USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 728 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 30 THR OG1 : rot 88:sc= 0.793 USER MOD Set 1.2: A 32 TYR OH : rot -4:sc= -0.548 USER MOD Set 2.1: A 14 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 113 ASN : amide:sc= -0.499 K(o=-0.5,f=0.61) USER MOD Single : A 1 ALA N :NH3+ -113:sc= 0.0747 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0612 USER MOD Single : A 6 THR OG1 : rot 48:sc= 1.1 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= -0.223 USER MOD Single : A 11 SER OG : rot 180:sc=-0.00697 USER MOD Single : A 17 THR OG1 : rot 73:sc= 1.22 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.113 K(o=-0.11,f=-0.99) USER MOD Single : A 36 GLN : amide:sc= -1.04! C(o=-1!,f=-6.7!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.00279 USER MOD Single : A 48 ASN : amide:sc= -0.447! C(o=-0.45!,f=-9.5!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -84:sc= 1.25 USER MOD Single : A 56 THR OG1 : rot 30:sc= 0.00469 USER MOD Single : A 60 ASN : amide:sc= 1.1 K(o=1.1,f=-0.22) USER MOD Single : A 62 SER OG : rot 30:sc= 1.11 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 120:sc= -0.161 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -81:sc= 1.26 USER MOD Single : A 81 THR OG1 : rot 99:sc= 0.971 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 125:sc= 0.857 USER MOD Single : A 90 THR OG1 : rot -48:sc= 0.806 USER MOD Single : A 94 GLN : amide:sc= -1.33 K(o=-1.3,f=-3.1!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -0.459 X(o=-0.46,f=-0.21) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.274 5.743 15.499 1.00 0.00 N ATOM 2 CA ALA A 1 -16.845 4.395 15.288 1.00 0.00 C ATOM 3 C ALA A 1 -15.746 3.413 14.906 1.00 0.00 C ATOM 4 O ALA A 1 -14.701 3.812 14.392 1.00 0.00 O ATOM 5 CB ALA A 1 -17.919 4.434 14.211 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.357 6.002 16.503 1.00 0.00 H new ATOM 0 H2 ALA A 1 -15.271 5.742 15.224 1.00 0.00 H new ATOM 0 H3 ALA A 1 -16.791 6.434 14.919 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.304 4.062 16.219 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -18.328 3.434 14.069 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.716 5.112 14.516 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -17.483 4.784 13.275 1.00 0.00 H new ATOM 11 N ALA A 2 -15.989 2.133 15.154 1.00 0.00 N ATOM 12 CA ALA A 2 -15.017 1.096 14.843 1.00 0.00 C ATOM 13 C ALA A 2 -15.082 0.711 13.369 1.00 0.00 C ATOM 14 O ALA A 2 -16.112 0.229 12.889 1.00 0.00 O ATOM 15 CB ALA A 2 -15.252 -0.122 15.724 1.00 0.00 C ATOM 0 H ALA A 2 -16.854 1.788 15.571 1.00 0.00 H new ATOM 0 HA ALA A 2 -14.020 1.488 15.043 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.519 -0.892 15.483 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -15.150 0.161 16.772 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -16.256 -0.509 15.549 1.00 0.00 H new ATOM 21 N PRO A 3 -13.980 0.926 12.630 1.00 0.00 N ATOM 22 CA PRO A 3 -13.900 0.602 11.204 1.00 0.00 C ATOM 23 C PRO A 3 -13.697 -0.891 10.966 1.00 0.00 C ATOM 24 O PRO A 3 -13.493 -1.658 11.910 1.00 0.00 O ATOM 25 CB PRO A 3 -12.678 1.391 10.739 1.00 0.00 C ATOM 26 CG PRO A 3 -11.799 1.461 11.941 1.00 0.00 C ATOM 27 CD PRO A 3 -12.715 1.499 13.135 1.00 0.00 C ATOM 0 HA PRO A 3 -14.816 0.853 10.669 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.176 0.893 9.909 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -12.956 2.386 10.392 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.135 0.598 11.988 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.166 2.348 11.908 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.315 0.916 13.964 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.855 2.517 13.499 1.00 0.00 H new ATOM 35 N THR A 4 -13.745 -1.300 9.707 1.00 0.00 N ATOM 36 CA THR A 4 -13.571 -2.700 9.361 1.00 0.00 C ATOM 37 C THR A 4 -12.513 -2.871 8.271 1.00 0.00 C ATOM 38 O THR A 4 -12.786 -2.688 7.085 1.00 0.00 O ATOM 39 CB THR A 4 -14.907 -3.323 8.905 1.00 0.00 C ATOM 40 OG1 THR A 4 -15.775 -2.296 8.406 1.00 0.00 O ATOM 41 CG2 THR A 4 -15.591 -4.043 10.055 1.00 0.00 C ATOM 0 H THR A 4 -13.903 -0.683 8.910 1.00 0.00 H new ATOM 0 HA THR A 4 -13.230 -3.221 10.256 1.00 0.00 H new ATOM 0 HB THR A 4 -14.695 -4.046 8.117 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.621 -2.696 8.116 1.00 0.00 H new ATOM 0 HG21 THR A 4 -16.530 -4.473 9.708 1.00 0.00 H new ATOM 0 HG22 THR A 4 -14.942 -4.838 10.424 1.00 0.00 H new ATOM 0 HG23 THR A 4 -15.792 -3.335 10.859 1.00 0.00 H new ATOM 49 N ALA A 5 -11.301 -3.202 8.686 1.00 0.00 N ATOM 50 CA ALA A 5 -10.204 -3.398 7.752 1.00 0.00 C ATOM 51 C ALA A 5 -10.007 -4.881 7.465 1.00 0.00 C ATOM 52 O ALA A 5 -9.574 -5.638 8.337 1.00 0.00 O ATOM 53 CB ALA A 5 -8.921 -2.792 8.294 1.00 0.00 C ATOM 0 H ALA A 5 -11.052 -3.341 9.665 1.00 0.00 H new ATOM 0 HA ALA A 5 -10.456 -2.892 6.820 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.114 -2.950 7.579 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.062 -1.723 8.451 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.666 -3.268 9.241 1.00 0.00 H new ATOM 59 N THR A 6 -10.328 -5.289 6.249 1.00 0.00 N ATOM 60 CA THR A 6 -10.196 -6.682 5.844 1.00 0.00 C ATOM 61 C THR A 6 -9.205 -6.829 4.692 1.00 0.00 C ATOM 62 O THR A 6 -9.561 -6.650 3.530 1.00 0.00 O ATOM 63 CB THR A 6 -11.558 -7.256 5.417 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.390 -6.203 4.902 1.00 0.00 O ATOM 65 CG2 THR A 6 -12.250 -7.943 6.586 1.00 0.00 C ATOM 0 H THR A 6 -10.684 -4.672 5.519 1.00 0.00 H new ATOM 0 HA THR A 6 -9.823 -7.238 6.704 1.00 0.00 H new ATOM 0 HB THR A 6 -11.390 -7.999 4.637 1.00 0.00 H new ATOM 0 HG1 THR A 6 -11.878 -5.664 4.263 1.00 0.00 H new ATOM 0 HG21 THR A 6 -13.211 -8.340 6.258 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.625 -8.759 6.950 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.410 -7.223 7.388 1.00 0.00 H new ATOM 73 N VAL A 7 -7.963 -7.148 5.012 1.00 0.00 N ATOM 74 CA VAL A 7 -6.941 -7.306 3.990 1.00 0.00 C ATOM 75 C VAL A 7 -6.380 -8.726 3.991 1.00 0.00 C ATOM 76 O VAL A 7 -6.461 -9.438 4.994 1.00 0.00 O ATOM 77 CB VAL A 7 -5.788 -6.291 4.176 1.00 0.00 C ATOM 78 CG1 VAL A 7 -6.322 -4.864 4.152 1.00 0.00 C ATOM 79 CG2 VAL A 7 -5.023 -6.552 5.472 1.00 0.00 C ATOM 0 H VAL A 7 -7.638 -7.302 5.966 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.419 -7.113 3.029 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.094 -6.419 3.345 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.497 -4.164 4.284 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.809 -4.674 3.196 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.043 -4.732 4.959 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.220 -5.822 5.574 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.703 -6.464 6.320 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.600 -7.556 5.449 1.00 0.00 H new ATOM 89 N THR A 8 -5.827 -9.133 2.862 1.00 0.00 N ATOM 90 CA THR A 8 -5.248 -10.459 2.723 1.00 0.00 C ATOM 91 C THR A 8 -3.743 -10.357 2.484 1.00 0.00 C ATOM 92 O THR A 8 -3.311 -9.983 1.396 1.00 0.00 O ATOM 93 CB THR A 8 -5.894 -11.226 1.551 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.323 -11.209 1.677 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.404 -12.667 1.498 1.00 0.00 C ATOM 0 H THR A 8 -5.766 -8.559 2.021 1.00 0.00 H new ATOM 0 HA THR A 8 -5.438 -11.002 3.649 1.00 0.00 H new ATOM 0 HB THR A 8 -5.603 -10.729 0.626 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.723 -11.697 0.927 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.877 -13.182 0.662 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.322 -12.679 1.366 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.662 -13.173 2.428 1.00 0.00 H new ATOM 103 N PRO A 9 -2.927 -10.667 3.503 1.00 0.00 N ATOM 104 CA PRO A 9 -1.470 -10.609 3.387 1.00 0.00 C ATOM 105 C PRO A 9 -0.892 -11.816 2.652 1.00 0.00 C ATOM 106 O PRO A 9 -1.422 -12.923 2.734 1.00 0.00 O ATOM 107 CB PRO A 9 -1.010 -10.589 4.843 1.00 0.00 C ATOM 108 CG PRO A 9 -2.066 -11.333 5.584 1.00 0.00 C ATOM 109 CD PRO A 9 -3.360 -11.090 4.848 1.00 0.00 C ATOM 0 HA PRO A 9 -1.137 -9.749 2.806 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.036 -11.065 4.957 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.911 -9.568 5.213 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.836 -12.398 5.622 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.135 -10.985 6.615 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.971 -11.991 4.806 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.959 -10.321 5.336 1.00 0.00 H new ATOM 117 N SER A 10 0.196 -11.596 1.932 1.00 0.00 N ATOM 118 CA SER A 10 0.857 -12.651 1.179 1.00 0.00 C ATOM 119 C SER A 10 2.030 -13.231 1.969 1.00 0.00 C ATOM 120 O SER A 10 3.074 -13.561 1.402 1.00 0.00 O ATOM 121 CB SER A 10 1.338 -12.084 -0.156 1.00 0.00 C ATOM 122 OG SER A 10 1.362 -10.663 -0.120 1.00 0.00 O ATOM 0 H SER A 10 0.645 -10.684 1.853 1.00 0.00 H new ATOM 0 HA SER A 10 0.149 -13.459 0.998 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.335 -12.464 -0.380 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.681 -12.421 -0.958 1.00 0.00 H new ATOM 0 HG SER A 10 1.674 -10.319 -0.983 1.00 0.00 H new ATOM 128 N SER A 11 1.845 -13.356 3.278 1.00 0.00 N ATOM 129 CA SER A 11 2.874 -13.887 4.161 1.00 0.00 C ATOM 130 C SER A 11 3.210 -15.335 3.810 1.00 0.00 C ATOM 131 O SER A 11 2.382 -16.233 3.976 1.00 0.00 O ATOM 132 CB SER A 11 2.398 -13.798 5.611 1.00 0.00 C ATOM 133 OG SER A 11 1.830 -12.526 5.877 1.00 0.00 O ATOM 0 H SER A 11 0.982 -13.093 3.754 1.00 0.00 H new ATOM 0 HA SER A 11 3.778 -13.292 4.034 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.662 -14.578 5.805 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.236 -13.975 6.285 1.00 0.00 H new ATOM 0 HG SER A 11 1.530 -12.490 6.809 1.00 0.00 H new ATOM 139 N GLY A 12 4.421 -15.550 3.308 1.00 0.00 N ATOM 140 CA GLY A 12 4.846 -16.891 2.957 1.00 0.00 C ATOM 141 C GLY A 12 4.631 -17.217 1.495 1.00 0.00 C ATOM 142 O GLY A 12 4.745 -18.374 1.092 1.00 0.00 O ATOM 0 H GLY A 12 5.114 -14.821 3.138 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.903 -17.006 3.197 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.301 -17.610 3.568 1.00 0.00 H new ATOM 146 N LEU A 13 4.317 -16.206 0.697 1.00 0.00 N ATOM 147 CA LEU A 13 4.085 -16.413 -0.727 1.00 0.00 C ATOM 148 C LEU A 13 5.247 -15.868 -1.547 1.00 0.00 C ATOM 149 O LEU A 13 6.147 -15.225 -1.012 1.00 0.00 O ATOM 150 CB LEU A 13 2.774 -15.753 -1.159 1.00 0.00 C ATOM 151 CG LEU A 13 1.508 -16.365 -0.548 1.00 0.00 C ATOM 152 CD1 LEU A 13 0.265 -15.710 -1.125 1.00 0.00 C ATOM 153 CD2 LEU A 13 1.469 -17.866 -0.787 1.00 0.00 C ATOM 0 H LEU A 13 4.217 -15.240 1.008 1.00 0.00 H new ATOM 0 HA LEU A 13 4.010 -17.485 -0.907 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.812 -14.696 -0.895 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.698 -15.807 -2.245 1.00 0.00 H new ATOM 0 HG LEU A 13 1.529 -16.185 0.527 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.623 -16.158 -0.679 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.282 -14.642 -0.906 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.243 -15.859 -2.205 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.563 -18.281 -0.346 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.474 -18.064 -1.859 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.342 -18.330 -0.328 1.00 0.00 H new ATOM 165 N SER A 14 5.230 -16.139 -2.843 1.00 0.00 N ATOM 166 CA SER A 14 6.283 -15.683 -3.741 1.00 0.00 C ATOM 167 C SER A 14 6.046 -14.240 -4.173 1.00 0.00 C ATOM 168 O SER A 14 5.028 -13.638 -3.824 1.00 0.00 O ATOM 169 CB SER A 14 6.326 -16.597 -4.964 1.00 0.00 C ATOM 170 OG SER A 14 6.084 -17.945 -4.591 1.00 0.00 O ATOM 0 H SER A 14 4.493 -16.676 -3.300 1.00 0.00 H new ATOM 0 HA SER A 14 7.237 -15.722 -3.216 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.580 -16.276 -5.691 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.299 -16.518 -5.450 1.00 0.00 H new ATOM 0 HG SER A 14 6.114 -18.515 -5.387 1.00 0.00 H new ATOM 176 N ASP A 15 6.988 -13.673 -4.919 1.00 0.00 N ATOM 177 CA ASP A 15 6.842 -12.308 -5.406 1.00 0.00 C ATOM 178 C ASP A 15 5.955 -12.297 -6.641 1.00 0.00 C ATOM 179 O ASP A 15 5.903 -13.277 -7.382 1.00 0.00 O ATOM 180 CB ASP A 15 8.199 -11.660 -5.713 1.00 0.00 C ATOM 181 CG ASP A 15 9.125 -12.538 -6.537 1.00 0.00 C ATOM 182 OD1 ASP A 15 8.872 -12.726 -7.747 1.00 0.00 O ATOM 183 OD2 ASP A 15 10.127 -13.026 -5.975 1.00 0.00 O ATOM 0 H ASP A 15 7.854 -14.134 -5.197 1.00 0.00 H new ATOM 0 HA ASP A 15 6.375 -11.717 -4.617 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.032 -10.724 -6.246 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.692 -11.409 -4.774 1.00 0.00 H new ATOM 188 N GLY A 16 5.247 -11.199 -6.851 1.00 0.00 N ATOM 189 CA GLY A 16 4.357 -11.097 -7.990 1.00 0.00 C ATOM 190 C GLY A 16 2.940 -11.487 -7.627 1.00 0.00 C ATOM 191 O GLY A 16 2.045 -11.475 -8.471 1.00 0.00 O ATOM 0 H GLY A 16 5.272 -10.374 -6.252 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.368 -10.076 -8.370 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.718 -11.740 -8.793 1.00 0.00 H new ATOM 195 N THR A 17 2.741 -11.839 -6.362 1.00 0.00 N ATOM 196 CA THR A 17 1.431 -12.230 -5.864 1.00 0.00 C ATOM 197 C THR A 17 0.507 -11.017 -5.750 1.00 0.00 C ATOM 198 O THR A 17 0.963 -9.889 -5.554 1.00 0.00 O ATOM 199 CB THR A 17 1.554 -12.922 -4.491 1.00 0.00 C ATOM 200 OG1 THR A 17 2.564 -13.934 -4.560 1.00 0.00 O ATOM 201 CG2 THR A 17 0.238 -13.557 -4.062 1.00 0.00 C ATOM 0 H THR A 17 3.479 -11.861 -5.658 1.00 0.00 H new ATOM 0 HA THR A 17 1.000 -12.933 -6.577 1.00 0.00 H new ATOM 0 HB THR A 17 1.821 -12.164 -3.754 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.448 -13.512 -4.586 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.364 -14.035 -3.090 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.531 -12.788 -3.991 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.062 -14.304 -4.797 1.00 0.00 H new ATOM 209 N VAL A 18 -0.787 -11.253 -5.897 1.00 0.00 N ATOM 210 CA VAL A 18 -1.769 -10.193 -5.807 1.00 0.00 C ATOM 211 C VAL A 18 -2.294 -10.061 -4.377 1.00 0.00 C ATOM 212 O VAL A 18 -2.826 -11.015 -3.807 1.00 0.00 O ATOM 213 CB VAL A 18 -2.949 -10.442 -6.766 1.00 0.00 C ATOM 214 CG1 VAL A 18 -3.827 -9.209 -6.857 1.00 0.00 C ATOM 215 CG2 VAL A 18 -2.449 -10.854 -8.145 1.00 0.00 C ATOM 0 H VAL A 18 -1.180 -12.176 -6.080 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.274 -9.266 -6.095 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.548 -11.261 -6.368 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.656 -9.402 -7.538 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.218 -8.967 -5.869 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.239 -8.370 -7.229 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.300 -11.024 -8.805 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.823 -10.062 -8.557 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.865 -11.771 -8.061 1.00 0.00 H new ATOM 225 N VAL A 19 -2.120 -8.885 -3.801 1.00 0.00 N ATOM 226 CA VAL A 19 -2.578 -8.615 -2.443 1.00 0.00 C ATOM 227 C VAL A 19 -3.964 -7.980 -2.464 1.00 0.00 C ATOM 228 O VAL A 19 -4.179 -6.972 -3.136 1.00 0.00 O ATOM 229 CB VAL A 19 -1.602 -7.680 -1.694 1.00 0.00 C ATOM 230 CG1 VAL A 19 -2.053 -7.464 -0.258 1.00 0.00 C ATOM 231 CG2 VAL A 19 -0.192 -8.245 -1.726 1.00 0.00 C ATOM 0 H VAL A 19 -1.662 -8.094 -4.254 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.620 -9.569 -1.918 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.602 -6.715 -2.201 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.350 -6.803 0.249 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.045 -7.012 -0.252 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.088 -8.422 0.261 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.481 -7.573 -1.194 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.181 -9.224 -1.247 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.137 -8.344 -2.760 1.00 0.00 H new ATOM 241 N LYS A 20 -4.901 -8.572 -1.733 1.00 0.00 N ATOM 242 CA LYS A 20 -6.262 -8.056 -1.680 1.00 0.00 C ATOM 243 C LYS A 20 -6.448 -7.149 -0.467 1.00 0.00 C ATOM 244 O LYS A 20 -6.134 -7.534 0.661 1.00 0.00 O ATOM 245 CB LYS A 20 -7.272 -9.203 -1.630 1.00 0.00 C ATOM 246 CG LYS A 20 -8.723 -8.738 -1.648 1.00 0.00 C ATOM 247 CD LYS A 20 -9.684 -9.882 -1.372 1.00 0.00 C ATOM 248 CE LYS A 20 -9.769 -10.846 -2.543 1.00 0.00 C ATOM 249 NZ LYS A 20 -10.595 -12.035 -2.211 1.00 0.00 N ATOM 0 H LYS A 20 -4.743 -9.408 -1.170 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.436 -7.473 -2.584 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.100 -9.865 -2.479 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.098 -9.790 -0.728 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.864 -7.956 -0.901 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.952 -8.297 -2.618 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.361 -10.421 -0.481 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.675 -9.480 -1.160 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.196 -10.335 -3.406 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.766 -11.166 -2.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.632 -12.672 -3.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.174 -12.536 -1.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.559 -11.731 -1.965 1.00 0.00 H new ATOM 263 N VAL A 21 -6.946 -5.950 -0.709 1.00 0.00 N ATOM 264 CA VAL A 21 -7.186 -4.983 0.352 1.00 0.00 C ATOM 265 C VAL A 21 -8.634 -4.504 0.308 1.00 0.00 C ATOM 266 O VAL A 21 -9.064 -3.891 -0.670 1.00 0.00 O ATOM 267 CB VAL A 21 -6.231 -3.772 0.233 1.00 0.00 C ATOM 268 CG1 VAL A 21 -6.684 -2.618 1.122 1.00 0.00 C ATOM 269 CG2 VAL A 21 -4.807 -4.186 0.577 1.00 0.00 C ATOM 0 H VAL A 21 -7.195 -5.618 -1.641 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.996 -5.477 1.305 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.256 -3.424 -0.800 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.992 -1.783 1.015 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.684 -2.301 0.825 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.701 -2.945 2.162 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.146 -3.324 0.489 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.775 -4.565 1.599 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.479 -4.966 -0.110 1.00 0.00 H new ATOM 279 N ALA A 22 -9.387 -4.809 1.354 1.00 0.00 N ATOM 280 CA ALA A 22 -10.782 -4.407 1.431 1.00 0.00 C ATOM 281 C ALA A 22 -11.046 -3.595 2.692 1.00 0.00 C ATOM 282 O ALA A 22 -11.025 -4.122 3.804 1.00 0.00 O ATOM 283 CB ALA A 22 -11.688 -5.630 1.378 1.00 0.00 C ATOM 0 H ALA A 22 -9.054 -5.335 2.162 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.004 -3.773 0.572 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.730 -5.314 1.437 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.523 -6.165 0.443 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.461 -6.288 2.217 1.00 0.00 H new ATOM 289 N GLY A 23 -11.281 -2.307 2.515 1.00 0.00 N ATOM 290 CA GLY A 23 -11.554 -1.438 3.636 1.00 0.00 C ATOM 291 C GLY A 23 -13.012 -1.050 3.693 1.00 0.00 C ATOM 292 O GLY A 23 -13.561 -0.549 2.711 1.00 0.00 O ATOM 0 H GLY A 23 -11.287 -1.844 1.606 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.273 -1.939 4.563 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.940 -0.540 3.560 1.00 0.00 H new ATOM 296 N ALA A 24 -13.649 -1.304 4.823 1.00 0.00 N ATOM 297 CA ALA A 24 -15.052 -0.974 4.997 1.00 0.00 C ATOM 298 C ALA A 24 -15.237 -0.086 6.218 1.00 0.00 C ATOM 299 O ALA A 24 -14.453 -0.155 7.168 1.00 0.00 O ATOM 300 CB ALA A 24 -15.885 -2.240 5.121 1.00 0.00 C ATOM 0 H ALA A 24 -13.214 -1.740 5.636 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.393 -0.427 4.118 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -16.934 -1.974 5.251 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.772 -2.840 4.218 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.547 -2.815 5.983 1.00 0.00 H new ATOM 306 N GLY A 25 -16.276 0.730 6.201 1.00 0.00 N ATOM 307 CA GLY A 25 -16.523 1.630 7.310 1.00 0.00 C ATOM 308 C GLY A 25 -15.678 2.880 7.199 1.00 0.00 C ATOM 309 O GLY A 25 -15.262 3.461 8.204 1.00 0.00 O ATOM 0 H GLY A 25 -16.954 0.787 5.441 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.578 1.902 7.333 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.304 1.122 8.249 1.00 0.00 H new ATOM 313 N LEU A 26 -15.422 3.287 5.965 1.00 0.00 N ATOM 314 CA LEU A 26 -14.614 4.464 5.695 1.00 0.00 C ATOM 315 C LEU A 26 -15.484 5.557 5.092 1.00 0.00 C ATOM 316 O LEU A 26 -16.638 5.306 4.738 1.00 0.00 O ATOM 317 CB LEU A 26 -13.473 4.108 4.739 1.00 0.00 C ATOM 318 CG LEU A 26 -12.636 2.889 5.144 1.00 0.00 C ATOM 319 CD1 LEU A 26 -11.611 2.569 4.066 1.00 0.00 C ATOM 320 CD2 LEU A 26 -11.939 3.133 6.478 1.00 0.00 C ATOM 0 H LEU A 26 -15.766 2.814 5.129 1.00 0.00 H new ATOM 0 HA LEU A 26 -14.186 4.827 6.629 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.893 3.927 3.749 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.811 4.970 4.652 1.00 0.00 H new ATOM 0 HG LEU A 26 -13.306 2.036 5.256 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.024 1.701 4.368 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.124 2.352 3.129 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.949 3.424 3.928 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.351 2.256 6.747 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -11.282 3.998 6.392 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.686 3.319 7.250 1.00 0.00 H new ATOM 332 N GLN A 27 -14.945 6.764 4.982 1.00 0.00 N ATOM 333 CA GLN A 27 -15.694 7.879 4.413 1.00 0.00 C ATOM 334 C GLN A 27 -15.878 7.681 2.913 1.00 0.00 C ATOM 335 O GLN A 27 -14.905 7.455 2.186 1.00 0.00 O ATOM 336 CB GLN A 27 -14.978 9.206 4.677 1.00 0.00 C ATOM 337 CG GLN A 27 -15.913 10.404 4.686 1.00 0.00 C ATOM 338 CD GLN A 27 -16.796 10.434 5.919 1.00 0.00 C ATOM 339 OE1 GLN A 27 -16.388 9.997 6.995 1.00 0.00 O ATOM 340 NE2 GLN A 27 -18.009 10.945 5.774 1.00 0.00 N ATOM 0 H GLN A 27 -13.997 6.997 5.277 1.00 0.00 H new ATOM 0 HA GLN A 27 -16.672 7.910 4.892 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -14.464 9.148 5.636 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -14.214 9.356 3.914 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -15.326 11.321 4.640 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -16.539 10.381 3.794 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -18.309 