USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 723 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= -0.0284 USER MOD Set 1.2: A 65 THR OG1 : rot -170:sc= -0.82 USER MOD Set 2.1: A 36 GLN : amide:sc= -16.4! C(o=-21!,f=-24!) USER MOD Set 2.2: A 48 ASN : amide:sc= -4.14! C(o=-21!,f=-35!) USER MOD Set 3.1: A 37 CYS SG : rot -65:sc= -9.73! USER MOD Set 3.2: A 47 CYS SG : rot -83:sc= -9.05! USER MOD Set 4.1: A 27 GLN :FLIP amide:sc= -5.6! C(o=-19!,f=-11!) USER MOD Set 4.2: A 32 TYR OH : rot 63:sc= 1.53 USER MOD Set 4.3: A 103 ASN : amide:sc= -7.08! C(o=-11!,f=-14!) USER MOD Single : A 4 THR OG1 : rot -14:sc= 0.0687 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.41 USER MOD Single : A 8 THR OG1 : rot 180:sc= -3.78! USER MOD Single : A 10 SER OG : rot 29:sc= 0.902 USER MOD Single : A 11 SER OG : rot 54:sc= 1.12 USER MOD Single : A 14 SER OG : rot 180:sc= 0.0862 USER MOD Single : A 17 THR OG1 : rot 81:sc= -1.08! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -160:sc= -0.206 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 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=-0.067) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -28:sc= 0.446! USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 110:sc= -0.175 USER MOD Single : A 72 SER OG : rot 56:sc= -2.28! USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.104 USER MOD Single : A 89 THR OG1 : rot -23:sc= 0.774 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.0814 K(o=-0.081,f=-2.1!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= -0.0586 USER MOD Single : A 113 ASN :FLIP amide:sc= -0.574 F(o=-2.6,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 11 N ALA A 2 3.007 12.571 -4.935 1.00 0.00 N ATOM 12 CA ALA A 2 3.643 11.534 -4.148 1.00 0.00 C ATOM 13 C ALA A 2 5.007 12.013 -3.670 1.00 0.00 C ATOM 14 O ALA A 2 5.874 12.331 -4.481 1.00 0.00 O ATOM 15 CB ALA A 2 3.778 10.268 -4.989 1.00 0.00 C ATOM 0 HA ALA A 2 3.032 11.309 -3.274 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.256 9.487 -4.397 1.00 0.00 H new ATOM 0 HB2 ALA A 2 2.789 9.932 -5.302 1.00 0.00 H new ATOM 0 HB3 ALA A 2 4.385 10.479 -5.870 1.00 0.00 H new ATOM 21 N PRO A 3 5.195 12.063 -2.350 1.00 0.00 N ATOM 22 CA PRO A 3 6.424 12.490 -1.717 1.00 0.00 C ATOM 23 C PRO A 3 7.491 11.420 -1.899 1.00 0.00 C ATOM 24 O PRO A 3 7.264 10.425 -2.584 1.00 0.00 O ATOM 25 CB PRO A 3 6.066 12.660 -0.242 1.00 0.00 C ATOM 26 CG PRO A 3 4.954 11.631 -0.043 1.00 0.00 C ATOM 27 CD PRO A 3 4.198 11.696 -1.368 1.00 0.00 C ATOM 0 HA PRO A 3 6.822 13.412 -2.142 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.920 12.464 0.407 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.725 13.672 -0.023 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.353 10.635 0.147 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.314 11.885 0.802 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.741 10.736 -1.609 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.394 12.431 -1.328 1.00 0.00 H new ATOM 35 N THR A 4 8.659 11.627 -1.286 1.00 0.00 N ATOM 36 CA THR A 4 9.750 10.679 -1.387 1.00 0.00 C ATOM 37 C THR A 4 9.780 9.788 -0.154 1.00 0.00 C ATOM 38 O THR A 4 10.113 10.245 0.937 1.00 0.00 O ATOM 39 CB THR A 4 11.067 11.436 -1.540 1.00 0.00 C ATOM 40 OG1 THR A 4 11.270 11.756 -2.898 1.00 0.00 O ATOM 41 CG2 THR A 4 12.216 10.562 -1.046 1.00 0.00 C ATOM 0 H THR A 4 8.865 12.447 -0.715 1.00 0.00 H new ATOM 0 HA THR A 4 9.605 10.046 -2.262 1.00 0.00 H new ATOM 0 HB THR A 4 11.030 12.353 -0.952 1.00 0.00 H new ATOM 0 HG1 THR A 4 10.648 11.239 -3.452 1.00 0.00 H new ATOM 0 HG21 THR A 4 13.157 11.102 -1.155 1.00 0.00 H new ATOM 0 HG22 THR A 4 12.059 10.314 0.004 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.254 9.645 -1.634 1.00 0.00 H new ATOM 49 N ALA A 5 9.431 8.512 -0.330 1.00 0.00 N ATOM 50 CA ALA A 5 9.418 7.564 0.766 1.00 0.00 C ATOM 51 C ALA A 5 10.254 6.346 0.403 1.00 0.00 C ATOM 52 O ALA A 5 10.342 5.976 -0.766 1.00 0.00 O ATOM 53 CB ALA A 5 7.978 7.161 1.071 1.00 0.00 C ATOM 0 H ALA A 5 9.154 8.118 -1.229 1.00 0.00 H new ATOM 0 HA ALA A 5 9.849 8.023 1.656 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.967 6.448 1.895 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.404 8.045 1.348 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.534 6.702 0.188 1.00 0.00 H new ATOM 59 N THR A 6 10.870 5.720 1.409 1.00 0.00 N ATOM 60 CA THR A 6 11.694 4.549 1.187 1.00 0.00 C ATOM 61 C THR A 6 11.044 3.330 1.825 1.00 0.00 C ATOM 62 O THR A 6 10.864 3.283 3.040 1.00 0.00 O ATOM 63 CB THR A 6 13.084 4.787 1.769 1.00 0.00 C ATOM 64 OG1 THR A 6 12.969 5.492 2.985 1.00 0.00 O ATOM 65 CG2 THR A 6 13.915 5.605 0.784 1.00 0.00 C ATOM 0 H THR A 6 10.808 6.012 2.384 1.00 0.00 H new ATOM 0 HA THR A 6 11.789 4.366 0.117 1.00 0.00 H new ATOM 0 HB THR A 6 13.572 3.829 1.948 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.861 5.644 3.361 1.00 0.00 H new ATOM 0 HG21 THR A 6 14.908 5.775 1.200 1.00 0.00 H new ATOM 0 HG22 THR A 6 14.003 5.061 -0.157 1.00 0.00 H new ATOM 0 HG23 THR A 6 13.428 6.563 0.605 1.00 0.00 H new ATOM 73 N VAL A 7 10.692 2.340 1.001 1.00 0.00 N ATOM 74 CA VAL A 7 10.066 1.127 1.486 1.00 0.00 C ATOM 75 C VAL A 7 11.002 -0.055 1.277 1.00 0.00 C ATOM 76 O VAL A 7 11.744 -0.096 0.298 1.00 0.00 O ATOM 77 CB VAL A 7 8.746 0.908 0.752 1.00 0.00 C ATOM 78 CG1 VAL A 7 8.052 -0.331 1.310 1.00 0.00 C ATOM 79 CG2 VAL A 7 7.847 2.126 0.949 1.00 0.00 C ATOM 0 H VAL A 7 10.835 2.364 -0.009 1.00 0.00 H new ATOM 0 HA VAL A 7 9.862 1.220 2.553 1.00 0.00 H new ATOM 0 HB VAL A 7 8.941 0.767 -0.311 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.109 -0.487 0.786 1.00 0.00 H new ATOM 0 HG12 VAL A 7 8.693 -1.201 1.170 1.00 0.00 H new ATOM 0 HG13 VAL A 7 7.857 -0.191 2.373 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.904 1.971 0.425 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.653 2.267 2.012 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.342 3.012 0.550 1.00 0.00 H new ATOM 89 N THR A 8 10.965 -1.020 2.199 1.00 0.00 N ATOM 90 CA THR A 8 11.809 -2.194 2.106 1.00 0.00 C ATOM 91 C THR A 8 11.352 -3.070 0.949 1.00 0.00 C ATOM 92 O THR A 8 10.264 -2.877 0.412 1.00 0.00 O ATOM 93 CB THR A 8 11.753 -2.964 3.423 1.00 0.00 C ATOM 94 OG1 THR A 8 13.054 -3.372 3.784 1.00 0.00 O ATOM 95 CG2 THR A 8 10.863 -4.192 3.256 1.00 0.00 C ATOM 0 H THR A 8 10.355 -1.003 3.017 1.00 0.00 H new ATOM 0 HA THR A 8 12.839 -1.892 1.919 1.00 0.00 H new ATOM 0 HB THR A 8 11.344 -2.322 4.203 1.00 0.00 H new ATOM 0 HG1 THR A 8 13.019 -3.865 4.630 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.822 -4.742 4.196 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.858 -3.877 2.976 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.272 -4.835 2.477 1.00 0.00 H new ATOM 103 N PRO A 9 12.189 -4.038 0.566 1.00 0.00 N ATOM 104 CA PRO A 9 11.924 -4.967 -0.511 1.00 0.00 C ATOM 105 C PRO A 9 10.859 -5.963 -0.075 1.00 0.00 C ATOM 106 O PRO A 9 11.065 -6.722 0.869 1.00 0.00 O ATOM 107 CB PRO A 9 13.258 -5.666 -0.762 1.00 0.00 C ATOM 108 CG PRO A 9 13.916 -5.644 0.617 1.00 0.00 C ATOM 109 CD PRO A 9 13.476 -4.293 1.176 1.00 0.00 C ATOM 0 HA PRO A 9 11.553 -4.478 -1.412 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.119 -6.683 -1.128 1.00 0.00 H new ATOM 0 HB3 PRO A 9 13.857 -5.139 -1.505 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.577 -6.471 1.241 1.00 0.00 H new ATOM 0 HG3 PRO A 9 15.001 -5.720 0.549 1.00 0.00 H new ATOM 0 HD2 PRO A 9 13.399 -4.321 2.263 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.193 -3.510 0.928 1.00 0.00 H new ATOM 117 N SER A 10 9.717 -5.958 -0.766 1.00 0.00 N ATOM 118 CA SER A 10 8.628 -6.859 -0.447 1.00 0.00 C ATOM 119 C SER A 10 8.196 -7.612 -1.698 1.00 0.00 C ATOM 120 O SER A 10 7.144 -8.247 -1.711 1.00 0.00 O ATOM 121 CB SER A 10 7.463 -6.063 0.133 1.00 0.00 C ATOM 122 OG SER A 10 6.246 -6.656 -0.261 1.00 0.00 O ATOM 0 H SER A 10 9.530 -5.334 -1.551 1.00 0.00 H new ATOM 0 HA SER A 10 8.959 -7.586 0.294 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.532 -6.037 1.221 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.506 -5.030 -0.214 1.00 0.00 H new ATOM 0 HG SER A 10 6.380 -7.617 -0.400 1.00 0.00 H new ATOM 128 N SER A 11 9.014 -7.542 -2.750 1.00 0.00 N ATOM 129 CA SER A 11 8.715 -8.217 -3.997 1.00 0.00 C ATOM 130 C SER A 11 9.357 -9.597 -4.004 1.00 0.00 C ATOM 131 O SER A 11 10.572 -9.718 -4.148 1.00 0.00 O ATOM 132 CB SER A 11 9.223 -7.377 -5.165 1.00 0.00 C ATOM 133 OG SER A 11 10.633 -7.373 -5.161 1.00 0.00 O ATOM 0 H SER A 11 9.890 -7.020 -2.754 1.00 0.00 H new ATOM 0 HA SER A 11 7.637 -8.340 -4.098 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.852 -7.782 -6.107 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.845 -6.358 -5.086 1.00 0.00 H new ATOM 0 HG SER A 11 10.963 -8.296 -5.152 1.00 0.00 H new ATOM 139 N GLY A 12 8.539 -10.641 -3.850 1.00 0.00 N ATOM 140 CA GLY A 12 9.035 -12.002 -3.842 1.00 0.00 C ATOM 141 C GLY A 12 9.143 -12.515 -2.413 1.00 0.00 C ATOM 142 O GLY A 12 9.900 -13.444 -2.139 1.00 0.00 O ATOM 0 H GLY A 12 7.529 -10.560 -3.730 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.367 -12.643 -4.417 1.00 0.00 H new ATOM 0 HA3 GLY A 12 10.011 -12.044 -4.326 1.00 0.00 H new ATOM 146 N LEU A 13 8.381 -11.908 -1.500 1.00 0.00 N ATOM 147 CA LEU A 13 8.393 -12.304 -0.106 1.00 0.00 C ATOM 148 C LEU A 13 7.078 -12.983 0.250 1.00 0.00 C ATOM 149 O LEU A 13 6.016 -12.558 -0.200 1.00 0.00 O ATOM 150 CB LEU A 13 8.621 -11.075 0.770 1.00 0.00 C ATOM 151 CG LEU A 13 9.545 -10.100 0.046 1.00 0.00 C ATOM 152 CD1 LEU A 13 10.276 -9.237 1.071 1.00 0.00 C ATOM 153 CD2 LEU A 13 10.563 -10.882 -0.779 1.00 0.00 C ATOM 0 H LEU A 13 7.747 -11.137 -1.711 1.00 0.00 H new ATOM 0 HA LEU A 13 9.203 -13.013 0.067 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.669 -10.593 0.994 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.061 -11.370 1.723 1.00 0.00 H new ATOM 0 HG LEU A 13 8.956 -9.462 -0.613 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.936 -8.540 0.555 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.549 -8.679 1.661 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.865 -9.875 1.730 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.223 -10.186 -1.297 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.152 -11.520 -0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.041 -11.499 -1.510 1.00 0.00 H new ATOM 165 N SER A 14 7.151 -14.041 1.060 1.00 0.00 N ATOM 166 CA SER A 14 5.969 -14.771 1.472 1.00 0.00 C ATOM 167 C SER A 14 5.394 -14.150 2.737 1.00 0.00 C ATOM 168 O SER A 14 5.999 -13.255 3.323 1.00 0.00 O ATOM 169 CB SER A 14 6.331 -16.235 1.704 1.00 0.00 C ATOM 170 OG SER A 14 7.730 -16.359 1.825 1.00 0.00 O ATOM 0 H SER A 14 8.024 -14.406 1.441 1.00 0.00 H new ATOM 0 HA SER A 14 5.213 -14.718 0.689 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.843 -16.603 2.607 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.971 -16.845 0.876 1.00 0.00 H new ATOM 0 HG SER A 14 7.963 -17.299 1.976 1.00 0.00 H new ATOM 176 N ASP A 15 4.221 -14.629 3.159 1.00 0.00 N ATOM 177 CA ASP A 15 3.571 -14.121 4.350 1.00 0.00 C ATOM 178 C ASP A 15 4.591 -13.979 5.472 1.00 0.00 C ATOM 179 O ASP A 15 5.586 -14.698 5.502 1.00 0.00 O ATOM 180 CB ASP A 15 2.446 -15.067 4.758 1.00 0.00 C ATOM 181 CG ASP A 