USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 847 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 54 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 103 CYS SG : rot -36:sc= -1.74! USER MOD Set 2.1: A 11 MET CE :methyl -138:sc= 0 (180deg=0) USER MOD Set 2.2: A 15 HIS : no HE2:sc= -0.412 K(o=-0.41,f=-2.1) USER MOD Single : A 1 MET CE :methyl 167:sc= -0.0203 (180deg=-0.248) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HE2:sc= 0.00178 X(o=0.0018,f=-0.41) USER MOD Single : A 4 HIS : no HE2:sc= 0.0354 X(o=0.035,f=-0.28) USER MOD Single : A 5 HIS : no HD1:sc=-0.00578 X(o=-0.0058,f=-0.0058) USER MOD Single : A 6 HIS : no HE2:sc= -0.149 K(o=-0.15,f=-1.1) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 36:sc= 0.226 USER MOD Single : A 10 HIS : no HE2:sc= -0.256 K(o=-0.26,f=-0.85) USER MOD Single : A 12 SER OG : rot 180:sc= 0.301 USER MOD Single : A 14 TYR OH : rot 180:sc= -0.0846 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= -0.399 USER MOD Single : A 41 SER OG : rot 73:sc= 0.112 USER MOD Single : A 43 SER OG : rot -81:sc= 0.151 USER MOD Single : A 51 CYS SG : rot -170:sc= -3.44! USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ -136:sc= -0.502 (180deg=-2.39!) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.186 K(o=-0.19,f=-2.1) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 30:sc= -0.825 USER MOD Single : A 74 GLN : amide:sc= -0.197 X(o=-0.2,f=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0654 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 GLN : amide:sc= -0.619 X(o=-0.62,f=-0.89) USER MOD Single : A 86 THR OG1 : rot 180:sc=-0.00378 USER MOD Single : A 94 TYR OH : rot -140:sc= -0.451 USER MOD Single : A 96 GLN : amide:sc= -0.309 X(o=-0.31,f=-0.0027) USER MOD Single : A 98 ASN : amide:sc= -0.327 X(o=-0.33,f=-0.037) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.079) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.058 -11.030 -40.161 1.00 0.00 N ATOM 2 CA MET A 1 14.877 -9.853 -39.803 1.00 0.00 C ATOM 3 C MET A 1 14.039 -8.854 -38.989 1.00 0.00 C ATOM 4 O MET A 1 12.986 -8.416 -39.458 1.00 0.00 O ATOM 5 CB MET A 1 15.436 -9.175 -41.081 1.00 0.00 C ATOM 6 CG MET A 1 16.323 -7.938 -40.813 1.00 0.00 C ATOM 7 SD MET A 1 17.816 -8.308 -39.856 1.00 0.00 S ATOM 8 CE MET A 1 18.709 -9.405 -40.964 1.00 0.00 C ATOM 0 H1 MET A 1 14.634 -11.699 -40.711 1.00 0.00 H new ATOM 0 H2 MET A 1 13.721 -11.495 -39.294 1.00 0.00 H new ATOM 0 H3 MET A 1 13.243 -10.725 -40.730 1.00 0.00 H new ATOM 0 HA MET A 1 15.717 -10.184 -39.193 1.00 0.00 H new ATOM 0 HB2 MET A 1 16.016 -9.908 -41.642 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.600 -8.877 -41.714 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.613 -7.496 -41.766 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.736 -7.190 -40.280 1.00 0.00 H new ATOM 0 HE1 MET A 1 19.733 -9.524 -40.611 1.00 0.00 H new ATOM 0 HE2 MET A 1 18.218 -10.378 -40.987 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.718 -8.980 -41.968 1.00 0.00 H new ATOM 20 N GLY A 2 14.489 -8.551 -37.753 1.00 0.00 N ATOM 21 CA GLY A 2 13.969 -7.421 -36.970 1.00 0.00 C ATOM 22 C GLY A 2 12.718 -7.719 -36.144 1.00 0.00 C ATOM 23 O GLY A 2 12.625 -7.276 -34.987 1.00 0.00 O ATOM 0 H GLY A 2 15.218 -9.082 -37.276 1.00 0.00 H new ATOM 0 HA2 GLY A 2 14.754 -7.074 -36.298 1.00 0.00 H new ATOM 0 HA3 GLY A 2 13.747 -6.600 -37.651 1.00 0.00 H new ATOM 27 N HIS A 3 11.763 -8.463 -36.747 1.00 0.00 N ATOM 28 CA HIS A 3 10.407 -8.681 -36.195 1.00 0.00 C ATOM 29 C HIS A 3 10.417 -9.241 -34.751 1.00 0.00 C ATOM 30 O HIS A 3 10.637 -10.433 -34.531 1.00 0.00 O ATOM 31 CB HIS A 3 9.585 -9.614 -37.131 1.00 0.00 C ATOM 32 CG HIS A 3 9.331 -9.057 -38.507 1.00 0.00 C ATOM 33 ND1 HIS A 3 10.185 -9.258 -39.569 1.00 0.00 N ATOM 34 CD2 HIS A 3 8.300 -8.325 -38.996 1.00 0.00 C ATOM 35 CE1 HIS A 3 9.699 -8.673 -40.643 1.00 0.00 C ATOM 36 NE2 HIS A 3 8.554 -8.104 -40.325 1.00 0.00 N ATOM 0 H HIS A 3 11.914 -8.933 -37.639 1.00 0.00 H new ATOM 0 HA HIS A 3 9.932 -7.701 -36.144 1.00 0.00 H new ATOM 0 HB2 HIS A 3 10.112 -10.563 -37.229 1.00 0.00 H new ATOM 0 HB3 HIS A 3 8.627 -9.829 -36.658 1.00 0.00 H new ATOM 0 HD1 HIS A 3 11.060 -9.780 -39.529 1.00 0.00 H new ATOM 0 HD2 HIS A 3 7.439 -7.980 -38.442 1.00 0.00 H new ATOM 0 HE1 HIS A 3 10.160 -8.661 -41.619 1.00 0.00 H new ATOM 45 N HIS A 4 10.231 -8.332 -33.782 1.00 0.00 N ATOM 46 CA HIS A 4 10.001 -8.660 -32.362 1.00 0.00 C ATOM 47 C HIS A 4 8.866 -7.753 -31.855 1.00 0.00 C ATOM 48 O HIS A 4 7.759 -8.232 -31.569 1.00 0.00 O ATOM 49 CB HIS A 4 11.284 -8.461 -31.504 1.00 0.00 C ATOM 50 CG HIS A 4 12.444 -9.345 -31.889 1.00 0.00 C ATOM 51 ND1 HIS A 4 13.505 -8.908 -32.658 1.00 0.00 N ATOM 52 CD2 HIS A 4 12.697 -10.649 -31.614 1.00 0.00 C ATOM 53 CE1 HIS A 4 14.358 -9.900 -32.833 1.00 0.00 C ATOM 54 NE2 HIS A 4 13.894 -10.964 -32.211 1.00 0.00 N ATOM 0 H HIS A 4 10.236 -7.328 -33.964 1.00 0.00 H new ATOM 0 HA HIS A 4 9.729 -9.712 -32.271 1.00 0.00 H new ATOM 0 HB2 HIS A 4 11.598 -7.420 -31.580 1.00 0.00 H new ATOM 0 HB3 HIS A 4 11.037 -8.644 -30.458 1.00 0.00 H new ATOM 0 HD1 HIS A 4 13.613 -7.965 -33.032 1.00 0.00 H new ATOM 0 HD2 HIS A 4 12.075 -11.315 -31.035 1.00 0.00 H new ATOM 0 HE1 HIS A 4 15.281 -9.848 -33.392 1.00 0.00 H new ATOM 63 N HIS A 5 9.176 -6.427 -31.795 1.00 0.00 N ATOM 64 CA HIS A 5 8.231 -5.350 -31.440 1.00 0.00 C ATOM 65 C HIS A 5 7.497 -5.670 -30.111 1.00 0.00 C ATOM 66 O HIS A 5 6.267 -5.751 -30.057 1.00 0.00 O ATOM 67 CB HIS A 5 7.275 -5.073 -32.653 1.00 0.00 C ATOM 68 CG HIS A 5 6.359 -3.877 -32.501 1.00 0.00 C ATOM 69 ND1 HIS A 5 6.773 -2.574 -32.711 1.00 0.00 N ATOM 70 CD2 HIS A 5 5.046 -3.794 -32.168 1.00 0.00 C ATOM 71 CE1 HIS A 5 5.756 -1.754 -32.512 1.00 0.00 C ATOM 72 NE2 HIS A 5 4.701 -2.470 -32.184 1.00 0.00 N ATOM 0 H HIS A 5 10.113 -6.079 -31.998 1.00 0.00 H new ATOM 0 HA HIS A 5 8.771 -4.423 -31.248 1.00 0.00 H new ATOM 0 HB2 HIS A 5 7.882 -4.932 -33.547 1.00 0.00 H new ATOM 0 HB3 HIS A 5 6.662 -5.959 -32.820 1.00 0.00 H new ATOM 0 HD2 HIS A 5 4.393 -4.622 -31.933 1.00 0.00 H new ATOM 0 HE1 HIS A 5 5.785 -0.678 -32.603 1.00 0.00 H new ATOM 0 HE2 HIS A 5 3.775 -2.097 -31.975 1.00 0.00 H new ATOM 81 N HIS A 6 8.297 -5.920 -29.050 1.00 0.00 N ATOM 82 CA HIS A 6 7.801 -6.262 -27.698 1.00 0.00 C ATOM 83 C HIS A 6 8.799 -5.763 -26.643 1.00 0.00 C ATOM 84 O HIS A 6 10.000 -6.022 -26.753 1.00 0.00 O ATOM 85 CB HIS A 6 7.602 -7.800 -27.531 1.00 0.00 C ATOM 86 CG HIS A 6 6.378 -8.362 -28.214 1.00 0.00 C ATOM 87 ND1 HIS A 6 6.426 -9.196 -29.309 1.00 0.00 N ATOM 88 CD2 HIS A 6 5.062 -8.216 -27.923 1.00 0.00 C ATOM 89 CE1 HIS A 6 5.203 -9.539 -29.655 1.00 0.00 C ATOM 90 NE2 HIS A 6 4.359 -8.960 -28.834 1.00 0.00 N ATOM 0 H HIS A 6 9.315 -5.890 -29.109 1.00 0.00 H new ATOM 0 HA HIS A 6 6.834 -5.777 -27.563 1.00 0.00 H new ATOM 0 HB2 HIS A 6 8.483 -8.310 -27.920 1.00 0.00 H new ATOM 0 HB3 HIS A 6 7.544 -8.031 -26.467 1.00 0.00 H new ATOM 0 HD1 HIS A 6 7.278 -9.501 -29.779 1.00 0.00 H new ATOM 0 HD2 HIS A 6 4.645 -7.623 -27.122 1.00 0.00 H new ATOM 0 HE1 HIS A 6 4.939 -10.188 -30.477 1.00 0.00 H new ATOM 99 N HIS A 7 8.291 -5.042 -25.634 1.00 0.00 N ATOM 100 CA HIS A 7 9.064 -4.607 -24.454 1.00 0.00 C ATOM 101 C HIS A 7 8.255 -4.916 -23.193 1.00 0.00 C ATOM 102 O HIS A 7 7.022 -4.850 -23.224 1.00 0.00 O ATOM 103 CB HIS A 7 9.420 -3.100 -24.528 1.00 0.00 C ATOM 