11.297 4.865 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -18.643 10.987 6.572 1.00 0.00 H new ATOM 349 N ALA A 28 -17.123 7.769 2.462 1.00 0.00 N ATOM 350 CA ALA A 28 -17.453 7.590 1.052 1.00 0.00 C ATOM 351 C ALA A 28 -16.997 8.785 0.221 1.00 0.00 C ATOM 352 O ALA A 28 -16.896 9.902 0.728 1.00 0.00 O ATOM 353 CB ALA A 28 -18.953 7.378 0.885 1.00 0.00 C ATOM 0 H ALA A 28 -17.928 7.965 3.057 1.00 0.00 H new ATOM 0 HA ALA A 28 -16.924 6.707 0.693 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.186 7.246 -0.171 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -19.259 6.490 1.438 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -19.488 8.247 1.269 1.00 0.00 H new ATOM 359 N GLY A 29 -16.705 8.538 -1.052 1.00 0.00 N ATOM 360 CA GLY A 29 -16.270 9.603 -1.942 1.00 0.00 C ATOM 361 C GLY A 29 -14.769 9.825 -1.908 1.00 0.00 C ATOM 362 O GLY A 29 -14.166 10.205 -2.912 1.00 0.00 O ATOM 0 H GLY A 29 -16.762 7.617 -1.486 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.574 9.365 -2.961 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.775 10.529 -1.667 1.00 0.00 H new ATOM 366 N THR A 30 -14.169 9.601 -0.751 1.00 0.00 N ATOM 367 CA THR A 30 -12.735 9.770 -0.579 1.00 0.00 C ATOM 368 C THR A 30 -11.949 8.696 -1.328 1.00 0.00 C ATOM 369 O THR A 30 -12.386 7.547 -1.429 1.00 0.00 O ATOM 370 CB THR A 30 -12.363 9.711 0.914 1.00 0.00 C ATOM 371 OG1 THR A 30 -13.557 9.762 1.709 1.00 0.00 O ATOM 372 CG2 THR A 30 -11.452 10.866 1.295 1.00 0.00 C ATOM 0 H THR A 30 -14.658 9.299 0.091 1.00 0.00 H new ATOM 0 HA THR A 30 -12.474 10.745 -0.989 1.00 0.00 H new ATOM 0 HB THR A 30 -11.832 8.777 1.099 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.906 8.855 1.834 1.00 0.00 H new ATOM 0 HG21 THR A 30 -11.205 10.800 2.355 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.537 10.817 0.705 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.960 11.810 1.099 1.00 0.00 H new ATOM 380 N ALA A 31 -10.798 9.083 -1.863 1.00 0.00 N ATOM 381 CA ALA A 31 -9.933 8.157 -2.580 1.00 0.00 C ATOM 382 C ALA A 31 -8.872 7.610 -1.632 1.00 0.00 C ATOM 383 O ALA A 31 -8.353 8.342 -0.785 1.00 0.00 O ATOM 384 CB ALA A 31 -9.286 8.842 -3.774 1.00 0.00 C ATOM 0 H ALA A 31 -10.441 10.037 -1.813 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.534 7.328 -2.955 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.644 8.133 -4.296 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.061 9.198 -4.453 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.689 9.687 -3.430 1.00 0.00 H new ATOM 390 N TYR A 32 -8.560 6.329 -1.762 1.00 0.00 N ATOM 391 CA TYR A 32 -7.573 5.696 -0.901 1.00 0.00 C ATOM 392 C TYR A 32 -6.410 5.142 -1.711 1.00 0.00 C ATOM 393 O TYR A 32 -6.589 4.303 -2.594 1.00 0.00 O ATOM 394 CB TYR A 32 -8.236 4.592 -0.064 1.00 0.00 C ATOM 395 CG TYR A 32 -9.329 5.120 0.843 1.00 0.00 C ATOM 396 CD1 TYR A 32 -10.601 5.384 0.348 1.00 0.00 C ATOM 397 CD2 TYR A 32 -9.081 5.375 2.185 1.00 0.00 C ATOM 398 CE1 TYR A 32 -11.594 5.886 1.165 1.00 0.00 C ATOM 399 CE2 TYR A 32 -10.071 5.881 3.008 1.00 0.00 C ATOM 400 CZ TYR A 32 -11.325 6.135 2.492 1.00 0.00 C ATOM 401 OH TYR A 32 -12.312 6.649 3.302 1.00 0.00 O ATOM 0 H TYR A 32 -8.976 5.708 -2.456 1.00 0.00 H new ATOM 0 HA TYR A 32 -7.170 6.451 -0.226 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.656 3.839 -0.731 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.477 4.095 0.540 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.816 5.193 -0.693 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -8.101 5.175 2.592 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.578 6.083 0.765 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -9.863 6.076 4.050 1.00 0.00 H new ATOM 0 HH TYR A 32 -13.112 6.832 2.767 1.00 0.00 H new ATOM 411 N ASP A 33 -5.221 5.630 -1.400 1.00 0.00 N ATOM 412 CA ASP A 33 -4.007 5.212 -2.084 1.00 0.00 C ATOM 413 C ASP A 33 -3.387 4.023 -1.363 1.00 0.00 C ATOM 414 O ASP A 33 -2.835 4.161 -0.271 1.00 0.00 O ATOM 415 CB ASP A 33 -3.007 6.373 -2.145 1.00 0.00 C ATOM 416 CG ASP A 33 -2.860 6.963 -3.534 1.00 0.00 C ATOM 417 OD1 ASP A 33 -3.852 6.993 -4.288 1.00 0.00 O ATOM 418 OD2 ASP A 33 -1.748 7.422 -3.875 1.00 0.00 O ATOM 0 H ASP A 33 -5.069 6.325 -0.669 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.260 4.915 -3.102 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.327 7.156 -1.457 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.033 6.024 -1.801 1.00 0.00 H new ATOM 423 N VAL A 34 -3.495 2.852 -1.965 1.00 0.00 N ATOM 424 CA VAL A 34 -2.953 1.642 -1.373 1.00 0.00 C ATOM 425 C VAL A 34 -1.927 1.003 -2.297 1.00 0.00 C ATOM 426 O VAL A 34 -2.245 0.645 -3.431 1.00 0.00 O ATOM 427 CB VAL A 34 -4.061 0.611 -1.069 1.00 0.00 C ATOM 428 CG1 VAL A 34 -3.497 -0.564 -0.286 1.00 0.00 C ATOM 429 CG2 VAL A 34 -5.217 1.256 -0.314 1.00 0.00 C ATOM 0 H VAL A 34 -3.954 2.713 -2.865 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.476 1.933 -0.437 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.446 0.239 -2.019 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.293 -1.280 -0.081 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.714 -1.048 -0.870 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.079 -0.207 0.655 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.983 0.507 -0.113 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.853 1.665 0.629 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.643 2.058 -0.917 1.00 0.00 H new ATOM 439 N GLY A 35 -0.694 0.874 -1.824 1.00 0.00 N ATOM 440 CA GLY A 35 0.333 0.261 -2.634 1.00 0.00 C ATOM 441 C GLY A 35 1.319 -0.527 -1.805 1.00 0.00 C ATOM 442 O GLY A 35 1.233 -0.547 -0.578 1.00 0.00 O ATOM 0 H GLY A 35 -0.391 1.182 -0.900 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.131 -0.398 -3.368 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.864 1.034 -3.190 1.00 0.00 H new ATOM 446 N GLN A 36 2.241 -1.200 -2.477 1.00 0.00 N ATOM 447 CA GLN A 36 3.263 -1.973 -1.791 1.00 0.00 C ATOM 448 C GLN A 36 4.382 -1.037 -1.367 1.00 0.00 C ATOM 449 O GLN A 36 4.898 -0.263 -2.175 1.00 0.00 O ATOM 450 CB GLN A 36 3.807 -3.089 -2.690 1.00 0.00 C ATOM 451 CG GLN A 36 4.418 -2.586 -3.990 1.00 0.00 C ATOM 452 CD GLN A 36 5.403 -3.560 -4.605 1.00 0.00 C ATOM 453 OE1 GLN A 36 5.519 -3.650 -5.821 1.00 0.00 O ATOM 454 NE2 GLN A 36 6.131 -4.286 -3.768 1.00 0.00 N ATOM 0 H GLN A 36 2.302 -1.226 -3.495 1.00 0.00 H new ATOM 0 HA GLN A 36 2.825 -2.446 -0.912 1.00 0.00 H new ATOM 0 HB2 GLN A 36 4.560 -3.652 -2.139 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.998 -3.782 -2.923 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.620 -2.387 -4.705 1.00 0.00 H new ATOM 0 HG3 GLN A 36 4.923 -1.638 -3.803 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.005 -4.183 -2.761 1.00 0.00 H new ATOM 0 HE22 GLN A 36 6.817 -4.948 -4.131 1.00 0.00 H new ATOM 463 N CYS A 37 4.743 -1.091 -0.102 1.00 0.00 N ATOM 464 CA CYS A 37 5.780 -0.223 0.421 1.00 0.00 C ATOM 465 C CYS A 37 6.779 -1.011 1.254 1.00 0.00 C ATOM 466 O CYS A 37 6.586 -2.199 1.507 1.00 0.00 O ATOM 467 CB CYS A 37 5.144 0.887 1.260 1.00 0.00 C ATOM 468 SG CYS A 37 3.431 1.290 0.778 1.00 0.00 S ATOM 0 H CYS A 37 4.335 -1.726 0.584 1.00 0.00 H new ATOM 0 HA CYS A 37 6.319 0.222 -0.415 1.00 0.00 H new ATOM 0 HB2 CYS A 37 5.155 0.588 2.308 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.755 1.786 1.178 1.00 0.00 H new ATOM 473 N ALA A 38 7.855 -0.347 1.652 1.00 0.00 N ATOM 474 CA ALA A 38 8.891 -0.963 2.467 1.00 0.00 C ATOM 475 C ALA A 38 9.815 0.107 3.030 1.00 0.00 C ATOM 476 O ALA A 38 9.713 1.279 2.655 1.00 0.00 O ATOM 477 CB ALA A 38 9.685 -1.972 1.649 1.00 0.00 C ATOM 0 H ALA A 38 8.034 0.630 1.420 1.00 0.00 H new ATOM 0 HA ALA A 38 8.417 -1.491 3.295 1.00 0.00 H new ATOM 0 HB1 ALA A 38 10.455 -2.422 2.275 1.00 0.00 H new ATOM 0 HB2 ALA A 38 9.016 -2.750 1.281 1.00 0.00 H new ATOM 0 HB3 ALA A 38 10.154 -1.467 0.804 1.00 0.00 H new ATOM 483 N TRP A 39 10.700 -0.296 3.931 1.00 0.00 N ATOM 484 CA TRP A 39 11.654 0.624 4.534 1.00 0.00 C ATOM 485 C TRP A 39 12.748 0.951 3.532 1.00 0.00 C ATOM 486 O TRP A 39 13.557 0.090 3.183 1.00 0.00 O ATOM 487 CB TRP A 39 12.266 0.009 5.795 1.00 0.00 C ATOM 488 CG TRP A 39 12.099 0.857 7.016 1.00 0.00 C ATOM 489 CD1 TRP A 39 10.941 1.407 7.483 1.00 0.00 C ATOM 490 CD2 TRP A 39 13.124 1.235 7.943 1.00 0.00 C ATOM 491 NE1 TRP A 39 11.182 2.108 8.639 1.00 0.00 N ATOM 492 CE2 TRP A 39 12.517 2.018 8.941 1.00 0.00 C ATOM 493 CE3 TRP A 39 14.499 0.990 8.022 1.00 0.00 C ATOM 494 CZ2 TRP A 39 13.234 2.554 10.006 1.00 0.00 C ATOM 495 CZ3 TRP A 39 15.210 1.522 9.081 1.00 0.00 C ATOM 496 CH2 TRP A 39 14.577 2.297 10.060 1.00 0.00 C ATOM 0 H TRP A 39 10.777 -1.258 4.261 1.00 0.00 H new ATOM 0 HA TRP A 39 11.134 1.540 4.814 1.00 0.00 H new ATOM 0 HB2 TRP A 39 11.809 -0.964 5.973 1.00 0.00 H new ATOM 0 HB3 TRP A 39 13.329 -0.164 5.626 1.00 0.00 H new ATOM 0 HD1 TRP A 39 9.975 1.306 7.012 1.00 0.00 H new ATOM 0 HE1 TRP A 39 10.483 2.613 9.184 1.00 0.00 H new ATOM 0 HE3 TRP A 39 14.996 0.396 7.269 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 12.748 3.152 10.763 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 16.271 1.337 9.154 1.00 0.00 H new ATOM 0 HH2 TRP A 39 15.160 2.700 10.874 1.00 0.00 H new ATOM 507 N VAL A 40 12.762 2.185 3.057 1.00 0.00 N ATOM 508 CA VAL A 40 13.752 2.602 2.078 1.00 0.00 C ATOM 509 C VAL A 40 14.879 3.392 2.743 1.00 0.00 C ATOM 510 O VAL A 40 16.018 3.391 2.270 1.00 0.00 O ATOM 511 CB VAL A 40 13.104 3.427 0.939 1.00 0.00 C ATOM 512 CG1 VAL A 40 12.537 4.740 1.459 1.00 0.00 C ATOM 513 CG2 VAL A 40 14.097 3.672 -0.188 1.00 0.00 C ATOM 0 H VAL A 40 12.102 2.913 3.332 1.00 0.00 H new ATOM 0 HA VAL A 40 14.180 1.701 1.637 1.00 0.00 H new ATOM 0 HB VAL A 40 12.275 2.844 0.539 1.00 0.00 H new ATOM 0 HG11 VAL A 40 12.090 5.295 0.634 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.777 4.535 2.213 1.00 0.00 H new ATOM 0 HG13 VAL A 40 13.338 5.332 1.902 1.00 0.00 H new ATOM 0 HG21 VAL A 40 13.617 4.253 -0.975 1.00 0.00 H new ATOM 0 HG22 VAL A 40 14.956 4.222 0.197 1.00 0.00 H new ATOM 0 HG23 VAL A 40 14.430 2.717 -0.594 1.00 0.00 H new ATOM 523 N ASP A 41 14.566 4.043 3.858 1.00 0.00 N ATOM 524 CA ASP A 41 15.558 4.828 4.580 1.00 0.00 C ATOM 525 C ASP A 41 15.232 4.847 6.066 1.00 0.00 C ATOM 526 O ASP A 41 14.209 4.304 6.490 1.00 0.00 O ATOM 527 CB ASP A 41 15.611 6.262 4.042 1.00 0.00 C ATOM 528 CG ASP A 41 17.020 6.819 3.997 1.00 0.00 C ATOM 529 OD1 ASP A 41 17.742 6.713 5.012 1.00 0.00 O ATOM 530 OD2 ASP A 41 17.413 7.363 2.944 1.00 0.00 O ATOM 0 H ASP A 41 13.637 4.042 4.279 1.00 0.00 H new ATOM 0 HA ASP A 41 16.533 4.364 4.433 1.00 0.00 H new ATOM 0 HB2 ASP A 41 15.183 6.286 3.040 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.991 6.904 4.668 1.00 0.00 H new ATOM 535 N THR A 42 16.097 5.477 6.845 1.00 0.00 N ATOM 536 CA THR A 42 15.916 5.577 8.285 1.00 0.00 C ATOM 537 C THR A 42 14.658 6.370 8.624 1.00 0.00 C ATOM 538 O THR A 42 14.640 7.596 8.530 1.00 0.00 O ATOM 539 CB THR A 42 17.138 6.245 8.936 1.00 0.00 C ATOM 540 OG1 THR A 42 18.340 5.687 8.383 1.00 0.00 O ATOM 541 CG2 THR A 42 17.126 6.049 10.444 1.00 0.00 C ATOM 0 H THR A 42 16.942 5.932 6.499 1.00 0.00 H new ATOM 0 HA THR A 42 15.808 4.566 8.678 1.00 0.00 H new ATOM 0 HB THR A 42 17.099 7.315 8.730 1.00 0.00 H new