15 2.966 -16.487 4.931 1.00 0.00 C ATOM 182 OD1 ASP A 15 3.914 -16.838 4.195 1.00 0.00 O ATOM 183 OD2 ASP A 15 2.406 -17.196 5.795 1.00 0.00 O ATOM 0 H ASP A 15 3.707 -15.372 2.685 1.00 0.00 H new ATOM 0 HA ASP A 15 3.145 -13.139 4.146 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.997 -14.724 5.690 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.661 -15.053 4.002 1.00 0.00 H new ATOM 188 N GLY A 16 4.341 -13.047 6.395 1.00 0.00 N ATOM 189 CA GLY A 16 5.240 -12.821 7.509 1.00 0.00 C ATOM 190 C GLY A 16 6.203 -11.686 7.188 1.00 0.00 C ATOM 191 O GLY A 16 6.761 -11.067 8.091 1.00 0.00 O ATOM 0 H GLY A 16 3.521 -12.441 6.385 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.667 -12.579 8.404 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.799 -13.732 7.725 1.00 0.00 H new ATOM 195 N THR A 17 6.398 -11.415 5.895 1.00 0.00 N ATOM 196 CA THR A 17 7.291 -10.358 5.466 1.00 0.00 C ATOM 197 C THR A 17 6.772 -9.011 5.951 1.00 0.00 C ATOM 198 O THR A 17 5.567 -8.826 6.104 1.00 0.00 O ATOM 199 CB THR A 17 7.405 -10.377 3.944 1.00 0.00 C ATOM 200 OG1 THR A 17 8.105 -11.532 3.540 1.00 0.00 O ATOM 201 CG2 THR A 17 8.158 -9.135 3.475 1.00 0.00 C ATOM 0 H THR A 17 5.945 -11.919 5.133 1.00 0.00 H new ATOM 0 HA THR A 17 8.280 -10.518 5.895 1.00 0.00 H new ATOM 0 HB THR A 17 6.408 -10.384 3.505 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.496 -12.300 3.539 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.240 -9.148 2.388 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.617 -8.242 3.788 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.156 -9.127 3.914 1.00 0.00 H new ATOM 209 N VAL A 18 7.687 -8.070 6.191 1.00 0.00 N ATOM 210 CA VAL A 18 7.321 -6.748 6.656 1.00 0.00 C ATOM 211 C VAL A 18 8.004 -5.692 5.798 1.00 0.00 C ATOM 212 O VAL A 18 9.228 -5.574 5.814 1.00 0.00 O ATOM 213 CB VAL A 18 7.720 -6.596 8.121 1.00 0.00 C ATOM 214 CG1 VAL A 18 6.491 -6.785 9.006 1.00 0.00 C ATOM 215 CG2 VAL A 18 8.767 -7.647 8.474 1.00 0.00 C ATOM 0 H VAL A 18 8.690 -8.209 6.068 1.00 0.00 H new ATOM 0 HA VAL A 18 6.243 -6.614 6.571 1.00 0.00 H new ATOM 0 HB VAL A 18 8.134 -5.601 8.283 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.776 -6.676 10.052 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.742 -6.034 8.754 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.076 -7.780 8.844 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.053 -7.539 9.520 1.00 0.00 H new ATOM 0 HG22 VAL A 18 8.353 -8.642 8.312 1.00 0.00 H new ATOM 0 HG23 VAL A 18 9.645 -7.512 7.843 1.00 0.00 H new ATOM 225 N VAL A 19 7.210 -4.924 5.049 1.00 0.00 N ATOM 226 CA VAL A 19 7.741 -3.885 4.190 1.00 0.00 C ATOM 227 C VAL A 19 7.652 -2.539 4.896 1.00 0.00 C ATOM 228 O VAL A 19 6.562 -2.084 5.234 1.00 0.00 O ATOM 229 CB VAL A 19 6.960 -3.861 2.879 1.00 0.00 C ATOM 230 CG1 VAL A 19 5.936 -4.992 2.876 1.00 0.00 C ATOM 231 CG2 VAL A 19 6.239 -2.523 2.742 1.00 0.00 C ATOM 0 H VAL A 19 6.194 -5.009 5.026 1.00 0.00 H new ATOM 0 HA VAL A 19 8.789 -4.089 3.969 1.00 0.00 H new ATOM 0 HB VAL A 19 7.648 -3.991 2.044 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.378 -4.975 1.940 1.00 0.00 H new ATOM 0 HG12 VAL A 19 6.450 -5.948 2.975 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.248 -4.862 3.711 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.681 -2.505 1.806 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.551 -2.393 3.577 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.970 -1.714 2.745 1.00 0.00 H new ATOM 241 N LYS A 20 8.805 -1.902 5.117 1.00 0.00 N ATOM 242 CA LYS A 20 8.849 -0.614 5.780 1.00 0.00 C ATOM 243 C LYS A 20 8.441 0.484 4.808 1.00 0.00 C ATOM 244 O LYS A 20 8.723 0.396 3.615 1.00 0.00 O ATOM 245 CB LYS A 20 10.257 -0.366 6.314 1.00 0.00 C ATOM 246 CG LYS A 20 10.172 0.380 7.643 1.00 0.00 C ATOM 247 CD LYS A 20 10.170 1.884 7.383 1.00 0.00 C ATOM 248 CE LYS A 20 11.588 2.428 7.534 1.00 0.00 C ATOM 249 NZ LYS A 20 11.675 3.371 8.659 1.00 0.00 N ATOM 0 H LYS A 20 9.718 -2.266 4.842 1.00 0.00 H new ATOM 0 HA LYS A 20 8.150 -0.609 6.616 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.779 -1.314 6.449 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.833 0.215 5.594 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.267 0.091 8.177 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.016 0.111 8.278 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.795 2.090 6.381 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.501 2.384 8.083 1.00 0.00 H new ATOM 0 HE2 LYS A 20 12.283 1.603 7.692 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.890 2.927 6.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 12.649 3.726 8.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 11.028 4.169 8.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.409 2.886 9.540 1.00 0.00 H new ATOM 263 N VAL A 21 7.773 1.519 5.322 1.00 0.00 N ATOM 264 CA VAL A 21 7.329 2.627 4.499 1.00 0.00 C ATOM 265 C VAL A 21 7.720 3.943 5.155 1.00 0.00 C ATOM 266 O VAL A 21 7.078 4.380 6.108 1.00 0.00 O ATOM 267 CB VAL A 21 5.817 2.545 4.310 1.00 0.00 C ATOM 268 CG1 VAL A 21 5.471 2.825 2.851 1.00 0.00 C ATOM 269 CG2 VAL A 21 5.332 1.148 4.689 1.00 0.00 C ATOM 0 H VAL A 21 7.531 1.605 6.309 1.00 0.00 H new ATOM 0 HA VAL A 21 7.807 2.574 3.521 1.00 0.00 H new ATOM 0 HB VAL A 21 5.331 3.284 4.947 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.391 2.767 2.715 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.817 3.822 2.580 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.957 2.086 2.214 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.252 1.089 4.554 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.818 0.409 4.052 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.579 0.947 5.732 1.00 0.00 H new ATOM 279 N ALA A 22 8.777 4.577 4.641 1.00 0.00 N ATOM 280 CA ALA A 22 9.248 5.837 5.178 1.00 0.00 C ATOM 281 C ALA A 22 9.035 6.945 4.156 1.00 0.00 C ATOM 282 O ALA A 22 9.624 6.919 3.077 1.00 0.00 O ATOM 283 CB ALA A 22 10.725 5.714 5.541 1.00 0.00 C ATOM 0 H ALA A 22 9.319 4.229 3.850 1.00 0.00 H new ATOM 0 HA ALA A 22 8.685 6.086 6.078 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.080 6.662 5.945 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.852 4.930 6.288 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.299 5.462 4.649 1.00 0.00 H new ATOM 289 N GLY A 23 8.189 7.920 4.496 1.00 0.00 N ATOM 290 CA GLY A 23 7.906 9.027 3.605 1.00 0.00 C ATOM 291 C GLY A 23 8.917 10.146 3.815 1.00 0.00 C ATOM 292 O GLY A 23 9.352 10.390 4.938 1.00 0.00 O ATOM 0 H GLY A 23 7.691 7.957 5.386 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.939 8.687 2.570 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.898 9.400 3.786 1.00 0.00 H new ATOM 296 N ALA A 24 9.291 10.825 2.728 1.00 0.00 N ATOM 297 CA ALA A 24 10.248 11.911 2.797 1.00 0.00 C ATOM 298 C ALA A 24 9.774 13.071 1.933 1.00 0.00 C ATOM 299 O ALA A 24 9.809 12.990 0.708 1.00 0.00 O ATOM 300 CB ALA A 24 11.614 11.414 2.332 1.00 0.00 C ATOM 0 H ALA A 24 8.939 10.634 1.790 1.00 0.00 H new ATOM 0 HA ALA A 24 10.334 12.261 3.826 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.335 12.230 2.383 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.943 10.598 2.976 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.541 11.058 1.304 1.00 0.00 H new ATOM 306 N GLY A 25 9.329 14.154 2.575 1.00 0.00 N ATOM 307 CA GLY A 25 8.851 15.320 1.860 1.00 0.00 C ATOM 308 C GLY A 25 7.330 15.316 1.799 1.00 0.00 C ATOM 309 O GLY A 25 6.741 15.895 0.889 1.00 0.00 O ATOM 0 H GLY A 25 9.293 14.239 3.591 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.199 16.227 2.355 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.262 15.330 0.851 1.00 0.00 H new ATOM 313 N LEU A 26 6.695 14.658 2.772 1.00 0.00 N ATOM 314 CA LEU A 26 5.249 14.581 2.825 1.00 0.00 C ATOM 315 C LEU A 26 4.695 15.774 3.591 1.00 0.00 C ATOM 316 O LEU A 26 5.446 16.661 3.989 1.00 0.00 O ATOM 317 CB LEU A 26 4.834 13.272 3.491 1.00 0.00 C ATOM 318 CG LEU A 26 5.813 12.169 3.098 1.00 0.00 C ATOM 319 CD1 LEU A 26 5.056 10.856 2.920 1.00 0.00 C ATOM 320 CD2 LEU A 26 6.499 12.542 1.787 1.00 0.00 C ATOM 0 H LEU A 26 7.170 14.172 3.533 1.00 0.00 H new ATOM 0 HA LEU A 26 4.843 14.604 1.814 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.820 13.391 4.574 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.823 13.001 3.187 1.00 0.00 H new ATOM 0 HG LEU A 26 6.563 12.053 3.881 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.755 10.068 2.639 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.565 10.589 3.856 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.306 10.972 2.137 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.198 11.755 1.506 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.749 12.658 1.004 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.040 13.480 1.913 1.00 0.00 H new ATOM 332 N GLN A 27 3.376 15.793 3.797 1.00 0.00 N ATOM 333 CA GLN A 27 2.731 16.875 4.512 1.00 0.00 C ATOM 334 C GLN A 27 3.019 16.755 6.002 1.00 0.00 C ATOM 335 O GLN A 27 2.710 15.736 6.616 1.00 0.00 O ATOM 336 CB GLN A 27 1.228 16.833 4.247 1.00 0.00 C ATOM 337 CG GLN A 27 0.946 17.330 2.832 1.00 0.00 C ATOM 338 CD GLN A 27 -0.478 16.997 2.414 1.00 0.00 C ATOM 339 OE1 GLN A 27 -0.803 15.702 2.374 1.00 0.00 O flip ATOM 340 NE2 GLN A 27 -1.271 17.893 2.133 1.00 0.00 N flip ATOM 0 H GLN A 27 2.740 15.064 3.474 1.00 0.00 H new ATOM 0 HA GLN A 27 3.123 17.830 4.163 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.855 15.816 4.368 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.703 17.453 4.973 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.101 18.408 2.783 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.650 16.875 2.135 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.976 18.868 2.178 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.224 17.661 1.854 1.00 0.00 H new ATOM 349 N ALA A 28 3.613 17.800 6.583 1.00 0.00 N ATOM 350 CA ALA A 28 3.940 17.806 7.995 1.00 0.00 C ATOM 351 C ALA A 28 2.667 17.938 8.818 1.00 0.00 C ATOM 352 O ALA A 28 1.842 18.809 8.552 1.00 0.00 O ATOM 353 CB ALA A 28 4.897 18.957 8.289 1.00 0.00 C ATOM 0 H ALA A 28 3.875 18.652 6.088 1.00 0.00 H new ATOM 0 HA ALA A 28 4.427 16.869 8.264 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.144 18.963 9.351 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.809 18.830 7.705 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.423 19.901 8.022 1.00 0.00 H new ATOM 359 N GLY A 29 2.508 17.071 9.821 1.00 0.00 N ATOM 360 CA GLY A 29 1.336 17.100 10.673 1.00 0.00 C ATOM 361 C GLY A 29 0.131 16.538 9.932 1.00 0.00 C ATOM 362 O GLY A 29 -0.996 16.629 10.414 1.00 0.00 O ATOM 0 H GLY A 29 3.182 16.343 10.056 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.520 16.518 11.576 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.133 18.123 10.989 1.00 0.00 H new ATOM 366 N THR A 30 0.370 15.956 8.755 1.00 0.00 N ATOM 367 CA THR A 30 -0.696 15.384 7.958 1.00 0.00 C ATOM 368 C THR A 30 -0.775 13.883 8.196 1.00 0.00 C ATOM 369 O THR A 30 0.251 13.214 8.304 1.00 0.00 O ATOM 370 CB THR A 30 -0.444 15.684 6.483 1.00 0.00 C ATOM 371 OG1 THR A 30 -1.317 16.706 6.055 1.00 0.00 O ATOM 372 CG2 THR A 30 -0.693 14.425 5.657 1.00 0.00 C ATOM 0 H THR A 30 1.298 15.873 8.339 1.00 0.00 H new ATOM 0 HA THR A 30 -1.648 15.827 8.250 1.00 0.00 H new ATOM 0 HB THR A 30 0.588 16.008 6.350 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.391 16.685 5.078 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.513 14.639 4.604 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.019 13.634 5.987 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.725 14.101 5.790 1.00 0.00 H new ATOM 380 N ALA A 31 -1.998 13.355 8.279 1.00 0.00 N ATOM 381 CA ALA A 31 -2.205 11.939 8.505 1.00 0.00 C ATOM 382 C ALA A 31 -2.220 11.201 7.174 1.00 0.00 C ATOM 383 O ALA A 31 -2.580 11.775 6.148 1.00 0.00 O ATOM 384 CB ALA A 31 -3.519 11.731 9.254 1.00 0.00 C ATOM 0 H ALA A 31 -2.858 13.897 8.192 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.390 11.540 9.109 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.676 10.666 9.425 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.478 12.250 10.212 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.343 12.129 8.661 1.00 0.00 H new ATOM 390 N TYR A 32 -1.828 9.925 7.192 1.00 0.00 N ATOM 391 CA TYR A 32 -1.797 9.120 5.988 1.00 0.00 C ATOM 392 C TYR A 32 -2.349 7.732 6.281 1.00 0.00 C ATOM 393 O TYR A 32 -2.223 7.234 7.398 1.00 0.00 O ATOM 394 CB TYR A 32 -0.363 9.034 5.472 1.00 0.00 C ATOM 395 CG TYR A 32 0.061 10.239 4.666 1.00 0.00 C ATOM 396 CD1 TYR A 32 -0.387 10.392 3.348 1.00 0.00 C ATOM 397 CD2 TYR A 32 0.900 11.202 5.237 1.00 0.00 C ATOM 398 CE1 TYR A 32 0.006 11.509 2.601 1.00 0.00 C ATOM 399 CE2 TYR A 32 1.293 12.320 4.490 1.00 0.00 C ATOM 400 CZ TYR A 32 0.845 12.473 3.172 1.00 0.00 C ATOM 401 OH TYR A 32 1.227 13.562 2.445 1.00 0.00 O ATOM 0 H TYR A 32 -1.528 9.434 8.034 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.419 9.582 5.221 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.313 8.917 6.319 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.260 8.140 4.856 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.035 9.649 2.908 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.245 11.083 6.254 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.338 11.627 1.584 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.941 13.063 4.930 1.00 0.00 H new ATOM 0 HH TYR A 32 0.437 14.091 2.209 1.00 0.00 H new ATOM 411 N ASP A 33 -2.962 7.106 5.273 1.00 0.00 N ATOM 412 CA ASP A 33 -3.529 5.782 5.428 1.00 0.00 C ATOM 413 C ASP A 33 -2.731 4.780 4.605 1.00 0.00 C ATOM 414 O ASP A 33 -2.727 4.846 3.378 1.00 0.00 O ATOM 415 CB ASP A 33 -4.990 5.801 4.988 1.00 0.00 C ATOM 416 CG ASP A 33 -5.911 6.056 6.172 1.00 0.00 C ATOM 417 OD1 ASP A 33 -5.620 5.493 7.250 1.00 0.00 O ATOM 418 OD2 ASP A 33 -6.890 6.810 5.979 1.00 0.00 O ATOM 0 H ASP A 33 -3.074 7.504 4.341 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.482 5.482 6.475 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.137 6.575 4.235 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.246 4.850 4.522 1.00 0.00 H new ATOM 423 N VAL A 34 -2.054 3.852 5.285 1.00 0.00 N ATOM 424 CA VAL A 34 -1.257 2.844 4.616 1.00 0.00 C ATOM 425 C VAL A 34 -2.022 1.529 4.572 1.00 0.00 C ATOM 426 O VAL A 34 -2.717 1.181 5.523 1.00 0.00 O ATOM 427 CB VAL A 34 0.070 2.674 5.351 1.00 0.00 C ATOM 428 CG1 VAL A 34 1.157 2.281 4.355 1.00 0.00 C ATOM 429 CG2 VAL A 34 0.449 3.989 6.026 1.00 0.00 C ATOM 0 H VAL A 34 -2.048 3.785 6.303 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.052 3.157 3.592 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.030 1.894 6.106 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.105 2.160 4.880 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.886 1.342 3.873 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.258 3.061 3.600 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.397 3.869 6.551 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.549 4.770 5.272 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.327 4.270 6.738 1.00 0.00 H new ATOM 439 N GLY A 35 -1.892 0.796 3.463 1.00 0.00 N ATOM 440 CA GLY A 35 -2.572 -0.474 3.306 1.00 0.00 C ATOM 441 C GLY A 35 -2.034 -1.214 2.089 1.00 0.00 C ATOM 442 O GLY A 35 -1.368 -0.621 1.244 1.00 0.00 O ATOM 0 H GLY A 35 -1.319 1.069 2.664 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.433 -1.082 4.200 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.644 -0.309 3.196 1.00 0.00 H new ATOM 446 N GLN A 36 -2.326 -2.514 2.003 1.00 0.00 N ATOM 447 CA GLN A 36 -1.870 -3.327 0.893 1.00 0.00 C ATOM 448 C GLN A 36 -3.038 -3.641 -0.031 1.00 0.00 C ATOM 449 O GLN A 36 -3.945 -4.383 0.342 1.00 0.00 O ATOM 450 CB GLN A 36 -1.243 -4.611 1.429 1.00 0.00 C ATOM 451 CG GLN A 36 -1.366 -5.713 0.381 1.00 0.00 C ATOM 452 CD GLN A 36 -0.856 -7.039 0.927 1.00 0.00 C ATOM 453 OE1 GLN A 36 -1.509 -7.663 1.761 1.00 0.00 O ATOM 454 NE2 GLN A 36 0.316 -7.469 0.454 1.00 0.00 N ATOM 0 H GLN A 36 -2.878 -3.020 2.695 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.118 -2.782 0.322 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.194 -4.442 1.673 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.740 -4.914 2.351 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.407 -5.817 0.077 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.799 -5.439 -0.509 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.821 -6.915 -0.238 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.707 -8.351 0.785 1.00 0.00 H new ATOM 463 N CYS A 37 -3.015 -3.075 -1.239 1.00 0.00 N ATOM 464 CA CYS A 37 -4.068 -3.297 -2.209 1.00 0.00 C ATOM 465 C CYS A 37 -3.533 -4.122 -3.371 1.00 0.00 C ATOM 466 O CYS A 37 -2.345 -4.062 -3.682 1.00 0.00 O ATOM 467 CB CYS A 37 -4.599 -1.953 -2.700 1.00 0.00 C ATOM 468 SG CYS A 37 -5.268 -0.903 -1.386 1.00 0.00 S ATOM 0 H CYS A 37 -2.270 -2.457 -1.562 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.886 -3.848 -1.744 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.794 -1.418 -3.204 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.378 -2.130 -3.442 1.00 0.00 H new ATOM 0 HG CYS A 37 -6.325 -1.464 -0.879 1.00 0.00 H new ATOM 473 N ALA A 38 -4.413 -4.894 -4.013 1.00 0.00 N ATOM 474 CA ALA A 38 -4.025 -5.727 -5.133 1.00 0.00 C ATOM 475 C ALA A 38 -4.971 -5.491 -6.302 1.00 0.00 C ATOM 476 O ALA A 38 -6.186 -5.602 -6.152 1.00 0.00 O ATOM 477 CB ALA A 38 -4.044 -7.192 -4.708 1.00 0.00 C ATOM 0 H ALA A 38 -5.401 -4.953 -3.768 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.015 -5.469 -5.451 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.752 -7.819 -5.550 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.345 -7.341 -3.885 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.049 -7.464 -4.384 1.00 0.00 H new ATOM 483 N TRP A 39 -4.412 -5.165 -7.470 1.00 0.00 N ATOM 484 CA TRP A 39 -5.211 -4.918 -8.653 1.00 0.00 C ATOM 485 C TRP A 39 -5.920 -6.197 -9.076 1.00 0.00 C ATOM 486 O TRP A 39 -5.273 -7.194 -9.389 1.00 0.00 O ATOM 487 CB TRP A 39 -4.313 -4.402 -9.774 1.00 0.00 C ATOM 488 CG TRP A 39 -4.728 -4.808 -11.151 1.00 0.00 C ATOM 489 CD1 TRP A 39 -5.997 -5.056 -11.543 1.00 0.00 C ATOM 490 CD2 TRP A 39 -3.898 -5.021 -12.333 1.00 0.00 C ATOM 491 NE1 TRP A 39 -6.009 -5.405 -12.877 1.00 0.00 N ATOM 492 CE2 TRP A 39 -4.738 -5.400 -13.415 1.00 0.00 C ATOM 493 CE3 TRP A 39 -2.520 -4.933 -12.602 1.00 0.00 C ATOM 494 CZ2 TRP A 39 -4.242 -5.676 -14.692 1.00 0.00 C ATOM 495 CZ3 TRP A 39 -2.011 -5.208 -13.880 1.00 0.00 C ATOM 496 CH2 TRP A 39 -2.867 -5.579 -14.924 1.00 0.00 C ATOM 0 H TRP A 39 -3.407 -5.068 -7.613 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.967 -4.164 -8.433 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -4.285 -3.313 -9.725 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -3.297 -4.755 -9.598 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -6.869 -4.991 -10.909 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -6.852 -5.638 -13.401 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -1.842 -4.649 -11.811 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -4.912 -5.961 -15.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -0.949 -5.133 -14.060 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -2.466 -5.789 -15.905 1.00 0.00 H new ATOM 507 N VAL A 40 -7.255 -6.166 -9.085 1.00 0.00 N ATOM 508 CA VAL A 40 -8.044 -7.319 -9.468 1.00 0.00 C ATOM 509 C VAL A 40 -8.534 -7.155 -10.900 1.00 0.00 C ATOM 510 O VAL A 40 -8.501 -8.102 -11.682 1.00 0.00 O ATOM 511 CB VAL A 40 -9.220 -7.471 -8.508 1.00 0.00 C ATOM 512 CG1 VAL A 40 -8.717 -7.992 -7.165 1.00 0.00 C ATOM 513 CG2 VAL A 40 -9.892 -6.116 -8.309 1.00 0.00 C ATOM 0 H VAL A 40 -7.806 -5.347 -8.829 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.431 -8.219 -9.415 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.940 -8.176 -8.924 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.557 -8.101 -6.479 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -8.237 -8.960 -7.307 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.997 -7.288 -6.748 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.732 -6.224 -7.623 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.173 -5.411 -7.893 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -10.252 -5.744 -9.268 1.00 0.00 H new ATOM 523 N ASP A 41 -8.989 -5.947 -11.242 1.00 0.00 N ATOM 524 CA ASP A 41 -9.482 -5.666 -12.576 1.00 0.00 C ATOM 525 C ASP A 41 -9.007 -4.291 -13.021 1.00 0.00 C ATOM 526 O ASP A 41 -8.545 -3.497 -12.204 1.00 0.00 O ATOM 527 CB ASP A 41 -11.007 -5.739 -12.578 1.00 0.00 C ATOM 528 CG ASP A 41 -11.494 -6.880 -13.461 1.00 0.00 C ATOM 529 OD1 ASP A 41 -10.622 -7.564 -14.038 1.00 0.00 O ATOM 530 OD2 ASP A 41 -12.731 -7.046 -13.541 1.00 0.00 O ATOM 0 H ASP A 41 -9.023 -5.151 -10.605 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.095 -6.406 -13.276 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.370 -5.881 -11.560 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.420 -4.796 -12.935 1.00 0.00 H new ATOM 535 N THR A 42 -9.121 -4.008 -14.321 1.00 0.00 N ATOM 536 CA THR A 42 -8.703 -2.731 -14.862 1.00 0.00 C ATOM 537 C THR A 42 -9.328 -1.598 -14.060 1.00 0.00 C ATOM 538 O THR A 42 -10.542 -1.410 -14.088 1.00 0.00 O ATOM 539 CB THR A 42 -9.112 -2.643 -16.330 1.00 0.00 C ATOM 540 OG1 THR A 42 -9.102 -1.294 -16.740 1.00 0.00 O ATOM 541 CG2 THR A 42 -10.516 -3.217 -16.502 1.00 0.00 C ATOM 0 H THR A 42 -9.501 -4.654 -15.013 1.00 0.00 H new ATOM 0 HA THR A 42 -7.619 -2.642 -14.793 1.00 0.00 H new ATOM 0 HB THR A 42 -8.410 -3.213 -16.938 1.00 0.00 H new ATOM 0 HG1 THR A 42 -9.363 -1.237 -17.683 1.00 0.00 H new ATOM 0 HG21 THR A 42 -10.809 -3.154 -17.550 1.00 0.00 H new ATOM 0 HG22 THR A 42 -10.524 -4.260 -16.185 1.00 0.00 H new ATOM 0 HG23 THR A 42 -11.219 -2.647 -15.894 1.00 0.00 H new ATOM 549 N GLY A 43 -8.494 -0.843 -13.342 1.00 0.00 N ATOM 550 CA GLY A 43 -8.971 0.265 -12.538 1.00 0.00 C ATOM 551 C GLY A 43 -9.729 -0.253 -11.324 1.00 0.00 C ATOM 552 O GLY A 43 -10.343 0.523 -10.595 1.00 0.00 O ATOM 0 H GLY A 43 -7.485 -0.986 -13.306 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.130 0.878 -12.216 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.621 0.904 -13.136 1.00 0.00 H new ATOM 556 N VAL A 44 -9.684 -1.570 -11.108 1.00 0.00 N ATOM 557 CA VAL A 44 -10.364 -2.184 -9.986 1.00 0.00 C ATOM 558 C VAL A 44 -9.365 -2.964 -9.143 1.00 0.00 C ATOM 559 O VAL A 44 -8.931 -4.045 -9.533 1.00 0.00 O ATOM 560 CB VAL A 44 -11.468 -3.102 -10.503 1.00 0.00 C ATOM 