104 CG HIS A 7 10.419 -2.784 -25.605 1.00 0.00 C ATOM 105 ND1 HIS A 7 10.089 -2.147 -26.777 1.00 0.00 N ATOM 106 CD2 HIS A 7 11.750 -3.036 -25.677 1.00 0.00 C ATOM 107 CE1 HIS A 7 11.165 -2.036 -27.531 1.00 0.00 C ATOM 108 NE2 HIS A 7 12.189 -2.564 -26.888 1.00 0.00 N ATOM 0 H HIS A 7 7.318 -4.738 -25.611 1.00 0.00 H new ATOM 0 HA HIS A 7 10.008 -5.152 -24.428 1.00 0.00 H new ATOM 0 HB2 HIS A 7 8.510 -2.526 -24.704 1.00 0.00 H new ATOM 0 HB3 HIS A 7 9.818 -2.779 -23.565 1.00 0.00 H new ATOM 0 HD2 HIS A 7 12.352 -3.519 -24.921 1.00 0.00 H new ATOM 0 HE1 HIS A 7 11.202 -1.587 -28.513 1.00 0.00 H new ATOM 0 HE2 HIS A 7 13.147 -2.613 -27.234 1.00 0.00 H new ATOM 117 N HIS A 8 8.965 -5.262 -22.103 1.00 0.00 N ATOM 118 CA HIS A 8 8.359 -5.686 -20.824 1.00 0.00 C ATOM 119 C HIS A 8 7.513 -4.556 -20.194 1.00 0.00 C ATOM 120 O HIS A 8 8.014 -3.736 -19.411 1.00 0.00 O ATOM 121 CB HIS A 8 9.456 -6.169 -19.837 1.00 0.00 C ATOM 122 CG HIS A 8 10.236 -7.379 -20.299 1.00 0.00 C ATOM 123 ND1 HIS A 8 11.525 -7.311 -20.786 1.00 0.00 N ATOM 124 CD2 HIS A 8 9.908 -8.695 -20.313 1.00 0.00 C ATOM 125 CE1 HIS A 8 11.954 -8.524 -21.069 1.00 0.00 C ATOM 126 NE2 HIS A 8 10.994 -9.382 -20.792 1.00 0.00 N ATOM 0 H HIS A 8 9.985 -5.255 -22.084 1.00 0.00 H new ATOM 0 HA HIS A 8 7.688 -6.519 -21.033 1.00 0.00 H new ATOM 0 HB2 HIS A 8 10.153 -5.350 -19.662 1.00 0.00 H new ATOM 0 HB3 HIS A 8 8.988 -6.400 -18.880 1.00 0.00 H new ATOM 0 HD2 HIS A 8 8.966 -9.123 -20.004 1.00 0.00 H new ATOM 0 HE1 HIS A 8 12.929 -8.773 -21.462 1.00 0.00 H new ATOM 0 HE2 HIS A 8 11.049 -10.393 -20.914 1.00 0.00 H new ATOM 135 N SER A 9 6.230 -4.502 -20.601 1.00 0.00 N ATOM 136 CA SER A 9 5.244 -3.561 -20.065 1.00 0.00 C ATOM 137 C SER A 9 4.751 -4.079 -18.705 1.00 0.00 C ATOM 138 O SER A 9 3.922 -5.001 -18.639 1.00 0.00 O ATOM 139 CB SER A 9 4.086 -3.373 -21.081 1.00 0.00 C ATOM 140 OG SER A 9 3.555 -4.618 -21.494 1.00 0.00 O ATOM 0 H SER A 9 5.851 -5.120 -21.319 1.00 0.00 H new ATOM 0 HA SER A 9 5.694 -2.580 -19.910 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.297 -2.771 -20.629 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.448 -2.824 -21.950 1.00 0.00 H new ATOM 0 HG SER A 9 3.565 -5.244 -20.740 1.00 0.00 H new ATOM 146 N HIS A 10 5.329 -3.520 -17.629 1.00 0.00 N ATOM 147 CA HIS A 10 5.068 -3.957 -16.241 1.00 0.00 C ATOM 148 C HIS A 10 3.776 -3.312 -15.696 1.00 0.00 C ATOM 149 O HIS A 10 3.798 -2.426 -14.839 1.00 0.00 O ATOM 150 CB HIS A 10 6.311 -3.686 -15.338 1.00 0.00 C ATOM 151 CG HIS A 10 6.831 -2.273 -15.346 1.00 0.00 C ATOM 152 ND1 HIS A 10 6.374 -1.297 -14.488 1.00 0.00 N ATOM 153 CD2 HIS A 10 7.784 -1.684 -16.109 1.00 0.00 C ATOM 154 CE1 HIS A 10 7.018 -0.170 -14.723 1.00 0.00 C ATOM 155 NE2 HIS A 10 7.882 -0.376 -15.700 1.00 0.00 N ATOM 0 H HIS A 10 5.994 -2.749 -17.694 1.00 0.00 H new ATOM 0 HA HIS A 10 4.903 -5.034 -16.233 1.00 0.00 H new ATOM 0 HB2 HIS A 10 6.057 -3.954 -14.312 1.00 0.00 H new ATOM 0 HB3 HIS A 10 7.116 -4.351 -15.651 1.00 0.00 H new ATOM 0 HD1 HIS A 10 5.650 -1.426 -13.781 1.00 0.00 H new ATOM 0 HD2 HIS A 10 8.359 -2.155 -16.892 1.00 0.00 H new ATOM 0 HE1 HIS A 10 6.864 0.764 -14.204 1.00 0.00 H new ATOM 164 N MET A 11 2.642 -3.761 -16.245 1.00 0.00 N ATOM 165 CA MET A 11 1.305 -3.333 -15.810 1.00 0.00 C ATOM 166 C MET A 11 0.769 -4.307 -14.742 1.00 0.00 C ATOM 167 O MET A 11 0.754 -5.525 -14.969 1.00 0.00 O ATOM 168 CB MET A 11 0.345 -3.255 -17.029 1.00 0.00 C ATOM 169 CG MET A 11 -1.133 -3.038 -16.661 1.00 0.00 C ATOM 170 SD MET A 11 -1.377 -1.663 -15.512 1.00 0.00 S ATOM 171 CE MET A 11 -3.109 -1.854 -15.100 1.00 0.00 C ATOM 0 H MET A 11 2.625 -4.436 -17.009 1.00 0.00 H new ATOM 0 HA MET A 11 1.369 -2.339 -15.368 1.00 0.00 H new ATOM 0 HB2 MET A 11 0.668 -2.442 -17.679 1.00 0.00 H new ATOM 0 HB3 MET A 11 0.432 -4.177 -17.604 1.00 0.00 H new ATOM 0 HG2 MET A 11 -1.705 -2.851 -17.570 1.00 0.00 H new ATOM 0 HG3 MET A 11 -1.530 -3.951 -16.217 1.00 0.00 H new ATOM 0 HE1 MET A 11 -3.589 -0.875 -15.082 1.00 0.00 H new ATOM 0 HE2 MET A 11 -3.594 -2.482 -15.847 1.00 0.00 H new ATOM 0 HE3 MET A 11 -3.200 -2.321 -14.119 1.00 0.00 H new ATOM 181 N SER A 12 0.319 -3.750 -13.597 1.00 0.00 N ATOM 182 CA SER A 12 -0.169 -4.524 -12.432 1.00 0.00 C ATOM 183 C SER A 12 -0.767 -3.534 -11.391 1.00 0.00 C ATOM 184 O SER A 12 -1.404 -2.542 -11.779 1.00 0.00 O ATOM 185 CB SER A 12 1.005 -5.379 -11.849 1.00 0.00 C ATOM 186 OG SER A 12 0.552 -6.277 -10.851 1.00 0.00 O ATOM 0 H SER A 12 0.283 -2.741 -13.453 1.00 0.00 H new ATOM 0 HA SER A 12 -0.958 -5.219 -12.721 1.00 0.00 H new ATOM 0 HB2 SER A 12 1.482 -5.939 -12.653 1.00 0.00 H new ATOM 0 HB3 SER A 12 1.763 -4.718 -11.428 1.00 0.00 H new ATOM 0 HG SER A 12 1.310 -6.796 -10.510 1.00 0.00 H new ATOM 192 N TRP A 13 -0.544 -3.789 -10.077 1.00 0.00 N ATOM 193 CA TRP A 13 -0.916 -2.851 -8.992 1.00 0.00 C ATOM 194 C TRP A 13 0.009 -1.611 -9.023 1.00 0.00 C ATOM 195 O TRP A 13 -0.326 -0.557 -8.472 1.00 0.00 O ATOM 196 CB TRP A 13 -0.865 -3.555 -7.595 1.00 0.00 C ATOM 197 CG TRP A 13 0.292 -4.524 -7.403 1.00 0.00 C ATOM 198 CD1 TRP A 13 0.222 -5.887 -7.492 1.00 0.00 C ATOM 199 CD2 TRP A 13 1.672 -4.223 -7.109 1.00 0.00 C ATOM 200 NE1 TRP A 13 1.450 -6.441 -7.276 1.00 0.00 N ATOM 201 CE2 TRP A 13 2.357 -5.447 -7.043 1.00 0.00 C ATOM 202 CE3 TRP A 13 2.393 -3.047 -6.892 1.00 0.00 C ATOM 203 CZ2 TRP A 13 3.726 -5.528 -6.780 1.00 0.00 C ATOM 204 CZ3 TRP A 13 3.749 -3.126 -6.634 1.00 0.00 C ATOM 205 CH2 TRP A 13 4.404 -4.357 -6.577 1.00 0.00 C ATOM 0 H TRP A 13 -0.104 -4.646 -9.743 1.00 0.00 H new ATOM 0 HA TRP A 13 -1.943 -2.523 -9.155 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -0.810 -2.789 -6.821 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -1.800 -4.095 -7.443 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -0.678 -6.446 -7.703 1.00 0.00 H new ATOM 0 HE1 TRP A 13 1.658 -7.440 -7.287 1.00 0.00 H new ATOM 0 HE3 TRP A 13 1.898 -2.088 -6.925 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 4.232 -6.481 -6.738 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 4.312 -2.218 -6.474 1.00 0.00 H new ATOM 0 HH2 TRP A 13 5.463 -4.386 -6.369 1.00 0.00 H new ATOM 216 N TYR A 14 1.169 -1.752 -9.702 1.00 0.00 N ATOM 217 CA TYR A 14 2.147 -0.675 -9.845 1.00 0.00 C ATOM 218 C TYR A 14 1.771 0.207 -11.044 1.00 0.00 C ATOM 219 O TYR A 14 1.466 -0.297 -12.132 1.00 0.00 O ATOM 220 CB TYR A 14 3.587 -1.207 -9.990 1.00 0.00 C ATOM 221 CG TYR A 14 4.642 -0.084 -10.028 1.00 0.00 C ATOM 222 CD1 TYR A 14 4.970 0.639 -8.868 1.00 0.00 C ATOM 223 CD2 TYR A 14 5.291 0.276 -11.217 1.00 0.00 C ATOM 224 CE1 TYR A 14 5.899 1.667 -8.900 1.00 0.00 C ATOM 225 CE2 TYR A 14 6.222 1.300 -11.247 1.00 0.00 C ATOM 226 CZ TYR A 14 6.523 1.991 -10.091 1.00 0.00 C ATOM 227 OH TYR A 14 7.451 3.015 -10.141 1.00 0.00 O ATOM 0 H TYR A 14 1.444 -2.619 -10.163 1.00 0.00 H new ATOM 0 HA TYR A 14 2.124 -0.079 -8.932 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.807 -1.877 -9.158 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.660 -1.798 -10.903 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.489 0.389 -7.934 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.060 -0.256 -12.128 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.135 2.213 -7.998 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.712 1.558 -12.174 1.00 0.00 H new ATOM 0 HH TYR A 14 7.790 3.105 -11.056 1.00 0.00 H new ATOM 237 N HIS A 15 1.749 1.520 -10.802 1.00 0.00 N ATOM 238 CA HIS A 15 1.463 2.559 -11.806 1.00 0.00 C ATOM 239 C HIS A 15 2.575 3.608 -11.705 1.00 0.00 C ATOM 240 O HIS A 15 3.018 3.917 -10.600 1.00 0.00 O ATOM 241 CB HIS A 15 0.049 3.164 -11.538 1.00 0.00 C ATOM 242 CG HIS A 15 -1.043 2.138 -11.651 1.00 0.00 C ATOM 243 ND1 HIS A 15 -1.687 1.851 -12.830 1.00 0.00 N ATOM 244 CD2 HIS A 15 -1.549 1.271 -10.736 1.00 0.00 C ATOM 245 CE1 HIS A 15 -2.528 0.856 -12.642 1.00 0.00 C ATOM 246 NE2 HIS A 15 -2.461 0.486 -11.385 1.00 0.00 N ATOM 0 H HIS A 15 1.935 1.905 -9.876 1.00 0.00 H new ATOM 0 HA HIS A 15 1.447 2.155 -12.818 1.00 0.00 H new ATOM 0 HB2 HIS A 15 0.028 3.605 -10.541 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -0.139 3.970 -12.247 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -1.537 2.335 -13.715 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -1.281 1.213 -9.691 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -3.166 0.418 -13.396 1.00 0.00 H new ATOM 255 N ARG A 16 3.040 4.135 -12.849 1.00 0.00 N ATOM 256 CA ARG A 16 4.257 4.976 -12.900 1.00 0.00 C ATOM 257 C ARG A 16 4.072 6.319 -12.152 1.00 0.00 C ATOM 258 O ARG A 16 4.860 6.634 -11.253 1.00 0.00 O ATOM 259 CB ARG A 16 4.714 5.192 -14.362 1.00 0.00 C ATOM 260 CG ARG A 16 5.147 3.892 -15.086 1.00 0.00 C ATOM 261 CD ARG A 16 5.684 4.144 -16.509 1.00 0.00 C ATOM 262 NE ARG A 16 4.681 4.791 -17.388 1.00 0.00 N ATOM 263 CZ ARG A 16 4.871 5.915 -18.108 1.00 0.00 C ATOM 264 NH1 ARG A 16 6.022 6.572 -18.051 1.00 0.00 N ATOM 265 NH2 ARG A 16 3.893 6.379 -18.866 1.00 0.00 N ATOM 0 H ARG A 16 2.594 3.996 -13.755 1.00 0.00 H new ATOM 0 HA ARG A 16 5.048 4.439 -12.377 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.900 5.654 -14.922 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.547 5.895 -14.371 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.916 3.394 -14.496 1.00 0.00 H new ATOM 0 HG3 ARG A 16 4.297 3.212 -15.140 1.00 0.00 H new ATOM 0 HD2 ARG A 16 6.572 4.773 -16.452 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.992 3.196 -16.951 1.00 0.00 H new ATOM 0 HE ARG A 16 3.765 4.346 -17.454 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.777 6.228 -17.457 1.00 0.00 H new ATOM 0 HH12 ARG A 16 6.152 7.421 -18.601 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.000 5.887 -18.904 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.031 7.229 -19.413 1.00 0.00 H new ATOM 279 N ASP A 17 3.017 7.084 -12.494 1.00 0.00 N ATOM 280 CA ASP A 17 2.686 8.338 -11.774 1.00 0.00 C ATOM 281 C ASP A 17 1.203 8.690 -11.916 1.00 0.00 C ATOM 282 O ASP A 17 0.806 9.566 -12.695 1.00 0.00 O ATOM 283 CB ASP A 17 3.598 9.520 -12.205 1.00 0.00 C ATOM 284 CG ASP A 17 3.336 10.829 -11.422 1.00 0.00 C ATOM 285 OD1 ASP A 17 3.298 10.795 -10.165 1.00 0.00 O ATOM 286 OD2 ASP A 17 3.151 11.896 -12.056 1.00 0.00 O ATOM 0 H ASP A 17 2.380 6.861 -13.259 1.00 0.00 H new ATOM 0 HA ASP A 17 2.882 8.159 -10.717 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.640 9.230 -12.071 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.454 9.709 -13.269 1.00 0.00 H new ATOM 291 N LEU A 18 0.384 7.908 -11.221 1.00 0.00 N ATOM 292 CA LEU A 18 -0.983 8.295 -10.880 1.00 0.00 C ATOM 293 C LEU A 18 -0.921 8.955 -9.484 1.00 0.00 C ATOM 294 O LEU A 18 -0.256 8.426 -8.583 1.00 0.00 O ATOM 295 CB LEU A 18 -1.941 7.069 -10.947 1.00 0.00 C ATOM 296 CG LEU A 18 -3.482 7.391 -10.885 1.00 0.00 C ATOM 297 CD1 LEU A 18 -4.335 6.319 -11.580 1.00 0.00 C ATOM 298 CD2 LEU A 18 -3.968 7.563 -9.451 1.00 0.00 C ATOM 0 H LEU A 18 0.649 6.985 -10.877 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.394 9.008 -11.595 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.740 6.527 -11.871 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.697 6.397 -10.124 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.606 8.332 -11.421 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.388 6.589 -11.508 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.049 6.250 -12.629 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.174 5.356 -11.096 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.035 7.784 -9.453 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.788 6.644 -8.893 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.428 8.385 -8.980 1.00 0.00 H new ATOM 310 N SER A 19 -1.614 10.100 -9.322 1.00 0.00 N ATOM 311 CA SER A 19 -1.551 10.933 -8.103 1.00 0.00 C ATOM 312 C SER A 19 -2.173 10.182 -6.921 1.00 0.00 C ATOM 313 O SER A 19 -3.105 9.423 -7.116 1.00 0.00 O ATOM 314 CB SER A 19 -2.284 12.272 -8.343 1.00 0.00 C ATOM 315 OG SER A 19 -2.249 13.096 -7.189 1.00 0.00 O ATOM 0 H SER A 19 -2.237 10.475 -10.037 1.00 0.00 H new ATOM 0 HA SER A 19 -0.508 11.145 -7.867 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.823 12.796 -9.180 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.320 12.077 -8.621 1.00 0.00 H new ATOM 0 HG SER A 19 -2.719 13.936 -7.373 1.00 0.00 H new ATOM 321 N ARG A 20 -1.652 10.388 -5.705 1.00 0.00 N ATOM 322 CA ARG A 20 -2.116 9.665 -4.508 1.00 0.00 C ATOM 323 C ARG A 20 -3.575 10.021 -4.182 1.00 0.00 C ATOM 324 O ARG A 20 -4.366 9.147 -3.837 1.00 0.00 O ATOM 325 CB ARG A 20 -1.201 9.954 -3.289 1.00 0.00 C ATOM 326 CG ARG A 20 0.297 9.563 -3.466 1.00 0.00 C ATOM 327 CD ARG A 20 1.230 10.734 -3.892 1.00 0.00 C ATOM 328 NE ARG A 20 1.161 11.080 -5.333 1.00 0.00 N ATOM 329 CZ ARG A 20 1.940 10.539 -6.297 1.00 0.00 C ATOM 330 NH1 ARG A 20 2.798 9.566 -6.010 1.00 0.00 N ATOM 331 NH2 ARG A 20 1.870 10.995 -7.544 1.00 0.00 N ATOM 0 H ARG A 20 -0.902 11.055 -5.521 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.064 8.598 -4.726 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.256 11.018 -3.060 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -1.598 9.421 -2.425 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.663 9.148 -2.527 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.366 8.772 -4.213 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.975 11.617 -3.306 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.258 10.472 -3.643 1.00 0.00 H new ATOM 0 HE ARG A 20 0.474 11.778 -5.618 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.874 9.219 -5.054 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.380 9.166 -6.746 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.228 11.754 -7.774 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.458 10.586 -8.270 1.00 0.00 H new ATOM 345 N ALA A 21 -3.906 11.317 -4.293 1.00 0.00 N ATOM 346 CA ALA A 21 -5.291 11.818 -4.185 1.00 0.00 C ATOM 347 C ALA A 21 -6.227 11.104 -5.189 1.00 0.00 C ATOM 348 O ALA A 21 -7.263 10.530 -4.806 1.00 0.00 O ATOM 349 CB ALA A 21 -5.299 13.342 -4.383 1.00 0.00 C ATOM 0 H ALA A 21 -3.220 12.053 -4.461 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.674 11.595 -3.189 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.321 13.714 -4.304 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.681 13.812 -3.617 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.901 13.583 -5.369 1.00 0.00 H new ATOM 355 N ALA A 22 -5.799 11.088 -6.462 1.00 0.00 N ATOM 356 CA ALA A 22 -6.537 10.427 -7.556 1.00 0.00 C ATOM 357 C ALA A 22 -6.622 8.902 -7.345 1.00 0.00 C ATOM 358 O ALA A 22 -7.569 8.279 -7.794 1.00 0.00 O ATOM 359 CB ALA A 22 -5.871 10.745 -8.908 1.00 0.00 C ATOM 0 H ALA A 22 -4.932 