ATOM 0 HG1 THR A 42 19.119 6.114 8.797 1.00 0.00 H new ATOM 0 HG21 THR A 42 18.001 6.531 10.881 1.00 0.00 H new ATOM 0 HG22 THR A 42 16.222 6.492 10.861 1.00 0.00 H new ATOM 0 HG23 THR A 42 17.147 4.983 10.673 1.00 0.00 H new ATOM 549 N GLY A 43 13.600 5.657 8.990 1.00 0.00 N ATOM 550 CA GLY A 43 12.352 6.303 9.334 1.00 0.00 C ATOM 551 C GLY A 43 11.610 6.787 8.108 1.00 0.00 C ATOM 552 O GLY A 43 10.739 7.653 8.198 1.00 0.00 O ATOM 0 H GLY A 43 13.586 4.639 9.054 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.723 5.606 9.887 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.550 7.147 9.995 1.00 0.00 H new ATOM 556 N VAL A 44 11.963 6.235 6.956 1.00 0.00 N ATOM 557 CA VAL A 44 11.330 6.614 5.705 1.00 0.00 C ATOM 558 C VAL A 44 10.886 5.382 4.933 1.00 0.00 C ATOM 559 O VAL A 44 11.681 4.478 4.662 1.00 0.00 O ATOM 560 CB VAL A 44 12.268 7.452 4.808 1.00 0.00 C ATOM 561 CG1 VAL A 44 11.532 7.926 3.564 1.00 0.00 C ATOM 562 CG2 VAL A 44 12.842 8.637 5.570 1.00 0.00 C ATOM 0 H VAL A 44 12.686 5.522 6.864 1.00 0.00 H new ATOM 0 HA VAL A 44 10.465 7.223 5.967 1.00 0.00 H new ATOM 0 HB VAL A 44 13.098 6.815 4.501 1.00 0.00 H new ATOM 0 HG11 VAL A 44 12.208 8.515 2.944 1.00 0.00 H new ATOM 0 HG12 VAL A 44 11.180 7.063 2.999 1.00 0.00 H new ATOM 0 HG13 VAL A 44 10.681 8.540 3.857 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.498 9.208 4.914 1.00 0.00 H new ATOM 0 HG22 VAL A 44 12.029 9.276 5.916 1.00 0.00 H new ATOM 0 HG23 VAL A 44 13.411 8.277 6.428 1.00 0.00 H new ATOM 572 N LEU A 45 9.612 5.348 4.594 1.00 0.00 N ATOM 573 CA LEU A 45 9.046 4.251 3.838 1.00 0.00 C ATOM 574 C LEU A 45 8.600 4.779 2.487 1.00 0.00 C ATOM 575 O LEU A 45 8.410 5.983 2.331 1.00 0.00 O ATOM 576 CB LEU A 45 7.866 3.628 4.594 1.00 0.00 C ATOM 577 CG LEU A 45 8.162 3.217 6.040 1.00 0.00 C ATOM 578 CD1 LEU A 45 7.794 4.335 7.004 1.00 0.00 C ATOM 579 CD2 LEU A 45 7.415 1.944 6.396 1.00 0.00 C ATOM 0 H LEU A 45 8.943 6.079 4.835 1.00 0.00 H new ATOM 0 HA LEU A 45 9.795 3.472 3.699 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.041 4.340 4.597 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.527 2.749 4.045 1.00 0.00 H new ATOM 0 HG LEU A 45 9.232 3.027 6.127 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.012 4.022 8.025 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.374 5.226 6.766 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.731 4.559 6.913 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.638 1.668 7.427 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.343 2.109 6.288 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.727 1.140 5.729 1.00 0.00 H new ATOM 591 N ALA A 46 8.453 3.904 1.510 1.00 0.00 N ATOM 592 CA ALA A 46 8.040 4.331 0.183 1.00 0.00 C ATOM 593 C ALA A 46 7.268 3.235 -0.535 1.00 0.00 C ATOM 594 O ALA A 46 7.589 2.055 -0.395 1.00 0.00 O ATOM 595 CB ALA A 46 9.256 4.751 -0.621 1.00 0.00 C ATOM 0 H ALA A 46 8.611 2.901 1.607 1.00 0.00 H new ATOM 0 HA ALA A 46 7.371 5.185 0.287 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.942 5.070 -1.615 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.759 5.576 -0.116 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.942 3.909 -0.710 1.00 0.00 H new ATOM 601 N CYS A 47 6.253 3.626 -1.297 1.00 0.00 N ATOM 602 CA CYS A 47 5.427 2.669 -2.028 1.00 0.00 C ATOM 603 C CYS A 47 5.671 2.763 -3.526 1.00 0.00 C ATOM 604 O CYS A 47 6.236 3.740 -4.012 1.00 0.00 O ATOM 605 CB CYS A 47 3.944 2.913 -1.749 1.00 0.00 C ATOM 606 SG CYS A 47 3.540 3.164 0.007 1.00 0.00 S ATOM 0 H CYS A 47 5.981 4.601 -1.426 1.00 0.00 H new ATOM 0 HA CYS A 47 5.704 1.672 -1.685 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.620 3.788 -2.312 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.372 2.064 -2.123 1.00 0.00 H new ATOM 611 N ASN A 48 5.244 1.740 -4.253 1.00 0.00 N ATOM 612 CA ASN A 48 5.402 1.712 -5.699 1.00 0.00 C ATOM 613 C ASN A 48 4.191 2.327 -6.389 1.00 0.00 C ATOM 614 O ASN A 48 3.062 1.895 -6.168 1.00 0.00 O ATOM 615 CB ASN A 48 5.595 0.282 -6.188 1.00 0.00 C ATOM 616 CG ASN A 48 5.920 0.230 -7.663 1.00 0.00 C ATOM 617 OD1 ASN A 48 5.105 -0.204 -8.477 1.00 0.00 O ATOM 618 ND2 ASN A 48 7.102 0.707 -8.018 1.00 0.00 N ATOM 0 H ASN A 48 4.784 0.917 -3.863 1.00 0.00 H new ATOM 0 HA ASN A 48 6.286 2.299 -5.949 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.398 -0.190 -5.622 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.689 -0.293 -5.995 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.370 0.725 -9.002 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.745 1.056 -7.308 1.00 0.00 H new ATOM 625 N PRO A 49 4.409 3.341 -7.239 1.00 0.00 N ATOM 626 CA PRO A 49 3.337 4.021 -7.958 1.00 0.00 C ATOM 627 C PRO A 49 3.035 3.418 -9.331 1.00 0.00 C ATOM 628 O PRO A 49 2.386 4.052 -10.164 1.00 0.00 O ATOM 629 CB PRO A 49 3.908 5.422 -8.117 1.00 0.00 C ATOM 630 CG PRO A 49 5.373 5.206 -8.300 1.00 0.00 C ATOM 631 CD PRO A 49 5.723 3.943 -7.542 1.00 0.00 C ATOM 0 HA PRO A 49 2.387 3.958 -7.428 1.00 0.00 H new ATOM 0 HB2 PRO A 49 3.472 5.934 -8.974 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.703 6.037 -7.240 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.620 5.105 -9.357 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.940 6.056 -7.920 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.341 3.275 -8.141 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.282 4.164 -6.632 1.00 0.00 H new ATOM 639 N ALA A 50 3.491 2.198 -9.565 1.00 0.00 N ATOM 640 CA ALA A 50 3.263 1.544 -10.846 1.00 0.00 C ATOM 641 C ALA A 50 2.299 0.368 -10.714 1.00 0.00 C ATOM 642 O ALA A 50 1.307 0.283 -11.439 1.00 0.00 O ATOM 643 CB ALA A 50 4.583 1.081 -11.439 1.00 0.00 C ATOM 0 H ALA A 50 4.018 1.643 -8.891 1.00 0.00 H new ATOM 0 HA ALA A 50 2.805 2.272 -11.516 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.401 0.593 -12.397 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.236 1.941 -11.588 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.060 0.376 -10.758 1.00 0.00 H new ATOM 649 N ASP A 51 2.586 -0.534 -9.785 1.00 0.00 N ATOM 650 CA ASP A 51 1.750 -1.714 -9.584 1.00 0.00 C ATOM 651 C ASP A 51 0.792 -1.545 -8.407 1.00 0.00 C ATOM 652 O ASP A 51 0.449 -2.512 -7.725 1.00 0.00 O ATOM 653 CB ASP A 51 2.625 -2.949 -9.373 1.00 0.00 C ATOM 654 CG ASP A 51 3.053 -3.584 -10.681 1.00 0.00 C ATOM 655 OD1 ASP A 51 2.191 -4.132 -11.403 1.00 0.00 O ATOM 656 OD2 ASP A 51 4.261 -3.549 -10.991 1.00 0.00 O ATOM 0 H ASP A 51 3.389 -0.473 -9.159 1.00 0.00 H new ATOM 0 HA ASP A 51 1.147 -1.843 -10.483 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.510 -2.671 -8.801 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.078 -3.681 -8.779 1.00 0.00 H new ATOM 661 N PHE A 52 0.355 -0.317 -8.175 1.00 0.00 N ATOM 662 CA PHE A 52 -0.581 -0.033 -7.096 1.00 0.00 C ATOM 663 C PHE A 52 -1.873 0.517 -7.685 1.00 0.00 C ATOM 664 O PHE A 52 -1.920 0.838 -8.872 1.00 0.00 O ATOM 665 CB PHE A 52 0.031 0.941 -6.078 1.00 0.00 C ATOM 666 CG PHE A 52 -0.281 2.399 -6.313 1.00 0.00 C ATOM 667 CD1 PHE A 52 0.151 3.044 -7.460 1.00 0.00 C ATOM 668 CD2 PHE A 52 -1.000 3.121 -5.373 1.00 0.00 C ATOM 669 CE1 PHE A 52 -0.130 4.381 -7.667 1.00 0.00 C ATOM 670 CE2 PHE A 52 -1.282 4.459 -5.574 1.00 0.00 C ATOM 671 CZ PHE A 52 -0.845 5.089 -6.724 1.00 0.00 C ATOM 0 H PHE A 52 0.633 0.500 -8.719 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.803 -0.956 -6.560 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.319 0.667 -5.082 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.113 0.813 -6.082 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.714 2.496 -8.201 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.344 2.632 -4.473 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.210 4.871 -8.567 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.843 5.011 -4.834 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.063 6.135 -6.884 1.00 0.00 H new ATOM 681 N SER A 53 -2.911 0.633 -6.872 1.00 0.00 N ATOM 682 CA SER A 53 -4.185 1.133 -7.361 1.00 0.00 C ATOM 683 C SER A 53 -4.846 2.056 -6.340 1.00 0.00 C ATOM 684 O SER A 53 -4.878 1.755 -5.144 1.00 0.00 O ATOM 685 CB SER A 53 -5.114 -0.037 -7.688 1.00 0.00 C ATOM 686 OG SER A 53 -4.462 -1.003 -8.502 1.00 0.00 O ATOM 0 H SER A 53 -2.897 0.391 -5.881 1.00 0.00 H new ATOM 0 HA SER A 53 -3.998 1.710 -8.266 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.451 -0.506 -6.763 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.002 0.333 -8.200 1.00 0.00 H new ATOM 0 HG SER A 53 -5.079 -1.740 -8.694 1.00 0.00 H new ATOM 692 N SER A 54 -5.358 3.180 -6.821 1.00 0.00 N ATOM 693 CA SER A 54 -6.033 4.146 -5.977 1.00 0.00 C ATOM 694 C SER A 54 -7.533 3.895 -6.016 1.00 0.00 C ATOM 695 O SER A 54 -8.234 4.391 -6.901 1.00 0.00 O ATOM 696 CB SER A 54 -5.725 5.562 -6.456 1.00 0.00 C ATOM 697 OG SER A 54 -4.323 5.764 -6.579 1.00 0.00 O ATOM 0 H SER A 54 -5.316 3.444 -7.805 1.00 0.00 H new ATOM 0 HA SER A 54 -5.679 4.039 -4.952 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.207 5.737 -7.418 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.140 6.286 -5.754 1.00 0.00 H new ATOM 0 HG SER A 54 -3.951 6.015 -5.708 1.00 0.00 H new ATOM 703 N VAL A 55 -8.020 3.112 -5.069 1.00 0.00 N ATOM 704 CA VAL A 55 -9.434 2.782 -5.015 1.00 0.00 C ATOM 705 C VAL A 55 -10.218 3.844 -4.246 1.00 0.00 C ATOM 706 O VAL A 55 -9.736 4.404 -3.264 1.00 0.00 O ATOM 707 CB VAL A 55 -9.667 1.382 -4.390 1.00 0.00 C ATOM 708 CG1 VAL A 55 -9.285 1.360 -2.915 1.00 0.00 C ATOM 709 CG2 VAL A 55 -11.111 0.930 -4.593 1.00 0.00 C ATOM 0 H VAL A 55 -7.458 2.693 -4.328 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.800 2.759 -6.042 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.017 0.675 -4.905 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.461 0.364 -2.508 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.231 1.615 -2.808 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.890 2.086 -2.372 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -11.250 -0.054 -4.146 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.785 1.643 -4.118 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.330 0.879 -5.660 1.00 0.00 H new ATOM 719 N THR A 56 -11.414 4.139 -4.721 1.00 0.00 N ATOM 720 CA THR A 56 -12.269 5.120 -4.080 1.00 0.00 C ATOM 721 C THR A 56 -13.388 4.418 -3.312 1.00 0.00 C ATOM 722 O THR A 56 -13.779 3.297 -3.655 1.00 0.00 O ATOM 723 CB THR A 56 -12.854 6.105 -5.120 1.00 0.00 C ATOM 724 OG1 THR A 56 -13.669 7.088 -4.478 1.00 0.00 O ATOM 725 CG2 THR A 56 -13.669 5.379 -6.178 1.00 0.00 C ATOM 0 H THR A 56 -11.817 3.710 -5.554 1.00 0.00 H new ATOM 0 HA THR A 56 -11.669 5.695 -3.375 1.00 0.00 H new ATOM 0 HB THR A 56 -12.014 6.597 -5.611 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.339 7.243 -3.568 1.00 0.00 H new ATOM 0 HG21 THR A 56 -14.065 6.102 -6.892 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.033 4.664 -6.700 1.00 0.00 H new ATOM 0 HG23 THR A 56 -14.495 4.850 -5.702 1.00 0.00 H new ATOM 733 N ALA A 57 -13.883 5.061 -2.265 1.00 0.00 N ATOM 734 CA ALA A 57 -14.948 4.486 -1.454 1.00 0.00 C ATOM 735 C ALA A 57 -16.301 4.662 -2.127 1.00 0.00 C ATOM 736 O ALA A 57 -16.642 5.755 -2.596 1.00 0.00 O ATOM 737 CB ALA A 57 -14.952 5.099 -0.061 1.00 0.00 C ATOM 0 H ALA A 57 -13.565 5.980 -1.957 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.760 