561 CG1 VAL A 44 -12.074 -3.877 -9.336 1.00 0.00 C ATOM 562 CG2 VAL A 44 -12.553 -2.265 -11.175 1.00 0.00 C ATOM 0 H VAL A 44 -9.179 -2.226 -11.703 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.814 -1.413 -9.361 1.00 0.00 H new ATOM 0 HB VAL A 44 -11.049 -3.802 -11.226 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -12.863 -4.533 -9.705 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.300 -4.475 -8.855 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -12.493 -3.177 -8.613 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -13.342 -2.920 -11.544 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -12.972 -1.565 -10.453 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -12.121 -1.711 -12.009 1.00 0.00 H new ATOM 572 N LEU A 45 -9.002 -2.411 -7.983 1.00 0.00 N ATOM 573 CA LEU A 45 -8.058 -3.056 -7.091 1.00 0.00 C ATOM 574 C LEU A 45 -8.694 -3.257 -5.723 1.00 0.00 C ATOM 575 O LEU A 45 -9.369 -2.365 -5.213 1.00 0.00 O ATOM 576 CB LEU A 45 -6.798 -2.201 -6.981 1.00 0.00 C ATOM 577 CG LEU A 45 -6.938 -1.239 -5.805 1.00 0.00 C ATOM 578 CD1 LEU A 45 -5.553 -0.799 -5.340 1.00 0.00 C ATOM 579 CD2 LEU A 45 -7.741 -0.016 -6.241 1.00 0.00 C ATOM 0 H LEU A 45 -9.354 -1.515 -7.646 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.785 -4.033 -7.489 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.924 -2.838 -6.842 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.642 -1.643 -7.904 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.454 -1.739 -4.986 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.653 -0.112 -4.500 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.979 -1.672 -5.029 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.036 -0.299 -6.159 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.841 0.672 -5.401 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.225 0.485 -7.060 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.731 -0.330 -6.573 1.00 0.00 H new ATOM 591 N ALA A 46 -8.477 -4.433 -5.129 1.00 0.00 N ATOM 592 CA ALA A 46 -9.030 -4.745 -3.827 1.00 0.00 C ATOM 593 C ALA A 46 -8.061 -4.307 -2.738 1.00 0.00 C ATOM 594 O ALA A 46 -6.865 -4.169 -2.987 1.00 0.00 O ATOM 595 CB ALA A 46 -9.303 -6.243 -3.737 1.00 0.00 C ATOM 0 H ALA A 46 -7.919 -5.182 -5.539 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.969 -4.209 -3.688 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.719 -6.479 -2.758 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.014 -6.531 -4.512 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.372 -6.792 -3.877 1.00 0.00 H new ATOM 601 N CYS A 47 -8.580 -4.087 -1.527 1.00 0.00 N ATOM 602 CA CYS A 47 -7.761 -3.666 -0.408 1.00 0.00 C ATOM 603 C CYS A 47 -7.875 -4.679 0.722 1.00 0.00 C ATOM 604 O CYS A 47 -8.894 -5.352 0.855 1.00 0.00 O ATOM 605 CB CYS A 47 -8.210 -2.283 0.057 1.00 0.00 C ATOM 606 SG CYS A 47 -7.641 -0.930 -1.002 1.00 0.00 S ATOM 0 H CYS A 47 -9.569 -4.197 -1.305 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.717 -3.610 -0.715 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.299 -2.262 0.102 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.845 -2.116 1.070 1.00 0.00 H new ATOM 0 HG CYS A 47 -6.430 -0.596 -0.666 1.00 0.00 H new ATOM 611 N ASN A 48 -6.823 -4.787 1.537 1.00 0.00 N ATOM 612 CA ASN A 48 -6.812 -5.716 2.649 1.00 0.00 C ATOM 613 C ASN A 48 -6.761 -4.951 3.964 1.00 0.00 C ATOM 614 O ASN A 48 -5.719 -4.411 4.331 1.00 0.00 O ATOM 615 CB ASN A 48 -5.611 -6.648 2.519 1.00 0.00 C ATOM 616 CG ASN A 48 -5.384 -7.425 3.808 1.00 0.00 C ATOM 617 OD1 ASN A 48 -6.314 -7.622 4.588 1.00 0.00 O ATOM 618 ND2 ASN A 48 -4.145 -7.869 4.030 1.00 0.00 N ATOM 0 H ASN A 48 -5.970 -4.237 1.440 1.00 0.00 H new ATOM 0 HA ASN A 48 -7.724 -6.313 2.636 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.772 -7.343 1.695 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.720 -6.068 2.278 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.937 -8.397 4.877 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.406 -7.680 3.352 1.00 0.00 H new ATOM 625 N PRO A 49 -7.890 -4.907 4.674 1.00 0.00 N ATOM 626 CA PRO A 49 -8.028 -4.229 5.946 1.00 0.00 C ATOM 627 C PRO A 49 -7.297 -5.015 7.025 1.00 0.00 C ATOM 628 O PRO A 49 -7.274 -4.608 8.184 1.00 0.00 O ATOM 629 CB PRO A 49 -9.532 -4.201 6.213 1.00 0.00 C ATOM 630 CG PRO A 49 -10.024 -5.465 5.510 1.00 0.00 C ATOM 631 CD PRO A 49 -9.132 -5.530 4.273 1.00 0.00 C ATOM 0 HA PRO A 49 -7.603 -3.225 5.941 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -9.754 -4.219 7.280 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -9.999 -3.304 5.806 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.910 -6.348 6.138 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -11.079 -5.396 5.245 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -8.972 -6.560 3.955 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.584 -5.004 3.432 1.00 0.00 H new ATOM 639 N ALA A 50 -6.701 -6.146 6.641 1.00 0.00 N ATOM 640 CA ALA A 50 -5.976 -6.984 7.575 1.00 0.00 C ATOM 641 C ALA A 50 -4.517 -6.554 7.628 1.00 0.00 C ATOM 642 O ALA A 50 -3.773 -6.984 8.507 1.00 0.00 O ATOM 643 CB ALA A 50 -6.095 -8.444 7.147 1.00 0.00 C ATOM 0 H ALA A 50 -6.711 -6.497 5.683 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.402 -6.877 8.572 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.550 -9.075 7.849 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.145 -8.736 7.137 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.675 -8.566 6.149 1.00 0.00 H new ATOM 649 N ASP A 51 -4.109 -5.704 6.684 1.00 0.00 N ATOM 650 CA ASP A 51 -2.743 -5.223 6.627 1.00 0.00 C ATOM 651 C ASP A 51 -2.736 -3.712 6.440 1.00 0.00 C ATOM 652 O ASP A 51 -1.784 -3.157 5.898 1.00 0.00 O ATOM 653 CB ASP A 51 -2.009 -5.913 5.481 1.00 0.00 C ATOM 654 CG ASP A 51 -1.647 -7.344 5.851 1.00 0.00 C ATOM 655 OD1 ASP A 51 -2.029 -7.756 6.968 1.00 0.00 O ATOM 656 OD2 ASP A 51 -0.996 -8.001 5.010 1.00 0.00 O ATOM 0 H ASP A 51 -4.714 -5.338 5.949 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.232 -5.456 7.561 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.636 -5.911 4.589 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.104 -5.357 5.236 1.00 0.00 H new ATOM 661 N PHE A 52 -3.803 -3.048 6.891 1.00 0.00 N ATOM 662 CA PHE A 52 -3.912 -1.608 6.770 1.00 0.00 C ATOM 663 C PHE A 52 -3.473 -0.946 8.069 1.00 0.00 C ATOM 664 O PHE A 52 -4.049 -1.202 9.124 1.00 0.00 O ATOM 665 CB PHE A 52 -5.352 -1.234 6.432 1.00 0.00 C ATOM 666 CG PHE A 52 -6.114 -0.654 7.599 1.00 0.00 C ATOM 667 CD1 PHE A 52 -5.693 0.546 8.183 1.00 0.00 C ATOM 668 CD2 PHE A 52 -7.245 -1.314 8.094 1.00 0.00 C ATOM 669 CE1 PHE A 52 -6.401 1.085 9.264 1.00 0.00 C ATOM 670 CE2 PHE A 52 -7.953 -0.775 9.175 1.00 0.00 C ATOM 671 CZ PHE A 52 -7.531 0.425 9.760 1.00 0.00 C ATOM 0 H PHE A 52 -4.601 -3.494 7.343 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.262 -1.256 5.969 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.349 -0.512 5.615 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.874 -2.120 6.072 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.822 1.056 7.800 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.571 -2.239 7.642 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.075 2.010 9.715 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -8.825 -1.285 9.558 1.00 0.00 H new ATOM 0 HZ PHE A 52 -8.077 0.841 10.594 1.00 0.00 H new ATOM 681 N SER A 53 -2.450 -0.092 7.990 1.00 0.00 N ATOM 682 CA SER A 53 -1.942 0.601 9.156 1.00 0.00 C ATOM 683 C SER A 53 -2.212 2.094 9.028 1.00 0.00 C ATOM 684 O SER A 53 -2.868 2.530 8.086 1.00 0.00 O ATOM 685 CB SER A 53 -0.447 0.332 9.296 1.00 0.00 C ATOM 686 OG SER A 53 0.026 0.918 10.489 1.00 0.00 O ATOM 0 H SER A 53 -1.961 0.131 7.123 1.00 0.00 H new ATOM 0 HA SER A 53 -2.448 0.236 10.049 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.259 -0.742 9.306 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.089 0.741 8.440 1.00 0.00 H new ATOM 0 HG SER A 53 0.986 0.744 10.581 1.00 0.00 H new ATOM 692 N SER A 54 -1.701 2.878 9.981 1.00 0.00 N ATOM 693 CA SER A 54 -1.887 4.315 9.968 1.00 0.00 C ATOM 694 C SER A 54 -0.657 5.000 10.546 1.00 0.00 C ATOM 695 O SER A 54 0.098 4.392 11.302 1.00 0.00 O ATOM 696 CB SER A 54 -3.134 4.672 10.772 1.00 0.00 C ATOM 697 OG SER A 54 -2.797 4.780 12.137 1.00 0.00 O ATOM 0 H SER A 54 -1.155 2.532 10.770 1.00 0.00 H new ATOM 0 HA SER A 54 -2.021 4.660 8.943 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.554 5.612 10.414 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.900 3.908 10.635 1.00 0.00 H new ATOM 0 HG SER A 54 -3.597 5.011 12.654 1.00 0.00 H new ATOM 703 N VAL A 55 -0.458 6.271 10.189 1.00 0.00 N ATOM 704 CA VAL A 55 0.676 7.033 10.673 1.00 0.00 C ATOM 705 C VAL A 55 0.470 8.510 10.373 1.00 0.00 C ATOM 706 O VAL A 55 -0.283 8.862 9.468 1.00 0.00 O ATOM 707 CB VAL A 55 1.952 6.519 10.013 1.00 0.00 C ATOM 708 CG1 VAL A 55 1.791 6.558 8.496 1.00 0.00 C ATOM 709 CG2 VAL A 55 3.127 7.402 10.423 1.00 0.00 C ATOM 0 H VAL A 55 -1.075 6.788 9.563 1.00 0.00 H new ATOM 0 HA VAL A 55 0.767 6.912 11.752 1.00 0.00 H new ATOM 0 HB VAL A 55 2.139 5.494 10.332 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.702 6.191 8.024 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.951 5.928 8.203 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.604 7.583 8.176 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.039 7.036 9.952 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.940 8.427 10.104 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.242 7.375 11.507 1.00 0.00 H new ATOM 719 N THR A 56 1.142 9.377 11.134 1.00 0.00 N ATOM 720 CA THR A 56 1.027 10.808 10.941 1.00 0.00 C ATOM 721 C THR A 56 2.411 11.425 10.798 1.00 0.00 C ATOM 722 O THR A 56 3.279 11.213 11.642 1.00 0.00 O ATOM 723 CB THR A 56 0.282 11.421 12.124 1.00 0.00 C ATOM 724 OG1 THR A 56 -0.986 10.818 12.244 1.00 0.00 O ATOM 725 CG2 THR A 56 0.113 12.921 11.896 1.00 0.00 C ATOM 0 H THR A 56 1.771 9.103 11.889 1.00 0.00 H new ATOM 0 HA THR A 56 0.466 11.011 10.029 1.00 0.00 H new ATOM 0 HB THR A 56 0.851 11.254 13.038 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.464 11.210 13.004 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.419 13.360 12.740 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.094 13.388 11.803 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.457 13.088 10.982 1.00 0.00 H new ATOM 733 N ALA A 57 2.615 12.190 9.723 1.00 0.00 N ATOM 734 CA ALA A 57 3.890 12.833 9.473 1.00 0.00 C ATOM 735 C ALA A 57 4.229 13.770 10.623 1.00 0.00 C ATOM 736 O ALA A 57 3.339 14.372 11.219 1.00 0.00 O ATOM 737 CB ALA A 57 3.823 13.597 8.154 1.00 0.00 C ATOM 0 H ALA A 57 1.905 12.375 9.014 1.00 0.00 H new ATOM 0 HA ALA A 57 4.674 12.080 9.402 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.781 14.081 7.965 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.600 12.904 7.343 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.040 14.353 8.211 1.00 0.00 H new ATOM 743 N ASP A 58 5.522 13.892 10.935 1.00 0.00 N ATOM 744 CA ASP A 58 5.970 14.753 12.011 1.00 0.00 C ATOM 745 C ASP A 58 6.186 16.165 11.485 1.00 0.00 C ATOM 746 O ASP A 58 5.843 16.463 10.343 1.00 0.00 O ATOM 747 CB ASP A 58 7.260 14.193 12.604 1.00 0.00 C ATOM 748 CG ASP A 58 8.364 14.146 11.558 1.00 0.00 C ATOM 749 