11.532 -6.764 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.555 10.816 -7.556 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.422 10.253 -9.710 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.877 11.823 -9.072 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.842 10.384 -8.901 1.00 0.00 H new ATOM 365 N ALA A 23 -5.603 8.336 -6.663 1.00 0.00 N ATOM 366 CA ALA A 23 -5.490 6.890 -6.371 1.00 0.00 C ATOM 367 C ALA A 23 -6.541 6.428 -5.352 1.00 0.00 C ATOM 368 O ALA A 23 -7.153 5.382 -5.533 1.00 0.00 O ATOM 369 CB ALA A 23 -4.074 6.563 -5.871 1.00 0.00 C ATOM 0 H ALA A 23 -4.823 8.880 -6.294 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.678 6.347 -7.298 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.000 5.496 -5.659 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.347 6.832 -6.637 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.869 7.129 -4.962 1.00 0.00 H new ATOM 375 N GLU A 24 -6.707 7.200 -4.262 1.00 0.00 N ATOM 376 CA GLU A 24 -7.747 6.957 -3.233 1.00 0.00 C ATOM 377 C GLU A 24 -9.154 6.934 -3.867 1.00 0.00 C ATOM 378 O GLU A 24 -9.972 6.050 -3.585 1.00 0.00 O ATOM 379 CB GLU A 24 -7.663 8.066 -2.149 1.00 0.00 C ATOM 380 CG GLU A 24 -6.288 8.180 -1.465 1.00 0.00 C ATOM 381 CD GLU A 24 -6.206 9.346 -0.466 1.00 0.00 C ATOM 382 OE1 GLU A 24 -6.160 10.513 -0.912 1.00 0.00 O ATOM 383 OE2 GLU A 24 -6.207 9.107 0.762 1.00 0.00 O ATOM 0 H GLU A 24 -6.124 8.014 -4.065 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.571 5.984 -2.775 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.909 9.024 -2.606 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.419 7.872 -1.388 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.069 7.248 -0.945 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.519 8.308 -2.227 1.00 0.00 H new ATOM 390 N GLU A 25 -9.385 7.914 -4.752 1.00 0.00 N ATOM 391 CA GLU A 25 -10.646 8.038 -5.515 1.00 0.00 C ATOM 392 C GLU A 25 -10.789 6.868 -6.513 1.00 0.00 C ATOM 393 O GLU A 25 -11.880 6.308 -6.685 1.00 0.00 O ATOM 394 CB GLU A 25 -10.699 9.394 -6.256 1.00 0.00 C ATOM 395 CG GLU A 25 -10.564 10.625 -5.342 1.00 0.00 C ATOM 396 CD GLU A 25 -10.618 11.944 -6.123 1.00 0.00 C ATOM 397 OE1 GLU A 25 -9.658 12.246 -6.861 1.00 0.00 O ATOM 398 OE2 GLU A 25 -11.633 12.673 -6.030 1.00 0.00 O ATOM 0 H GLU A 25 -8.706 8.646 -4.963 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.480 7.997 -4.814 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.902 9.419 -6.999 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.642 9.461 -6.798 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.363 10.612 -4.600 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.622 10.567 -4.797 1.00 0.00 H new ATOM 405 N LEU A 26 -9.655 6.507 -7.141 1.00 0.00 N ATOM 406 CA LEU A 26 -9.559 5.401 -8.119 1.00 0.00 C ATOM 407 C LEU A 26 -9.984 4.081 -7.451 1.00 0.00 C ATOM 408 O LEU A 26 -10.726 3.301 -8.036 1.00 0.00 O ATOM 409 CB LEU A 26 -8.094 5.341 -8.674 1.00 0.00 C ATOM 410 CG LEU A 26 -7.790 4.499 -9.957 1.00 0.00 C ATOM 411 CD1 LEU A 26 -7.779 2.987 -9.691 1.00 0.00 C ATOM 412 CD2 LEU A 26 -8.753 4.863 -11.096 1.00 0.00 C ATOM 0 H LEU A 26 -8.765 6.980 -6.983 1.00 0.00 H new ATOM 0 HA LEU A 26 -10.232 5.569 -8.960 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.778 6.365 -8.873 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.457 4.960 -7.875 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.779 4.759 -10.269 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.563 2.456 -10.618 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.013 2.753 -8.952 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.754 2.677 -9.314 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.519 4.263 -11.976 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -9.778 4.665 -10.783 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.646 5.920 -11.339 1.00 0.00 H new ATOM 424 N LEU A 27 -9.525 3.876 -6.203 1.00 0.00 N ATOM 425 CA LEU A 27 -9.853 2.686 -5.402 1.00 0.00 C ATOM 426 C LEU A 27 -11.350 2.658 -5.072 1.00 0.00 C ATOM 427 O LEU A 27 -11.978 1.619 -5.200 1.00 0.00 O ATOM 428 CB LEU A 27 -9.019 2.643 -4.096 1.00 0.00 C ATOM 429 CG LEU A 27 -7.486 2.441 -4.286 1.00 0.00 C ATOM 430 CD1 LEU A 27 -6.749 2.503 -2.937 1.00 0.00 C ATOM 431 CD2 LEU A 27 -7.176 1.129 -5.040 1.00 0.00 C ATOM 0 H LEU A 27 -8.914 4.535 -5.721 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.604 1.806 -5.995 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.181 3.573 -3.551 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.399 1.837 -3.469 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.119 3.261 -4.903 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.681 2.359 -3.099 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.918 3.475 -2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.125 1.719 -2.280 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.097 1.021 -5.154 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.567 0.283 -4.475 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.644 1.155 -6.024 1.00 0.00 H new ATOM 443 N ALA A 28 -11.895 3.825 -4.683 1.00 0.00 N ATOM 444 CA ALA A 28 -13.323 3.985 -4.301 1.00 0.00 C ATOM 445 C ALA A 28 -14.279 3.566 -5.430 1.00 0.00 C ATOM 446 O ALA A 28 -15.358 3.022 -5.176 1.00 0.00 O ATOM 447 CB ALA A 28 -13.589 5.435 -3.883 1.00 0.00 C ATOM 0 H ALA A 28 -11.361 4.692 -4.622 1.00 0.00 H new ATOM 0 HA ALA A 28 -13.517 3.321 -3.459 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -14.637 5.547 -3.604 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.958 5.690 -3.032 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -13.362 6.101 -4.715 1.00 0.00 H new ATOM 453 N ARG A 29 -13.864 3.825 -6.674 1.00 0.00 N ATOM 454 CA ARG A 29 -14.652 3.488 -7.866 1.00 0.00 C ATOM 455 C ARG A 29 -14.366 2.052 -8.357 1.00 0.00 C ATOM 456 O ARG A 29 -15.290 1.314 -8.716 1.00 0.00 O ATOM 457 CB ARG A 29 -14.367 4.508 -8.989 1.00 0.00 C ATOM 458 CG ARG A 29 -15.309 4.394 -10.210 1.00 0.00 C ATOM 459 CD ARG A 29 -14.897 5.326 -11.363 1.00 0.00 C ATOM 460 NE ARG A 29 -13.552 4.993 -11.890 1.00 0.00 N ATOM 461 CZ ARG A 29 -12.648 5.869 -12.346 1.00 0.00 C ATOM 462 NH1 ARG A 29 -12.870 7.174 -12.298 1.00 0.00 N ATOM 463 NH2 ARG A 29 -11.510 5.424 -12.838 1.00 0.00 N ATOM 0 H ARG A 29 -12.973 4.274 -6.884 1.00 0.00 H new ATOM 0 HA ARG A 29 -15.707 3.534 -7.594 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -14.446 5.514 -8.578 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -13.338 4.381 -9.326 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -15.315 3.363 -10.565 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -16.327 4.631 -9.902 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -15.630 5.255 -12.167 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -14.905 6.359 -11.015 1.00 0.00 H new ATOM 0 HE ARG A 29 -13.292 4.007 -11.907 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -13.743 7.529 -11.908 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -12.168 7.824 -12.651 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -11.325 4.421 -12.869 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.814 6.082 -13.188 1.00 0.00 H new ATOM 477 N ALA A 30 -13.080 1.666 -8.371 1.00 0.00 N ATOM 478 CA ALA A 30 -12.625 0.441 -9.063 1.00 0.00 C ATOM 479 C ALA A 30 -12.866 -0.836 -8.227 1.00 0.00 C ATOM 480 O ALA A 30 -13.624 -1.721 -8.652 1.00 0.00 O ATOM 481 CB ALA A 30 -11.146 0.568 -9.451 1.00 0.00 C ATOM 0 H ALA A 30 -12.332 2.184 -7.910 1.00 0.00 H new ATOM 0 HA ALA A 30 -13.224 0.340 -9.968 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.824 -0.341 -9.960 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.016 1.422 -10.116 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.545 0.713 -8.553 1.00 0.00 H new ATOM 487 N GLY A 31 -12.232 -0.928 -7.036 1.00 0.00 N ATOM 488 CA GLY A 31 -12.377 -2.108 -6.159 1.00 0.00 C ATOM 489 C GLY A 31 -13.455 -1.912 -5.094 1.00 0.00 C ATOM 490 O GLY A 31 -14.111 -2.864 -4.664 1.00 0.00 O ATOM 0 H GLY A 31 -11.619 -0.203 -6.663 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -12.623 -2.980 -6.765 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.424 -2.316 -5.673 1.00 0.00 H new ATOM 494 N ARG A 32 -13.572 -0.646 -4.663 1.00 0.00 N ATOM 495 CA ARG A 32 -14.581 -0.119 -3.719 1.00 0.00 C ATOM 496 C ARG A 32 -14.431 -0.643 -2.255 1.00 0.00 C ATOM 497 O ARG A 32 -15.165 -0.192 -1.367 1.00 0.00 O ATOM 498 CB ARG A 32 -16.022 -0.331 -4.279 1.00 0.00 C ATOM 499 CG ARG A 32 -17.133 0.478 -3.560 1.00 0.00 C ATOM 500 CD ARG A 32 -18.539 0.240 -4.129 1.00 0.00 C ATOM 501 NE ARG A 32 -19.581 0.878 -3.304 1.00 0.00 N ATOM 502 CZ ARG A 32 -20.272 1.982 -3.626 1.00 0.00 C ATOM 503 NH1 ARG A 32 -20.013 2.660 -4.750 1.00 0.00 N ATOM 504 NH2 ARG A 32 -21.224 2.400 -2.804 1.00 0.00 N ATOM 0 H ARG A 32 -12.931 0.081 -4.979 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.393 0.952 -3.641 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -16.027 -0.065 -5.336 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -16.267 -1.391 -4.216 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -17.131 0.219 -2.501 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -16.898 1.540 -3.629 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -18.590 0.631 -5.145 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -18.729 -0.832 -4.190 1.00 0.00 H new ATOM 0 HE ARG A 32 -19.796 0.441 -2.408 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -19.278 2.340 -5.381 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -20.550 3.497 -4.976 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -21.419 1.885 -1.946 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -21.761 3.237 -3.030 1.00 0.00 H new ATOM 518 N ASP A 33 -13.414 -1.500 -1.974 1.00 0.00 N ATOM 519 CA ASP A 33 -13.230 -2.140 -0.645 1.00 0.00 C ATOM 520 C ASP A 33 -12.056 -3.127 -0.713 1.00 0.00 C ATOM 521 O ASP A 33 -12.030 -3.976 -1.603 1.00 0.00 O ATOM 522 CB ASP A 33 -14.497 -2.902 -0.151 1.00 0.00 C ATOM 523 CG ASP A 33 -14.336 -3.431 1.288 1.00 0.00 C ATOM 524 OD1 ASP A 33 -14.459 -2.634 2.237 1.00 0.00 O ATOM 525 OD2 ASP A 33 -14.071 -4.640 1.476 1.00 0.00 O ATOM 0 H ASP A 33 -12.704 -1.765 -2.657 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.033 -1.338 0.066 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -15.359 -2.237 -0.197 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -14.701 -3.736 -0.822 1.00 0.00 H new ATOM 530 N GLY A 34 -11.069 -2.973 0.191 1.00 0.00 N ATOM 531 CA GLY A 34 -9.911 -3.888 0.255 1.00 0.00 C ATOM 532 C GLY A 34 -8.924 -3.673 -0.894 1.00 0.00 C ATOM 533 O GLY A 34 -7.936 -4.398 -1.031 1.00 0.00 O ATOM 0 H GLY A 34 -11.050 -2.226 0.885 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.394 -3.747 1.204 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.266 -4.918 0.236 1.00 0.00 H new ATOM 537 N SER A 35 -9.182 -2.635 -1.688 1.00 0.00 N ATOM 538 CA SER A 35 -8.462 -2.356 -2.930 1.00 0.00 C ATOM 539 C SER A 35 -7.132 -1.659 -2.610 1.00 0.00 C ATOM 540 O SER A 35 -7.110 -0.761 -1.780 1.00 0.00 O ATOM 541 CB SER A 35 -9.369 -1.474 -3.823 1.00 0.00 C ATOM 542 OG SER A 35 -10.062 -0.498 -3.063 1.00 0.00 O ATOM 0 H SER A 35 -9.911 -1.952 -1.482 1.00 0.00 H new ATOM 0 HA SER A 35 -8.228 -3.278 -3.462 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.763 -0.981 -4.583 1.00 0.00 H new ATOM 0 HB3 SER A 35 -10.087 -2.104 -4.348 1.00 0.00 H new ATOM 0 HG SER A 35 -10.623 0.042 -3.658 1.00 0.00 H new ATOM 548 N PHE A 36 -6.038 -2.060 -3.274 1.00 0.00 N ATOM 549 CA PHE A 36 -4.705 -1.473 -3.046 1.00 0.00 C ATOM 550 C PHE A 36 -3.988 -1.237 -4.374 1.00 0.00 C ATOM 551 O PHE A 36 -4.306 -1.866 -5.387 1.00 0.00 O ATOM 552 CB PHE A 36 -3.833 -2.372 -2.125 1.00 0.00 C ATOM 553 CG PHE A 36 -3.267 -3.651 -2.761 1.00 0.00 C ATOM 554 CD1 PHE A 36 -4.023 -4.819 -2.824 1.00 0.00 C ATOM 555 CD2 PHE A 36 -1.961 -3.690 -3.283 1.00 0.00 C ATOM 556 CE1 PHE A 36 -3.498 -5.976 -3.374 1.00 0.00 C ATOM 557 CE2 PHE A 36 -1.442 -4.850 -3.828 1.00 0.00 C ATOM 558 CZ PHE A 36 -2.212 -5.989 -3.877 1.00 0.00 C ATOM 0 H PHE A 36 -6.049 -2.796 -3.980 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.852 -0.517 -2.544 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.999 -1.776 -1.755 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.431 -2.656 -1.259 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.032 -4.822 -2.439 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.353 -2.798 -3.258 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.098 -6.874 -3.410 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.434 -4.862 -4.215 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.811 -6.894 -4.309 1.00 0.00 H new ATOM 568 N LEU A 37 -3.008 -0.329 -4.335 1.00 0.00 N ATOM 569 CA LEU A 37 -2.117 -0.033 -5.456 1.00 0.00 C ATOM 570 C LEU A 37 -0.795 0.545 -4.929 1.00 0.00 C ATOM 571 O LEU A 37 -0.702 0.937 -3.763 1.00 0.00 O ATOM 572 CB LEU A 37 -2.828 0.933 -6.464 1.00 0.00 C ATOM 573 CG LEU A 37 -3.648 2.122 -5.848 1.00 0.00 C ATOM 574 CD1 LEU A 37 -2.752 3.160 -5.159 1.00 0.00 C ATOM 575 CD2 LEU A 37 -4.551 2.792 -6.904 1.00 0.00 C ATOM 0 H LEU A 37 -2.810 0.231 -3.506 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.882 -0.950 -5.997 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.070 1.351 -7.126 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.502 0.341 -7.084 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.286 1.689 -5.078 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.370 3.960 -4.751 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.196 2.683 -4.352 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.053 3.576 -5.884 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.104 3.611 -6.443 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.935 3.181 -7.715 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.253 2.058 -7.301 1.00 0.00 H new ATOM 587 N VAL A 38 0.219 0.594 -5.796 1.00 0.00 N ATOM 588 CA VAL A 38 1.512 1.231 -5.512 1.00 0.00 C ATOM 589 C VAL A 38 1.860 2.113 -6.709 1.00 0.00 C ATOM 590 O VAL A 38 1.717 1.690 -7.842 1.00 0.00 O ATOM 591 CB VAL A 38 2.673 0.187 -5.252 1.00 0.00 C ATOM 592 CG1 VAL A 38 4.045 0.892 -5.073 1.00 0.00 C ATOM 593 CG2 VAL A 38 2.364 -0.705 -4.031 1.00 0.00 C ATOM 0 H VAL A 38 0.166 0.187 -6.730 1.00 0.00 H new ATOM 0 HA VAL A 38 1.420 1.813 -4.595 1.00 0.00 H new ATOM 0 HB VAL A 38 2.733 -0.450 -6.135 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.818 0.144 -4.896 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.285 1.456 -5.975 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.997 1.572 -4.222 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.181 -1.411 -3.880 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.254 -0.082 -3.144 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.438 -1.253 -4.206 1.00 0.00 H new ATOM 603 N ARG A 39 2.231 3.375 -6.467 1.00 0.00 N ATOM 604 CA ARG A 39 2.799 4.252 -7.519 1.00 0.00 C ATOM 605 C ARG A 39 4.183 4.725 -7.093 1.00 0.00 C ATOM 606 O ARG A 39 4.672 4.370 -6.014 1.00 0.00 O ATOM 607 CB ARG A 39 1.881 5.478 -7.888 1.00 0.00 C ATOM 608 CG ARG A 39 1.228 6.233 -6.702 1.00 0.00 C ATOM 609 CD ARG A 39 -0.118 5.607 -6.272 1.00 0.00 C ATOM 610 NE ARG A 39 -1.114 5.580 -7.378 1.00 0.00 N ATOM 611 CZ ARG A 39 -1.492 4.486 -8.081 1.00 0.00 C ATOM 612 NH1 ARG A 39 -0.836 3.337 -7.970 1.00 0.00 N ATOM 613 NH2 ARG A 39 -2.519 4.556 -8.911 1.00 0.00 N ATOM 0 H ARG A 39 2.151 3.821 -5.553 1.00 0.00 H new ATOM 0 HA ARG A 39 2.868 3.654 -8.427 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.476 6.190 -8.460 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.087 5.124 -8.546 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.913 6.233 -5.854 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.068 7.274 -6.982 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.054 4.591 -5.918 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.526 6.172 -5.434 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.552 6.466 -7.629 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.032 3.267 -7.347 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.136 2.524 -8.508 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.026 5.434 -9.022 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.804 3.732 -9.441 1.00 0.00 H new ATOM 627 N ASP A 40 4.815 5.514 -7.968 1.00 0.00 N ATOM 628 CA ASP A 40 6.066 6.212 -7.646 1.00 0.00 C ATOM 629 C ASP A 40 5.707 7.608 -7.110 1.00 0.00 C ATOM 630 O ASP A 40 4.775 8.252 -7.608 1.00 0.00 O ATOM 631 CB ASP A 40 7.002 6.305 -8.880 1.00 0.00 C ATOM 632 CG ASP A 40 8.303 7.087 -8.602 1.00 0.00 C ATOM 633 OD1 ASP A 40 9.019 6.750 -7.633 1.00 0.00 O ATOM 634 OD2 ASP A 40 8.610 8.052 -9.337 1.00 0.00 O ATOM 0 H ASP A 40 4.477 5.687 -8.915 1.00 0.00 H new ATOM 0 HA ASP A 40 6.614 5.652 -6.888 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.255 5.298 -9.212 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.466 6.785 -9.699 1.00 0.00 H new ATOM 639 N SER A 41 6.441 8.044 -6.085 1.00 0.00 N ATOM 640 CA SER A 41 6.249 9.342 -5.421 1.00 0.00 C ATOM 641 C SER A 41 6.713 10.509 -6.312 1.00 0.00 C ATOM 642 O SER A 41 7.449 10.312 -7.280 1.00 0.00 O ATOM 643 CB SER A 41 7.008 9.315 -4.082 1.00 0.00 C ATOM 644 OG SER A 41 6.538 8.247 -3.268 1.00 0.00 O ATOM 0 H SER A 41 7.202 7.497 -5.682 1.00 0.00 H new ATOM 0 HA SER A 41 5.187 9.505 -5.237 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.076 9.199 -4.264 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.875 10.263 -3.562 1.00 0.00 H new ATOM 0 HG SER A 41 6.853 7.394 -3.633 1.00 0.00 H new ATOM 650 N GLU A 42 6.266 11.721 -5.976 1.00 0.00 N ATOM 651 CA GLU A 42 6.585 12.946 -6.749 1.00 0.00 C ATOM 652 C GLU A 42 7.583 13.837 -5.974 1.00 0.00 C ATOM 653 O GLU A 42 8.383 14.564 -6.581 1.00 0.00 O ATOM 654 CB GLU A 42 5.269 13.707 -7.133 1.00 0.00 C ATOM 655 CG GLU A 42 4.105 13.637 -6.105 1.00 0.00 C ATOM 656 CD GLU A 42 4.430 14.223 -4.720 1.00 0.00 C ATOM 657 OE1 GLU A 42 4.543 15.464 -4.605 1.00 0.00 O ATOM 658 OE2 GLU A 42 4.623 13.440 -3.756 1.00 0.00 O ATOM 0 H GLU A 42 5.673 11.892 -5.164 1.00 0.00 H new ATOM 0 HA GLU A 42 7.075 12.664 -7.681 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.517 14.756 -7.298 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.910 13.311 -8.083 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.245 14.166 -6.515 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.809 12.595 -5.983 1.00 0.00 H new ATOM 665 N SER A 43 7.520 13.768 -4.634 1.00 0.00 N ATOM 666 CA SER A 43 8.411 14.520 -3.733 1.00 0.00 C ATOM 667 C SER A 43 9.679 13.701 -3.424 1.00 0.00 C ATOM 668 O SER A 43 10.809 14.151 -3.684 1.00 0.00 O ATOM 669 CB SER A 43 7.647 14.864 -2.431 1.00 0.00 C ATOM 670 OG SER A 43 7.064 13.710 -1.849 1.00 0.00 O ATOM 0 H SER A 43 6.844 13.184 -4.141 1.00 0.00 H new ATOM 0 HA SER A 43 8.722 15.445 -4.218 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.330 15.326 -1.719 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.869 15.596 -2.647 1.00 0.00 H new ATOM 0 HG SER A 43 6.217 13.509 -2.300 1.00 0.00 H new ATOM 676 N VAL A 44 9.475 12.497 -2.861 1.00 0.00 N ATOM 677 CA VAL A 44 10.569 11.626 -2.420 1.00 0.00 C ATOM 678 C VAL A 44 11.037 10.765 -3.604 1.00 0.00 C ATOM 679 O VAL A 44 10.333 9.848 -4.032 1.00 0.00 O ATOM 680 CB VAL A 44 10.136 10.723 -1.212 1.00 0.00 C ATOM 681 CG1 VAL A 44 11.361 9.995 -0.583 1.00 0.00 C ATOM 682 CG2 VAL A 44 9.380 11.556 -0.150 1.00 0.00 C ATOM 0 H VAL A 44 8.547 12.105 -2.701 1.00 0.00 H new ATOM 0 HA VAL A 44 11.394 12.249 -2.074 1.00 0.00 H new ATOM 0 HB VAL A 44 9.458 9.959 -1.591 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.028 9.377 0.251 1.00 0.00 H new ATOM 0 HG12 VAL A 44 11.835 9.364 -1.335 1.00 0.00 H new ATOM 0 HG13 VAL A 44 12.078 10.733 -0.224 1.00 0.00 H new ATOM 0 HG21 VAL A 44 9.089 10.911 0.679 1.00 0.00 H new ATOM 0 HG22 VAL A 44 10.029 12.350 0.219 1.00 0.00 H new ATOM 0 HG23 VAL A 44 8.489 11.995 -0.599 1.00 0.00 H new ATOM 692 N ALA A 45 12.210 11.118 -4.141 1.00 0.00 N ATOM 693 CA ALA A 45 12.793 10.482 -5.335 1.00 0.00 C ATOM 694 C ALA A 45 13.121 8.987 -5.088 1.00 0.00 C ATOM 695 O ALA A 45 13.928 8.661 -4.207 1.00 0.00 O ATOM 696 CB ALA A 45 14.049 11.253 -5.765 1.00 0.00 C ATOM 0 H ALA A 45 12.791 11.863 -3.756 1.00 0.00 H new ATOM 0 HA ALA A 45 12.056 10.517 -6.137 1.00 0.00 H new ATOM 0 HB1 ALA A 45 14.480 10.782 -6.648 1.00 0.00 H new ATOM 0 HB2 ALA A 45 13.781 12.284 -5.997 1.00 0.00 H new ATOM 0 HB3 ALA A 45 14.778 11.241 -4.955 1.00 0.00 H new ATOM 702 N GLY A 46 12.459 8.091 -5.852 1.00 0.00 N ATOM 703 CA GLY A 46 12.715 6.643 -5.789 1.00 0.00 C ATOM 704 C GLY A 46 11.818 5.911 -4.788 1.00 0.00 C ATOM 705 O GLY A 46 11.938 4.691 -4.632 1.00 0.00 O ATOM 0 H GLY A 46 11.738 8.353 -6.524 1.00 0.00 H new ATOM 0 HA2 GLY A 46 12.569 6.212 -6.779 1.00 0.00 H new ATOM 0 HA3 GLY A 46 13.758 6.477 -5.520 1.00 0.00 H new ATOM 709 N ALA A 47 10.925 6.649 -4.098 1.00 0.00 N ATOM 710 CA ALA A 47 10.035 6.078 -3.073 1.00 0.00 C ATOM 711 C ALA A 47 8.701 5.625 -3.671 1.00 0.00 C ATOM 712 O ALA A 47 8.228 6.181 -4.666 1.00 0.00 O ATOM 713 CB ALA A 47 9.785 7.108 -1.979 1.00 0.00 C ATOM 0 H ALA A 47 10.803 7.652 -4.236 1.00 0.00 H new ATOM 0 HA ALA A 47 10.527 5.201 -2.652 1.00 0.00 H new ATOM 0 HB1 ALA A 47 9.126 6.682 -1.222 1.00 0.00 H new ATOM 0 HB2 ALA A 47 10.733 7.388 -1.519 1.00 0.00 H new ATOM 0 HB3 ALA A 47 9.317 7.992 -2.412 1.00 0.00 H new ATOM 719 N PHE A 48 8.098 4.614 -3.030 1.00 0.00 N ATOM 720 CA PHE A 48 6.856 3.972 -3.494 1.00 0.00 C ATOM 721 C PHE A 48 5.675 4.294 -2.558 1.00 0.00 C ATOM 722 O PHE A 48 5.773 4.130 -1.349 1.00 0.00 O ATOM 723 CB PHE A 48 7.086 2.447 -3.575 1.00 0.00 C ATOM 724 CG PHE A 48 8.264 2.057 -4.473 1.00 0.00 C ATOM 725 CD1 PHE A 48 8.110 1.962 -5.859 1.00 0.00 C ATOM 726 CD2 PHE A 48 9.532 1.795 -3.936 1.00 0.00 C ATOM 727 CE1 PHE A 48 9.177 1.616 -6.675 1.00 0.00 C ATOM 728 CE2 PHE A 48 10.597 1.450 -4.757 1.00 0.00 C ATOM 729 CZ PHE A 48 