3.417 -1.356 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.755 4.656 0.529 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.995 4.905 0.424 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.109 6.175 -0.137 1.00 0.00 H new ATOM 743 N ASP A 58 -17.069 3.580 -2.169 1.00 0.00 N ATOM 744 CA ASP A 58 -18.385 3.592 -2.796 1.00 0.00 C ATOM 745 C ASP A 58 -19.433 4.201 -1.869 1.00 0.00 C ATOM 746 O ASP A 58 -19.119 4.622 -0.756 1.00 0.00 O ATOM 747 CB ASP A 58 -18.792 2.173 -3.211 1.00 0.00 C ATOM 748 CG ASP A 58 -19.337 1.336 -2.068 1.00 0.00 C ATOM 749 OD1 ASP A 58 -18.741 1.343 -0.970 1.00 0.00 O ATOM 750 OD2 ASP A 58 -20.363 0.656 -2.268 1.00 0.00 O ATOM 0 H ASP A 58 -16.801 2.679 -1.774 1.00 0.00 H new ATOM 0 HA ASP A 58 -18.327 4.214 -3.689 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.546 2.236 -3.996 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -17.927 1.667 -3.640 1.00 0.00 H new ATOM 755 N ALA A 59 -20.680 4.219 -2.327 1.00 0.00 N ATOM 756 CA ALA A 59 -21.785 4.794 -1.562 1.00 0.00 C ATOM 757 C ALA A 59 -22.073 4.024 -0.274 1.00 0.00 C ATOM 758 O ALA A 59 -22.840 4.489 0.569 1.00 0.00 O ATOM 759 CB ALA A 59 -23.039 4.864 -2.419 1.00 0.00 C ATOM 0 H ALA A 59 -20.954 3.839 -3.233 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.481 5.800 -1.274 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.854 5.294 -1.837 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -22.848 5.488 -3.292 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.315 3.860 -2.743 1.00 0.00 H new ATOM 765 N ASN A 60 -21.474 2.848 -0.123 1.00 0.00 N ATOM 766 CA ASN A 60 -21.673 2.042 1.079 1.00 0.00 C ATOM 767 C ASN A 60 -20.537 2.275 2.071 1.00 0.00 C ATOM 768 O ASN A 60 -20.513 1.686 3.156 1.00 0.00 O ATOM 769 CB ASN A 60 -21.758 0.553 0.731 1.00 0.00 C ATOM 770 CG ASN A 60 -22.986 0.210 -0.091 1.00 0.00 C ATOM 771 OD1 ASN A 60 -24.070 -0.020 0.450 1.00 0.00 O ATOM 772 ND2 ASN A 60 -22.822 0.163 -1.404 1.00 0.00 N ATOM 0 H ASN A 60 -20.849 2.432 -0.814 1.00 0.00 H new ATOM 0 HA ASN A 60 -22.614 2.348 1.535 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -20.864 0.262 0.179 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -21.768 -0.030 1.652 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -23.610 -0.070 -2.008 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -21.908 0.360 -1.811 1.00 0.00 H new ATOM 779 N GLY A 61 -19.600 3.135 1.691 1.00 0.00 N ATOM 780 CA GLY A 61 -18.470 3.441 2.549 1.00 0.00 C ATOM 781 C GLY A 61 -17.449 2.324 2.577 1.00 0.00 C ATOM 782 O GLY A 61 -16.783 2.101 3.592 1.00 0.00 O ATOM 0 H GLY A 61 -19.603 3.629 0.799 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.992 4.358 2.203 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.826 3.629 3.562 1.00 0.00 H new ATOM 786 N SER A 62 -17.320 1.621 1.462 1.00 0.00 N ATOM 787 CA SER A 62 -16.381 0.516 1.365 1.00 0.00 C ATOM 788 C SER A 62 -15.526 0.631 0.105 1.00 0.00 C ATOM 789 O SER A 62 -15.912 1.296 -0.859 1.00 0.00 O ATOM 790 CB SER A 62 -17.141 -0.813 1.375 1.00 0.00 C ATOM 791 OG SER A 62 -18.449 -0.664 0.836 1.00 0.00 O ATOM 0 H SER A 62 -17.855 1.797 0.611 1.00 0.00 H new ATOM 0 HA SER A 62 -15.714 0.553 2.226 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.589 -1.554 0.797 1.00 0.00 H new ATOM 0 HB3 SER A 62 -17.207 -1.189 2.396 1.00 0.00 H new ATOM 0 HG SER A 62 -18.447 0.050 0.164 1.00 0.00 H new ATOM 797 N ALA A 63 -14.364 -0.005 0.122 1.00 0.00 N ATOM 798 CA ALA A 63 -13.455 0.016 -1.010 1.00 0.00 C ATOM 799 C ALA A 63 -12.583 -1.230 -1.017 1.00 0.00 C ATOM 800 O ALA A 63 -11.953 -1.556 -0.014 1.00 0.00 O ATOM 801 CB ALA A 63 -12.585 1.261 -0.961 1.00 0.00 C ATOM 0 H ALA A 63 -14.027 -0.547 0.918 1.00 0.00 H new ATOM 0 HA ALA A 63 -14.045 0.032 -1.926 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.908 1.265 -1.815 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -13.217 2.148 -0.995 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -12.005 1.264 -0.038 1.00 0.00 H new ATOM 807 N SER A 64 -12.562 -1.929 -2.136 1.00 0.00 N ATOM 808 CA SER A 64 -11.757 -3.134 -2.264 1.00 0.00 C ATOM 809 C SER A 64 -10.850 -3.023 -3.484 1.00 0.00 C ATOM 810 O SER A 64 -11.269 -2.538 -4.534 1.00 0.00 O ATOM 811 CB SER A 64 -12.658 -4.366 -2.370 1.00 0.00 C ATOM 812 OG SER A 64 -13.658 -4.349 -1.364 1.00 0.00 O ATOM 0 H SER A 64 -13.093 -1.685 -2.972 1.00 0.00 H new ATOM 0 HA SER A 64 -11.135 -3.243 -1.376 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.126 -4.396 -3.354 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.057 -5.270 -2.276 1.00 0.00 H new ATOM 0 HG SER A 64 -14.224 -5.145 -1.451 1.00 0.00 H new ATOM 818 N THR A 65 -9.606 -3.452 -3.337 1.00 0.00 N ATOM 819 CA THR A 65 -8.649 -3.381 -4.427 1.00 0.00 C ATOM 820 C THR A 65 -7.602 -4.486 -4.309 1.00 0.00 C ATOM 821 O THR A 65 -7.463 -5.119 -3.259 1.00 0.00 O ATOM 822 CB THR A 65 -7.950 -1.999 -4.450 1.00 0.00 C ATOM 823 OG1 THR A 65 -7.175 -1.850 -5.646 1.00 0.00 O ATOM 824 CG2 THR A 65 -7.050 -1.810 -3.232 1.00 0.00 C ATOM 0 H THR A 65 -9.237 -3.852 -2.474 1.00 0.00 H new ATOM 0 HA THR A 65 -9.197 -3.518 -5.359 1.00 0.00 H new ATOM 0 HB THR A 65 -8.729 -1.237 -4.425 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.504 -1.080 -6.155 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.575 -0.830 -3.279 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.648 -1.880 -2.323 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.283 -2.585 -3.222 1.00 0.00 H new ATOM 832 N SER A 66 -6.886 -4.717 -5.400 1.00 0.00 N ATOM 833 CA SER A 66 -5.839 -5.718 -5.444 1.00 0.00 C ATOM 834 C SER A 66 -4.551 -5.085 -5.959 1.00 0.00 C ATOM 835 O SER A 66 -4.545 -4.441 -7.012 1.00 0.00 O ATOM 836 CB SER A 66 -6.261 -6.877 -6.344 1.00 0.00 C ATOM 837 OG SER A 66 -7.375 -7.573 -5.802 1.00 0.00 O ATOM 0 H SER A 66 -7.017 -4.214 -6.278 1.00 0.00 H new ATOM 0 HA SER A 66 -5.666 -6.106 -4.440 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.513 -6.498 -7.334 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.425 -7.566 -6.470 1.00 0.00 H new ATOM 0 HG SER A 66 -7.624 -8.308 -6.400 1.00 0.00 H new ATOM 843 N LEU A 67 -3.471 -5.248 -5.207 1.00 0.00 N ATOM 844 CA LEU A 67 -2.181 -4.677 -5.582 1.00 0.00 C ATOM 845 C LEU A 67 -1.192 -5.780 -5.951 1.00 0.00 C ATOM 846 O LEU A 67 -1.233 -6.873 -5.390 1.00 0.00 O ATOM 847 CB LEU A 67 -1.588 -3.840 -4.433 1.00 0.00 C ATOM 848 CG LEU A 67 -2.512 -2.795 -3.778 1.00 0.00 C ATOM 849 CD1 LEU A 67 -3.389 -2.090 -4.808 1.00 0.00 C ATOM 850 CD2 LEU A 67 -3.354 -3.437 -2.685 1.00 0.00 C ATOM 0 H LEU A 67 -3.461 -5.772 -4.332 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.350 -4.031 -6.444 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.247 -4.525 -3.656 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.706 -3.323 -4.811 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.880 -2.033 -3.322 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.026 -1.361 -4.306 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.758 -1.580 -5.536 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.011 -2.824 -5.319 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.000 -2.684 -2.234 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.966 -4.230 -3.115 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.700 -3.858 -1.922 1.00 0.00 H new ATOM 862 N THR A 68 -0.309 -5.497 -6.893 1.00 0.00 N ATOM 863 CA THR A 68 0.697 -6.462 -7.305 1.00 0.00 C ATOM 864 C THR A 68 2.004 -6.187 -6.560 1.00 0.00 C ATOM 865 O THR A 68 2.661 -5.177 -6.797 1.00 0.00 O ATOM 866 CB THR A 68 0.931 -6.400 -8.825 1.00 0.00 C ATOM 867 OG1 THR A 68 -0.325 -6.246 -9.509 1.00 0.00 O ATOM 868 CG2 THR A 68 1.622 -7.662 -9.311 1.00 0.00 C ATOM 0 H THR A 68 -0.268 -4.606 -7.388 1.00 0.00 H new ATOM 0 HA THR A 68 0.341 -7.463 -7.059 1.00 0.00 H new ATOM 0 HB THR A 68 1.570 -5.544 -9.040 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.168 -6.206 -10.476 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.779 -7.599 -10.388 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.584 -7.766 -8.810 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.000 -8.528 -9.085 1.00 0.00 H new ATOM 876 N VAL A 69 2.373 -7.077 -5.645 1.00 0.00 N ATOM 877 CA VAL A 69 3.589 -6.884 -4.863 1.00 0.00 C ATOM 878 C VAL A 69 4.830 -7.391 -5.607 1.00 0.00 C ATOM 879 O VAL A 69 5.002 -8.592 -5.828 1.00 0.00 O ATOM 880 CB VAL A 69 3.489 -7.546 -3.457 1.00 0.00 C ATOM 881 CG1 VAL A 69 3.203 -9.042 -3.552 1.00 0.00 C ATOM 882 CG2 VAL A 69 4.762 -7.288 -2.656 1.00 0.00 C ATOM 0 H VAL A 69 1.855 -7.929 -5.428 1.00 0.00 H new ATOM 0 HA VAL A 69 3.696 -5.809 -4.719 1.00 0.00 H new ATOM 0 HB VAL A 69 2.648 -7.089 -2.936 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.141 -9.465 -2.549 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.258 -9.199 -4.071 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.006 -9.532 -4.103 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.676 -7.757 -1.676 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.617 -7.708 -3.186 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.903 -6.214 -2.533 1.00 0.00 H new ATOM 892 N ARG A 70 5.681 -6.455 -6.011 1.00 0.00 N ATOM 893 CA ARG A 70 6.909 -6.777 -6.715 1.00 0.00 C ATOM 894 C ARG A 70 8.039 -6.981 -5.715 1.00 0.00 C ATOM 895 O ARG A 70 7.947 -6.534 -4.569 1.00 0.00 O ATOM 896 CB ARG A 70 7.281 -5.649 -7.677 1.00 0.00 C ATOM 897 CG ARG A 70 6.194 -5.326 -8.683 1.00 0.00 C ATOM 898 CD ARG A 70 5.901 -6.512 -9.578 1.00 0.00 C ATOM 899 NE ARG A 70 4.999 -6.162 -10.665 1.00 0.00 N ATOM 900 CZ ARG A 70 4.591 -7.019 -11.595 1.00 0.00 C ATOM 901 NH1 ARG A 70 5.018 -8.278 -11.581 1.00 0.00 N ATOM 902 NH2 ARG A 70 3.749 -6.614 -12.533 1.00 0.00 N ATOM 0 H ARG A 70 5.537 -5.457 -5.859 1.00 0.00 H new ATOM 0 HA ARG A 70 6.754 -7.694 -7.284 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.510 -4.752 -7.101 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.190 -5.924 -8.212 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.286 -5.031 -8.158 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.500 -4.475 -9.292 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.835 -6.895 -9.990 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.461 -7.314 -8.985 1.00 0.00 H new ATOM 0 HE ARG A 70 4.660 -5.201 -10.716 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.662 -8.590 -10.854 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.702 -8.932 -12.297 1.00 0.00 H new ATOM 0 HH21 ARG A 70 3.418 -5.649 -12.539 1.00 0.00 H new ATOM 0 HH22 ARG A 70 3.432 -7.267 -13.250 1.00 0.00 H new ATOM 916 N ARG A 71 9.098 -7.646 -6.149 1.00 0.00 N ATOM 917 CA ARG A 71 10.242 -7.896 -5.286 1.00 0.00 C ATOM 918 C ARG A 71 11.103 -6.641 -5.163 1.00 0.00 C ATOM 919 O ARG A 71 11.550 -6.279 -4.074 1.00 0.00 O ATOM 920 CB ARG A 71 11.071 -9.060 -5.825 1.00 0.00 C ATOM 921 CG ARG A 71 12.141 -9.536 -4.862 1.00 0.00 C ATOM 922 CD ARG A 71 11.523 -10.204 -3.645 1.00 0.00 C ATOM 923 NE ARG A 71 11.245 -11.619 -3.874 1.00 0.00 N ATOM 924 CZ ARG A 71 11.532 -12.583 -3.011 1.00 0.00 C ATOM 925 NH1 ARG A 71 12.081 -12.294 -1.838 1.00 0.00 N ATOM 926 NH2 ARG A 71 11.256 -13.835 -3.321 1.00 0.00 N ATOM 0 H ARG A 71 9.189 -8.022 -7.093 1.00 0.00 H new ATOM 0 HA ARG A 71 9.875 -8.161 -4.294 