OD1 ASP A 58 8.112 14.653 10.443 1.00 0.00 O ATOM 750 OD2 ASP A 58 9.440 13.604 11.892 1.00 0.00 O ATOM 0 H ASP A 58 6.273 13.400 10.450 1.00 0.00 H new ATOM 0 HA ASP A 58 5.212 14.790 12.793 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.576 14.811 13.445 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.081 13.191 12.994 1.00 0.00 H new ATOM 755 N ALA A 59 6.757 17.035 12.321 1.00 0.00 N ATOM 756 CA ALA A 59 7.014 18.408 11.938 1.00 0.00 C ATOM 757 C ALA A 59 7.965 18.442 10.751 1.00 0.00 C ATOM 758 O ALA A 59 7.928 19.374 9.949 1.00 0.00 O ATOM 759 CB ALA A 59 7.603 19.165 13.125 1.00 0.00 C ATOM 0 H ALA A 59 7.048 16.803 13.271 1.00 0.00 H new ATOM 0 HA ALA A 59 6.081 18.889 11.645 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.797 20.198 12.838 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.897 19.146 13.955 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.536 18.692 13.431 1.00 0.00 H new ATOM 765 N ASN A 60 8.820 17.423 10.638 1.00 0.00 N ATOM 766 CA ASN A 60 9.775 17.344 9.551 1.00 0.00 C ATOM 767 C ASN A 60 9.070 16.909 8.273 1.00 0.00 C ATOM 768 O ASN A 60 9.648 16.973 7.190 1.00 0.00 O ATOM 769 CB ASN A 60 10.882 16.360 9.919 1.00 0.00 C ATOM 770 CG ASN A 60 12.165 17.096 10.279 1.00 0.00 C ATOM 771 OD1 ASN A 60 12.138 18.052 11.051 1.00 0.00 O ATOM 772 ND2 ASN A 60 13.290 16.647 9.718 1.00 0.00 N ATOM 0 H ASN A 60 8.864 16.642 11.293 1.00 0.00 H new ATOM 0 HA ASN A 60 10.219 18.325 9.381 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.563 15.745 10.760 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.067 15.685 9.083 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.179 17.102 9.924 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.260 15.849 9.083 1.00 0.00 H new ATOM 779 N GLY A 61 7.817 16.467 8.401 1.00 0.00 N ATOM 780 CA GLY A 61 7.045 16.027 7.256 1.00 0.00 C ATOM 781 C GLY A 61 7.383 14.582 6.917 1.00 0.00 C ATOM 782 O GLY A 61 6.850 14.025 5.959 1.00 0.00 O ATOM 0 H GLY A 61 7.322 16.407 9.291 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.980 16.118 7.470 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.254 16.668 6.399 1.00 0.00 H new ATOM 786 N SER A 62 8.272 13.974 7.705 1.00 0.00 N ATOM 787 CA SER A 62 8.675 12.600 7.485 1.00 0.00 C ATOM 788 C SER A 62 7.825 11.669 8.338 1.00 0.00 C ATOM 789 O SER A 62 7.575 11.951 9.509 1.00 0.00 O ATOM 790 CB SER A 62 10.155 12.444 7.824 1.00 0.00 C ATOM 791 OG SER A 62 10.349 12.682 9.201 1.00 0.00 O ATOM 0 H SER A 62 8.724 14.421 8.503 1.00 0.00 H new ATOM 0 HA SER A 62 8.526 12.337 6.438 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.495 11.441 7.566 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.750 13.143 7.236 1.00 0.00 H new ATOM 0 HG SER A 62 11.299 12.581 9.420 1.00 0.00 H new ATOM 797 N ALA A 63 7.380 10.557 7.749 1.00 0.00 N ATOM 798 CA ALA A 63 6.562 9.592 8.456 1.00 0.00 C ATOM 799 C ALA A 63 7.245 8.232 8.447 1.00 0.00 C ATOM 800 O ALA A 63 8.159 8.000 7.659 1.00 0.00 O ATOM 801 CB ALA A 63 5.188 9.512 7.796 1.00 0.00 C ATOM 0 H ALA A 63 7.578 10.309 6.780 1.00 0.00 H new ATOM 0 HA ALA A 63 6.435 9.905 9.492 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.571 8.787 8.326 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.709 10.491 7.832 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.301 9.202 6.757 1.00 0.00 H new ATOM 807 N SER A 64 6.799 7.332 9.327 1.00 0.00 N ATOM 808 CA SER A 64 7.368 6.003 9.414 1.00 0.00 C ATOM 809 C SER A 64 6.306 5.015 9.877 1.00 0.00 C ATOM 810 O SER A 64 5.623 5.256 10.870 1.00 0.00 O ATOM 811 CB SER A 64 8.550 6.019 10.379 1.00 0.00 C ATOM 812 OG SER A 64 8.141 5.513 11.630 1.00 0.00 O ATOM 0 H SER A 64 6.042 7.509 9.988 1.00 0.00 H new ATOM 0 HA SER A 64 7.722 5.690 8.432 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.367 5.417 9.981 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.928 7.035 10.491 1.00 0.00 H new ATOM 0 HG SER A 64 7.183 5.681 11.754 1.00 0.00 H new ATOM 818 N THR A 65 6.169 3.901 9.155 1.00 0.00 N ATOM 819 CA THR A 65 5.194 2.886 9.499 1.00 0.00 C ATOM 820 C THR A 65 5.621 1.541 8.930 1.00 0.00 C ATOM 821 O THR A 65 6.609 1.457 8.203 1.00 0.00 O ATOM 822 CB THR A 65 3.826 3.293 8.958 1.00 0.00 C ATOM 823 OG1 THR A 65 2.907 3.385 10.023 1.00 0.00 O ATOM 824 CG2 THR A 65 3.343 2.245 7.958 1.00 0.00 C ATOM 0 H THR A 65 6.726 3.686 8.328 1.00 0.00 H new ATOM 0 HA THR A 65 5.130 2.793 10.583 1.00 0.00 H new ATOM 0 HB THR A 65 3.904 4.260 8.462 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.001 3.490 9.665 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.366 2.535 7.571 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.053 2.174 7.134 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.265 1.278 8.454 1.00 0.00 H new ATOM 832 N SER A 66 4.873 0.487 9.262 1.00 0.00 N ATOM 833 CA SER A 66 5.176 -0.847 8.783 1.00 0.00 C ATOM 834 C SER A 66 3.961 -1.430 8.076 1.00 0.00 C ATOM 835 O SER A 66 2.870 -1.465 8.640 1.00 0.00 O ATOM 836 CB SER A 66 5.593 -1.726 9.958 1.00 0.00 C ATOM 837 OG SER A 66 5.709 -0.935 11.119 1.00 0.00 O ATOM 0 H SER A 66 4.051 0.541 9.864 1.00 0.00 H new ATOM 0 HA SER A 66 5.999 -0.803 8.070 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.857 -2.515 10.115 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.543 -2.214 9.741 1.00 0.00 H new ATOM 0 HG SER A 66 5.975 -1.500 11.874 1.00 0.00 H new ATOM 843 N LEU A 67 4.153 -1.891 6.838 1.00 0.00 N ATOM 844 CA LEU A 67 3.076 -2.472 6.061 1.00 0.00 C ATOM 845 C LEU A 67 3.312 -3.965 5.886 1.00 0.00 C ATOM 846 O LEU A 67 4.319 -4.373 5.312 1.00 0.00 O ATOM 847 CB LEU A 67 2.993 -1.775 4.706 1.00 0.00 C ATOM 848 CG LEU A 67 1.558 -1.837 4.190 1.00 0.00 C ATOM 849 CD1 LEU A 67 1.106 -3.293 4.117 1.00 0.00 C ATOM 850 CD2 LEU A 67 0.643 -1.066 5.136 1.00 0.00 C ATOM 0 H LEU A 67 5.052 -1.869 6.357 1.00 0.00 H new ATOM 0 HA LEU A 67 2.130 -2.333 6.585 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.313 -0.737 4.799 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.667 -2.254 3.996 1.00 0.00 H new ATOM 0 HG LEU A 67 1.510 -1.392 3.196 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.081 -3.338 3.749 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.759 -3.843 3.440 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.154 -3.739 5.110 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.382 -1.110 4.767 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.691 -1.510 6.130 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.966 -0.026 5.187 1.00 0.00 H new ATOM 862 N THR A 68 2.379 -4.781 6.381 1.00 0.00 N ATOM 863 CA THR A 68 2.493 -6.222 6.274 1.00 0.00 C ATOM 864 C THR A 68 2.048 -6.676 4.891 1.00 0.00 C ATOM 865 O THR A 68 1.047 -6.192 4.368 1.00 0.00 O ATOM 866 CB THR A 68 1.644 -6.880 7.358 1.00 0.00 C ATOM 867 OG1 THR A 68 1.268 -8.173 6.939 1.00 0.00 O ATOM 868 CG2 THR A 68 0.394 -6.041 7.606 1.00 0.00 C ATOM 0 H THR A 68 1.537 -4.460 6.859 1.00 0.00 H new ATOM 0 HA THR A 68 3.533 -6.519 6.414 1.00 0.00 H new ATOM 0 HB THR A 68 2.222 -6.950 8.280 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.742 -8.842 7.476 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.212 -6.511 8.380 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.685 -5.042 7.930 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.185 -5.970 6.685 1.00 0.00 H new ATOM 876 N VAL A 69 2.796 -7.610 4.300 1.00 0.00 N ATOM 877 CA VAL A 69 2.477 -8.125 2.983 1.00 0.00 C ATOM 878 C VAL A 69 1.943 -9.545 3.102 1.00 0.00 C ATOM 879 O VAL A 69 2.569 -10.395 3.731 1.00 0.00 O ATOM 880 CB VAL A 69 3.726 -8.088 2.107 1.00 0.00 C ATOM 881 CG1 VAL A 69 4.953 -7.840 2.980 1.00 0.00 C ATOM 882 CG2 VAL A 69 3.878 -9.422 1.382 1.00 0.00 C ATOM 0 H VAL A 69 3.629 -8.021 4.721 1.00 0.00 H new ATOM 0 HA VAL A 69 1.708 -7.506 2.521 1.00 0.00 H new ATOM 0 HB VAL A 69 3.633 -7.285 1.375 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.845 -7.814 2.354 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.844 -6.887 3.498 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.047 -8.642 3.712 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.770 -9.396 0.756 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.971 -10.225 2.113 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.002 -9.599 0.758 1.00 0.00 H new ATOM 892 N ARG A 70 0.782 -9.800 2.494 1.00 0.00 N ATOM 893 CA ARG A 70 0.170 -11.113 2.535 1.00 0.00 C ATOM 894 C ARG A 70 0.076 -11.682 1.126 1.00 0.00 C ATOM 895 O ARG A 70 -0.202 -10.952 0.178 1.00 0.00 O ATOM 896 CB ARG A 70 -1.214 -11.009 3.170 1.00 0.00 C ATOM 897 CG ARG A 70 -1.118 -11.338 4.657 1.00 0.00 C ATOM 898 CD ARG A 70 0.189 -10.785 5.217 1.00 0.00 C ATOM 899 NE ARG A 70 0.093 -10.574 6.662 1.00 0.00 N ATOM 900 CZ ARG A 70 0.327 -11.546 7.554 1.00 0.00 C ATOM 901 NH1 ARG A 70 0.666 -12.773 7.136 1.00 0.00 N ATOM 902 NH2 ARG A 70 0.222 -11.291 8.866 1.00 0.00 N ATOM 0 H ARG A 70 0.252 -9.106 1.968 1.00 0.00 H new ATOM 0 HA ARG A 70 0.781 -11.785 3.137 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.613 -10.004 3.034 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -1.904 -11.695 2.679 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -1.966 -10.908 5.191 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -1.162 -12.417 4.805 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.003 -11.477 5.000 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.431 -9.844 4.724 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.163 -9.648 7.005 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.746 -12.968 6.138 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.844 -13.512 7.816 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.036 -10.357 9.185 1.00 0.00 H new ATOM 0 HH22 ARG A 70 0.400 -12.031 9.545 1.00 0.00 H new ATOM 916 N ARG A 71 0.307 -12.990 0.992 1.00 0.00 N ATOM 917 CA ARG A 71 0.248 -13.648 -0.297 1.00 0.00 C ATOM 918 C ARG A 71 -1.129 -13.452 -0.914 1.00 0.00 C ATOM 919 O ARG A 71 -1.244 -13.178 -2.107 1.00 0.00 O ATOM 920 CB ARG A 71 0.555 -15.133 -0.123 1.00 0.00 C ATOM 921 CG ARG A 71 1.843 -15.477 -0.865 1.00 0.00 C ATOM 922 CD ARG A 71 2.173 -16.952 -0.656 1.00 0.00 C ATOM 923 NE ARG A 71 2.544 -17.592 -1.918 1.00 0.00 N ATOM 924 CZ ARG A 71 2.751 -18.911 -2.030 1.00 0.00 C ATOM 925 NH1 ARG A 71 2.619 -19.703 -0.957 1.00 0.00 N ATOM 926 NH2 ARG A 71 3.090 -19.438 -3.214 1.00 0.00 N ATOM 0 H ARG A 71 0.537 -13.609 1.769 1.00 0.00 H new ATOM 0 HA ARG A 71 0.990 -13.212 -0.966 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.658 -15.372 0.935 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.270 -15.733 -0.507 1.00 0.00 H new ATOM 0 HG2 ARG A 71 1.730 -15.266 -1.928 1.00 0.00 H new ATOM 0 HG3 ARG A 71 2.661 -14.855 -0.502 1.00 0.00 H new ATOM 0 HD2 ARG A 71 2.991 -17.047 0.058 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.312 -17.463 -0.225 1.00 0.00 H new ATOM 0 HE ARG A 71 2.650 -17.009 -2.748 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.361 -19.302 -0.055 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.776 -20.707 -1.042 1.00 0.00 H new ATOM 0 HH21 ARG A 71 3.191 -18.835 -4.031 1.00 0.00 H new ATOM 0 HH22 ARG A 71 3.248 -20.442 -3.299 1.00 0.00 H new ATOM 940 N SER A 72 -2.176 -13.591 -0.098 1.00 0.00 N ATOM 941 CA SER A 72 -3.537 -13.427 -0.567 1.00 0.00 C