10.418 1.360 -6.122 1.00 0.00 C ATOM 0 H PHE A 48 8.461 4.213 -2.165 1.00 0.00 H new ATOM 0 HA PHE A 48 6.600 4.360 -4.480 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.260 2.059 -2.571 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.180 1.970 -3.949 1.00 0.00 H new ATOM 0 HD1 PHE A 48 7.145 2.161 -6.302 1.00 0.00 H new ATOM 0 HD2 PHE A 48 9.683 1.862 -2.869 1.00 0.00 H new ATOM 0 HE1 PHE A 48 9.038 1.546 -7.744 1.00 0.00 H new ATOM 0 HE2 PHE A 48 11.567 1.252 -4.326 1.00 0.00 H new ATOM 0 HZ PHE A 48 11.247 1.090 -6.759 1.00 0.00 H new ATOM 739 N ALA A 49 4.552 4.735 -3.142 1.00 0.00 N ATOM 740 CA ALA A 49 3.339 5.108 -2.406 1.00 0.00 C ATOM 741 C ALA A 49 2.303 3.963 -2.467 1.00 0.00 C ATOM 742 O ALA A 49 1.770 3.686 -3.541 1.00 0.00 O ATOM 743 CB ALA A 49 2.766 6.405 -3.002 1.00 0.00 C ATOM 0 H ALA A 49 4.461 4.844 -4.152 1.00 0.00 H new ATOM 0 HA ALA A 49 3.583 5.280 -1.358 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.864 6.687 -2.459 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.505 7.202 -2.917 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.522 6.246 -4.052 1.00 0.00 H new ATOM 749 N LEU A 50 1.991 3.344 -1.314 1.00 0.00 N ATOM 750 CA LEU A 50 1.053 2.202 -1.223 1.00 0.00 C ATOM 751 C LEU A 50 -0.258 2.703 -0.601 1.00 0.00 C ATOM 752 O LEU A 50 -0.304 3.004 0.583 1.00 0.00 O ATOM 753 CB LEU A 50 1.666 1.048 -0.371 1.00 0.00 C ATOM 754 CG LEU A 50 0.705 -0.118 0.061 1.00 0.00 C ATOM 755 CD1 LEU A 50 0.122 -0.885 -1.147 1.00 0.00 C ATOM 756 CD2 LEU A 50 1.406 -1.084 1.044 1.00 0.00 C ATOM 0 H LEU A 50 2.382 3.620 -0.413 1.00 0.00 H new ATOM 0 HA LEU A 50 0.860 1.802 -2.218 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.491 0.613 -0.936 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.093 1.485 0.532 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.136 0.346 0.576 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.534 -1.679 -0.791 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.446 -0.198 -1.774 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.935 -1.320 -1.729 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.717 -1.880 1.325 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.284 -1.517 0.565 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.712 -0.537 1.936 1.00 0.00 H new ATOM 768 N CYS A 51 -1.316 2.798 -1.403 1.00 0.00 N ATOM 769 CA CYS A 51 -2.616 3.307 -0.949 1.00 0.00 C ATOM 770 C CYS A 51 -3.615 2.142 -0.944 1.00 0.00 C ATOM 771 O CYS A 51 -3.764 1.452 -1.956 1.00 0.00 O ATOM 772 CB CYS A 51 -3.074 4.462 -1.864 1.00 0.00 C ATOM 773 SG CYS A 51 -4.676 5.158 -1.455 1.00 0.00 S ATOM 0 H CYS A 51 -1.300 2.526 -2.386 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.546 3.709 0.062 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.328 5.256 -1.824 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -3.102 4.102 -2.893 1.00 0.00 H new ATOM 0 HG CYS A 51 -5.052 5.967 -2.401 1.00 0.00 H new ATOM 779 N VAL A 52 -4.252 1.897 0.223 1.00 0.00 N ATOM 780 CA VAL A 52 -5.161 0.755 0.444 1.00 0.00 C ATOM 781 C VAL A 52 -6.488 1.257 1.047 1.00 0.00 C ATOM 782 O VAL A 52 -6.507 1.786 2.160 1.00 0.00 O ATOM 783 CB VAL A 52 -4.547 -0.342 1.410 1.00 0.00 C ATOM 784 CG1 VAL A 52 -5.421 -1.630 1.434 1.00 0.00 C ATOM 785 CG2 VAL A 52 -3.077 -0.681 1.052 1.00 0.00 C ATOM 0 H VAL A 52 -4.147 2.493 1.044 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.324 0.290 -0.528 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.546 0.088 2.412 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.972 -2.362 2.106 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.423 -1.383 1.784 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.480 -2.048 0.429 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.700 -1.437 1.741 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.030 -1.064 0.032 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.467 0.219 1.131 1.00 0.00 H new ATOM 795 N LEU A 53 -7.582 1.075 0.308 1.00 0.00 N ATOM 796 CA LEU A 53 -8.946 1.364 0.772 1.00 0.00 C ATOM 797 C LEU A 53 -9.506 0.141 1.520 1.00 0.00 C ATOM 798 O LEU A 53 -9.231 -0.990 1.130 1.00 0.00 O ATOM 799 CB LEU A 53 -9.853 1.692 -0.446 1.00 0.00 C ATOM 800 CG LEU A 53 -11.395 1.793 -0.173 1.00 0.00 C ATOM 801 CD1 LEU A 53 -11.752 2.845 0.903 1.00 0.00 C ATOM 802 CD2 LEU A 53 -12.163 2.064 -1.477 1.00 0.00 C ATOM 0 H LEU A 53 -7.549 0.717 -0.646 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.925 2.221 1.446 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.521 2.639 -0.872 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.692 0.927 -1.205 1.00 0.00 H new ATOM 0 HG LEU A 53 -11.703 0.826 0.225 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -12.832 2.867 1.046 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -11.267 2.583 1.843 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -11.409 3.828 0.579 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -13.230 2.130 -1.264 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.821 3.003 -1.912 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -11.983 1.251 -2.181 1.00 0.00 H new ATOM 814 N TYR A 54 -10.278 0.391 2.592 1.00 0.00 N ATOM 815 CA TYR A 54 -11.093 -0.631 3.260 1.00 0.00 C ATOM 816 C TYR A 54 -12.157 0.049 4.146 1.00 0.00 C ATOM 817 O TYR A 54 -11.818 0.906 4.963 1.00 0.00 O ATOM 818 CB TYR A 54 -10.216 -1.589 4.104 1.00 0.00 C ATOM 819 CG TYR A 54 -10.990 -2.769 4.703 1.00 0.00 C ATOM 820 CD1 TYR A 54 -11.433 -3.818 3.892 1.00 0.00 C ATOM 821 CD2 TYR A 54 -11.298 -2.829 6.069 1.00 0.00 C ATOM 822 CE1 TYR A 54 -12.139 -4.881 4.421 1.00 0.00 C ATOM 823 CE2 TYR A 54 -12.006 -3.891 6.597 1.00 0.00 C ATOM 824 CZ TYR A 54 -12.425 -4.912 5.770 1.00 0.00 C ATOM 825 OH TYR A 54 -13.137 -5.967 6.296 1.00 0.00 O ATOM 0 H TYR A 54 -10.352 1.314 3.019 1.00 0.00 H new ATOM 0 HA TYR A 54 -11.590 -1.228 2.495 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -9.410 -1.974 3.479 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -9.751 -1.024 4.912 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -11.220 -3.797 2.834 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -10.976 -2.030 6.721 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -12.466 -5.686 3.780 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -12.230 -3.922 7.653 1.00 0.00 H new ATOM 0 HH TYR A 54 -13.252 -5.836 7.260 1.00 0.00 H new ATOM 835 N GLN A 55 -13.430 -0.350 3.944 1.00 0.00 N ATOM 836 CA GLN A 55 -14.600 0.062 4.755 1.00 0.00 C ATOM 837 C GLN A 55 -14.650 1.593 4.998 1.00 0.00 C ATOM 838 O GLN A 55 -14.528 2.056 6.140 1.00 0.00 O ATOM 839 CB GLN A 55 -14.640 -0.755 6.087 1.00 0.00 C ATOM 840 CG GLN A 55 -15.963 -0.657 6.873 1.00 0.00 C ATOM 841 CD GLN A 55 -15.972 -1.496 8.153 1.00 0.00 C ATOM 842 OE1 GLN A 55 -16.351 -2.670 8.141 1.00 0.00 O ATOM 843 NE2 GLN A 55 -15.562 -0.901 9.264 1.00 0.00 N ATOM 0 H GLN A 55 -13.682 -0.988 3.189 1.00 0.00 H new ATOM 0 HA GLN A 55 -15.501 -0.168 4.186 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -14.448 -1.803 5.858 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -13.828 -0.414 6.729 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -16.148 0.386 7.130 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -16.783 -0.978 6.231 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -15.255 0.071 9.238 