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.407 -9.892 -6.058 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.543 -8.758 -6.760 1.00 0.00 H new ATOM 0 HG2 ARG A 71 12.804 -10.237 -5.368 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.752 -8.691 -4.546 1.00 0.00 H new ATOM 0 HD2 ARG A 71 12.197 -10.101 -2.795 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.598 -9.692 -3.382 1.00 0.00 H new ATOM 0 HE ARG A 71 10.802 -11.882 -4.754 1.00 0.00 H new ATOM 0 HH11 ARG A 71 12.285 -11.324 -1.595 1.00 0.00 H new ATOM 0 HH12 ARG A 71 12.299 -13.041 -1.179 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.825 -14.055 -4.219 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.474 -14.583 -2.663 1.00 0.00 H new ATOM 940 N SER A 72 11.335 -5.997 -6.291 1.00 0.00 N ATOM 941 CA SER A 72 12.106 -4.770 -6.343 1.00 0.00 C ATOM 942 C SER A 72 11.269 -3.711 -7.048 1.00 0.00 C ATOM 943 O SER A 72 10.869 -3.897 -8.197 1.00 0.00 O ATOM 944 CB SER A 72 13.430 -5.001 -7.076 1.00 0.00 C ATOM 945 OG SER A 72 13.989 -6.269 -6.738 1.00 0.00 O ATOM 0 H SER A 72 10.993 -6.311 -7.199 1.00 0.00 H new ATOM 0 HA SER A 72 12.347 -4.434 -5.334 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.268 -4.947 -8.152 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.134 -4.210 -6.820 1.00 0.00 H new ATOM 0 HG SER A 72 14.454 -6.203 -5.878 1.00 0.00 H new ATOM 951 N PHE A 73 10.992 -2.617 -6.360 1.00 0.00 N ATOM 952 CA PHE A 73 10.154 -1.566 -6.917 1.00 0.00 C ATOM 953 C PHE A 73 10.683 -0.177 -6.590 1.00 0.00 C ATOM 954 O PHE A 73 11.500 -0.010 -5.685 1.00 0.00 O ATOM 955 CB PHE A 73 8.736 -1.708 -6.355 1.00 0.00 C ATOM 956 CG PHE A 73 8.655 -1.546 -4.854 1.00 0.00 C ATOM 957 CD1 PHE A 73 8.875 -2.622 -4.009 1.00 0.00 C ATOM 958 CD2 PHE A 73 8.355 -0.315 -4.293 1.00 0.00 C ATOM 959 CE1 PHE A 73 8.798 -2.473 -2.637 1.00 0.00 C ATOM 960 CE2 PHE A 73 8.276 -0.160 -2.920 1.00 0.00 C ATOM 961 CZ PHE A 73 8.497 -1.240 -2.093 1.00 0.00 C ATOM 0 H PHE A 73 11.334 -2.432 -5.417 1.00 0.00 H new ATOM 0 HA PHE A 73 10.156 -1.676 -8.001 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.092 -0.965 -6.826 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.344 -2.688 -6.627 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.110 -3.589 -4.428 1.00 0.00 H new ATOM 0 HD2 PHE A 73 8.180 0.535 -4.936 1.00 0.00 H new ATOM 0 HE1 PHE A 73 8.973 -3.320 -1.991 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.042 0.806 -2.497 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.435 -1.122 -1.021 1.00 0.00 H new ATOM 971 N GLU A 74 10.216 0.818 -7.335 1.00 0.00 N ATOM 972 CA GLU A 74 10.611 2.197 -7.087 1.00 0.00 C ATOM 973 C GLU A 74 9.792 2.739 -5.924 1.00 0.00 C ATOM 974 O GLU A 74 8.566 2.600 -5.904 1.00 0.00 O ATOM 975 CB GLU A 74 10.398 3.071 -8.326 1.00 0.00 C ATOM 976 CG GLU A 74 10.712 2.372 -9.635 1.00 0.00 C ATOM 977 CD GLU A 74 9.459 1.965 -10.378 1.00 0.00 C ATOM 978 OE1 GLU A 74 8.895 0.901 -10.056 1.00 0.00 O ATOM 979 OE2 GLU A 74 9.033 2.708 -11.289 1.00 0.00 O ATOM 0 H GLU A 74 9.567 0.696 -8.112 1.00 0.00 H new ATOM 0 HA GLU A 74 11.674 2.220 -6.846 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.362 3.409 -8.346 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.022 3.961 -8.242 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.308 3.033 -10.265 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.319 1.488 -9.437 1.00 0.00 H new ATOM 986 N GLY A 75 10.466 3.337 -4.958 1.00 0.00 N ATOM 987 CA GLY A 75 9.783 3.867 -3.798 1.00 0.00 C ATOM 988 C GLY A 75 9.413 5.328 -3.945 1.00 0.00 C ATOM 989 O GLY A 75 10.265 6.166 -4.262 1.00 0.00 O ATOM 0 H GLY A 75 11.478 3.466 -4.955 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.879 3.285 -3.618 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.420 3.746 -2.922 1.00 0.00 H new ATOM 993 N PHE A 76 8.148 5.633 -3.680 1.00 0.00 N ATOM 994 CA PHE A 76 7.638 6.992 -3.778 1.00 0.00 C ATOM 995 C PHE A 76 6.883 7.353 -2.508 1.00 0.00 C ATOM 996 O PHE A 76 6.304 6.483 -1.852 1.00 0.00 O ATOM 997 CB PHE A 76 6.699 7.131 -4.987 1.00 0.00 C ATOM 998 CG PHE A 76 7.401 7.379 -6.295 1.00 0.00 C ATOM 999 CD1 PHE A 76 8.268 6.436 -6.823 1.00 0.00 C ATOM 1000 CD2 PHE A 76 7.177 8.548 -6.999 1.00 0.00 C ATOM 1001 CE1 PHE A 76 8.902 6.658 -8.030 1.00 0.00 C ATOM 1002 CE2 PHE A 76 7.805 8.774 -8.208 1.00 0.00 C ATOM 1003 CZ PHE A 76 8.668 7.827 -8.724 1.00 0.00 C ATOM 0 H PHE A 76 7.451 4.947 -3.392 1.00 0.00 H new ATOM 0 HA PHE A 76 8.483 7.669 -3.907 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.103 6.222 -5.075 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.005 7.950 -4.800 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.450 5.517 -6.285 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.504 9.292 -6.599 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.579 5.918 -8.430 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.622 9.690 -8.749 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.159 8.002 -9.670 1.00 0.00 H new ATOM 1013 N LEU A 77 6.900 8.628 -2.160 1.00 0.00 N ATOM 1014 CA LEU A 77 6.202 9.104 -0.980 1.00 0.00 C ATOM 1015 C LEU A 77 4.760 9.430 -1.351 1.00 0.00 C ATOM 1016 O LEU A 77 4.451 9.623 -2.527 1.00 0.00 O ATOM 1017 CB LEU A 77 6.894 10.343 -0.391 1.00 0.00 C ATOM 1018 CG LEU A 77 8.420 10.258 -0.265 1.00 0.00 C ATOM 1019 CD1 LEU A 77 8.951 11.445 0.517 1.00 0.00 C ATOM 1020 CD2 LEU A 77 8.844 8.954 0.396 1.00 0.00 C ATOM 0 H LEU A 77 7.392 9.354 -2.681 1.00 0.00 H new ATOM 0 HA LEU A 77 6.219 8.323 -0.220 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.647 11.204 -1.012 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.477 10.533 0.598 1.00 0.00 H new ATOM 0 HG LEU A 77 8.844 10.280 -1.269 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.035 11.371 0.599 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.688 12.368 0.001 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.512 11.449 1.515 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.931 8.921 0.472 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.408 8.893 1.393 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.497 8.112 -0.203 1.00 0.00 H new ATOM 1032 N PHE A 78 3.887 9.511 -0.354 1.00 0.00 N ATOM 1033 CA PHE A 78 2.472 9.798 -0.596 1.00 0.00 C ATOM 1034 C PHE A 78 2.254 11.221 -1.114 1.00 0.00 C ATOM 1035 O PHE A 78 1.165 11.561 -1.575 1.00 0.00 O ATOM 1036 CB PHE A 78 1.661 9.577 0.682 1.00 0.00 C ATOM 1037 CG PHE A 78 1.056 8.206 0.775 1.00 0.00 C ATOM 1038 CD1 PHE A 78 1.825 7.116 1.146 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -0.283 8.007 0.490 1.00 0.00 C ATOM 1040 CE1 PHE A 78 1.271 5.854 1.230 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -0.845 6.748 0.571 1.00 0.00 C ATOM 1042 CZ PHE A 78 -0.064 5.669 0.941 1.00 0.00 C ATOM 0 H PHE A 78 4.130 9.383 0.628 1.00 0.00 H new ATOM 0 HA PHE A 78 2.129 9.110 -1.369 1.00 0.00 H new ATOM 0 HB2 PHE A 78 2.306 9.741 1.545 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.866 10.321 0.732 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.872 7.255 1.373 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.897 8.847 0.200 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.883 5.013 1.522 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.892 6.607 0.346 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.499 4.683 1.004 1.00 0.00 H new ATOM 1052 N ASP A 79 3.292 12.046 -1.046 1.00 0.00 N ATOM 1053 CA ASP A 79 3.198 13.427 -1.515 1.00 0.00 C ATOM 1054 C ASP A 79 3.608 13.539 -2.986 1.00 0.00 C ATOM 1055 O ASP A 79 3.257 14.505 -3.667 1.00 0.00 O ATOM 1056 CB ASP A 79 4.054 14.357 -0.641 1.00 0.00 C ATOM 1057 CG ASP A 79 5.367 14.742 -1.293 1.00 0.00 C ATOM 1058 OD1 ASP A 79 6.279 13.893 -1.354 1.00 0.00 O ATOM 1059 OD2 ASP A 79 5.497 15.900 -1.740 1.00 0.00 O ATOM 0 H ASP A 79 4.205 11.786 -0.673 1.00 0.00 H new ATOM 0 HA ASP A 79 2.157 13.739 -1.432 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.487 15.261 -0.418 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.258 13.866 0.311 1.00 0.00 H new ATOM 1064 N GLY A 80 4.334 12.538 -3.473 1.00 0.00 N ATOM 1065 CA GLY A 80 4.777 12.542 -4.856 1.00 0.00 C ATOM 1066 C GLY A 80 6.282 12.479 -4.997 1.00 0.00 C ATOM 1067 O GLY A 80 6.795 12.123 -6.058 1.00 0.00 O ATOM 0 H GLY A 80 4.624 11.722 -2.934 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.333 11.693 -5.376 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.409 13.443 -5.346 1.00 0.00 H new ATOM 1071 N THR A 81 6.991 12.830 -3.938 1.00 0.00 N ATOM 1072 CA THR A 81 8.446 12.811 -3.951 1.00 0.00 C ATOM 1073 C THR A 81 8.968 11.377 -4.031 1.00 0.00 C ATOM 1074 O THR A 81 8.414 10.474 -3.407 1.00 0.00 O ATOM 1075 CB THR A 81 9.000 13.504 -2.690 1.00 0.00 C ATOM 1076 OG1 THR A 81 8.441 14.822 -2.583 1.00 0.00 O ATOM 1077 CG2 THR A 81 10.520 13.591 -2.715 1.00 0.00 C ATOM 0 H THR A 81 6.582 13.133 -3.054 1.00 0.00 H new ATOM 0 HA THR A 81 8.787 13.353 -4.833 1.00 0.00 H new ATOM 0 HB THR A 81 8.716 12.905 -1.825 1.00 0.00 H new ATOM 0 HG1 THR A 81 7.694 14.810 -1.949 1.00 0.00 H new ATOM 0 HG21 THR A 81 10.871 14.086 -1.809 1.00 0.00 H new ATOM 0 HG22 THR A 81 10.941 12.587 -2.767 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.837 14.163 -3.587 1.00 0.00 H new ATOM 1085 N ARG A 82 10.012 11.162 -4.819 1.00 0.00 N ATOM 1086 CA ARG A 82 10.589 9.835 -4.962 1.00 0.00 C ATOM 1087 C ARG A 82 11.839 9.713 -4.102 1.00 0.00 C ATOM 1088 O ARG A 82 12.556 10.693 -3.897 1.00 0.00 O ATOM 1089 CB ARG A 82 10.918 9.533 -6.427 1.00 0.00 C ATOM 1090 CG ARG A 82 11.816 10.567 -7.087 1.00 0.00 C ATOM 1091 CD ARG A 82 11.122 11.227 -8.267 1.00 0.00 C ATOM 1092 NE ARG A 82 11.045 10.330 -9.421 1.00 0.00 N ATOM 1093 CZ ARG A 82 10.141 10.429 -10.394 1.00 0.00 C ATOM 1094 NH1 ARG A 82 9.234 11.393 -10.369 1.00 0.00 N ATOM 1095 NH2 ARG A 82 10.154 9.559 -11.401 1.00 0.00 N ATOM 0 H ARG A 82 10.475 11.887 -5.367 1.00 0.00 H new ATOM 0 HA ARG A 82 9.854 9.104 -4.625 1.00 0.00 H new ATOM 0 HB2 ARG A 82 11.401 8.557 -6.486 1.00 0.00 H new ATOM 0 HB3 ARG A 82 9.987 9.463 -6.990 1.00 0.00 H new ATOM 0 HG2 ARG A 82 12.098 11.326 -6.357 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.737 10.091 -7.424 1.00 0.00 H new ATOM 0 HD2 ARG A 82 10.117 11.531 -7.975 1.00 0.00 H new ATOM 0 HD3 ARG A 82 11.660 12.133 -8.546 1.00 0.00 H new ATOM 0 HE ARG A 82 11.731 9.578 -9.484 1.00 0.00 H new ATOM 0 HH11 ARG A 82 9.225 12.065 -9.602 1.00 0.00 H new ATOM 0 HH12 ARG A 82 8.544 11.464 -11.117 1.00 0.00 H new ATOM 0 HH21 ARG A 82 10.855 8.819 -11.426 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.463 9.633 -12.147 1.00 0.00 H new ATOM 1109 N TRP A 83 12.090 8.520 -3.587 1.00 0.00 N ATOM 1110 CA TRP A 83 13.255 8.297 -2.745 1.00 0.00 C ATOM 1111 C TRP A 83 14.307 7.473 -3.473 1.00 0.00 C ATOM 1112 O TRP A 83 15.500 7.773 -3.416 1.00 0.00 O ATOM 1113 CB TRP A 83 12.851 7.596 -1.449 1.00 0.00 C ATOM 1114 CG TRP A 83 13.689 7.998 -0.273 1.00 0.00 C ATOM 1115 CD1 TRP A 83 14.795 7.358 0.208 1.00 0.00 C ATOM 1116 CD2 TRP A 83 13.487 9.138 0.569 1.00 0.00 C ATOM 1117 NE1 TRP A 83 15.293 8.034 1.296 1.00 0.00 N ATOM 1118 CE2 TRP A 83 14.504 9.128 1.539 1.00 0.00 C ATOM 1119 CE3 TRP A 83 12.543 10.167 0.595 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 14.605 10.109 2.523 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 12.642 11.140 1.573 1.00 0.00 C ATOM 1122 CH2 TRP A 83 13.667 11.103 2.526 1.00 0.00 C ATOM 0 H TRP A 83 11.507 7.696 -3.736 1.00 0.00 H new ATOM 0 HA TRP A 83 13.684 9.270 -2.505 1.00 0.00 H new ATOM 0 HB2 TRP A 83 11.806 7.818 -1.234 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.926 6.518 -1.588 1.00 0.00 H new ATOM 0 HD1 TRP A 83 15.216 6.454 -0.206 1.00 0.00 H new ATOM 0 HE1 TRP A 83 16.116 7.765 1.835 1.00 0.00 H new ATOM 0 HE3 TRP A 83 11.749 10.202 -0.136 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 15.396 10.085 3.