.047 -5.331 -0.537 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.390 -4.810 -0.305 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.051 -6.391 0.129 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.677 -7.930 0.912 1.00 0.00 H new ATOM 463 N CYS A 37 -3.296 -3.179 -1.463 1.00 0.00 N ATOM 464 CA CYS A 37 -4.334 -3.457 -2.435 1.00 0.00 C ATOM 465 C CYS A 37 -3.765 -4.294 -3.571 1.00 0.00 C ATOM 466 O CYS A 37 -2.620 -4.101 -3.974 1.00 0.00 O ATOM 467 CB CYS A 37 -4.900 -2.141 -2.964 1.00 0.00 C ATOM 468 SG CYS A 37 -5.356 -0.963 -1.667 1.00 0.00 S ATOM 0 H CYS A 37 -2.432 -2.815 -1.864 1.00 0.00 H new ATOM 0 HA CYS A 37 -5.139 -4.020 -1.963 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -4.163 -1.677 -3.619 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.779 -2.354 -3.573 1.00 0.00 H new ATOM 0 HG CYS A 37 -6.506 -0.427 -1.952 1.00 0.00 H new ATOM 473 N ALA A 38 -4.568 -5.228 -4.088 1.00 0.00 N ATOM 474 CA ALA A 38 -4.140 -6.089 -5.171 1.00 0.00 C ATOM 475 C ALA A 38 -5.080 -5.929 -6.358 1.00 0.00 C ATOM 476 O ALA A 38 -6.297 -5.992 -6.202 1.00 0.00 O ATOM 477 CB ALA A 38 -4.119 -7.537 -4.691 1.00 0.00 C ATOM 0 H ALA A 38 -5.520 -5.400 -3.766 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.135 -5.810 -5.487 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.797 -8.186 -5.506 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.426 -7.633 -3.855 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.119 -7.828 -4.369 1.00 0.00 H new ATOM 483 N TRP A 39 -4.512 -5.720 -7.549 1.00 0.00 N ATOM 484 CA TRP A 39 -5.304 -5.554 -8.751 1.00 0.00 C ATOM 485 C TRP A 39 -6.061 -6.839 -9.054 1.00 0.00 C ATOM 486 O TRP A 39 -5.471 -7.916 -9.092 1.00 0.00 O ATOM 487 CB TRP A 39 -4.389 -5.178 -9.913 1.00 0.00 C ATOM 488 CG TRP A 39 -4.859 -5.634 -11.257 1.00 0.00 C ATOM 489 CD1 TRP A 39 -6.149 -5.687 -11.656 1.00 0.00 C ATOM 490 CD2 TRP A 39 -4.071 -6.105 -12.392 1.00 0.00 C ATOM 491 NE1 TRP A 39 -6.212 -6.156 -12.952 1.00 0.00 N ATOM 492 CE2 TRP A 39 -4.957 -6.430 -13.455 1.00 0.00 C ATOM 493 CE3 TRP A 39 -2.698 -6.291 -12.633 1.00 0.00 C ATOM 494 CZ2 TRP A 39 -4.507 -6.912 -14.687 1.00 0.00 C ATOM 495 CZ3 TRP A 39 -2.236 -6.775 -13.866 1.00 0.00 C ATOM 496 CH2 TRP A 39 -3.136 -7.086 -14.893 1.00 0.00 C ATOM 0 H TRP A 39 -3.504 -5.663 -7.697 1.00 0.00 H new ATOM 0 HA TRP A 39 -6.031 -4.755 -8.604 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -4.277 -4.094 -9.932 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -3.400 -5.598 -9.728 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -7.000 -5.406 -11.053 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -7.079 -6.284 -13.474 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -1.987 -6.057 -11.855 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -5.211 -7.147 -15.471 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -1.176 -6.909 -14.025 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -2.772 -7.458 -15.839 1.00 0.00 H new ATOM 507 N VAL A 40 -7.373 -6.722 -9.271 1.00 0.00 N ATOM 508 CA VAL A 40 -8.205 -7.870 -9.570 1.00 0.00 C ATOM 509 C VAL A 40 -8.683 -7.799 -11.013 1.00 0.00 C ATOM 510 O VAL A 40 -8.698 -8.808 -11.714 1.00 0.00 O ATOM 511 CB VAL A 40 -9.390 -7.903 -8.608 1.00 0.00 C ATOM 512 CG1 VAL A 40 -9.078 -8.844 -7.448 1.00 0.00 C ATOM 513 CG2 VAL A 40 -9.646 -6.499 -8.070 1.00 0.00 C ATOM 0 H VAL A 40 -7.876 -5.835 -9.243 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.627 -8.786 -9.445 1.00 0.00 H new ATOM 0 HB VAL A 40 -10.276 -8.258 -9.134 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.924 -8.868 -6.761 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -8.895 -9.847 -7.833 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -8.192 -8.490 -6.921 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.492 -6.521 -7.383 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.760 -6.144 -7.543 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.869 -5.827 -8.899 1.00 0.00 H new ATOM 523 N ASP A 41 -9.073 -6.601 -11.456 1.00 0.00 N ATOM 524 CA ASP A 41 -9.549 -6.405 -12.811 1.00 0.00 C ATOM 525 C ASP A 41 -9.134 -5.028 -13.307 1.00 0.00 C ATOM 526 O ASP A 41 -8.772 -4.163 -12.513 1.00 0.00 O ATOM 527 CB ASP A 41 -11.067 -6.558 -12.843 1.00 0.00 C ATOM 528 CG ASP A 41 -11.486 -7.612 -13.858 1.00 0.00 C ATOM 529 OD1 ASP A 41 -10.672 -7.876 -14.770 1.00 0.00 O ATOM 530 OD2 ASP A 41 -12.611 -8.133 -13.704 1.00 0.00 O ATOM 0 H ASP A 41 -9.065 -5.755 -10.887 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.109 -7.154 -13.469 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.429 -6.836 -11.853 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.528 -5.602 -13.094 1.00 0.00 H new ATOM 535 N THR A 42 -9.188 -4.824 -14.626 1.00 0.00 N ATOM 536 CA THR A 42 -8.819 -3.553 -15.216 1.00 0.00 C ATOM 537 C THR A 42 -9.622 -2.431 -14.574 1.00 0.00 C ATOM 538 O THR A 42 -10.850 -2.429 -14.634 1.00 0.00 O ATOM 539 CB THR A 42 -9.065 -3.602 -16.721 1.00 0.00 C ATOM 540 OG1 THR A 42 -8.255 -4.601 -17.298 1.00 0.00 O ATOM 541 CG2 THR A 42 -8.720 -2.249 -17.337 1.00 0.00 C ATOM 0 H THR A 42 -9.486 -5.530 -15.299 1.00 0.00 H new ATOM 0 HA THR A 42 -7.761 -3.360 -15.040 1.00 0.00 H new ATOM 0 HB THR A 42 -10.114 -3.831 -16.910 1.00 0.00 H new ATOM 0 HG1 THR A 42 -8.414 -4.634 -18.264 1.00 0.00 H new ATOM 0 HG21 THR A 42 -8.896 -2.283 -18.412 1.00 0.00 H new ATOM 0 HG22 THR A 42 -9.346 -1.476 -16.892 1.00 0.00 H new ATOM 0 HG23 THR A 42 -7.671 -2.020 -17.148 1.00 0.00 H new ATOM 549 N GLY A 43 -8.925 -1.473 -13.957 1.00 0.00 N ATOM 550 CA GLY A 43 -9.579 -0.354 -13.310 1.00 0.00 C ATOM 551 C GLY A 43 -10.284 -0.815 -12.043 1.00 0.00 C ATOM 552 O GLY A 43 -11.004 -0.043 -11.413 1.00 0.00 O ATOM 0 H GLY A 43 -7.907 -1.458 -13.897 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.845 0.414 -13.067 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.300 0.098 -13.991 1.00 0.00 H new ATOM 556 N VAL A 44 -10.076 -2.080 -11.670 1.00 0.00 N ATOM 557 CA VAL A 44 -10.691 -2.639 -10.482 1.00 0.00 C ATOM 558 C VAL A 44 -9.620 -3.237 -9.581 1.00 0.00 C ATOM 559 O VAL A 44 -8.956 -4.200 -9.957 1.00 0.00 O ATOM 560 CB VAL A 44 -11.709 -3.700 -10.889 1.00 0.00 C ATOM 561 CG1 VAL A 44 -11.713 -4.824 -9.858 1.00 0.00 C ATOM 562 CG2 VAL A 44 -13.098 -3.070 -10.960 1.00 0.00 C ATOM 0 H VAL A 44 -9.482 -2.733 -12.182 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.206 -1.853 -9.929 1.00 0.00 H new ATOM 0 HB VAL A 44 -11.442 -4.104 -11.865 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -12.440 -5.582 -10.149 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -10.721 -5.274 -9.806 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -11.980 -4.421 -8.881 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -13.826 -3.827 -11.251 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -13.365 -2.666 -9.983 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -13.096 -2.267 -11.697 1.00 0.00 H new ATOM 572 N LEU A 45 -9.452 -2.662 -8.387 1.00 0.00 N ATOM 573 CA LEU A 45 -8.465 -3.140 -7.440 1.00 0.00 C ATOM 574 C LEU A 45 -9.135 -3.451 -6.109 1.00 0.00 C ATOM 575 O LEU A 45 -10.058 -2.752 -5.698 1.00 0.00 O ATOM 576 CB LEU A 45 -7.377 -2.085 -7.264 1.00 0.00 C ATOM 577 CG LEU A 45 -6.837 -2.144 -5.838 1.00 0.00 C ATOM 578 CD1 LEU A 45 -5.887 -3.330 -5.703 1.00 0.00 C ATOM 579 CD2 LEU A 45 -6.088 -0.852 -5.524 1.00 0.00 C ATOM 0 H LEU A 45 -9.994 -1.862 -8.061 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.008 -4.055 -7.816 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.571 -2.256 -7.977 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.780 -1.094 -7.471 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.666 -2.262 -5.140 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.501 -3.373 -4.685 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.423 -4.253 -5.927 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.058 -3.213 -6.401 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.702 -0.894 -4.505 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.259 -0.733 -6.222 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.767 -0.005 -5.620 1.00 0.00 H new ATOM 591 N ALA A 46 -8.667 -4.504 -5.435 1.00 0.00 N ATOM 592 CA ALA A 46 -9.221 -4.903 -4.157 1.00 0.00 C ATOM 593 C ALA A 46 -8.265 -4.516 -3.038 1.00 0.00 C ATOM 594 O ALA A 46 -7.050 -4.601 -3.200 1.00 0.00 O ATOM 595 CB ALA A 46 -9.471 -6.408 -4.159 1.00 0.00 C ATOM 0 H ALA A 46 -7.901 -5.093 -5.763 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.169 -4.391 -3.991 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.888 -6.709 -3.198 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.173 -6.659 -4.954 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.531 -6.933 -4.327 1.00 0.00 H new ATOM 601 N CYS A 47 -8.817 -4.091 -1.899 1.00 0.00 N ATOM 602 CA CYS A 47 -8.014 -3.694 -0.760 1.00 0.00 C ATOM 603 C CYS A 47 -8.204 -4.690 0.376 1.00 0.00 C ATOM 604 O CYS A 47 -9.153 -5.470 0.367 1.00 0.00 O ATOM 605 CB CYS A 47 -8.415 -2.289 -0.321 1.00 0.00 C ATOM 606 SG CYS A 47 -7.738 -0.972 -1.362 1.00 0.00 S ATOM 0 H CYS A 47 -9.823 -4.016 -1.749 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.960 -3.686 -1.037 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.503 -2.216 -0.321 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -8.085 -2.132 0.706 1.00 0.00 H new ATOM 0 HG CYS A 47 -6.571 -0.620 -0.912 1.00 0.00 H new ATOM 611 N ASN A 48 -7.298 -4.661 1.355 1.00 0.00 N ATOM 612 CA ASN A 48 -7.372 -5.559 2.490 1.00 0.00 C ATOM 613 C ASN A 48 -7.322 -4.763 3.786 1.00 0.00 C ATOM 614 O ASN A 48 -6.289 -4.191 4.128 1.00 0.00 O ATOM 615 CB ASN A 48 -6.219 -6.556 2.424 1.00 0.00 C ATOM 616 CG ASN A 48 -6.158 -7.402 3.688 1.00 0.00 C ATOM 617 OD1 ASN A 48 -7.116 -7.439 4.458 1.00 0.00 O ATOM 618 ND2 ASN A 48 -5.030 -8.083 3.900 1.00 0.00 N ATOM 0 H ASN A 48 -6.505 -4.020 1.377 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.313 -6.108 2.462 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.341 -7.202 1.555 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.278 -6.021 2.294 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.935 -8.667 4.731 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.263 -8.020 3.231 1.00 0.00 H new ATOM 625 N PRO A 49 -8.444 -4.727 4.509 1.00 0.00 N ATOM 626 CA PRO A 49 -8.582 -4.023 5.766 1.00 0.00 C ATOM 627 C PRO A 49 -7.821 -4.768 6.854 1.00 0.00 C ATOM 628 O PRO A 49 -7.815 -4.347 8.009 1.00 0.00 O ATOM 629 CB PRO A 49 -10.082 -4.022 6.051 1.00 0.00 C ATOM 630 CG PRO A 49 -10.555 -5.313 5.384 1.00 0.00 C ATOM 631 CD PRO A 49 -9.676 -5.387 4.137 1.00 0.00 C ATOM 0 HA PRO A 49 -8.180 -3.010 5.732 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -10.290 -4.020 7.121 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.573 -3.145 5.629 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -10.414 -6.179 6.031 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -11.615 -5.274 5.131 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.496 -6.421 3.841 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -10.150 -4.891 3.290 1.00 0.00 H new ATOM 639 N ALA A 50 -7.179 -5.878 6.483 1.00 0.00 N ATOM 640 CA ALA A 50 -6.422 -6.675 7.426 1.00 0.00 C ATOM 641 C ALA A 50 -4.994 -6.157 7.510 1.00 0.00 C ATOM 642 O ALA A 50 -4.246 -6.533 8.410 1.00 0.00 O ATOM 643 CB ALA A 50 -6.442 -8.137 6.987 1.00 0.00 C ATOM 0 H ALA A 50 -7.174 -6.239 5.529 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.873 -6.600 8.415 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.872 -8.738 7.696 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.472 -8.493 6.955 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.996 -8.226 5.996 1.00 0.00 H new ATOM 649 N ASP A 51 -4.615 -5.291 6.567 1.00 0.00 N ATOM 650 CA ASP A 51 -3.280 -4.728 6.539 1.00 0.00 C ATOM 651 C ASP A 51 -3.363 -3.212 6.423 1.00 0.00 C ATOM 652 O ASP A 51 -2.464 -2.580 5.873 1.00 0.00 O ATOM 653 CB ASP A 51 -2.505 -5.318 5.364 1.00 0.00 C ATOM 654 CG ASP A 51 -3.338 -5.285 4.091 1.00 0.00 C ATOM 655 OD1 ASP A 51 -3.989 -4.242 3.866 1.00 0.00 O ATOM 656 OD2 ASP A 51 -3.308 -6.304 3.367 1.00 0.00 O ATOM 0 H ASP A 51 -5.223 -4.969 5.814 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.757 -4.974 7.463 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.582 -4.757 5.214 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.220 -6.346 5.590 1.00 0.00 H new ATOM 661 N PHE A 52 -4.445 -2.630 6.944 1.00 0.00 N ATOM 662 CA PHE A 52 -4.637 -1.194 6.895 1.00 0.00 C ATOM 663 C PHE A 52 -3.952 -0.541 8.087 1.00 0.00 C ATOM 664 O PHE A 52 -4.443 -0.626 9.211 1.00 0.00 O ATOM 665 CB PHE A 52 -6.130 -0.881 6.890 1.00 0.00 C ATOM 666 CG PHE A 52 -6.621 -0.304 5.584 1.00 0.00 C ATOM 667 CD1 PHE A 52 -5.745 0.417 4.763 1.00 0.00 C ATOM 668 CD2 PHE A 52 -7.952 -0.493 5.191 1.00 0.00 C ATOM 669 CE1 PHE A 52 -6.200 0.950 3.551 1.00 0.00 C ATOM 670 CE2 PHE A 52 -8.406 0.040 3.979 1.00 0.00 C ATOM 671 CZ PHE A 52 -7.530 0.762 3.159 1.00 0.00 C ATOM 0 H PHE A 52 -5.199 -3.140 7.404 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.193 -0.795 5.983 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.685 -1.794 7.106 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.348 -0.178 7.694 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.718 0.562 5.065 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -8.628 -1.050 5.823 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.524 1.506 2.918 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -9.432 -0.106 3.676 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.881 1.174 2.224 1.00 0.00 H new ATOM 681 N SER A 53 -2.814 0.113 7.840 1.00 0.00 N ATOM 682 CA SER A 53 -2.071 0.776 8.893 1.00 0.00 C ATOM 683 C SER A 53 -2.283 2.281 8.805 1.00 0.00 C ATOM 684 O SER A 53 -2.897 2.770 7.858 1.00 0.00 O ATOM 685 CB SER A 53 -0.591 0.430 8.765 1.00 0.00 C ATOM 686 OG SER A 53 0.108 0.934 9.881 1.00 0.00 O ATOM 0 H SER A 53 -2.393 0.193 6.914 1.00 0.00 H new ATOM 0 HA SER A 53 -2.427 0.435 9.865 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.464 -0.651 8.700 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.186 0.854 7.847 1.00 0.00 H new ATOM 0 HG SER A 53 1.059 0.710 9.800 1.00 0.00 H new ATOM 692 N SER A 54 -1.772 3.016 9.795 1.00 0.00 N ATOM 693 CA SER A 54 -1.906 4.458 9.822 1.00 0.00 C ATOM 694 C SER A 54 -0.660 5.081 10.436 1.00 0.00 C ATOM 695 O SER A 54 0.046 4.434 11.206 1.00 0.00 O ATOM 696 CB SER A 54 -3.149 4.838 10.621 1.00 0.00 C ATOM 697 OG SER A 54 -2.835 4.865 11.995 1.00 0.00 O ATOM 0 H SER A 54 -1.261 2.626 10.587 1.00 0.00 H new ATOM 0 HA SER A 54 -2.014 4.836 8.805 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.515 5.814 10.302 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.948 4.121 10.434 1.00 0.00 H new ATOM 0 HG SER A 54 -3.633 5.111 12.508 1.00 0.00 H new ATOM 703 N VAL A 55 -0.391 6.344 10.093 1.00 0.00 N ATOM 704 CA VAL A 55 0.765 7.047 10.611 1.00 0.00 C ATOM 705 C VAL A 55 0.641 8.533 10.306 1.00 0.00 C ATOM 706 O VAL A 55 -0.072 8.923 9.385 1.00 0.00 O ATOM 707 CB VAL A 55 2.032 6.470 9.987 1.00 0.00 C ATOM 708 CG1 VAL A 55 1.929 6.543 8.466 1.00 0.00 C ATOM 709 CG2 VAL A 55 3.241 7.276 10.454 1.00 0.00 C ATOM 0 H VAL A 55 -0.966 6.894 9.456 1.00 0.00 H new ATOM 0 HA VAL A 55 0.820 6.921 11.692 1.00 0.00 H new ATOM 0 HB VAL A 55 2.147 5.430 10.294 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.834 6.131 8.020 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.065 5.968 8.132 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.814 7.582 8.159 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.147 6.864 10.009 