ATOM 942 C SER A 72 -4.399 -12.840 0.542 1.00 0.00 C ATOM 943 O SER A 72 -4.071 -12.969 1.720 1.00 0.00 O ATOM 944 CB SER A 72 -4.085 -14.777 -1.021 1.00 0.00 C ATOM 945 OG SER A 72 -5.486 -14.694 -1.157 1.00 0.00 O ATOM 0 H SER A 72 -2.098 -13.818 0.893 1.00 0.00 H new ATOM 0 HA SER A 72 -3.553 -12.740 -1.413 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.633 -15.064 -1.970 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.824 -15.549 -0.297 1.00 0.00 H new ATOM 0 HG SER A 72 -5.712 -13.969 -1.776 1.00 0.00 H new ATOM 951 N PHE A 73 -5.505 -12.195 0.164 1.00 0.00 N ATOM 952 CA PHE A 73 -6.406 -11.595 1.127 1.00 0.00 C ATOM 953 C PHE A 73 -7.608 -10.999 0.409 1.00 0.00 C ATOM 954 O PHE A 73 -7.537 -10.701 -0.781 1.00 0.00 O ATOM 955 CB PHE A 73 -5.661 -10.524 1.919 1.00 0.00 C ATOM 956 CG PHE A 73 -4.747 -9.673 1.070 1.00 0.00 C ATOM 957 CD1 PHE A 73 -5.288 -8.736 0.181 1.00 0.00 C ATOM 958 CD2 PHE A 73 -3.359 -9.822 1.170 1.00 0.00 C ATOM 959 CE1 PHE A 73 -4.442 -7.949 -0.607 1.00 0.00 C ATOM 960 CE2 PHE A 73 -2.512 -9.035 0.381 1.00 0.00 C ATOM 961 CZ PHE A 73 -3.053 -8.098 -0.508 1.00 0.00 C ATOM 0 H PHE A 73 -5.791 -12.079 -0.808 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.765 -12.357 1.819 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.387 -9.880 2.415 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.074 -11.005 2.701 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.359 -8.621 0.104 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -2.941 -10.544 1.856 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -4.860 -7.226 -1.292 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -1.441 -9.150 0.458 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.400 -7.491 -1.117 1.00 0.00 H new ATOM 971 N GLU A 74 -8.714 -10.824 1.136 1.00 0.00 N ATOM 972 CA GLU A 74 -9.921 -10.264 0.563 1.00 0.00 C ATOM 973 C GLU A 74 -9.616 -8.917 -0.077 1.00 0.00 C ATOM 974 O GLU A 74 -9.315 -7.950 0.619 1.00 0.00 O ATOM 975 CB GLU A 74 -10.979 -10.117 1.653 1.00 0.00 C ATOM 976 CG GLU A 74 -10.362 -9.439 2.873 1.00 0.00 C ATOM 977 CD GLU A 74 -10.478 -10.326 4.104 1.00 0.00 C ATOM 978 OE1 GLU A 74 -11.607 -10.797 4.360 1.00 0.00 O ATOM 979 OE2 GLU A 74 -9.435 -10.515 4.767 1.00 0.00 O ATOM 0 H GLU A 74 -8.790 -11.065 2.124 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.303 -10.931 -0.210 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.819 -9.529 1.283 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.372 -11.096 1.928 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.313 -9.216 2.678 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.862 -8.488 3.057 1.00 0.00 H new ATOM 986 N GLY A 75 -9.695 -8.855 -1.409 1.00 0.00 N ATOM 987 CA GLY A 75 -9.427 -7.627 -2.130 1.00 0.00 C ATOM 988 C GLY A 75 -10.608 -6.675 -2.009 1.00 0.00 C ATOM 989 O GLY A 75 -11.595 -6.812 -2.729 1.00 0.00 O ATOM 0 H GLY A 75 -9.943 -9.647 -2.002 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.528 -7.154 -1.735 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.236 -7.848 -3.180 1.00 0.00 H new ATOM 993 N PHE A 76 -10.506 -5.708 -1.095 1.00 0.00 N ATOM 994 CA PHE A 76 -11.565 -4.741 -0.886 1.00 0.00 C ATOM 995 C PHE A 76 -11.427 -3.600 -1.883 1.00 0.00 C ATOM 996 O PHE A 76 -10.622 -2.692 -1.682 1.00 0.00 O ATOM 997 CB PHE A 76 -11.500 -4.220 0.547 1.00 0.00 C ATOM 998 CG PHE A 76 -12.638 -4.701 1.416 1.00 0.00 C ATOM 999 CD1 PHE A 76 -13.944 -4.262 1.166 1.00 0.00 C ATOM 1000 CD2 PHE A 76 -12.388 -5.588 2.470 1.00 0.00 C ATOM 1001 CE1 PHE A 76 -14.999 -4.710 1.970 1.00 0.00 C ATOM 1002 CE2 PHE A 76 -13.443 -6.036 3.274 1.00 0.00 C ATOM 1003 CZ PHE A 76 -14.748 -5.596 3.024 1.00 0.00 C ATOM 0 H PHE A 76 -9.695 -5.581 -0.490 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.533 -5.216 -1.042 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -10.556 -4.529 0.995 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.503 -3.130 0.529 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -14.137 -3.578 0.353 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.381 -5.927 2.663 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -16.006 -4.372 1.777 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -13.250 -6.721 4.087 1.00 0.00 H new ATOM 0 HZ PHE A 76 -15.562 -5.940 3.645 1.00 0.00 H new ATOM 1013 N LEU A 77 -12.214 -3.646 -2.960 1.00 0.00 N ATOM 1014 CA LEU A 77 -12.176 -2.618 -3.981 1.00 0.00 C ATOM 1015 C LEU A 77 -12.388 -1.252 -3.346 1.00 0.00 C ATOM 1016 O LEU A 77 -13.316 -1.067 -2.561 1.00 0.00 O ATOM 1017 CB LEU A 77 -13.250 -2.901 -5.027 1.00 0.00 C ATOM 1018 CG LEU A 77 -13.722 -1.586 -5.640 1.00 0.00 C ATOM 1019 CD1 LEU A 77 -12.563 -0.925 -6.380 1.00 0.00 C ATOM 1020 CD2 LEU A 77 -14.860 -1.860 -6.618 1.00 0.00 C ATOM 0 H LEU A 77 -12.886 -4.392 -3.140 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.202 -2.622 -4.470 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -12.853 -3.555 -5.804 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.090 -3.423 -4.569 1.00 0.00 H new ATOM 0 HG LEU A 77 -14.074 -0.923 -4.850 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.900 0.015 -6.818 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -11.750 -0.729 -5.681 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.210 -1.588 -7.170 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -15.197 -0.921 -7.056 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -14.509 -2.523 -7.408 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -15.688 -2.332 -6.089 1.00 0.00 H new ATOM 1032 N PHE A 78 -11.526 -0.292 -3.688 1.00 0.00 N ATOM 1033 CA PHE A 78 -11.625 1.050 -3.150 1.00 0.00 C ATOM 1034 C PHE A 78 -13.062 1.541 -3.249 1.00 0.00 C ATOM 1035 O PHE A 78 -13.542 2.246 -2.364 1.00 0.00 O ATOM 1036 CB PHE A 78 -10.683 1.975 -3.916 1.00 0.00 C ATOM 1037 CG PHE A 78 -11.254 2.468 -5.224 1.00 0.00 C ATOM 1038 CD1 PHE A 78 -12.214 3.487 -5.229 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -10.821 1.907 -6.432 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -12.741 3.945 -6.442 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -11.349 2.366 -7.645 1.00 0.00 C ATOM 1042 CZ PHE A 78 -12.309 3.385 -7.650 1.00 0.00 C ATOM 0 H PHE A 78 -10.752 -0.428 -4.338 1.00 0.00 H new ATOM 0 HA PHE A 78 -11.335 1.047 -2.099 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -10.439 2.833 -3.289 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -9.749 1.448 -4.112 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -12.548 3.919 -4.297 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -10.080 1.121 -6.428 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -13.482 4.731 -6.446 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -11.016 1.934 -8.577 1.00 0.00 H new ATOM 0 HZ PHE A 78 -12.716 3.739 -8.586 1.00 0.00 H new ATOM 1052 N ASP A 79 -13.750 1.166 -4.330 1.00 0.00 N ATOM 1053 CA ASP A 79 -15.126 1.570 -4.539 1.00 0.00 C ATOM 1054 C ASP A 79 -15.979 1.118 -3.363 1.00 0.00 C ATOM 1055 O ASP A 79 -17.088 1.612 -3.173 1.00 0.00 O ATOM 1056 CB ASP A 79 -15.639 0.967 -5.844 1.00 0.00 C ATOM 1057 CG ASP A 79 -16.602 1.919 -6.541 1.00 0.00 C ATOM 1058 OD1 ASP A 79 -17.537 2.383 -5.854 1.00 0.00 O ATOM 1059 OD2 ASP A 79 -16.383 2.164 -7.747 1.00 0.00 O ATOM 0 H ASP A 79 -13.367 0.581 -5.072 1.00 0.00 H new ATOM 0 HA ASP A 79 -15.185 2.656 -4.609 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -14.799 0.747 -6.502 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -16.141 0.021 -5.640 1.00 0.00 H new ATOM 1064 N GLY A 80 -15.461 0.175 -2.573 1.00 0.00 N ATOM 1065 CA GLY A 80 -16.181 -0.334 -1.423 1.00 0.00 C ATOM 1066 C GLY A 80 -16.880 -1.641 -1.774 1.00 0.00 C ATOM 1067 O GLY A 80 -17.912 -1.971 -1.195 1.00 0.00 O ATOM 0 H GLY A 80 -14.543 -0.247 -2.716 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.491 -0.494 -0.595 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.914 0.401 -1.090 1.00 0.00 H new ATOM 1071 N THR A 81 -16.314 -2.385 -2.728 1.00 0.00 N ATOM 1072 CA THR A 81 -16.886 -3.648 -3.147 1.00 0.00 C ATOM 1073 C THR A 81 -15.932 -4.786 -2.812 1.00 0.00 C ATOM 1074 O THR A 81 -14.716 -4.622 -2.882 1.00 0.00 O ATOM 1075 CB THR A 81 -17.169 -3.604 -4.646 1.00 0.00 C ATOM 1076 OG1 THR A 81 -18.489 -3.158 -4.862 1.00 0.00 O ATOM 1077 CG2 THR A 81 -17.001 -5.001 -5.237 1.00 0.00 C ATOM 0 H THR A 81 -15.459 -2.126 -3.220 1.00 0.00 H new ATOM 0 HA THR A 81 -17.823 -3.820 -2.617 1.00 0.00 H new ATOM 0 HB THR A 81 -16.471 -2.920 -5.128 1.00 0.00 H new ATOM 0 HG1 THR A 81 -18.671 -3.128 -5.825 1.00 0.00 H new ATOM 0 HG21 THR A 81 -17.203 -4.970 -6.308 1.00 0.00 H new ATOM 0 HG22 THR A 81 -15.981 -5.346 -5.070 1.00 0.00 H new ATOM 0 HG23 THR A 81 -17.699 -5.686 -4.756 1.00 0.00 H new ATOM 1085 N ARG A 82 -16.488 -5.943 -2.448 1.00 0.00 N ATOM 1086 CA ARG A 82 -15.688 -7.101 -2.104 1.00 0.00 C ATOM 1087 C ARG A 82 -15.323 -7.869 -3.366 1.00 0.00 C ATOM 1088 O ARG A 82 -16.101 -8.694 -3.840 1.00 0.00 O ATOM 1089 CB ARG A 82 -16.468 -7.989 -1.138 1.00 0.00 C ATOM 1090 CG ARG A 82 -15.494 -8.836 -0.325 1.00 0.00 C ATOM 1091 CD ARG A 82 -16.253 -9.567 0.778 1.00 0.00 C ATOM 1092 NE ARG A 82 -16.175 -11.017 0.598 1.00 0.00 N ATOM 1093 CZ ARG A 82 -16.977 -11.873 1.244 1.00 0.00 C ATOM 1094 NH1 ARG A 82 -17.901 -11.412 2.098 1.00 0.00 N ATOM 1095 NH2 ARG A 82 -16.856 -13.192 1.037 1.00 0.00 N ATOM 0 H ARG A 82 -17.495 -6.095 -2.386 1.00 0.00 H new ATOM 0 HA ARG A 82 -14.767 -6.780 -1.618 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -17.075 -7.375 -0.473 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -17.152 -8.633 -1.691 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -14.992 -9.554 -0.973 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -14.720 -8.203 0.109 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -15.840 -9.295 1.750 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -17.297 -9.253 0.776 1.00 0.00 H new ATOM 0 HE ARG A 82 -15.480 -11.392 -0.047 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -17.994 -10.409 2.256 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -18.512 -12.064 2.590 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -16.153 -13.544 0.387 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -17.467 -13.844 1.529 1.00 0.00 H new ATOM 1109 N TRP A 83 -14.134 -7.599 -3.910 1.00 0.00 N ATOM 1110 CA TRP A 83 -13.676 -8.268 -5.111 1.00 0.00 C ATOM 1111 C TRP A 83 -13.488 -9.753 -4.837 1.00 0.00 C ATOM 1112 O TRP A 83 -14.085 -10.592 -5.508 1.00 0.00 O ATOM 1113 CB TRP A 83 -12.369 -7.634 -5.578 1.00 0.00 C ATOM 1114 CG TRP A 83 -12.156 -7.650 -7.058 1.00 0.00 C ATOM 1115 CD1 TRP A 83 -12.705 -6.781 -7.935 1.00 0.00 C ATOM 1116 CD2 TRP A 83 -11.344 -8.564 -7.857 1.00 0.00 C ATOM 1117 NE1 TRP A 83 -12.292 -7.093 -9.213 1.00 0.00 N ATOM 1118 CE2 TRP A 83 -11.450 -8.186 -9.223 1.00 0.00 C ATOM 1119 CE3 TRP A 83 -10.530 -9.674 -7.568 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 -10.786 -8.870 -10.245 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 -9.860 -10.367 -8.586 1.00 0.00 C ATOM 1122 CH2 TRP A 83 -9.985 -9.969 -9.922 1.00 0.00 C ATOM 0 H TRP A 83 -13.476 -6.919 -3.530 1.00 0.00 H new ATOM 0 HA TRP A 83 -14.421 -8.157 -5.899 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -12.339 -6.601 -5.232 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -11.539 -8.154 -5.100 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -13.366 -5.967 -7.675 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -12.574 -6.579 -10.048 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -10.419 -9.998 -6.