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 11.918 11.940 1.602 1.00 0.00 H new ATOM 0 HH2 TRP A 83 13.717 11.876 3.279 1.00 0.00 H new ATOM 1133 N GLY A 84 13.862 6.426 -4.146 1.00 0.00 N ATOM 1134 CA GLY A 84 14.772 5.575 -4.874 1.00 0.00 C ATOM 1135 C GLY A 84 14.223 4.179 -5.036 1.00 0.00 C ATOM 1136 O GLY A 84 13.073 3.920 -4.691 1.00 0.00 O ATOM 0 H GLY A 84 12.881 6.150 -4.200 1.00 0.00 H new ATOM 0 HA2 GLY A 84 14.966 6.006 -5.856 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.727 5.532 -4.351 1.00 0.00 H new ATOM 1140 N THR A 85 15.043 3.282 -5.545 1.00 0.00 N ATOM 1141 CA THR A 85 14.635 1.908 -5.768 1.00 0.00 C ATOM 1142 C THR A 85 14.720 1.087 -4.480 1.00 0.00 C ATOM 1143 O THR A 85 15.753 1.059 -3.814 1.00 0.00 O ATOM 1144 CB THR A 85 15.514 1.269 -6.855 1.00 0.00 C ATOM 1145 OG1 THR A 85 15.764 2.236 -7.885 1.00 0.00 O ATOM 1146 CG2 THR A 85 14.846 0.043 -7.458 1.00 0.00 C ATOM 0 H THR A 85 16.006 3.482 -5.815 1.00 0.00 H new ATOM 0 HA THR A 85 13.596 1.914 -6.098 1.00 0.00 H new ATOM 0 HB THR A 85 16.452 0.951 -6.399 1.00 0.00 H new ATOM 0 HG1 THR A 85 16.326 1.835 -8.581 1.00 0.00 H new ATOM 0 HG21 THR A 85 15.494 -0.385 -8.223 1.00 0.00 H new ATOM 0 HG22 THR A 85 14.670 -0.696 -6.677 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.895 0.330 -7.907 1.00 0.00 H new ATOM 1154 N VAL A 86 13.616 0.436 -4.134 1.00 0.00 N ATOM 1155 CA VAL A 86 13.534 -0.392 -2.935 1.00 0.00 C ATOM 1156 C VAL A 86 13.625 -1.862 -3.327 1.00 0.00 C ATOM 1157 O VAL A 86 13.159 -2.249 -4.402 1.00 0.00 O ATOM 1158 CB VAL A 86 12.210 -0.159 -2.170 1.00 0.00 C ATOM 1159 CG1 VAL A 86 12.328 -0.619 -0.725 1.00 0.00 C ATOM 1160 CG2 VAL A 86 11.794 1.301 -2.228 1.00 0.00 C ATOM 0 H VAL A 86 12.752 0.467 -4.676 1.00 0.00 H new ATOM 0 HA VAL A 86 14.362 -0.116 -2.282 1.00 0.00 H new ATOM 0 HB VAL A 86 11.438 -0.754 -2.658 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.384 -0.444 -0.209 1.00 0.00 H new ATOM 0 HG12 VAL A 86 12.564 -1.683 -0.700 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.121 -0.060 -0.229 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.860 1.435 -1.682 1.00 0.00 H new ATOM 0 HG22 VAL A 86 12.570 1.919 -1.777 1.00 0.00 H new ATOM 0 HG23 VAL A 86 11.653 1.598 -3.267 1.00 0.00 H new ATOM 1170 N ASP A 87 14.212 -2.684 -2.469 1.00 0.00 N ATOM 1171 CA ASP A 87 14.363 -4.099 -2.781 1.00 0.00 C ATOM 1172 C ASP A 87 14.019 -4.983 -1.588 1.00 0.00 C ATOM 1173 O ASP A 87 14.513 -4.772 -0.478 1.00 0.00 O ATOM 1174 CB ASP A 87 15.792 -4.394 -3.240 1.00 0.00 C ATOM 1175 CG ASP A 87 15.983 -5.849 -3.610 1.00 0.00 C ATOM 1176 OD1 ASP A 87 16.311 -6.658 -2.718 1.00 0.00 O ATOM 1177 OD2 ASP A 87 15.798 -6.197 -4.795 1.00 0.00 O ATOM 0 H ASP A 87 14.587 -2.402 -1.563 1.00 0.00 H new ATOM 0 HA ASP A 87 13.664 -4.328 -3.586 1.00 0.00 H new ATOM 0 HB2 ASP A 87 16.033 -3.768 -4.099 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.489 -4.128 -2.446 1.00 0.00 H new ATOM 1182 N CYS A 88 13.169 -5.973 -1.830 1.00 0.00 N ATOM 1183 CA CYS A 88 12.767 -6.918 -0.798 1.00 0.00 C ATOM 1184 C CYS A 88 13.254 -8.324 -1.149 1.00 0.00 C ATOM 1185 O CYS A 88 12.633 -9.325 -0.785 1.00 0.00 O ATOM 1186 CB CYS A 88 11.243 -6.908 -0.615 1.00 0.00 C ATOM 1187 SG CYS A 88 10.618 -5.466 0.313 1.00 0.00 S ATOM 0 H CYS A 88 12.742 -6.142 -2.741 1.00 0.00 H new ATOM 0 HA CYS A 88 13.225 -6.614 0.144 1.00 0.00 H new ATOM 0 HB2 CYS A 88 10.769 -6.929 -1.596 1.00 0.00 H new ATOM 0 HB3 CYS A 88 10.943 -7.819 -0.097 1.00 0.00 H new ATOM 1192 N THR A 89 14.370 -8.402 -1.869 1.00 0.00 N ATOM 1193 CA THR A 89 14.946 -9.685 -2.249 1.00 0.00 C ATOM 1194 C THR A 89 15.714 -10.264 -1.067 1.00 0.00 C ATOM 1195 O THR A 89 15.915 -11.473 -0.955 1.00 0.00 O ATOM 1196 CB THR A 89 15.880 -9.537 -3.468 1.00 0.00 C ATOM 1197 OG1 THR A 89 15.231 -8.766 -4.486 1.00 0.00 O ATOM 1198 CG2 THR A 89 16.262 -10.894 -4.034 1.00 0.00 C ATOM 0 H THR A 89 14.892 -7.591 -2.200 1.00 0.00 H new ATOM 0 HA THR A 89 14.137 -10.361 -2.528 1.00 0.00 H new ATOM 0 HB THR A 89 16.787 -9.030 -3.139 1.00 0.00 H new ATOM 0 HG1 THR A 89 15.798 -8.005 -4.731 1.00 0.00 H new ATOM 0 HG21 THR A 89 16.920 -10.758 -4.892 1.00 0.00 H new ATOM 0 HG22 THR A 89 16.777 -11.475 -3.269 1.00 0.00 H new ATOM 0 HG23 THR A 89 15.362 -11.424 -4.347 1.00 0.00 H new ATOM 1206 N THR A 90 16.124 -9.377 -0.177 1.00 0.00 N ATOM 1207 CA THR A 90 16.851 -9.759 1.017 1.00 0.00 C ATOM 1208 C THR A 90 16.262 -9.029 2.225 1.00 0.00 C ATOM 1209 O THR A 90 16.916 -8.852 3.255 1.00 0.00 O ATOM 1210 CB THR A 90 18.359 -9.447 0.869 1.00 0.00 C ATOM 1211 OG1 THR A 90 19.080 -9.885 2.028 1.00 0.00 O ATOM 1212 CG2 THR A 90 18.591 -7.959 0.657 1.00 0.00 C ATOM 0 H THR A 90 15.962 -8.374 -0.263 1.00 0.00 H new ATOM 0 HA THR A 90 16.751 -10.834 1.165 1.00 0.00 H new ATOM 0 HB THR A 90 18.724 -9.986 -0.005 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.622 -9.571 2.836 1.00 0.00 H new ATOM 0 HG21 THR A 90 19.659 -7.768 0.556 1.00 0.00 H new ATOM 0 HG22 THR A 90 18.078 -7.636 -0.249 1.00 0.00 H new ATOM 0 HG23 THR A 90 18.203 -7.405 1.511 1.00 0.00 H new ATOM 1220 N ALA A 91 15.002 -8.630 2.083 1.00 0.00 N ATOM 1221 CA ALA A 91 14.286 -7.908 3.124 1.00 0.00 C ATOM 1222 C ALA A 91 12.797 -8.216 3.045 1.00 0.00 C ATOM 1223 O ALA A 91 12.359 -8.947 2.158 1.00 0.00 O ATOM 1224 CB ALA A 91 14.526 -6.412 2.979 1.00 0.00 C ATOM 0 H ALA A 91 14.450 -8.799 1.242 1.00 0.00 H new ATOM 0 HA ALA A 91 14.656 -8.229 4.098 1.00 0.00 H new ATOM 0 HB1 ALA A 91 13.986 -5.879 3.762 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.592 -6.204 3.067 1.00 0.00 H new ATOM 0 HB3 ALA A 91 14.171 -6.079 2.003 1.00 0.00 H new ATOM 1230 N ALA A 92 12.025 -7.654 3.960 1.00 0.00 N ATOM 1231 CA ALA A 92 10.588 -7.875 3.980 1.00 0.00 C ATOM 1232 C ALA A 92 9.851 -6.624 3.523 1.00 0.00 C ATOM 1233 O ALA A 92 10.253 -5.505 3.845 1.00 0.00 O ATOM 1234 CB ALA A 92 10.139 -8.285 5.376 1.00 0.00 C ATOM 0 H ALA A 92 12.369 -7.041 4.699 1.00 0.00 H new ATOM 0 HA ALA A 92 10.348 -8.683 3.289 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.061 -8.448 5.378 1.00 0.00 H new ATOM 0 HB2 ALA A 92 10.646 -9.206 5.665 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.388 -7.495 6.085 1.00 0.00 H new ATOM 1240 N CYS A 93 8.790 -6.817 2.761 1.00 0.00 N ATOM 1241 CA CYS A 93 7.991 -5.708 2.257 1.00 0.00 C ATOM 1242 C CYS A 93 6.723 -5.565 3.094 1.00 0.00 C ATOM 1243 O CYS A 93 6.452 -6.399 3.956 1.00 0.00 O ATOM 1244 CB CYS A 93 7.626 -5.944 0.784 1.00 0.00 C ATOM 1245 SG CYS A 93 8.750 -5.164 -0.430 1.00 0.00 S ATOM 0 H CYS A 93 8.457 -7.738 2.474 1.00 0.00 H new ATOM 0 HA CYS A 93 8.573 -4.789 2.329 1.00 0.00 H new ATOM 0 HB2 CYS A 93 7.605 -7.018 0.599 1.00 0.00 H new ATOM 0 HB3 CYS A 93 6.616 -5.572 0.612 1.00 0.00 H new ATOM 1250 N GLN A 94 5.955 -4.512 2.857 1.00 0.00 N ATOM 1251 CA GLN A 94 4.717 -4.294 3.597 1.00 0.00 C ATOM 1252 C GLN A 94 3.670 -3.606 2.724 1.00 0.00 C ATOM 1253 O GLN A 94 3.976 -3.110 1.637 1.00 0.00 O ATOM 1254 CB GLN A 94 4.981 -3.478 4.870 1.00 0.00 C ATOM 1255 CG GLN A 94 5.693 -2.161 4.627 1.00 0.00 C ATOM 1256 CD GLN A 94 6.842 -1.935 5.592 1.00 0.00 C ATOM 1257 OE1 GLN A 94 7.992 -2.244 5.290 1.00 0.00 O ATOM 1258 NE2 GLN A 94 6.539 -1.406 6.766 1.00 0.00 N ATOM 0 H GLN A 94 6.164 -3.796 2.161 1.00 0.00 H new ATOM 0 HA GLN A 94 4.325 -5.268 3.889 1.00 0.00 H new ATOM 0 HB2 GLN A 94 4.030 -3.278 5.364 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.577 -4.079 5.557 1.00 0.00 H new ATOM 0 HG2 GLN A 94 6.071 -2.139 3.605 1.00 0.00 H new ATOM 0 HG3 GLN A 94 4.979 -1.343 4.720 1.00 0.00 H new ATOM 0 HE21 GLN A 94 5.572 -1.162 6.981 1.00 0.00 H new ATOM 0 HE22 GLN A 94 7.272 -1.242 7.456 1.00 0.00 H new ATOM 1267 N VAL A 95 2.431 -3.596 3.188 1.00 0.00 N ATOM 1268 CA VAL A 95 1.346 -2.970 2.446 1.00 0.00 C ATOM 1269 C VAL A 95 1.006 -1.608 3.041 1.00 0.00 C ATOM 1270 O VAL A 95 0.707 -1.496 4.233 1.00 0.00 O ATOM 1271 CB VAL A 95 0.078 -3.855 2.434 1.00 0.00 C ATOM 1272 CG1 VAL A 95 -0.935 -3.323 1.427 1.00 0.00 C ATOM 1273 CG2 VAL A 95 0.432 -5.304 2.122 1.00 0.00 C ATOM 0 H VAL A 95 2.150 -4.014 4.075 1.00 0.00 H new ATOM 0 HA VAL A 95 1.689 -2.845 1.419 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.371 -3.821 3.427 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.821 -3.958 1.432 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.217 -2.305 1.697 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.493 -3.325 0.431 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.476 -5.908 2.119 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.908 -5.360 1.143 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.117 -5.683 2.881 1.00 0.00 H new ATOM 1283 N GLY A 96 1.063 -0.578 2.214 1.00 0.00 N ATOM 1284 CA GLY A 96 0.760 0.757 2.674 1.00 0.00 C ATOM 1285 C GLY A 96 -0.613 1.208 2.238 1.00 0.00 C ATOM 1286 O GLY A 96 -0.842 1.484 1.061 1.00 0.00 O ATOM 0 H GLY A 96 1.315 -0.644 1.228 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.823 0.789 3.762 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.508 1.451 2.291 1.00 0.00 H new ATOM 1290 N LEU A 97 -1.531 1.264 3.187 1.00 0.00 N ATOM 1291 CA LEU A 97 -2.897 1.676 2.913 1.00 0.00 C ATOM 1292 C LEU A 97 -3.203 2.983 3.631 1.00 0.00 C ATOM 1293 O LEU A 97 -3.237 3.030 4.862 1.00 0.00 O ATOM 1294 CB LEU A 97 -3.883 0.586 3.356 1.00 0.00 C ATOM 1295 CG LEU A 97 -3.251 -0.681 3.947 1.00 0.00 C ATOM 1296 CD1 LEU A 97 -2.968 -0.505 5.433 1.00 0.00 C ATOM 1297 CD2 LEU A 97 -4.154 -1.881 3.719 1.00 0.00 C ATOM 0 H LEU A 97 -1.353 1.027 4.163 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.007 1.829 1.839 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.559 1.013 4.097 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.491 0.300 2.497 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.303 -0.856 3.438 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.520 -1.417 5.829 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.281 0.329 5.576 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.900 -0.301 5.959 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.691 -2.771 4.144 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.117 -1.708 4.200 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.303 -2.026 2.649 1.00 0.00 H new ATOM 1309 N SER A 98 -3.389 4.049 2.872 1.00 0.00 N ATOM 1310 CA SER A 98 -3.691 5.346 3.455 1.00 0.00 C ATOM 1311 C SER A 98 -4.653 6.128 2.568 1.00 0.00 C ATOM 1312 O SER A 98 -4.772 5.853 1.375 1.00 0.00 O ATOM 1313 CB SER A 98 -2.401 6.145 3.657 1.00 0.00 C ATOM 1314 OG SER A 98 -1.437 5.399 4.388 1.00 0.00 O ATOM 0 H SER A 98 -3.337 4.043 1.853 1.00 0.00 H new ATOM 0 HA SER A 98 -4.167 5.184 4.422 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.988 