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.126 8.316 10.147 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.315 7.224 11.540 1.00 0.00 H new ATOM 719 N THR A 56 1.340 9.365 11.083 1.00 0.00 N ATOM 720 CA THR A 56 1.303 10.800 10.889 1.00 0.00 C ATOM 721 C THR A 56 2.720 11.347 10.789 1.00 0.00 C ATOM 722 O THR A 56 3.596 10.952 11.555 1.00 0.00 O ATOM 723 CB THR A 56 0.553 11.450 12.048 1.00 0.00 C ATOM 724 OG1 THR A 56 -0.747 10.911 12.128 1.00 0.00 O ATOM 725 CG2 THR A 56 0.465 12.956 11.816 1.00 0.00 C ATOM 0 H THR A 56 1.937 9.059 11.852 1.00 0.00 H new ATOM 0 HA THR A 56 0.781 11.030 9.960 1.00 0.00 H new ATOM 0 HB THR A 56 1.085 11.256 12.979 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.228 11.327 12.873 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.071 13.421 12.644 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.470 13.374 11.754 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.067 13.150 10.885 1.00 0.00 H new ATOM 733 N ALA A 57 2.943 12.258 9.840 1.00 0.00 N ATOM 734 CA ALA A 57 4.249 12.854 9.643 1.00 0.00 C ATOM 735 C ALA A 57 4.522 13.873 10.740 1.00 0.00 C ATOM 736 O ALA A 57 3.641 14.651 11.100 1.00 0.00 O ATOM 737 CB ALA A 57 4.306 13.512 8.268 1.00 0.00 C ATOM 0 H ALA A 57 2.227 12.595 9.197 1.00 0.00 H new ATOM 0 HA ALA A 57 5.016 12.081 9.693 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.288 13.960 8.120 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.130 12.761 7.498 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.541 14.285 8.203 1.00 0.00 H new ATOM 743 N ASP A 58 5.746 13.866 11.273 1.00 0.00 N ATOM 744 CA ASP A 58 6.126 14.787 12.326 1.00 0.00 C ATOM 745 C ASP A 58 6.384 16.165 11.735 1.00 0.00 C ATOM 746 O ASP A 58 6.166 16.384 10.546 1.00 0.00 O ATOM 747 CB ASP A 58 7.370 14.260 13.035 1.00 0.00 C ATOM 748 CG ASP A 58 8.497 14.009 12.043 1.00 0.00 C ATOM 749 OD1 ASP A 58 8.468 14.659 10.976 1.00 0.00 O ATOM 750 OD2 ASP A 58 9.365 13.171 12.370 1.00 0.00 O ATOM 0 H ASP A 58 6.487 13.227 10.986 1.00 0.00 H new ATOM 0 HA ASP A 58 5.318 14.871 13.053 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.696 14.978 13.787 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.130 13.335 13.560 1.00 0.00 H new ATOM 755 N ALA A 59 6.850 17.097 12.570 1.00 0.00 N ATOM 756 CA ALA A 59 7.134 18.447 12.128 1.00 0.00 C ATOM 757 C ALA A 59 8.220 18.423 11.062 1.00 0.00 C ATOM 758 O ALA A 59 8.374 19.382 10.309 1.00 0.00 O ATOM 759 CB ALA A 59 7.567 19.293 13.323 1.00 0.00 C ATOM 0 H ALA A 59 7.036 16.931 13.559 1.00 0.00 H new ATOM 0 HA ALA A 59 6.237 18.888 11.694 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.781 20.309 12.991 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.767 19.314 14.063 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.463 18.861 13.769 1.00 0.00 H new ATOM 765 N ASN A 60 8.975 17.324 11.001 1.00 0.00 N ATOM 766 CA ASN A 60 10.040 17.183 10.029 1.00 0.00 C ATOM 767 C ASN A 60 9.475 16.675 8.710 1.00 0.00 C ATOM 768 O ASN A 60 10.227 16.357 7.791 1.00 0.00 O ATOM 769 CB ASN A 60 11.096 16.223 10.569 1.00 0.00 C ATOM 770 CG ASN A 60 12.487 16.833 10.470 1.00 0.00 C ATOM 771 OD1 ASN A 60 12.912 17.561 11.365 1.00 0.00 O ATOM 772 ND2 ASN A 60 13.196 16.534 9.380 1.00 0.00 N ATOM 0 H ASN A 60 8.861 16.521 11.619 1.00 0.00 H new ATOM 0 HA ASN A 60 10.504 18.153 9.852 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.874 15.980 11.608 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.064 15.288 10.009 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.135 16.915 9.262 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.799 15.925 8.665 1.00 0.00 H new ATOM 779 N GLY A 61 8.145 16.601 8.616 1.00 0.00 N ATOM 780 CA GLY A 61 7.492 16.134 7.410 1.00 0.00 C ATOM 781 C GLY A 61 7.984 14.739 7.051 1.00 0.00 C ATOM 782 O GLY A 61 8.058 14.387 5.876 1.00 0.00 O ATOM 0 H GLY A 61 7.506 16.861 9.367 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.412 16.120 7.555 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.695 16.821 6.589 1.00 0.00 H new ATOM 786 N SER A 62 8.320 13.943 8.069 1.00 0.00 N ATOM 787 CA SER A 62 8.801 12.593 7.855 1.00 0.00 C ATOM 788 C SER A 62 8.014 11.620 8.723 1.00 0.00 C ATOM 789 O SER A 62 7.809 11.869 9.909 1.00 0.00 O ATOM 790 CB SER A 62 10.290 12.526 8.183 1.00 0.00 C ATOM 791 OG SER A 62 10.842 11.355 7.625 1.00 0.00 O ATOM 0 H SER A 62 8.264 14.219 9.049 1.00 0.00 H new ATOM 0 HA SER A 62 8.659 12.314 6.811 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.800 13.405 7.789 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.436 12.531 9.263 1.00 0.00 H new ATOM 0 HG SER A 62 10.314 11.084 6.845 1.00 0.00 H new ATOM 797 N ALA A 63 7.573 10.510 8.128 1.00 0.00 N ATOM 798 CA ALA A 63 6.813 9.507 8.847 1.00 0.00 C ATOM 799 C ALA A 63 7.496 8.153 8.721 1.00 0.00 C ATOM 800 O ALA A 63 8.360 7.969 7.866 1.00 0.00 O ATOM 801 CB ALA A 63 5.393 9.451 8.289 1.00 0.00 C ATOM 0 H ALA A 63 7.734 10.290 7.145 1.00 0.00 H new ATOM 0 HA ALA A 63 6.765 9.769 9.904 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.820 8.697 8.828 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.916 10.424 8.409 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.428 9.192 7.231 1.00 0.00 H new ATOM 807 N SER A 64 7.109 7.205 9.577 1.00 0.00 N ATOM 808 CA SER A 64 7.685 5.876 9.556 1.00 0.00 C ATOM 809 C SER A 64 6.654 4.859 10.026 1.00 0.00 C ATOM 810 O SER A 64 6.080 5.005 11.103 1.00 0.00 O ATOM 811 CB SER A 64 8.922 5.845 10.450 1.00 0.00 C ATOM 812 OG SER A 64 9.568 7.097 10.401 1.00 0.00 O ATOM 0 H SER A 64 6.396 7.343 10.293 1.00 0.00 H new ATOM 0 HA SER A 64 7.981 5.620 8.539 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.637 5.611 11.476 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.602 5.060 10.121 1.00 0.00 H new ATOM 0 HG SER A 64 10.361 7.078 10.976 1.00 0.00 H new ATOM 818 N THR A 65 6.421 3.824 9.215 1.00 0.00 N ATOM 819 CA THR A 65 5.464 2.791 9.556 1.00 0.00 C ATOM 820 C THR A 65 5.768 1.523 8.771 1.00 0.00 C ATOM 821 O THR A 65 6.356 1.582 7.694 1.00 0.00 O ATOM 822 CB THR A 65 4.053 3.287 9.254 1.00 0.00 C ATOM 823 OG1 THR A 65 3.333 3.417 10.460 1.00 0.00 O ATOM 824 CG2 THR A 65 3.345 2.287 8.344 1.00 0.00 C ATOM 0 H THR A 65 6.887 3.687 8.318 1.00 0.00 H new ATOM 0 HA THR A 65 5.536 2.561 10.619 1.00 0.00 H new ATOM 0 HB THR A 65 4.107 4.255 8.756 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.865 3.929 11.105 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.337 2.642 8.128 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.901 2.186 7.412 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.290 1.318 8.841 1.00 0.00 H new ATOM 832 N SER A 66 5.366 0.372 9.316 1.00 0.00 N ATOM 833 CA SER A 66 5.596 -0.902 8.665 1.00 0.00 C ATOM 834 C SER A 66 4.294 -1.420 8.069 1.00 0.00 C ATOM 835 O SER A 66 3.258 -1.408 8.730 1.00 0.00 O ATOM 836 CB SER A 66 6.160 -1.894 9.678 1.00 0.00 C ATOM 837 OG SER A 66 6.893 -1.197 10.660 1.00 0.00 O ATOM 0 H SER A 66 4.879 0.306 10.210 1.00 0.00 H new ATOM 0 HA SER A 66 6.317 -0.778 7.857 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.350 -2.455 10.144 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.801 -2.618 9.176 1.00 0.00 H new ATOM 0 HG SER A 66 7.254 -1.833 11.312 1.00 0.00 H new ATOM 843 N LEU A 67 4.350 -1.877 6.816 1.00 0.00 N ATOM 844 CA LEU A 67 3.180 -2.398 6.139 1.00 0.00 C ATOM 845 C LEU A 67 3.369 -3.879 5.844 1.00 0.00 C ATOM 846 O LEU A 67 4.299 -4.259 5.136 1.00 0.00 O ATOM 847 CB LEU A 67 2.949 -1.615 4.849 1.00 0.00 C ATOM 848 CG LEU A 67 1.456 -1.580 4.536 1.00 0.00 C ATOM 849 CD1 LEU A 67 1.018 -2.937 3.992 1.00 0.00 C ATOM 850 CD2 LEU A 67 0.676 -1.267 5.810 1.00 0.00 C ATOM 0 H LEU A 67 5.202 -1.893 6.255 1.00 0.00 H new ATOM 0 HA LEU A 67 2.305 -2.285 6.780 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.334 -0.600 4.953 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.493 -2.079 4.027 1.00 0.00 H new ATOM 0 HG LEU A 67 1.259 -0.809 3.791 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.049 -2.912 3.768 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.575 -3.161 3.082 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.215 -3.708 4.737 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.391 -1.242 5.587 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.873 -2.037 6.556 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.988 -0.298 6.199 1.00 0.00 H new ATOM 862 N THR A 68 2.484 -4.716 6.388 1.00 0.00 N ATOM 863 CA THR A 68 2.562 -6.148 6.178 1.00 0.00 C ATOM 864 C THR A 68 2.158 -6.485 4.750 1.00 0.00 C ATOM 865 O THR A 68 1.153 -5.983 4.250 1.00 0.00 O ATOM 866 CB THR A 68 1.653 -6.858 7.178 1.00 0.00 C ATOM 867 OG1 THR A 68 1.349 -8.150 6.701 1.00 0.00 O ATOM 868 CG2 THR A 68 0.362 -6.062 7.347 1.00 0.00 C ATOM 0 H THR A 68 1.706 -4.418 6.977 1.00 0.00 H new ATOM 0 HA THR A 68 3.587 -6.486 6.333 1.00 0.00 H new ATOM 0 HB THR A 68 2.161 -6.935 8.139 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.071 -8.767 6.944 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.287 -6.569 8.061 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.596 -5.063 7.715 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.146 -5.985 6.386 1.00 0.00 H new ATOM 876 N VAL A 69 2.946 -7.338 4.092 1.00 0.00 N ATOM 877 CA VAL A 69 2.670 -7.739 2.727 1.00 0.00 C ATOM 878 C VAL A 69 2.189 -9.183 2.701 1.00 0.00 C ATOM 879 O VAL A 69 2.876 -10.076 3.192 1.00 0.00 O ATOM 880 CB VAL A 69 3.931 -7.573 1.884 1.00 0.00 C ATOM 881 CG1 VAL A 69 5.155 -7.560 2.795 1.00 0.00 C ATOM 882 CG2 VAL A 69 4.041 -8.735 0.901 1.00 0.00 C ATOM 0 H VAL A 69 3.783 -7.762 4.493 1.00 0.00 H new ATOM 0 HA VAL A 69 1.885 -7.108 2.310 1.00 0.00 H new ATOM 0 HB VAL A 69 3.879 -6.634 1.333 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.056 -7.441 2.193 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.077 -6.731 3.498 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.208 -8.499 3.346 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.941 -8.618 0.298 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.093 -9.674 1.452 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.167 -8.745 0.250 1.00 0.00 H new ATOM 892 N ARG A 70 1.006 -9.409 2.127 1.00 0.00 N ATOM 893 CA ARG A 70 0.440 -10.740 2.041 1.00 0.00 C ATOM 894 C ARG A 70 0.382 -11.183 0.586 1.00 0.00 C ATOM 895 O ARG A 70 0.074 -10.385 -0.297 1.00 0.00 O ATOM 896 CB ARG A 70 -0.955 -10.740 2.661 1.00 0.00 C ATOM 897 CG ARG A 70 -0.844 -10.995 4.161 1.00 0.00 C ATOM 898 CD ARG A 70 0.120 -9.987 4.779 1.00 0.00 C ATOM 899 NE ARG A 70 -0.121 -9.842 6.215 1.00 0.00 N ATOM 900 CZ ARG A 70 0.267 -10.758 7.113 1.00 0.00 C ATOM 901 NH1 ARG A 70 0.907 -11.864 6.708 1.00 0.00 N ATOM 902 NH2 ARG A 70 0.016 -10.568 8.415 1.00 0.00 N ATOM 0 H ARG A 70 0.425 -8.678 1.715 1.00 0.00 H new ATOM 0 HA ARG A 70 1.068 -11.442 2.590 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.446 -9.784 2.479 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -1.572 -11.509 2.195 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -1.825 -10.910 4.629 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -0.491 -12.010 4.343 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.147 -10.310 4.610 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.005 -9.021 4.288 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.605 -9.008 6.547 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.099 -12.008 5.717 1.00 0.00 H new ATOM 0 HH12 ARG A 70 1.202 -12.561 7.391 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.471 -9.726 8.723 1.00 0.00 H new ATOM 0 HH22 ARG A 70 0.311 -11.265 9.098 1.00 0.00 H new ATOM 916 N ARG A 71 0.680 -12.460 0.337 1.00 0.00 N ATOM 917 CA ARG A 71 0.662 -13.002 -1.007 1.00 0.00 C ATOM 918 C ARG A 71 -0.775 -13.239 -1.448 1.00 0.00 C ATOM 919 O ARG A 71 -1.026 -13.562 -2.608 1.00 0.00 O ATOM 920 CB ARG A 71 1.459 -14.303 -1.041 1.00 0.00 C ATOM 921 CG ARG A 71 0.569 -15.456 -0.586 1.00 0.00 C ATOM 922 CD ARG A 71 1.426 -16.697 -0.348 1.00 0.00 C ATOM 923 NE ARG A 71 1.049 -17.365 0.897 1.00 0.00 N ATOM 924 CZ ARG A 71 1.514 -18.573 1.243 1.00 0.00 C ATOM 925 NH1 ARG A 71 2.362 -19.221 0.433 1.00 0.00 N ATOM 926 NH2 ARG A 71 1.130 -19.134 2.398 1.00 0.00 N ATOM 0 H ARG A 71 0.937 -13.134 1.058 1.00 0.00 H new ATOM 0 HA ARG A 71 1.120 -12.292 -1.696 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.828 -14.490 -2.050 1.00 0.00 H new ATOM 0 HB3 ARG A 71 2.331 -14.225 -0.392 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.042 -15.184 0.329 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.189 -15.664 -1.341 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.312 -17.387 -1.184 1.00 0.00 H new ATOM 0 HD3 ARG A 71 2.478 -16.414 -0.309 1.00 0.00 H new ATOM 0 HE ARG A 71 0.404 -16.891 1.529 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.653 -18.795 -0.447 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.716 -20.141 0.696 1.00 0.00 H new ATOM 0 HH21 ARG A 71 0.483 -18.641 3.014 1.00 0.00 H new ATOM 0 HH22 ARG A 71 1.484 -20.054 2.661 1.00 0.00 H new ATOM 940 N SER A 72 -1.721 -13.077 -0.520 1.00 0.00 N ATOM 941 CA SER A 72 -3.125 -13.273 -0.819 1.00 0.00 C ATOM 942 C SER A 72 -3.976 -12.722 0.317 1.00 0.00 C ATOM 943 O SER A 72 -3.576 -12.774 1.478 1.00 0.00 O ATOM 944 CB SER A 72 -3.398 -14.760 -1.027 1.00 0.00 C ATOM 945 OG SER A 72 -3.032 -15.471 0.134 1.00 0.00 O ATOM 0 H SER A 72 -1.530 -12.810 0.446 1.00 0.00 H new ATOM 0 HA SER A 72 -3.384 -12.739 -1.733 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.454 -14.920 -1.247 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.835 -15.128 -1.885 1.00 0.00 H new ATOM 0 HG SER A 72 -3.209 -16.426 0.002 1.00 0.00 H new ATOM 951 N PHE A 73 -5.155 -12.193 -0.021 1.00 0.00 N ATOM 952 CA PHE A 73 -6.054 -11.638 0.971 1.00 0.00 C ATOM 953 C PHE A 73 -7.340 -11.176 0.301 1.00 0.00 C ATOM 954 O PHE A 73 -7.394 -11.043 -0.919 1.00 0.00 O ATOM 955 CB PHE A 73 -5.368 -10.477 1.685 1.00 0.00 C ATOM 956 CG PHE A 73 -4.608 -9.562 0.754 1.00 0.00 C ATOM 957 CD1 PHE A 73 -5.301 -8.643 -0.043 1.00 0.00 C ATOM 958 CD2 PHE A 73 -3.212 -9.634 0.686 1.00 0.00 C ATOM 959 CE1 PHE A 73 -4.598 -7.796 -0.907 1.00 0.00 C ATOM 960 CE2 PHE A 73 -2.509 -8.787 -0.178 1.00 0.00 C ATOM 961 CZ PHE A 73 -3.202 -7.867 -0.975 1.00 0.00 C ATOM 0 H PHE A 73 -5.502 -12.142 -0.979 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.306 -12.402 1.707 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.119 -9.896 2.220 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -4.681 -10.875 2.432 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.378 -8.588 0.009 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -2.677 -10.343 1.300 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.133 -7.087 -1.522 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -1.432 -8.843 -0.230 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.659 -7.213 -1.641 1.00 0.00 H new ATOM 971 N GLU A 74 -8.379 -10.931 1.104 1.00 0.00 N ATOM 972 CA GLU A 74 -9.656 -10.485 0.583 1.00 0.00 C ATOM 973 C GLU A 74 -9.487 -9.152 -0.133 1.00 0.00 C ATOM 974 O GLU A 74 -9.154 -8.147 0.491 1.00 0.00 O ATOM 975 CB GLU A 74 -10.656 -10.361 1.728 1.00 0.00 C ATOM 976 CG GLU A 74 -10.051 -9.512 2.842 1.00 0.00 C ATOM 977 CD GLU A 74 -10.231 -10.183 4.196 1.00 0.00 C ATOM 978 OE1 GLU A 74 -9.813 -11.356 4.308 1.00 0.00 O ATOM 979 OE2 GLU A 74 -10.784 -9.511 5.094 1.00 0.00 O ATOM 0 H GLU A 74 -8.352 -11.037 2.118 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.033 -11.213 -0.135 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.580 -9.906 1.370 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -10.914 -11.349 2.109 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -8.990 -9.354 2.648 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.523 -8.530 2.853 1.00 0.00 H new ATOM 986 N GLY A 75 -9.719 -9.144 -1.448 1.00 0.00 N ATOM 987 CA GLY A 75 -9.592 -7.934 -2.236 1.00 0.00 C ATOM 988 C GLY A 75 -10.795 -7.029 -2.011 1.00 0.00 C ATOM 989 O GLY A 75 -11.846 -7.227 -2.618 1.00 0.00 O ATOM 0 H GLY A 75 -9.996 -9.968 -1.982 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.677 -7.409 -1.963 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.511 -8.187 -3.293 1.00 0.00 H new ATOM 993 N PHE A 76 -10.640 -6.033 -1.136 1.00 0.00 N ATOM 994 CA PHE A 76 -11.712 -5.106 -0.837 1.00 0.00 C ATOM 995 C PHE A 76 -11.747 -4.002 -1.885 1.00 0.00 C ATOM 996 O PHE A 76 -10.946 -3.072 -1.836 1.00 0.00 O ATOM 997 CB PHE A 76 -11.505 -4.522 0.557 1.00 0.00 C ATOM 998 CG PHE A 76 -12.643 -4.810 1.507 1.00 0.00 C ATOM 999 CD1 PHE A 76 -12.736 -6.061 2.130 1.00 0.00 C ATOM 1000 CD2 PHE A 76 -13.604 -3.826 1.767 1.00 0.00 C ATOM 1001 CE1 PHE A 76 -13.790 -6.327 3.012 1.00 0.00 C ATOM 1002 CE2 PHE A 76 -14.658 -4.092 2.648 1.00 0.00 C ATOM 1003 CZ PHE A 76 -14.751 -5.342 3.271 1.00 0.00 C ATOM 0 H PHE A 76 -9.775 -5.855 -0.625 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.667 -5.630 -0.858 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -10.582 -4.923 0.976 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.376 -3.443 0.474 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -11.995 -6.820 1.930 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -13.532 -2.861 1.287 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -13.862 -7.292 3.493 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -15.400 -3.333 2.847 1.00 0.00 H new ATOM 0 HZ PHE A 76 -15.564 -5.547 3.952 1.00 0.00 H new ATOM 1013 N LEU A 77 -12.680 -4.108 -2.835 1.00 0.00 N ATOM 1014 CA LEU A 77 -12.815 -3.121 -3.888 1.00 0.00 C ATOM 1015 C LEU A 77 -13.041 -1.744 -3.279 1.00 0.00 C ATOM 1016 O LEU A 77 -13.808 -1.601 -2.330 1.00 0.00 O ATOM 1017 CB LEU A 77 -13.976 -3.506 -4.800 1.00 0.00 C ATOM 1018 CG LEU A 77 -14.630 -2.242 -5.352 1.00 0.00 C ATOM 1019 CD1 LEU A 77 -13.663 -1.544 -6.304 1.00 0.00 C ATOM 1020 CD2 LEU A 77 -15.904 -2.616 -6.103 1.00 0.00 C ATOM 0 H LEU A 77 -13.351 -4.874 -2.889 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.901 -3.089 -4.480 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -13.618 -4.130 -5.619 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.707 -4.095 -4.247 1.00 0.00 H new ATOM 0 HG LEU A 77 -14.877 -1.571 -4.530 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -14.129 -0.641 -6.699 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.753 -1.277 -5.767 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -13.415 -2.214 -7.127 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -16.372 -1.714 -6.498 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -15.658 -3.287 -6.926 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -16.594 -3.115 -5.423 1.00 0.00 H new ATOM 1032 N PHE A 78 -12.370 -0.729 -3.829 1.00 0.00 N ATOM 1033 CA PHE A 78 -12.503 0.628 -3.338 1.00 0.00 C ATOM 1034 C PHE A 78 -13.975 0.970 -3.156 1.00 0.00 C ATOM 1035 O PHE A 78 -14.348 1.620 -2.182 1.00 0.00 O ATOM 1036 CB PHE A 78 -11.841 1.590 -4.320 1.00 0.00 C ATOM 1037 CG PHE A 78 -10.367 1.795 -4.062 1.00 0.00 C ATOM 1038 CD1 PHE A 78 -9.944 2.445 -2.897 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -9.424 1.336 -4.990 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -8.578 2.637 -2.659 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -8.058 1.528 -4.752 1.00 0.00 C ATOM 1042 CZ PHE A 78 -7.635 2.178 -3.587 1.00 0.00 C ATOM 0 H PHE A 78 -11.730 -0.831 -4.616 1.00 0.00 H new ATOM 0 HA PHE A 78 -12.008 0.719 -2.371 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -11.975 1.212 -5.333 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -12.348 2.554 -4.270 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -10.672 2.799 -2.181 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -9.750 0.834 -5.889 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -8.252 3.139 -1.760 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -7.330 1.174 -5.468 1.00 0.00 H new ATOM 0 HZ PHE A 78 -6.581 2.326 -3.404 1.00 0.00 H new ATOM 1052 N ASP A 79 -14.813 0.529 -4.098 1.00 0.00 N ATOM 1053 CA ASP A 79 -16.237 0.791 -4.037 1.00 0.00 C ATOM 1054 C ASP A 79 -16.801 0.270 -2.723 1.00 0.00 C ATOM 1055 O ASP A 79 -17.898 0.650 -2.323 1.00 0.00 O ATOM 1056 CB ASP A 79 -16.926 0.125 -5.225 1.00 0.00 C ATOM 1057 CG ASP A 79 -18.029 1.014 -5.782 1.00 0.00 C ATOM 1058 OD1 ASP A 79 -18.862 1.464 -4.966 1.00 0.00 O ATOM 1059 OD2 ASP A 79 -18.018 1.228 -7.013 1.00 0.00 O ATOM 0 H ASP A 79 -14.520 -0.012 -4.911 1.00 0.00 H new ATOM 0 HA ASP A 79 -16.417 1.865 -4.085 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -16.194 -0.084 -6.005 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -17.346 -0.832 -4.917 1.00 0.00 H new ATOM 1064 N GLY A 80 -16.047 -0.605 -2.052 1.00 0.00 N ATOM 1065 CA GLY A 80 -16.480 -1.170 -0.789 1.00 0.00 C ATOM 1066 C GLY A 80 -17.144 -2.521 -1.016 1.00 0.00 C ATOM 1067 O GLY A 80 -18.005 -2.931 -0.241 1.00 0.00 O ATOM 0 H GLY A 80 -15.135 -0.932 -2.370 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.626 -1.284 -0.122 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -17.178 -0.491 -0.299 1.00 0.00 H new ATOM 1071 N THR A 81 -16.741 -3.214 -2.084 1.00 0.00 N ATOM 1072 CA THR A 81 -17.299 -4.512 -2.403 1.00 0.00 C ATOM 1073 C THR A 81 -16.240 -5.591 -2.222 1.00 0.00 C ATOM 1074 O THR A 81 -15.067 -5.368 -2.513 1.00 0.00 O ATOM 1075 CB THR A 81 -17.820 -4.502 -3.838 1.00 0.00 C ATOM 1076 OG1 THR A 81 -18.940 -3.650 -3.925 1.00 0.00 O ATOM 1077 CG2 THR A 81 -18.224 -5.917 -4.243 1.00 0.00 C ATOM 0 H THR A 81 -16.029 -2.889 -2.738 1.00 0.00 H new ATOM 0 HA THR A 81 -18.128 -4.730 -1.729 1.00 0.00 H new ATOM 0 HB THR A 81 -17.037 -4.143 -4.506 1.00 0.00 H new ATOM 0 HG1 THR A 81 -19.274 -3.642 -4.846 1.00 0.00 H new ATOM 0 HG21 THR A 81 -18.596 -5.910 -5.268 1.00 0.00 H new ATOM 0 HG22 THR A 81 -17.358 -6.576 -4.176 1.00 0.00 H new ATOM 0 HG23 THR A 81 -19.007 -6.277 -3.575 1.00 0.00 H new ATOM 1085 N ARG A 82 -16.658 -6.763 -1.739 1.00 0.00 N ATOM 1086 CA ARG A 82 -15.748 -7.869 -1.521 1.00 0.00 C ATOM 1087 C ARG A 82 -15.497 -8.597 -2.833 1.00 0.00 C ATOM 1088 O ARG A 82 -16.265 -9.479 -3.213 1.00 0.00 O ATOM 1089 CB ARG A 82 -16.340 -8.816 -0.481 1.00 0.00 C ATOM 1090 CG ARG A 82 -16.442 -8.099 0.861 1.00 0.00 C ATOM 1091 CD ARG A 82 -17.376 -8.877 1.785 1.00 0.00 C ATOM 1092 NE ARG A 82 -16.754 -9.105 3.089 1.00 0.00 N ATOM 1093 CZ ARG A 82 -17.372 -9.756 4.084 1.00 0.00 C ATOM 1094 NH1 ARG A 82 -18.613 -10.229 3.905 1.00 0.00 N ATOM 1095 NH2 ARG A 82 -16.750 -9.933 5.258 1.00 0.00 N ATOM 0 H ARG A 82 -17.628 -6.962 -1.493 1.00 0.00 H new ATOM 0 HA ARG A 82 -14.795 -7.493 -1.150 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -17.326 -9.154 -0.801 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -15.715 -9.704 -0.384 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -15.455 -8.012 1.314 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -16.817 -7.086 0.716 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -18.308 -8.326 1.914 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -17.632 -9.833 1.328 1.00 0.00 H new ATOM 0 HE ARG A 82 -15.810 -8.754 3.248 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -19.087 -10.093 3.012 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -19.084 -10.725 4.662 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -15.806 -9.572 5.394 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -17.221 -10.429 6.015 1.00 0.00 H new ATOM 1109 N TRP A 83 -14.418 -8.228 -3.528 1.00 0.00 N ATOM 1110 CA TRP A 83 -14.075 -8.851 -4.790 1.00 0.00 C ATOM 1111 C TRP A 83 -13.776 -10.328 -4.575 1.00 0.00 C ATOM 1112 O TRP A 83 -14.299 -11.180 -5.290 1.00 0.00 O ATOM 1113 CB TRP A 83 -12.870 -8.139 -5.397 1.00 0.00 C ATOM 1114 CG TRP A 83 -12.894 -8.021 -6.888 1.00 0.00 C ATOM 1115 CD1 TRP A 83 -12.119 -8.729 -7.739 1.00 0.00 C ATOM 1116 CD2 TRP A 83 -13.718 -7.155 -7.726 1.00 0.00 C ATOM 1117 NE1 TRP A 83 -12.406 -8.363 -9.037 1.00 0.00 N ATOM 1118 CE2 TRP A 83 -13.387 -7.393 -9.087 1.00 0.00 C ATOM 1119 CE3 TRP A 83 -14.712 -6.192 -7.475 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 -14.005 -6.716 -10.141 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 -15.339 -5.506 -8.525 1.00 0.00 C ATOM 1122 CH2 TRP A 83 -14.989 -5.764 -9.856 1.00 0.00 C ATOM 0 H TRP A 83 -13.771 -7.498 -3.229 1.00 0.00 H new ATOM 0 HA TRP A 83 -14.915 -8.769 -5.479 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -12.804 -7.139 -4.969 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -11.966 -8.672 -5.104 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -11.387 -9.468 -7.447 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -11.950 -8.760 -9.859 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -14.997 -5.977 -6.456 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -13.726 -6.925 -11.163 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -16.099 -4.771 -8.305 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -15.477 -5.230 -10.659 1.00 0.00 H new ATOM 1133 N GLY A 84 -12.932 -10.630 -3.585 1.00 0.00 N ATOM 1134 CA GLY A 84 -12.572 -12.001 -3.285 1.00 0.00 C ATOM 1135 C GLY A 84 -11.097 -12.091 -2.920 1.00 0.00 C ATOM 1136 O GLY A 84 -10.368 -11.106 -3.022 1.00 0.00 O ATOM 0 H GLY A 84 -12.490 -9.936 -2.982 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.181 -12.372 -2.461 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.780 -12.636 -4.146 1.00 0.00 H new ATOM 1140 N THR A 85 -10.657 -13.276 -2.491 1.00 0.00 N ATOM 1141 CA THR A 85 -9.273 -13.484 -2.115 1.00 0.00 C ATOM 1142 C THR A 85 -8.375 -13.328 -3.334 1.00 0.00 C ATOM 1143 O THR A 85 -8.349 -14.195 -4.204 1.00 0.00 O ATOM 1144 CB THR A 85 -9.117 -14.873 -1.503 1.00 0.00 C ATOM 1145 OG1 THR A 85 -10.344 -15.280 -0.940 1.00 0.00 O ATOM 1146 CG2 THR A 85 -8.048 -14.833 -0.415 1.00 0.00 C ATOM 0 H THR A 85 -11.247 -14.103 -2.398 1.00 0.00 H new ATOM 0 HA THR A 85 -8.978 -12.739 -1.376 1.00 0.00 H new ATOM 0 HB THR A 85 -8.821 -15.579 -2.278 1.00 0.00 H new ATOM 0 HG1 THR A 85 -10.244 -16.173 -0.549 1.00 0.00 H new ATOM 0 HG21 THR A 85 -7.937 -15.825 0.022 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.099 -14.519 -0.849 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.344 -14.126 0.360 1.00 0.00 H new ATOM 1154 N VAL A 86 -7.637 -12.217 -3.393 1.00 0.00 N ATOM 1155 CA VAL A 86 -6.742 -11.952 -4.502 1.00 0.00 C ATOM 1156 C VAL A 86 -5.381 -12.575 -4.225 1.00 0.00 C ATOM 1157 O VAL A 86 -4.989 -12.727 -3.070 1.00 0.00 O ATOM 1158 CB VAL A 86 -6.616 -10.445 -4.703 1.00 0.00 C ATOM 1159 CG1 VAL A 86 -7.996 -9.849 -4.963 1.00 0.00 C ATOM 1160 CG2 VAL A 86 -6.016 -9.813 -3.450 1.00 0.00 C ATOM 0 H VAL A 86 -7.648 -11.489 -2.679 1.00 0.00 H new ATOM 0 HA VAL A 86 -7.144 -12.394 -5.414 1.00 0.00 H new ATOM 0 HB VAL A 86 -5.968 -10.245 -5.556 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -7.906 -8.772 -5.107 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -8.424 -10.300 -5.858 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -8.645 -10.048 -4.110 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -5.926 -8.736 -3.593 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -6.663 -10.013 -2.596 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -5.030 -10.238 -3.265 1.00 0.00 H new ATOM 1170 N ASP A 87 -4.661 -12.937 -5.289 1.00 0.00 N ATOM 1171 CA ASP A 87 -3.351 -13.541 -5.156 1.00 0.00 C ATOM 1172 C ASP A 87 -2.274 -12.503 -5.438 1.00 0.00 C ATOM 1173 O ASP A 87 -1.880 -12.312 -6.586 1.00 0.00 O ATOM 1174 CB ASP A 87 -3.234 -14.718 -6.120 1.00 0.00 C ATOM 1175 CG ASP A 87 -3.607 -16.024 -5.432 1.00 0.00 C ATOM 1176 OD1 ASP A 87 -2.846 -16.425 -4.526 1.00 0.00 O ATOM 1177 OD2 ASP A 87 -4.647 -16.595 -5.826 1.00 0.00 O ATOM 0 H ASP A 87 -4.973 -12.818 -6.253 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.217 -13.908 -4.138 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.886 -14.556 -6.979 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.215 -14.781 -6.501 1.00 0.00 H new ATOM 1182 N CYS A 88 -1.797 -11.833 -4.386 1.00 0.00 N ATOM 1183 CA CYS A 88 -0.771 -10.820 -4.525 1.00 0.00 C ATOM 1184 C CYS A 88 0.424 -11.397 -5.272 1.00 0.00 C ATOM 1185 O CYS A 88 1.187 -10.659 -5.890 1.00 0.00 O ATOM 1186 CB CYS A 88 -0.356 -10.324 -3.143 1.00 0.00 C ATOM 1187 SG CYS A 88 -0.523 -8.535 -2.923 1.00 0.00 S ATOM 0 H CYS A 88 -2.113 -11.982 -3.428 1.00 0.00 H new ATOM 0 HA CYS A 88 -1.161 -9.978 -5.097 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -0.960 -10.830 -2.390 1.00 0.00 H new ATOM 0 HB3 CYS A 88 0.681 -10.607 -2.963 1.00 0.00 H new ATOM 1192 N THR A 89 0.584 -12.721 -5.214 1.00 0.00 N ATOM 1193 CA THR A 89 1.684 -13.384 -5.886 1.00 0.00 C ATOM 1194 C THR A 89 1.323 -13.643 -7.341 1.00 0.00 C ATOM 1195 O THR A 89 2.108 -14.228 -8.084 1.00 0.00 O ATOM 1196 CB THR A 89 2.003 -14.692 -5.167 1.00 0.00 C ATOM 1197 OG1 THR A 89 3.067 -15.342 -5.825 1.00 0.00 O ATOM 1198 CG2 THR A 89 0.771 -15.594 -5.180 1.00 0.00 C ATOM 0 H THR A 89 -0.039 -13.348 -4.706 1.00 0.00 H new ATOM 0 HA THR A 89 2.567 -12.745 -5.862 1.00 0.00 H new ATOM 0 HB THR A 89 2.287 -14.480 -4.136 1.00 0.00 H new ATOM 0 HG1 THR A 89 3.129 -15.017 -6.747 1.00 0.00 H new ATOM 0 HG21 THR A 89 0.999 -16.528 -4.667 1.00 0.00 H new ATOM 0 HG22 THR A 89 -0.053 -15.092 -4.672 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.486 -15.806 -6.211 1.00 0.00 H new ATOM 1206 N THR A 90 0.129 -13.206 -7.748 1.00 0.00 N ATOM 1207 CA THR A 90 -0.326 -13.392 -9.111 1.00 0.00 C ATOM 1208 C THR A 90 -0.482 -12.042 -9.796 1.00 0.00 C ATOM 1209 O THR A 90 -0.361 -11.943 -11.015 1.00 0.00 O ATOM 1210 CB THR A 90 -1.649 -14.152 -9.105 1.00 0.00 C ATOM 1211 OG1 THR A 90 -1.406 -15.518 -8.854 1.00 0.00 O ATOM 1212 CG2 THR A 90 -2.330 -13.998 -10.462 1.00 0.00 C ATOM 0 H THR A 90 -0.535 -12.721 -7.145 1.00 0.00 H new ATOM 0 HA THR A 90 0.410 -13.973 -9.666 1.00 0.00 H new ATOM 0 HB THR A 90 -2.296 -13.749 -8.326 1.00 0.00 H new ATOM 0 HG1 THR A 90 -2.256 -16.006 -8.848 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.275 -14.541 -10.458 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.519 -12.942 -10.657 1.00 0.00 H new ATOM 0 HG23 THR A 90 -1.683 -14.401 -11.241 1.00 0.00 H new ATOM 1220 N ALA A 91 -0.752 -11.000 -9.006 1.00 0.00 N ATOM 1221 CA ALA A 91 -0.924 -9.663 -9.537 1.00 0.00 C ATOM 1222 C ALA A 91 0.088 -8.721 -8.901 1.00 0.00 C ATOM 1223 O ALA A 91 0.987 -9.162 -8.188 1.00 0.00 O ATOM 1224 CB ALA A 91 -2.349 -9.189 -9.266 1.00 0.00 C ATOM 0 H ALA A 91 -0.855 -11.066 -7.993 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.756 -9.671 -10.614 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.480 -8.183 -9.665 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -3.055 -9.865 -9.748 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.531 -9.180 -8.191 1.00 0.00 H new ATOM 1230 N ALA A 92 -0.060 -7.419 -9.160 1.00 0.00 N ATOM 1231 CA ALA A 92 0.840 -6.424 -8.614 1.00 0.00 C ATOM 1232 C ALA A 92 0.248 -5.837 -7.340 1.00 0.00 C ATOM 1233 O ALA A 92 -0.917 -5.445 -7.318 1.00 0.00 O ATOM 1234 CB ALA A 92 1.080 -5.332 -9.652 1.00 0.00 C ATOM 0 H ALA A 92 -0.801 -7.037 -9.748 1.00 0.00 H new ATOM 0 HA ALA A 92 1.795 -6.888 -8.367 1.00 0.00 H new ATOM 0 HB1 ALA A 92 1.757 -4.583 -9.242 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.523 -5.771 -10.546 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.132 -4.861 -9.911 1.00 0.00 H new ATOM 1240 N CYS A 93 1.054 -5.777 -6.278 1.00 0.00 N ATOM 1241 CA CYS A 93 0.608 -5.239 -5.008 1.00 0.00 C ATOM 1242 C CYS A 93 1.157 -3.832 -4.824 1.00 0.00 C ATOM 1243 O CYS A 93 2.037 -3.404 -5.568 1.00 0.00 O ATOM 1244 CB CYS A 93 1.073 -6.154 -3.878 1.00 0.00 C ATOM 1245 SG CYS A 93 1.148 -7.904 -4.332 1.00 0.00 S ATOM 0 H CYS A 93 2.022 -6.098 -6.281 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.481 -5.188 -4.991 1.00 0.00 H new ATOM 0 HB2 CYS A 93 2.060 -5.832 -3.547 1.00 0.00 H new ATOM 0 HB3 CYS A 93 0.399 -6.038 -3.029 1.00 0.00 H new ATOM 1250 N GLN A 94 0.635 -3.111 -3.829 1.00 0.00 N ATOM 1251 CA GLN A 94 1.074 -1.757 -3.554 1.00 0.00 C ATOM 1252 C GLN A 94 0.495 -1.285 -2.228 1.00 0.00 C ATOM 1253 O GLN A 94 -0.715 -1.340 -2.022 1.00 0.00 O ATOM 1254 CB GLN A 94 0.634 -0.841 -4.693 1.00 0.00 C ATOM 1255 CG GLN A 94 1.048 0.594 -4.381 1.00 0.00 C ATOM 1256 CD GLN A 94 0.073 1.587 -4.997 1.00 0.00 C ATOM 1257 OE1 GLN A 94 -0.607 1.269 -5.970 1.00 0.00 O ATOM 1258 NE2 GLN A 94 0.007 2.793 -4.428 1.00 0.00 N ATOM 0 H GLN A 94 -0.095 -3.451 -3.203 1.00 0.00 H new ATOM 0 HA GLN A 94 2.161 -1.730 -3.482 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.086 -1.166 -5.630 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -0.447 -0.899 -4.824 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.087 0.739 -3.301 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.052 0.779 -4.764 1.00 0.00 H new ATOM 0 HE21 GLN A 94 0.593 3.009 -3.621 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -0.629 3.498 -4.800 1.00 0.00 H new ATOM 1267 N VAL A 95 1.365 -0.821 -1.328 1.00 0.00 N ATOM 1268 CA VAL A 95 0.938 -0.342 -0.028 1.00 0.00 C ATOM 1269 C VAL A 95 1.178 1.157 0.072 1.00 0.00 C ATOM 1270 O VAL A 95 1.988 1.709 -0.670 1.00 0.00 O ATOM 1271 CB VAL A 95 1.701 -1.087 1.063 1.00 0.00 C ATOM 1272 CG1 VAL A 95 1.411 -0.444 2.416 1.00 0.00 C ATOM 1273 CG2 VAL A 95 1.256 -2.547 1.088 1.00 0.00 C ATOM 0 H VAL A 95 2.372 -0.770 -1.485 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.128 -0.528 0.102 1.00 0.00 H new ATOM 0 HB VAL A 95 2.770 -1.036 0.858 1.00 0.00 H new ATOM 0 HG11 VAL A 95 1.956 -0.976 3.196 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.728 0.599 2.399 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.342 -0.495 2.621 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.801 -3.080 1.867 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.187 -2.598 1.293 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.462 -3.007 0.122 1.00 0.00 H new ATOM 1283 N GLY A 96 0.473 1.818 0.994 1.00 0.00 N ATOM 1284 CA GLY A 96 0.617 3.247 1.183 1.00 0.00 C ATOM 1285 C GLY A 96 -0.289 3.725 2.309 1.00 0.00 C ATOM 1286 O GLY A 96 -1.002 2.928 2.916 1.00 0.00 O ATOM 0 H GLY A 96 -0.202 1.377 1.618 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.655 3.487 1.415 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.368 3.770 0.260 1.00 0.00 H new ATOM 1290 N LEU A 97 -0.259 5.030 2.588 1.00 0.00 N ATOM 1291 CA LEU A 97 -1.075 5.607 3.637 1.00 0.00 C ATOM 1292 C LEU A 97 -1.871 6.782 3.086 1.00 0.00 C ATOM 1293 O LEU A 97 -1.383 7.520 2.234 1.00 0.00 O ATOM 1294 CB LEU A 97 -0.179 6.055 4.789 1.00 0.00 C ATOM 1295 CG LEU A 97 0.830 7.079 4.280 1.00 0.00 C ATOM 1296 CD1 LEU A 97 1.025 8.168 5.331 1.00 0.00 C ATOM 1297 CD2 LEU A 97 2.164 6.388 4.009 1.00 0.00 C ATOM 0 H LEU A 97 0.328 5.703 2.094 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.777 4.860 4.008 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.783 6.489 5.586 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.341 5.197 5.214 1.00 0.00 H new ATOM 0 HG LEU A 97 0.459 7.527 3.358 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.746 8.900 4.967 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.073 8.662 5.524 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.396 7.721 6.254 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.885 7.120 3.645 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.535 5.940 4.930 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.025 5.611 3.258 1.00 0.00 H new ATOM 1309 N SER A 98 -3.101 6.953 3.576 1.00 0.00 N ATOM 1310 CA SER A 98 -3.956 8.036 3.132 1.00 0.00 C ATOM 1311 C SER A 98 -4.510 8.784 4.336 1.00 0.00 C ATOM 1312 O SER A 98 -4.751 8.187 5.383 1.00 0.00 O ATOM 1313 CB SER A 98 -5.087 7.472 2.278 1.00 0.00 C ATOM 1314 OG SER A 98 -5.925 6.669 3.079 1.00 0.00 O ATOM 0 HA SER A 98 -3.378 8.737 2.530 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.661 8.285 1.833 1.00 0.00 H new ATOM 0 HB3 SER A 98 -4.678 6.884 1.457 1.00 0.00 H new ATOM 0 HG SER A 98 -6.136 5.839 2.602 1.00 0.00 H new ATOM 1320 N ASP A 99 -4.713 10.094 4.185 1.00 0.00 N ATOM 1321 CA ASP A 99 -5.237 10.915 5.258 1.00 0.00 C ATOM 1322 C ASP A 99 -6.693 11.260 4.978 1.00 0.00 C ATOM 1323 O ASP A 99 -7.334 10.623 4.145 1.00 0.00 O ATOM 1324 CB ASP A 99 -4.396 12.182 5.385 1.00 0.00 C ATOM 1325 CG ASP A 99 -4.931 13.284 4.482 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -4.631 13.220 3.270 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -5.631 14.169 5.020 1.00 0.00 O ATOM 0 H ASP A 99 -4.519 10.603 3.323 1.00 0.00 H new ATOM 0 HA ASP A 99 -5.188 10.367 6.199 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -4.398 12.522 6.421 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -3.361 11.963 5.124 1.00 0.00 H new ATOM 1332 N ALA A 100 -7.214 12.272 5.677 1.00 0.00 N ATOM 1333 CA ALA A 100 -8.589 12.694 5.501 1.00 0.00 C ATOM 1334 C ALA A 100 -8.772 13.287 4.111 1.00 0.00 C ATOM 1335 O ALA A 100 -9.713 12.935 3.403 1.00 0.00 O ATOM 1336 CB ALA A 100 -8.947 13.716 6.576 1.00 0.00 C ATOM 0 H ALA A 100 -6.695 12.810 6.370 1.00 0.00 H new ATOM 0 HA ALA A 100 -9.253 11.835 5.598 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -9.981 14.035 6.445 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.828 13.265 7.561 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.288 14.580 6.491 1.00 0.00 H new ATOM 1342 N ALA A 101 -7.870 14.191 3.722 1.00 0.00 N ATOM 1343 CA ALA A 101 -7.937 14.828 2.422 1.00 0.00 C ATOM 1344 C ALA A 101 -7.697 13.796 1.329 1.00 0.00 C ATOM 1345 O ALA A 101 -8.076 14.007 0.180 1.00 0.00 O ATOM 1346 CB ALA A 101 -6.900 15.945 2.350 1.00 0.00 C ATOM 0 H ALA A 101 -7.084 14.494 4.298 1.00 0.00 H new ATOM 0 HA ALA A 101 -8.927 15.260 2.274 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -6.949 16.425 1.373 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -7.104 16.682 3.127 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -5.904 15.527 2.499 1.00 0.00 H new ATOM 1352 N GLY A 102 -7.064 12.677 1.690 1.00 0.00 N ATOM 1353 CA GLY A 102 -6.778 11.624 0.736 1.00 0.00 C ATOM 1354 C GLY A 102 -5.434 11.869 0.066 1.00 0.00 C ATOM 1355 O GLY A 102 -5.342 11.887 -1.159 1.00 0.00 O ATOM 0 H GLY A 102 -6.743 12.485 2.639 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -6.769 10.658 1.242 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -7.565 11.582 -0.017 1.00 0.00 H new ATOM 1359 N ASN A 103 -4.388 12.058 0.875 1.00 0.00 N ATOM 1360 CA ASN A 103 -3.057 12.300 0.356 1.00 0.00 C ATOM 1361 C ASN A 103 -2.064 11.351 1.013 1.00 0.00 C ATOM 1362 O ASN A 103 -2.354 10.768 2.055 1.00 0.00 O ATOM 1363 CB ASN A 103 -2.668 13.753 0.616 1.00 0.00 C ATOM 1364 CG ASN A 103 -1.780 13.866 1.846 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -0.693 14.437 1.779 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -2.245 13.322 2.973 1.00 0.00 N ATOM 0 H ASN A 103 -4.447 12.046 1.893 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.044 12.119 -0.719 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -2.146 14.155 -0.252 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -3.566 14.355 