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -10.891 -8.553 -11.272 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -9.241 -11.216 -8.337 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -9.465 -10.509 -10.700 1.00 0.00 H new ATOM 1133 N GLY A 84 -12.655 -10.078 -3.845 1.00 0.00 N ATOM 1134 CA GLY A 84 -12.396 -11.459 -3.492 1.00 0.00 C ATOM 1135 C GLY A 84 -10.946 -11.630 -3.060 1.00 0.00 C ATOM 1136 O GLY A 84 -10.131 -10.727 -3.239 1.00 0.00 O ATOM 0 H GLY A 84 -12.152 -9.396 -3.277 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.062 -11.766 -2.686 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.608 -12.105 -4.344 1.00 0.00 H new ATOM 1140 N THR A 85 -10.624 -12.793 -2.489 1.00 0.00 N ATOM 1141 CA THR A 85 -9.276 -13.073 -2.037 1.00 0.00 C ATOM 1142 C THR A 85 -8.304 -12.954 -3.202 1.00 0.00 C ATOM 1143 O THR A 85 -8.243 -13.836 -4.056 1.00 0.00 O ATOM 1144 CB THR A 85 -9.224 -14.472 -1.430 1.00 0.00 C ATOM 1145 OG1 THR A 85 -10.512 -14.842 -0.992 1.00 0.00 O ATOM 1146 CG2 THR A 85 -8.263 -14.476 -0.244 1.00 0.00 C ATOM 0 H THR A 85 -11.287 -13.552 -2.332 1.00 0.00 H new ATOM 0 HA THR A 85 -8.987 -12.349 -1.275 1.00 0.00 H new ATOM 0 HB THR A 85 -8.878 -15.182 -2.181 1.00 0.00 H new ATOM 0 HG1 THR A 85 -10.480 -15.741 -0.604 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.225 -15.475 0.190 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.267 -14.189 -0.582 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.610 -13.767 0.507 1.00 0.00 H new ATOM 1154 N VAL A 86 -7.541 -11.859 -3.234 1.00 0.00 N ATOM 1155 CA VAL A 86 -6.576 -11.629 -4.291 1.00 0.00 C ATOM 1156 C VAL A 86 -5.283 -12.368 -3.977 1.00 0.00 C ATOM 1157 O VAL A 86 -4.980 -12.625 -2.814 1.00 0.00 O ATOM 1158 CB VAL A 86 -6.323 -10.131 -4.431 1.00 0.00 C ATOM 1159 CG1 VAL A 86 -7.628 -9.425 -4.787 1.00 0.00 C ATOM 1160 CG2 VAL A 86 -5.791 -9.580 -3.111 1.00 0.00 C ATOM 0 H VAL A 86 -7.580 -11.119 -2.533 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.967 -12.007 -5.235 1.00 0.00 H new ATOM 0 HB VAL A 86 -5.590 -9.959 -5.219 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -7.447 -8.355 -4.887 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -8.009 -9.818 -5.729 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -8.361 -9.597 -3.999 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -5.610 -8.510 -3.210 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -6.524 -9.753 -2.323 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -4.859 -10.084 -2.856 1.00 0.00 H new ATOM 1170 N ASP A 87 -4.521 -12.709 -5.018 1.00 0.00 N ATOM 1171 CA ASP A 87 -3.267 -13.416 -4.848 1.00 0.00 C ATOM 1172 C ASP A 87 -2.119 -12.560 -5.364 1.00 0.00 C ATOM 1173 O ASP A 87 -1.802 -12.594 -6.551 1.00 0.00 O ATOM 1174 CB ASP A 87 -3.328 -14.746 -5.595 1.00 0.00 C ATOM 1175 CG ASP A 87 -3.560 -15.900 -4.631 1.00 0.00 C ATOM 1176 OD1 ASP A 87 -4.712 -16.025 -4.161 1.00 0.00 O ATOM 1177 OD2 ASP A 87 -2.582 -16.637 -4.381 1.00 0.00 O ATOM 0 H ASP A 87 -4.759 -12.502 -5.988 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.098 -13.616 -3.790 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.130 -14.717 -6.333 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.398 -14.904 -6.141 1.00 0.00 H new ATOM 1182 N CYS A 88 -1.497 -11.790 -4.468 1.00 0.00 N ATOM 1183 CA CYS A 88 -0.390 -10.930 -4.836 1.00 0.00 C ATOM 1184 C CYS A 88 0.642 -11.727 -5.621 1.00 0.00 C ATOM 1185 O CYS A 88 1.347 -11.174 -6.462 1.00 0.00 O ATOM 1186 CB CYS A 88 0.231 -10.334 -3.576 1.00 0.00 C ATOM 1187 SG CYS A 88 -0.907 -9.310 -2.609 1.00 0.00 S ATOM 0 H CYS A 88 -1.749 -11.751 -3.480 1.00 0.00 H new ATOM 0 HA CYS A 88 -0.749 -10.117 -5.467 1.00 0.00 H new ATOM 0 HB2 CYS A 88 0.599 -11.144 -2.946 1.00 0.00 H new ATOM 0 HB3 CYS A 88 1.095 -9.732 -3.859 1.00 0.00 H new ATOM 1192 N THR A 89 0.730 -13.030 -5.344 1.00 0.00 N ATOM 1193 CA THR A 89 1.675 -13.891 -6.027 1.00 0.00 C ATOM 1194 C THR A 89 1.205 -14.150 -7.451 1.00 0.00 C ATOM 1195 O THR A 89 1.881 -14.835 -8.216 1.00 0.00 O ATOM 1196 CB THR A 89 1.816 -15.201 -5.258 1.00 0.00 C ATOM 1197 OG1 THR A 89 2.678 -16.068 -5.960 1.00 0.00 O ATOM 1198 CG2 THR A 89 0.445 -15.855 -5.111 1.00 0.00 C ATOM 0 H THR A 89 0.154 -13.505 -4.649 1.00 0.00 H new ATOM 0 HA THR A 89 2.649 -13.403 -6.071 1.00 0.00 H new ATOM 0 HB THR A 89 2.230 -14.999 -4.270 1.00 0.00 H new ATOM 0 HG1 THR A 89 2.690 -15.820 -6.908 1.00 0.00 H new ATOM 0 HG21 THR A 89 0.545 -16.791 -4.562 1.00 0.00 H new ATOM 0 HG22 THR A 89 -0.221 -15.185 -4.568 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.030 -16.057 -6.099 1.00 0.00 H new ATOM 1206 N THR A 90 0.042 -13.600 -7.807 1.00 0.00 N ATOM 1207 CA THR A 90 -0.508 -13.775 -9.136 1.00 0.00 C ATOM 1208 C THR A 90 -0.568 -12.434 -9.853 1.00 0.00 C ATOM 1209 O THR A 90 -0.508 -12.379 -11.080 1.00 0.00 O ATOM 1210 CB THR A 90 -1.898 -14.395 -9.033 1.00 0.00 C ATOM 1211 OG1 THR A 90 -1.778 -15.785 -8.828 1.00 0.00 O ATOM 1212 CG2 THR A 90 -2.669 -14.135 -10.324 1.00 0.00 C ATOM 0 H THR A 90 -0.532 -13.030 -7.186 1.00 0.00 H new ATOM 0 HA THR A 90 0.132 -14.443 -9.712 1.00 0.00 H new ATOM 0 HB THR A 90 -2.434 -13.949 -8.195 1.00 0.00 H new ATOM 0 HG1 THR A 90 -2.671 -16.184 -8.760 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.662 -14.578 -10.250 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.762 -13.061 -10.482 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.134 -14.580 -11.163 1.00 0.00 H new ATOM 1220 N ALA A 91 -0.686 -11.349 -9.084 1.00 0.00 N ATOM 1221 CA ALA A 91 -0.755 -10.016 -9.647 1.00 0.00 C ATOM 1222 C ALA A 91 0.290 -9.125 -8.990 1.00 0.00 C ATOM 1223 O ALA A 91 1.212 -9.618 -8.345 1.00 0.00 O ATOM 1224 CB ALA A 91 -2.157 -9.449 -9.440 1.00 0.00 C ATOM 0 H ALA A 91 -0.735 -11.378 -8.066 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.549 -10.057 -10.717 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.210 -8.446 -9.863 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.886 -10.091 -9.935 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.378 -9.405 -8.374 1.00 0.00 H new ATOM 1230 N ALA A 92 0.143 -7.808 -9.157 1.00 0.00 N ATOM 1231 CA ALA A 92 1.073 -6.857 -8.582 1.00 0.00 C ATOM 1232 C ALA A 92 0.441 -6.187 -7.370 1.00 0.00 C ATOM 1233 O ALA A 92 -0.628 -5.591 -7.475 1.00 0.00 O ATOM 1234 CB ALA A 92 1.455 -5.821 -9.635 1.00 0.00 C ATOM 0 H ALA A 92 -0.617 -7.384 -9.689 1.00 0.00 H new ATOM 0 HA ALA A 92 1.975 -7.375 -8.257 1.00 0.00 H new ATOM 0 HB1 ALA A 92 2.155 -5.105 -9.204 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.923 -6.320 -10.483 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.560 -5.297 -9.971 1.00 0.00 H new ATOM 1240 N CYS A 93 1.107 -6.286 -6.217 1.00 0.00 N ATOM 1241 CA CYS A 93 0.609 -5.690 -4.993 1.00 0.00 C ATOM 1242 C CYS A 93 1.391 -4.421 -4.683 1.00 0.00 C ATOM 1243 O CYS A 93 2.495 -4.231 -5.188 1.00 0.00 O ATOM 1244 CB CYS A 93 0.736 -6.696 -3.852 1.00 0.00 C ATOM 1245 SG CYS A 93 -0.824 -7.493 -3.398 1.00 0.00 S ATOM 0 H CYS A 93 1.995 -6.777 -6.114 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.442 -5.426 -5.112 1.00 0.00 H new ATOM 0 HB2 CYS A 93 1.455 -7.464 -4.136 1.00 0.00 H new ATOM 0 HB3 CYS A 93 1.141 -6.188 -2.977 1.00 0.00 H new ATOM 1250 N GLN A 94 0.814 -3.551 -3.850 1.00 0.00 N ATOM 1251 CA GLN A 94 1.458 -2.307 -3.480 1.00 0.00 C ATOM 1252 C GLN A 94 0.838 -1.766 -2.199 1.00 0.00 C ATOM 1253 O GLN A 94 -0.350 -1.959 -1.953 1.00 0.00 O ATOM 1254 CB GLN A 94 1.311 -1.302 -4.619 1.00 0.00 C ATOM 1255 CG GLN A 94 0.194 -0.316 -4.287 1.00 0.00 C ATOM 1256 CD GLN A 94 -0.344 0.340 -5.551 1.00 0.00 C ATOM 1257 OE1 GLN A 94 0.082 0.007 -6.655 1.00 0.00 O ATOM 1258 NE2 GLN A 94 -1.282 1.275 -5.386 1.00 0.00 N ATOM 0 H GLN A 94 -0.101 -3.694 -3.423 1.00 0.00 H new ATOM 0 HA GLN A 94 2.519 -2.481 -3.301 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.249 -0.768 -4.770 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.087 -1.822 -5.550 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.613 -0.835 -3.770 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.569 0.449 -3.607 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -1.602 1.516 -4.448 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -1.678 1.749 -6.198 1.00 0.00 H new ATOM 1267 N VAL A 95 1.648 -1.086 -1.384 1.00 0.00 N ATOM 1268 CA VAL A 95 1.177 -0.521 -0.135 1.00 0.00 C ATOM 1269 C VAL A 95 1.058 0.991 -0.267 1.00 0.00 C ATOM 1270 O VAL A 95 1.586 1.577 -1.209 1.00 0.00 O ATOM 1271 CB VAL A 95 2.143 -0.892 0.986 1.00 0.00 C ATOM 1272 CG1 VAL A 95 2.039 0.137 2.108 1.00 0.00 C ATOM 1273 CG2 VAL A 95 1.787 -2.273 1.528 1.00 0.00 C ATOM 0 H VAL A 95 2.636 -0.917 -1.575 1.00 0.00 H new ATOM 0 HA VAL A 95 0.193 -0.924 0.104 1.00 0.00 H new ATOM 0 HB VAL A 95 3.162 -0.905 0.598 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.729 -0.127 2.909 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.293 1.124 1.721 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.020 0.151 2.496 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.477 -2.538 2.329 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.768 -2.260 1.916 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.861 -3.008 0.727 1.00 0.00 H new ATOM 1283 N GLY A 96 0.361 1.622 0.681 1.00 0.00 N ATOM 1284 CA GLY A 96 0.180 3.060 0.661 1.00 0.00 C ATOM 1285 C GLY A 96 -0.593 3.511 1.892 1.00 0.00 C ATOM 1286 O GLY A 96 -1.214 2.697 2.572 1.00 0.00 O ATOM 0 H GLY A 96 -0.084 1.152 1.469 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.150 3.555 0.631 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.356 3.354 -0.241 1.00 0.00 H new ATOM 1290 N LEU A 97 -0.552 4.815 2.179 1.00 0.00 N ATOM 1291 CA LEU A 97 -1.246 5.368 3.325 1.00 0.00 C ATOM 1292 C LEU A 97 -2.042 6.595 2.904 1.00 0.00 C ATOM 1293 O LEU A 97 -1.514 7.481 2.235 1.00 0.00 O ATOM 1294 CB LEU A 97 -0.233 5.726 4.408 1.00 0.00 C ATOM 1295 CG LEU A 97 0.613 6.908 3.942 1.00 0.00 C ATOM 1296 CD1 LEU A 97 0.762 7.909 5.084 1.00 0.00 C ATOM 1297 CD2 LEU A 97 1.992 6.410 3.518 1.00 0.00 C ATOM 0 H LEU A 97 -0.041 5.503 1.626 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.940 4.629 3.725 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.749 5.977 5.335 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.406 4.869 4.621 1.00 0.00 H new ATOM 0 HG LEU A 97 0.126 7.393 3.096 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.366 8.753 4.751 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.223 8.265 5.387 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.249 7.425 5.931 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.597 7.253 3.185 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.480 5.925 4.364 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.886 5.695 2.702 1.00 0.00 H new ATOM 1309 N SER A 98 -3.317 6.646 3.298 1.00 0.00 N ATOM 1310 CA SER A 98 -4.176 7.763 2.961 1.00 0.00 C ATOM 1311 C SER A 98 -4.555 8.522 4.224 1.00 0.00 C ATOM 1312 O SER A 98 -4.618 7.941 5.306 1.00 0.00 O ATOM 1313 CB SER A 