6.424 2.687 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.624 7.071 4.187 1.00 0.00 H new ATOM 0 HG SER A 98 -0.624 5.935 4.499 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.357 7.082 3.161 1.00 0.00 N ATOM 1321 CA ASP A 99 -6.294 7.913 2.418 1.00 0.00 C ATOM 1322 C ASP A 99 -5.557 9.108 1.812 1.00 0.00 C ATOM 1323 O ASP A 99 -4.328 9.163 1.850 1.00 0.00 O ATOM 1324 CB ASP A 99 -7.436 8.385 3.333 1.00 0.00 C ATOM 1325 CG ASP A 99 -7.095 9.641 4.116 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -6.157 9.602 4.933 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -7.773 10.670 3.916 1.00 0.00 O ATOM 0 H ASP A 99 -5.297 7.300 4.156 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.730 7.324 1.611 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -8.324 8.571 2.729 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.687 7.586 4.031 1.00 0.00 H new ATOM 1332 N ALA A 100 -6.308 10.055 1.259 1.00 0.00 N ATOM 1333 CA ALA A 100 -5.724 11.243 0.646 1.00 0.00 C ATOM 1334 C ALA A 100 -4.872 12.018 1.650 1.00 0.00 C ATOM 1335 O ALA A 100 -3.856 12.606 1.285 1.00 0.00 O ATOM 1336 CB ALA A 100 -6.817 12.134 0.080 1.00 0.00 C ATOM 0 H ALA A 100 -7.327 10.022 1.223 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.075 10.920 -0.168 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.368 13.017 -0.375 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.380 11.584 -0.674 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.488 12.441 0.882 1.00 0.00 H new ATOM 1342 N ALA A 101 -5.280 12.011 2.913 1.00 0.00 N ATOM 1343 CA ALA A 101 -4.536 12.709 3.950 1.00 0.00 C ATOM 1344 C ALA A 101 -3.363 11.866 4.441 1.00 0.00 C ATOM 1345 O ALA A 101 -2.239 12.360 4.562 1.00 0.00 O ATOM 1346 CB ALA A 101 -5.448 13.069 5.105 1.00 0.00 C ATOM 0 H ALA A 101 -6.118 11.532 3.241 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.137 13.628 3.521 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.875 13.591 5.872 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -6.249 13.716 4.748 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -5.876 12.160 5.527 1.00 0.00 H new ATOM 1352 N GLY A 102 -3.630 10.600 4.731 1.00 0.00 N ATOM 1353 CA GLY A 102 -2.587 9.706 5.198 1.00 0.00 C ATOM 1354 C GLY A 102 -3.012 8.893 6.407 1.00 0.00 C ATOM 1355 O GLY A 102 -2.195 8.584 7.275 1.00 0.00 O ATOM 0 H GLY A 102 -4.553 10.174 4.651 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -2.305 9.030 4.391 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -1.701 10.288 5.450 1.00 0.00 H new ATOM 1359 N ASN A 103 -4.295 8.563 6.473 1.00 0.00 N ATOM 1360 CA ASN A 103 -4.832 7.781 7.582 1.00 0.00 C ATOM 1361 C ASN A 103 -5.437 6.487 7.064 1.00 0.00 C ATOM 1362 O ASN A 103 -5.361 6.198 5.869 1.00 0.00 O ATOM 1363 CB ASN A 103 -5.904 8.572 8.338 1.00 0.00 C ATOM 1364 CG ASN A 103 -5.538 10.028 8.541 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -4.945 10.398 9.552 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -5.882 10.867 7.574 1.00 0.00 N ATOM 0 H ASN A 103 -4.986 8.825 5.770 1.00 0.00 H new ATOM 0 HA ASN A 103 -4.012 7.556 8.264 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -6.844 8.513 7.790 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -6.072 8.107 9.310 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -5.655 11.858 7.654 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -6.374 10.521 6.750 1.00 0.00 H new ATOM 1373 N GLY A 104 -6.046 5.716 7.953 1.00 0.00 N ATOM 1374 CA GLY A 104 -6.653 4.468 7.545 1.00 0.00 C ATOM 1375 C GLY A 104 -6.250 3.307 8.433 1.00 0.00 C ATOM 1376 O GLY A 104 -5.992 3.495 9.624 1.00 0.00 O ATOM 0 H GLY A 104 -6.130 5.932 8.946 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.738 4.573 7.561 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.369 4.249 6.516 1.00 0.00 H new ATOM 1380 N PRO A 105 -6.197 2.085 7.885 1.00 0.00 N ATOM 1381 CA PRO A 105 -5.819 0.897 8.642 1.00 0.00 C ATOM 1382 C PRO A 105 -4.316 0.823 8.875 1.00 0.00 C ATOM 1383 O PRO A 105 -3.540 1.524 8.223 1.00 0.00 O ATOM 1384 CB PRO A 105 -6.282 -0.272 7.753 1.00 0.00 C ATOM 1385 CG PRO A 105 -7.000 0.346 6.592 1.00 0.00 C ATOM 1386 CD PRO A 105 -6.500 1.757 6.490 1.00 0.00 C ATOM 0 HA PRO A 105 -6.269 0.890 9.635 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -5.432 -0.864 7.415 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.939 -0.944 8.305 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -6.800 -0.205 5.673 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.079 0.326 6.747 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -5.617 1.830 5.855 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.252 2.425 6.070 1.00 0.00 H new ATOM 1394 N GLU A 106 -3.910 -0.018 9.812 1.00 0.00 N ATOM 1395 CA GLU A 106 -2.501 -0.186 10.120 1.00 0.00 C ATOM 1396 C GLU A 106 -1.816 -0.992 9.020 1.00 0.00 C ATOM 1397 O GLU A 106 -2.413 -1.913 8.457 1.00 0.00 O ATOM 1398 CB GLU A 106 -2.340 -0.892 11.465 1.00 0.00 C ATOM 1399 CG GLU A 106 -0.917 -0.888 11.994 1.00 0.00 C ATOM 1400 CD GLU A 106 -0.787 -1.660 13.285 1.00 0.00 C ATOM 1401 OE1 GLU A 106 -1.012 -1.068 14.360 1.00 0.00 O ATOM 1402 OE2 GLU A 106 -0.481 -2.867 13.230 1.00 0.00 O ATOM 0 H GLU A 106 -4.537 -0.595 10.372 1.00 0.00 H new ATOM 0 HA GLU A 106 -2.033 0.797 10.179 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.991 -0.413 12.196 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -2.678 -1.924 11.366 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -0.252 -1.319 11.246 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -0.593 0.141 12.153 1.00 0.00 H new ATOM 1409 N GLY A 107 -0.574 -0.635 8.714 1.00 0.00 N ATOM 1410 CA GLY A 107 0.177 -1.332 7.683 1.00 0.00 C ATOM 1411 C GLY A 107 0.474 -2.772 8.053 1.00 0.00 C ATOM 1412 O GLY A 107 0.739 -3.080 9.218 1.00 0.00 O ATOM 0 H GLY A 107 -0.070 0.129 9.164 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.386 -1.309 6.750 1.00 0.00 H new ATOM 0 HA3 GLY A 107 1.115 -0.806 7.503 1.00 0.00 H new ATOM 1416 N VAL A 108 0.430 -3.653 7.064 1.00 0.00 N ATOM 1417 CA VAL A 108 0.683 -5.071 7.285 1.00 0.00 C ATOM 1418 C VAL A 108 1.952 -5.505 6.559 1.00 0.00 C ATOM 1419 O VAL A 108 2.116 -5.227 5.370 1.00 0.00 O ATOM 1420 CB VAL A 108 -0.502 -5.938 6.799 1.00 0.00 C ATOM 1421 CG1 VAL A 108 -0.299 -7.396 7.186 1.00 0.00 C ATOM 1422 CG2 VAL A 108 -1.821 -5.408 7.351 1.00 0.00 C ATOM 0 H VAL A 108 0.220 -3.410 6.096 1.00 0.00 H new ATOM 0 HA VAL A 108 0.806 -5.217 8.358 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.542 -5.880 5.711 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.145 -7.987 6.834 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.619 -7.769 6.731 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.226 -7.478 8.270 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.641 -6.033 6.997 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.794 -5.428 8.440 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.972 -4.383 7.011 1.00 0.00 H new ATOM 1432 N ALA A 109 2.852 -6.166 7.278 1.00 0.00 N ATOM 1433 CA ALA A 109 4.101 -6.642 6.697 1.00 0.00 C ATOM 1434 C ALA A 109 3.896 -7.972 5.985 1.00 0.00 C ATOM 1435 O ALA A 109 3.094 -8.801 6.419 1.00 0.00 O ATOM 1436 CB ALA A 109 5.172 -6.774 7.769 1.00 0.00 C ATOM 0 H ALA A 109 2.739 -6.385 8.268 1.00 0.00 H new ATOM 0 HA ALA A 109 4.433 -5.909 5.962 1.00 0.00 H new ATOM 0 HB1 ALA A 109 6.097 -7.131 7.317 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.345 -5.802 8.232 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.842 -7.484 8.528 1.00 0.00 H new ATOM 1442 N ILE A 110 4.623 -8.172 4.896 1.00 0.00 N ATOM 1443 CA ILE A 110 4.519 -9.399 4.121 1.00 0.00 C ATOM 1444 C ILE A 110 5.893 -9.892 3.666 1.00 0.00 C ATOM 1445 O ILE A 110 6.598 -9.214 2.911 1.00 0.00 O ATOM 1446 CB ILE A 110 3.603 -9.224 2.886 1.00 0.00 C ATOM 1447 CG1 ILE A 110 3.895 -7.898 2.173 1.00 0.00 C ATOM 1448 CG2 ILE A 110 2.136 -9.297 3.299 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.266 -7.797 0.802 1.00 0.00 C ATOM 0 H ILE A 110 5.294 -7.497 4.528 1.00 0.00 H new ATOM 0 HA ILE A 110 4.075 -10.143 4.782 1.00 0.00 H new ATOM 0 HB ILE A 110 3.810 -10.036 2.189 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.534 -7.076 2.791 1.00 0.00 H new ATOM 0 HG13 ILE A 110 4.974 -7.776 2.078 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.504 -9.172 2.420 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.935 -10.266 3.756 1.00 0.00 H new ATOM 0 HG23 ILE A 110 1.920 -8.505 4.016 1.00 0.00 H new ATOM 0 HD11 ILE A 110 3.515 -6.833 0.358 1.00 0.00 H new ATOM 0 HD12 ILE A 110 3.646 -8.598 0.168 1.00 0.00 H new ATOM 0 HD13 ILE A 110 2.183 -7.887 0.891 1.00 0.00 H new ATOM 1461 N SER A 111 6.271 -11.069 4.141 1.00 0.00 N ATOM 1462 CA SER A 111 7.546 -11.671 3.780 1.00 0.00 C ATOM 1463 C SER A 111 7.334 -12.724 2.695 1.00 0.00 C ATOM 1464 O SER A 111 6.311 -13.417 2.683 1.00 0.00 O ATOM 1465 CB SER A 111 8.211 -12.292 5.012 1.00 0.00 C ATOM 1466 OG SER A 111 8.230 -11.376 6.096 1.00 0.00 O ATOM 0 H SER A 111 5.709 -11.630 4.782 1.00 0.00 H new ATOM 0 HA SER A 111 8.206 -10.896 3.391 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.674 -13.195 5.303 1.00 0.00 H new ATOM 0 HB3 SER A 111 9.230 -12.592 4.767 1.00 0.00 H new ATOM 0 HG SER A 111 8.658 -11.796 6.871 1.00 0.00 H new ATOM 1472 N PHE A 112 8.291 -12.838 1.787 1.00 0.00 N ATOM 1473 CA PHE A 112 8.196 -13.796 0.697 1.00 0.00 C ATOM 1474 C PHE A 112 8.714 -15.167 1.118 1.00 0.00 C ATOM 1475 O PHE A 112 9.453 -15.289 2.099 1.00 0.00 O ATOM 1476 CB PHE A 112 8.968 -13.292 -0.523 1.00 0.00 C ATOM 1477 CG PHE A 112 8.494 -11.954 -1.017 1.00 0.00 C ATOM 1478 CD1 PHE A 112 7.365 -11.855 -1.816 1.00 0.00 C ATOM 1479 CD2 PHE A 112 9.173 -10.795 -0.681 1.00 0.00 C ATOM 1480 CE1 PHE A 112 6.924 -10.624 -2.268 1.00 0.00 C ATOM 1481 CE2 PHE A 112 8.738 -9.564 -1.131 1.00 0.00 C ATOM 1482 CZ PHE A 112 7.612 -9.479 -1.926 1.00 0.00 C ATOM 0 H PHE A 112 9.143 -12.278 1.784 1.00 0.00 H new ATOM 0 HA PHE A 112 7.143 -13.899 0.433 1.00 0.00 H new ATOM 0 HB2 PHE A 112 10.026 -13.224 -0.272 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.878 -14.021 -1.328 1.00 0.00 H new ATOM 0 HD1 PHE A 112 6.824 -12.749 -2.089 1.00 0.00 H new ATOM 0 HD2 PHE A 112 10.054 -10.854 -0.059 1.00 0.00 H new ATOM 0 HE1 PHE A 112 6.042 -10.560 -2.888 1.00 0.00 H new ATOM 0 HE2 PHE A 112 9.278 -8.668 -0.861 1.00 0.00 H new ATOM 0 HZ PHE A 112 7.271 -8.517 -2.279 1.00 0.00 H new ATOM 1492 N ASN A 113 8.317 -16.191 0.377 1.00 0.00 N ATOM 1493 CA ASN A 113 8.734 -17.557 0.662 1.00 0.00 C ATOM 1494 C ASN A 113 10.225 -17.726 0.384 1.00 0.00 C ATOM 1495 O ASN A 113 10.846 -18.612 0.999 1.00 0.00 O ATOM 1496 CB ASN A 113 7.919 -18.566 -0.163 1.00 0.00 C ATOM 1497 CG ASN A 113 8.586 -18.956 -1.471 1.00 0.00 C ATOM 1498 OD1 ASN A 113 9.371 -19.905 -1.529 1.00 0.00 O ATOM 1499 ND2 ASN A 113 8.270 -18.236 -2.536 1.00 0.00 N ATOM 1500 OXT ASN A 113 10.775 -16.960 -0.438 1.00 0.00 O ATOM 0 H ASN A 113 7.702 -16.101 -0.432 1.00 0.00 H new ATOM 0 HA ASN A 113 8.549 -17.754 1.718 1.00 0.00 H new ATOM 0 HB2 ASN A 113 7.755 -19.463 0.434 1.00 0.00 H new ATOM 0 HB3 ASN A 113 6.938 -18.141 -0.377 1.00 0.00 H new ATOM 0 HD21 ASN A 113 8.680 -18.460 -3.443 1.00 0.00 H new ATOM 0 HD22 ASN A 113 7.616 -17.458 -2.450 1.00 0.00 H new