0.755 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -1.692 13.370 3.829 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -3.154 12.859 2.979 1.00 0.00 H new ATOM 1373 N GLY A 104 -0.888 11.197 0.400 1.00 0.00 N ATOM 1374 CA GLY A 104 0.137 10.321 0.931 1.00 0.00 C ATOM 1375 C GLY A 104 1.432 10.490 0.148 1.00 0.00 C ATOM 1376 O GLY A 104 1.499 11.291 -0.781 1.00 0.00 O ATOM 0 H GLY A 104 -0.630 11.672 -0.465 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.308 10.546 1.984 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.196 9.285 0.877 1.00 0.00 H new ATOM 1380 N PRO A 105 2.463 9.731 0.527 1.00 0.00 N ATOM 1381 CA PRO A 105 3.768 9.754 -0.099 1.00 0.00 C ATOM 1382 C PRO A 105 3.690 9.090 -1.466 1.00 0.00 C ATOM 1383 O PRO A 105 2.797 8.284 -1.716 1.00 0.00 O ATOM 1384 CB PRO A 105 4.669 8.961 0.845 1.00 0.00 C ATOM 1385 CG PRO A 105 3.702 7.961 1.476 1.00 0.00 C ATOM 1386 CD PRO A 105 2.419 8.778 1.615 1.00 0.00 C ATOM 0 HA PRO A 105 4.145 10.764 -0.257 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.476 8.461 0.309 1.00 0.00 H new ATOM 0 HB3 PRO A 105 5.134 9.602 1.594 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.557 7.084 0.845 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.061 7.604 2.441 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.537 8.142 1.547 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.375 9.282 2.580 1.00 0.00 H new ATOM 1394 N GLU A 106 4.628 9.432 -2.352 1.00 0.00 N ATOM 1395 CA GLU A 106 4.657 8.867 -3.687 1.00 0.00 C ATOM 1396 C GLU A 106 4.207 7.413 -3.645 1.00 0.00 C ATOM 1397 O GLU A 106 4.815 6.592 -2.962 1.00 0.00 O ATOM 1398 CB GLU A 106 6.069 8.980 -4.254 1.00 0.00 C ATOM 1399 CG GLU A 106 7.017 8.106 -3.438 1.00 0.00 C ATOM 1400 CD GLU A 106 8.468 8.427 -3.764 1.00 0.00 C ATOM 1401 OE1 GLU A 106 8.880 9.566 -3.456 1.00 0.00 O ATOM 1402 OE2 GLU A 106 9.139 7.527 -4.315 1.00 0.00 O ATOM 0 H GLU A 106 5.375 10.099 -2.161 1.00 0.00 H new ATOM 0 HA GLU A 106 3.973 9.418 -4.333 1.00 0.00 H new ATOM 0 HB2 GLU A 106 6.079 8.669 -5.299 1.00 0.00 H new ATOM 0 HB3 GLU A 106 6.401 10.018 -4.228 1.00 0.00 H new ATOM 0 HG2 GLU A 106 6.836 8.261 -2.374 1.00 0.00 H new ATOM 0 HG3 GLU A 106 6.818 7.055 -3.645 1.00 0.00 H new ATOM 1409 N GLY A 107 3.139 7.096 -4.380 1.00 0.00 N ATOM 1410 CA GLY A 107 2.618 5.744 -4.421 1.00 0.00 C ATOM 1411 C GLY A 107 3.758 4.737 -4.358 1.00 0.00 C ATOM 1412 O GLY A 107 4.853 5.004 -4.848 1.00 0.00 O ATOM 0 H GLY A 107 2.623 7.764 -4.953 1.00 0.00 H new ATOM 0 HA2 GLY A 107 1.936 5.584 -3.586 1.00 0.00 H new ATOM 0 HA3 GLY A 107 2.043 5.596 -5.335 1.00 0.00 H new ATOM 1416 N VAL A 108 3.497 3.576 -3.751 1.00 0.00 N ATOM 1417 CA VAL A 108 4.499 2.537 -3.627 1.00 0.00 C ATOM 1418 C VAL A 108 3.972 1.240 -4.224 1.00 0.00 C ATOM 1419 O VAL A 108 2.967 0.705 -3.761 1.00 0.00 O ATOM 1420 CB VAL A 108 4.856 2.350 -2.155 1.00 0.00 C ATOM 1421 CG1 VAL A 108 5.756 1.127 -2.001 1.00 0.00 C ATOM 1422 CG2 VAL A 108 5.589 3.588 -1.648 1.00 0.00 C ATOM 0 H VAL A 108 2.594 3.340 -3.339 1.00 0.00 H new ATOM 0 HA VAL A 108 5.398 2.825 -4.171 1.00 0.00 H new ATOM 0 HB VAL A 108 3.944 2.205 -1.576 1.00 0.00 H new ATOM 0 HG11 VAL A 108 6.011 0.993 -0.950 1.00 0.00 H new ATOM 0 HG12 VAL A 108 5.232 0.242 -2.363 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.668 1.271 -2.580 1.00 0.00 H new ATOM 0 HG21 VAL A 108 5.844 3.455 -0.597 1.00 0.00 H new ATOM 0 HG22 VAL A 108 6.501 3.734 -2.227 1.00 0.00 H new ATOM 0 HG23 VAL A 108 4.946 4.462 -1.757 1.00 0.00 H new ATOM 1432 N ALA A 109 4.654 0.735 -5.254 1.00 0.00 N ATOM 1433 CA ALA A 109 4.252 -0.494 -5.908 1.00 0.00 C ATOM 1434 C ALA A 109 5.073 -1.657 -5.370 1.00 0.00 C ATOM 1435 O ALA A 109 6.217 -1.475 -4.961 1.00 0.00 O ATOM 1436 CB ALA A 109 4.440 -0.352 -7.416 1.00 0.00 C ATOM 0 H ALA A 109 5.490 1.167 -5.648 1.00 0.00 H new ATOM 0 HA ALA A 109 3.200 -0.692 -5.703 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.138 -1.276 -7.909 1.00 0.00 H new ATOM 0 HB2 ALA A 109 3.828 0.472 -7.783 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.489 -0.150 -7.635 1.00 0.00 H new ATOM 1442 N ILE A 110 4.485 -2.856 -5.370 1.00 0.00 N ATOM 1443 CA ILE A 110 5.161 -4.042 -4.885 1.00 0.00 C ATOM 1444 C ILE A 110 5.128 -5.127 -5.952 1.00 0.00 C ATOM 1445 O ILE A 110 4.342 -5.050 -6.893 1.00 0.00 O ATOM 1446 CB ILE A 110 4.488 -4.522 -3.602 1.00 0.00 C ATOM 1447 CG1 ILE A 110 4.249 -3.332 -2.676 1.00 0.00 C ATOM 1448 CG2 ILE A 110 5.388 -5.537 -2.904 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.281 -3.737 -1.568 1.00 0.00 C ATOM 0 H ILE A 110 3.536 -3.022 -5.705 1.00 0.00 H new ATOM 0 HA ILE A 110 6.203 -3.808 -4.666 1.00 0.00 H new ATOM 0 HB ILE A 110 3.534 -4.990 -3.846 1.00 0.00 H new ATOM 0 HG12 ILE A 110 5.193 -2.997 -2.245 1.00 0.00 H new ATOM 0 HG13 ILE A 110 3.842 -2.494 -3.241 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.907 -5.880 -1.988 1.00 0.00 H new ATOM 0 HG22 ILE A 110 5.558 -6.387 -3.565 1.00 0.00 H new ATOM 0 HG23 ILE A 110 6.342 -5.070 -2.660 1.00 0.00 H new ATOM 0 HD11 ILE A 110 3.110 -2.888 -0.906 1.00 0.00 H new ATOM 0 HD12 ILE A 110 2.335 -4.051 -2.008 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.706 -4.562 -0.997 1.00 0.00 H new ATOM 1461 N SER A 111 5.984 -6.140 -5.802 1.00 0.00 N ATOM 1462 CA SER A 111 6.045 -7.234 -6.751 1.00 0.00 C ATOM 1463 C SER A 111 6.545 -8.493 -6.058 1.00 0.00 C ATOM 1464 O SER A 111 7.515 -8.446 -5.304 1.00 0.00 O ATOM 1465 CB SER A 111 6.966 -6.851 -7.907 1.00 0.00 C ATOM 1466 OG SER A 111 7.261 -7.999 -8.672 1.00 0.00 O ATOM 0 H SER A 111 6.643 -6.218 -5.027 1.00 0.00 H new ATOM 0 HA SER A 111 5.049 -7.433 -7.146 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.488 -6.097 -8.532 1.00 0.00 H new ATOM 0 HB3 SER A 111 7.886 -6.410 -7.523 1.00 0.00 H new ATOM 0 HG SER A 111 7.851 -7.754 -9.415 1.00 0.00 H new ATOM 1472 N PHE A 112 5.880 -9.622 -6.314 1.00 0.00 N ATOM 1473 CA PHE A 112 6.261 -10.885 -5.714 1.00 0.00 C ATOM 1474 C PHE A 112 7.015 -11.732 -6.729 1.00 0.00 C ATOM 1475 O PHE A 112 6.518 -11.980 -7.825 1.00 0.00 O ATOM 1476 CB PHE A 112 5.012 -11.611 -5.224 1.00 0.00 C ATOM 1477 CG PHE A 112 4.424 -11.019 -3.966 1.00 0.00 C ATOM 1478 CD1 PHE A 112 3.968 -9.696 -3.961 1.00 0.00 C ATOM 1479 CD2 PHE A 112 4.334 -11.794 -2.803 1.00 0.00 C ATOM 1480 CE1 PHE A 112 3.421 -9.148 -2.794 1.00 0.00 C ATOM 1481 CE2 PHE A 112 3.788 -11.247 -1.637 1.00 0.00 C ATOM 1482 CZ PHE A 112 3.332 -9.923 -1.632 1.00 0.00 C ATOM 0 H PHE A 112 5.074 -9.678 -6.936 1.00 0.00 H new ATOM 0 HA PHE A 112 6.918 -10.705 -4.863 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.258 -11.592 -6.011 1.00 0.00 H new ATOM 0 HB3 PHE A 112 5.258 -12.657 -5.043 1.00 0.00 H new ATOM 0 HD1 PHE A 112 4.038 -9.097 -4.857 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.686 -12.815 -2.806 1.00 0.00 H new ATOM 0 HE1 PHE A 112 3.068 -8.127 -2.791 1.00 0.00 H new ATOM 0 HE2 PHE A 112 3.718 -11.846 -0.741 1.00 0.00 H new ATOM 0 HZ PHE A 112 2.912 -9.500 -0.732 1.00 0.00 H new ATOM 1492 N ASN A 113 8.220 -12.176 -6.362 1.00 0.00 N ATOM 1493 CA ASN A 113 9.033 -12.991 -7.241 1.00 0.00 C ATOM 1494 C ASN A 113 9.455 -12.181 -8.459 1.00 0.00 C ATOM 1495 O ASN A 113 10.144 -11.172 -8.327 1.00 0.00 O ATOM 1496 CB ASN A 113 8.242 -14.226 -7.663 1.00 0.00 C ATOM 1497 CG ASN A 113 7.730 -14.985 -6.446 1.00 0.00 C ATOM 1498 OD1 ASN A 113 8.439 -15.820 -5.890 1.00 0.00 O ATOM 1499 ND2 ASN A 113 6.495 -14.690 -6.033 1.00 0.00 N ATOM 0 H ASN A 113 8.647 -11.979 -5.457 1.00 0.00 H new ATOM 0 HA ASN A 113 9.932 -13.311 -6.715 1.00 0.00 H new ATOM 0 HB2 ASN A 113 7.402 -13.928 -8.291 1.00 0.00 H new ATOM 0 HB3 ASN A 113 8.874 -14.879 -8.265 1.00 0.00 H new ATOM 0 HD21 ASN A 113 6.101 -15.166 -5.222 1.00 0.00 H new ATOM 0 HD22 ASN A 113 5.945 -13.988 -6.529 1.00 0.00 H new TER 1506 ASN A 113