98 -5.421 7.248 2.245 1.00 0.00 C ATOM 1314 OG SER A 98 -5.086 6.880 0.926 1.00 0.00 O ATOM 0 H SER A 98 -3.770 5.920 3.852 1.00 0.00 H new ATOM 0 HA SER A 98 -3.647 8.446 2.296 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.833 6.392 2.779 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.192 8.018 2.234 1.00 0.00 H new ATOM 0 HG SER A 98 -5.885 6.548 0.466 1.00 0.00 H new ATOM 1320 N ASP A 99 -4.809 9.825 4.086 1.00 0.00 N ATOM 1321 CA ASP A 99 -5.180 10.656 5.214 1.00 0.00 C ATOM 1322 C ASP A 99 -6.651 11.036 5.112 1.00 0.00 C ATOM 1323 O ASP A 99 -7.423 10.357 4.439 1.00 0.00 O ATOM 1324 CB ASP A 99 -4.300 11.902 5.238 1.00 0.00 C ATOM 1325 CG ASP A 99 -4.892 13.003 4.368 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.083 12.733 3.163 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -5.142 14.093 4.925 1.00 0.00 O ATOM 0 H ASP A 99 -4.762 10.322 3.196 1.00 0.00 H new ATOM 0 HA ASP A 99 -5.031 10.104 6.142 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -4.196 12.259 6.263 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -3.300 11.652 4.885 1.00 0.00 H new ATOM 1332 N ALA A 100 -7.036 12.124 5.782 1.00 0.00 N ATOM 1333 CA ALA A 100 -8.409 12.586 5.765 1.00 0.00 C ATOM 1334 C ALA A 100 -8.761 13.103 4.377 1.00 0.00 C ATOM 1335 O ALA A 100 -9.802 12.750 3.826 1.00 0.00 O ATOM 1336 CB ALA A 100 -8.590 13.681 6.812 1.00 0.00 C ATOM 0 H ALA A 100 -6.407 12.698 6.343 1.00 0.00 H new ATOM 0 HA ALA A 100 -9.078 11.760 6.004 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -9.623 14.029 6.800 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.353 13.284 7.799 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.924 14.514 6.586 1.00 0.00 H new ATOM 1342 N ALA A 101 -7.891 13.943 3.813 1.00 0.00 N ATOM 1343 CA ALA A 101 -8.114 14.505 2.496 1.00 0.00 C ATOM 1344 C ALA A 101 -7.991 13.414 1.442 1.00 0.00 C ATOM 1345 O ALA A 101 -8.563 13.525 0.361 1.00 0.00 O ATOM 1346 CB ALA A 101 -7.103 15.620 2.242 1.00 0.00 C ATOM 0 H ALA A 101 -7.024 14.245 4.257 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.119 14.924 2.440 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.270 16.044 1.252 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -7.224 16.399 2.995 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.093 15.215 2.298 1.00 0.00 H new ATOM 1352 N GLY A 102 -7.240 12.356 1.759 1.00 0.00 N ATOM 1353 CA GLY A 102 -7.049 11.255 0.837 1.00 0.00 C ATOM 1354 C GLY A 102 -5.772 11.456 0.033 1.00 0.00 C ATOM 1355 O GLY A 102 -5.797 11.428 -1.195 1.00 0.00 O ATOM 0 H GLY A 102 -6.757 12.247 2.651 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -6.996 10.316 1.387 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -7.903 11.183 0.164 1.00 0.00 H new ATOM 1359 N ASN A 103 -4.652 11.660 0.731 1.00 0.00 N ATOM 1360 CA ASN A 103 -3.374 11.864 0.080 1.00 0.00 C ATOM 1361 C ASN A 103 -2.319 10.967 0.714 1.00 0.00 C ATOM 1362 O ASN A 103 -2.543 10.399 1.780 1.00 0.00 O ATOM 1363 CB ASN A 103 -2.974 13.332 0.195 1.00 0.00 C ATOM 1364 CG ASN A 103 -2.036 13.549 1.373 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -0.926 14.048 1.201 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -2.485 13.174 2.573 1.00 0.00 N ATOM 0 H ASN A 103 -4.614 11.687 1.750 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.455 11.603 -0.975 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -2.488 13.654 -0.726 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -3.865 13.947 0.317 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -1.899 13.297 3.398 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -3.415 12.764 2.664 1.00 0.00 H new ATOM 1373 N GLY A 104 -1.165 10.841 0.054 1.00 0.00 N ATOM 1374 CA GLY A 104 -0.087 10.016 0.559 1.00 0.00 C ATOM 1375 C GLY A 104 1.186 10.264 -0.238 1.00 0.00 C ATOM 1376 O GLY A 104 1.171 10.999 -1.224 1.00 0.00 O ATOM 0 H GLY A 104 -0.962 11.304 -0.832 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.086 10.237 1.612 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.365 8.964 0.496 1.00 0.00 H new ATOM 1380 N PRO A 105 2.290 9.649 0.191 1.00 0.00 N ATOM 1381 CA PRO A 105 3.587 9.766 -0.440 1.00 0.00 C ATOM 1382 C PRO A 105 3.586 9.000 -1.755 1.00 0.00 C ATOM 1383 O PRO A 105 2.672 8.223 -2.022 1.00 0.00 O ATOM 1384 CB PRO A 105 4.565 9.145 0.556 1.00 0.00 C ATOM 1385 CG PRO A 105 3.707 8.096 1.262 1.00 0.00 C ATOM 1386 CD PRO A 105 2.344 8.779 1.346 1.00 0.00 C ATOM 0 HA PRO A 105 3.854 10.797 -0.673 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.422 8.696 0.055 1.00 0.00 H new ATOM 0 HB3 PRO A 105 4.956 9.885 1.254 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.659 7.165 0.697 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.098 7.850 2.249 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.535 8.049 1.328 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.243 9.345 2.272 1.00 0.00 H new ATOM 1394 N GLU A 106 4.615 9.220 -2.577 1.00 0.00 N ATOM 1395 CA GLU A 106 4.723 8.549 -3.857 1.00 0.00 C ATOM 1396 C GLU A 106 4.247 7.109 -3.731 1.00 0.00 C ATOM 1397 O GLU A 106 4.745 6.359 -2.894 1.00 0.00 O ATOM 1398 CB GLU A 106 6.172 8.600 -4.335 1.00 0.00 C ATOM 1399 CG GLU A 106 7.107 8.381 -3.149 1.00 0.00 C ATOM 1400 CD GLU A 106 7.849 9.662 -2.799 1.00 0.00 C ATOM 1401 OE1 GLU A 106 7.177 10.589 -2.298 1.00 0.00 O ATOM 1402 OE2 GLU A 106 9.076 9.691 -3.039 1.00 0.00 O ATOM 0 H GLU A 106 5.382 9.860 -2.371 1.00 0.00 H new ATOM 0 HA GLU A 106 4.093 9.054 -4.589 1.00 0.00 H new ATOM 0 HB2 GLU A 106 6.343 7.835 -5.093 1.00 0.00 H new ATOM 0 HB3 GLU A 106 6.379 9.563 -4.802 1.00 0.00 H new ATOM 0 HG2 GLU A 106 6.534 8.041 -2.287 1.00 0.00 H new ATOM 0 HG3 GLU A 106 7.823 7.594 -3.386 1.00 0.00 H new ATOM 1409 N GLY A 107 3.280 6.722 -4.567 1.00 0.00 N ATOM 1410 CA GLY A 107 2.746 5.375 -4.541 1.00 0.00 C ATOM 1411 C GLY A 107 3.855 4.374 -4.251 1.00 0.00 C ATOM 1412 O GLY A 107 5.027 4.654 -4.491 1.00 0.00 O ATOM 0 H GLY A 107 2.856 7.330 -5.268 1.00 0.00 H new ATOM 0 HA2 GLY A 107 1.970 5.299 -3.780 1.00 0.00 H new ATOM 0 HA3 GLY A 107 2.278 5.143 -5.498 1.00 0.00 H new ATOM 1416 N VAL A 108 3.481 3.202 -3.732 1.00 0.00 N ATOM 1417 CA VAL A 108 4.442 2.166 -3.412 1.00 0.00 C ATOM 1418 C VAL A 108 4.154 0.922 -4.241 1.00 0.00 C ATOM 1419 O VAL A 108 3.223 0.177 -3.943 1.00 0.00 O ATOM 1420 CB VAL A 108 4.370 1.850 -1.921 1.00 0.00 C ATOM 1421 CG1 VAL A 108 5.268 0.656 -1.609 1.00 0.00 C ATOM 1422 CG2 VAL A 108 4.840 3.062 -1.121 1.00 0.00 C ATOM 0 H VAL A 108 2.513 2.955 -3.527 1.00 0.00 H new ATOM 0 HA VAL A 108 5.448 2.512 -3.649 1.00 0.00 H new ATOM 0 HB VAL A 108 3.342 1.611 -1.650 1.00 0.00 H new ATOM 0 HG11 VAL A 108 5.216 0.430 -0.544 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.933 -0.210 -2.180 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.297 0.894 -1.880 1.00 0.00 H new ATOM 0 HG21 VAL A 108 4.789 2.837 -0.056 1.00 0.00 H new ATOM 0 HG22 VAL A 108 5.868 3.301 -1.392 1.00 0.00 H new ATOM 0 HG23 VAL A 108 4.199 3.915 -1.343 1.00 0.00 H new ATOM 1432 N ALA A 109 4.957 0.700 -5.285 1.00 0.00 N ATOM 1433 CA ALA A 109 4.784 -0.449 -6.150 1.00 0.00 C ATOM 1434 C ALA A 109 5.470 -1.663 -5.539 1.00 0.00 C ATOM 1435 O ALA A 109 6.592 -1.563 -5.049 1.00 0.00 O ATOM 1436 CB ALA A 109 5.362 -0.138 -7.528 1.00 0.00 C ATOM 0 H ALA A 109 5.733 1.309 -5.545 1.00 0.00 H new ATOM 0 HA ALA A 109 3.722 -0.672 -6.257 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.233 -1.002 -8.180 1.00 0.00 H new ATOM 0 HB2 ALA A 109 4.843 0.720 -7.955 1.00 0.00 H new ATOM 0 HB3 ALA A 109 6.424 0.090 -7.434 1.00 0.00 H new ATOM 1442 N ILE A 110 4.791 -2.812 -5.569 1.00 0.00 N ATOM 1443 CA ILE A 110 5.335 -4.038 -5.020 1.00 0.00 C ATOM 1444 C ILE A 110 4.884 -5.224 -5.862 1.00 0.00 C ATOM 1445 O ILE A 110 4.216 -5.047 -6.878 1.00 0.00 O ATOM 1446 CB ILE A 110 4.877 -4.195 -3.573 1.00 0.00 C ATOM 1447 CG1 ILE A 110 3.356 -4.082 -3.505 1.00 0.00 C ATOM 1448 CG2 ILE A 110 5.507 -3.100 -2.718 1.00 0.00 C ATOM 1449 CD1 ILE A 110 2.819 -5.060 -2.465 1.00 0.00 C ATOM 0 H ILE A 110 3.859 -2.910 -5.972 1.00 0.00 H new ATOM 0 HA ILE A 110 6.424 -3.998 -5.039 1.00 0.00 H new ATOM 0 HB ILE A 110 5.186 -5.171 -3.199 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.068 -3.064 -3.245 1.00 0.00 H new ATOM 0 HG13 ILE A 110 2.921 -4.297 -4.481 1.00 0.00 H new ATOM 0 HG21 ILE A 110 5.180 -3.212 -1.684 1.00 0.00 H new ATOM 0 HG22 ILE A 110 6.593 -3.181 -2.766 1.00 0.00 H new ATOM 0 HG23 ILE A 110 5.199 -2.124 -3.092 1.00 0.00 H new ATOM 0 HD11 ILE A 110 1.733 -4.979 -2.416 1.00 0.00 H new ATOM 0 HD12 ILE A 110 3.095 -6.077 -2.745 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.244 -4.824 -1.490 1.00 0.00 H new ATOM 1461 N SER A 111 5.250 -6.435 -5.436 1.00 0.00 N ATOM 1462 CA SER A 111 4.880 -7.639 -6.151 1.00 0.00 C ATOM 1463 C SER A 111 5.366 -8.863 -5.388 1.00 0.00 C ATOM 1464 O SER A 111 6.009 -8.735 -4.348 1.00 0.00 O ATOM 1465 CB SER A 111 5.481 -7.602 -7.553 1.00 0.00 C ATOM 1466 OG SER A 111 4.443 -7.585 -8.509 1.00 0.00 O ATOM 0 H SER A 111 5.804 -6.599 -4.595 1.00 0.00 H new ATOM 0 HA SER A 111 3.795 -7.697 -6.236 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.110 -6.719 -7.668 1.00 0.00 H new ATOM 0 HB3 SER A 111 6.120 -8.471 -7.710 1.00 0.00 H new ATOM 0 HG SER A 111 4.828 -7.559 -9.410 1.00 0.00 H new ATOM 1472 N PHE A 112 5.058 -10.054 -5.907 1.00 0.00 N ATOM 1473 CA PHE A 112 5.467 -11.291 -5.273 1.00 0.00 C ATOM 1474 C PHE A 112 6.184 -12.177 -6.282 1.00 0.00 C ATOM 1475 O PHE A 112 5.576 -12.647 -7.241 1.00 0.00 O ATOM 1476 CB PHE A 112 4.240 -12.000 -4.707 1.00 0.00 C ATOM 1477 CG PHE A 112 3.485 -11.178 -3.689 1.00 0.00 C ATOM 1478 CD1 PHE A 112 2.856 -9.989 -4.077 1.00 0.00 C ATOM 1479 CD2 PHE A 112 3.413 -11.607 -2.358 1.00 0.00 C ATOM 1480 CE1 PHE A 112 2.155 -9.229 -3.133 1.00 0.00 C ATOM 1481 CE2 PHE A 112 2.711 -10.847 -1.415 1.00 0.00 C ATOM 1482 CZ PHE A 112 2.083 -9.658 -1.802 1.00 0.00 C ATOM 0 H PHE A 112 4.525 -10.179 -6.768 1.00 0.00 H new ATOM 0 HA PHE A 112 6.156 -11.075 -4.456 1.00 0.00 H new ATOM 0 HB2 PHE A 112 3.568 -12.256 -5.526 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.552 -12.937 -4.246 1.00 0.00 H new ATOM 0 HD1 PHE A 112 2.911 -9.658 -5.104 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.899 -12.524 -2.059 1.00 0.00 H new ATOM 0 HE1 PHE A 112 1.670 -8.312 -3.431 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.654 -11.178 -0.389 1.00 0.00 H new ATOM 0 HZ PHE A 112 1.543 -9.071 -1.074 1.00 0.00 H new ATOM 1492 N ASN A 113 7.481 -12.404 -6.064 1.00 0.00 N ATOM 1493 CA ASN A 113 8.271 -13.231 -6.954 1.00 0.00 C ATOM 1494 C ASN A 113 9.743 -13.142 -6.575 1.00 0.00 C ATOM 1495 O ASN A 113 10.452 -14.146 -6.589 1.00 0.00 O ATOM 1496 CB ASN A 113 8.056 -12.775 -8.395 1.00 0.00 C ATOM 1497 CG ASN A 113 8.326 -11.285 -8.539 1.00 0.00 C ATOM 1498 OD1 ASN A 113 7.272 -10.472 -8.433 1.00 0.00 O flip ATOM 1499 ND2 ASN A 113 9.467 -10.876 -8.744 1.00 0.00 N flip ATOM 0 H ASN A 113 8.000 -12.022 -5.274 1.00 0.00 H new ATOM 0 HA ASN A 113 7.956 -14.271 -6.863 1.00 0.00 H new ATOM 0 HB2 ASN A 113 8.715 -13.334 -9.060 1.00 0.00 H new ATOM 0 HB3 ASN A 113 7.033 -12.995 -8.701 1.00 0.00 H new ATOM 0 HD21 ASN A 113 10.240 -11.537 -8.817 1.00 0.00 H new ATOM 0 HD22 ASN A 113 9.640 -9.876 -8.841 1.00 0.00 H new