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -15.553 -1.415 10.145 1.00 0.00 H new ATOM 852 N LYS A 56 -14.783 2.368 3.894 1.00 0.00 N ATOM 853 CA LYS A 56 -14.858 3.855 3.908 1.00 0.00 C ATOM 854 C LYS A 56 -13.630 4.494 4.627 1.00 0.00 C ATOM 855 O LYS A 56 -13.708 5.585 5.215 1.00 0.00 O ATOM 856 CB LYS A 56 -16.226 4.314 4.521 1.00 0.00 C ATOM 857 CG LYS A 56 -16.629 5.790 4.239 1.00 0.00 C ATOM 858 CD LYS A 56 -16.854 6.123 2.733 1.00 0.00 C ATOM 859 CE LYS A 56 -18.165 5.544 2.139 1.00 0.00 C ATOM 860 NZ LYS A 56 -18.145 4.070 1.966 1.00 0.00 N ATOM 0 H LYS A 56 -14.842 1.975 2.955 1.00 0.00 H new ATOM 0 HA LYS A 56 -14.815 4.216 2.881 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -17.012 3.663 4.138 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -16.187 4.167 5.600 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -17.543 6.015 4.788 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -15.852 6.447 4.631 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -16.861 7.206 2.610 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -16.010 5.742 2.159 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -18.997 5.813 2.790 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -18.352 6.011 1.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -18.545 3.824 1.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -17.165 3.727 2.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -18.711 3.625 2.716 1.00 0.00 H new ATOM 874 N HIS A 57 -12.476 3.806 4.536 1.00 0.00 N ATOM 875 CA HIS A 57 -11.201 4.299 5.097 1.00 0.00 C ATOM 876 C HIS A 57 -10.040 3.957 4.157 1.00 0.00 C ATOM 877 O HIS A 57 -9.622 2.799 4.083 1.00 0.00 O ATOM 878 CB HIS A 57 -10.937 3.727 6.514 1.00 0.00 C ATOM 879 CG HIS A 57 -9.762 4.379 7.210 1.00 0.00 C ATOM 880 ND1 HIS A 57 -9.865 5.579 7.875 1.00 0.00 N ATOM 881 CD2 HIS A 57 -8.454 4.014 7.307 1.00 0.00 C ATOM 882 CE1 HIS A 57 -8.683 5.927 8.344 1.00 0.00 C ATOM 883 NE2 HIS A 57 -7.806 4.995 8.015 1.00 0.00 N ATOM 0 H HIS A 57 -12.400 2.899 4.075 1.00 0.00 H new ATOM 0 HA HIS A 57 -11.277 5.382 5.190 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -11.831 3.858 7.124 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -10.757 2.655 6.438 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -8.008 3.118 6.902 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -8.467 6.825 8.904 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -6.813 5.003 8.248 1.00 0.00 H new ATOM 892 N VAL A 58 -9.518 4.966 3.447 1.00 0.00 N ATOM 893 CA VAL A 58 -8.311 4.802 2.631 1.00 0.00 C ATOM 894 C VAL A 58 -7.099 5.198 3.483 1.00 0.00 C ATOM 895 O VAL A 58 -7.058 6.323 3.998 1.00 0.00 O ATOM 896 CB VAL A 58 -8.312 5.673 1.315 1.00 0.00 C ATOM 897 CG1 VAL A 58 -7.298 5.100 0.300 1.00 0.00 C ATOM 898 CG2 VAL A 58 -9.715 5.780 0.695 1.00 0.00 C ATOM 0 H VAL A 58 -9.915 5.905 3.422 1.00 0.00 H new ATOM 0 HA VAL A 58 -8.273 3.759 2.316 1.00 0.00 H new ATOM 0 HB VAL A 58 -8.009 6.685 1.583 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -7.306 5.708 -0.605 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.299 5.112 0.737 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -7.572 4.075 0.051 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -9.668 6.388 -0.208 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -10.078 4.784 0.443 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -10.394 6.244 1.410 1.00 0.00 H new ATOM 908 N HIS A 59 -6.133 4.289 3.651 1.00 0.00 N ATOM 909 CA HIS A 59 -4.876 4.577 4.367 1.00 0.00 C ATOM 910 C HIS A 59 -3.704 4.482 3.377 1.00 0.00 C ATOM 911 O HIS A 59 -3.672 3.578 2.547 1.00 0.00 O ATOM 912 CB HIS A 59 -4.682 3.577 5.536 1.00 0.00 C ATOM 913 CG HIS A 59 -3.678 4.009 6.577 1.00 0.00 C ATOM 914 ND1 HIS A 59 -2.381 4.368 6.280 1.00 0.00 N ATOM 915 CD2 HIS A 59 -3.812 4.185 7.914 1.00 0.00 C ATOM 916 CE1 HIS A 59 -1.771 4.748 7.379 1.00 0.00 C ATOM 917 NE2 HIS A 59 -2.613 4.647 8.383 1.00 0.00 N ATOM 0 H HIS A 59 -6.195 3.334 3.297 1.00 0.00 H new ATOM 0 HA HIS A 59 -4.915 5.583 4.786 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -5.644 3.418 6.023 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -4.369 2.617 5.126 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -4.699 3.996 8.500 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -0.748 5.087 7.447 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -2.406 4.876 9.355 1.00 0.00 H new ATOM 926 N THR A 60 -2.731 5.396 3.499 1.00 0.00 N ATOM 927 CA THR A 60 -1.535 5.442 2.638 1.00 0.00 C ATOM 928 C THR A 60 -0.301 5.078 3.486 1.00 0.00 C ATOM 929 O THR A 60 -0.178 5.522 4.630 1.00 0.00 O ATOM 930 CB THR A 60 -1.346 6.860 1.986 1.00 0.00 C ATOM 931 OG1 THR A 60 -1.494 7.874 2.990 1.00 0.00 O ATOM 932 CG2 THR A 60 -2.358 7.120 0.853 1.00 0.00 C ATOM 0 H THR A 60 -2.750 6.133 4.204 1.00 0.00 H new ATOM 0 HA THR A 60 -1.659 4.726 1.826 1.00 0.00 H new ATOM 0 HB THR A 60 -0.345 6.890 1.555 1.00 0.00 H new ATOM 0 HG1 THR A 60 -1.374 8.757 2.583 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.188 8.112 0.434 1.00 0.00 H new ATOM 0 HG22 THR A 60 -2.231 6.370 0.073 1.00 0.00 H new ATOM 0 HG23 THR A 60 -3.371 7.063 1.250 1.00 0.00 H new ATOM 940 N TYR A 61 0.577 4.240 2.921 1.00 0.00 N ATOM 941 CA TYR A 61 1.804 3.755 3.562 1.00 0.00 C ATOM 942 C TYR A 61 2.934 4.028 2.563 1.00 0.00 C ATOM 943 O TYR A 61 3.065 3.322 1.559 1.00 0.00 O ATOM 944 CB TYR A 61 1.724 2.222 3.884 1.00 0.00 C ATOM 945 CG TYR A 61 0.370 1.739 4.413 1.00 0.00 C ATOM 946 CD1 TYR A 61 -0.682 1.474 3.534 1.00 0.00 C ATOM 947 CD2 TYR A 61 0.140 1.559 5.777 1.00 0.00 C ATOM 948 CE1 TYR A 61 -1.904 1.047 3.992 1.00 0.00 C ATOM 949 CE2 TYR A 61 -1.088 1.123 6.238 1.00 0.00 C ATOM 950 CZ TYR A 61 -2.105 0.874 5.340 1.00 0.00 C ATOM 951 OH TYR A 61 -3.329 0.446 5.791 1.00 0.00 O ATOM 0 H TYR A 61 0.449 3.871 1.979 1.00 0.00 H new ATOM 0 HA TYR A 61 1.966 4.260 4.514 1.00 0.00 H new ATOM 0 HB2 TYR A 61 1.963 1.664 2.979 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.491 1.981 4.620 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -0.532 1.608 2.473 1.00 0.00 H new ATOM 0 HD2 TYR A 61 0.932 1.763 6.482 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.704 0.848 3.295 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -1.250 0.978 7.296 1.00 0.00 H new ATOM 0 HH TYR A 61 -3.749 -0.119 5.110 1.00 0.00 H new ATOM 961 N ARG A 62 3.690 5.089 2.807 1.00 0.00 N ATOM 962 CA ARG A 62 4.756 5.535 1.913 1.00 0.00 C ATOM 963 C ARG A 62 6.036 4.758 2.206 1.00 0.00 C ATOM 964 O ARG A 62 6.678 4.972 3.237 1.00 0.00 O ATOM 965 CB ARG A 62 4.972 7.057 2.089 1.00 0.00 C ATOM 966 CG ARG A 62 3.688 7.890 1.904 1.00 0.00 C ATOM 967 CD ARG A 62 3.955 9.403 1.861 1.00 0.00 C ATOM 968 NE ARG A 62 4.587 9.930 3.084 1.00 0.00 N ATOM 969 CZ ARG A 62 4.701 11.229 3.390 1.00 0.00 C ATOM 970 NH1 ARG A 62 4.216 12.175 2.582 1.00 0.00 N ATOM 971 NH2 ARG A 62 5.294 11.567 4.518 1.00 0.00 N ATOM 0 H ARG A 62 3.582 5.671 3.637 1.00 0.00 H new ATOM 0 HA ARG A 62 4.475 5.344 0.877 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.377 7.245 3.084 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.720 7.394 1.372 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.195 7.587 0.980 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.999 7.671 2.720 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.595 9.626 1.007 1.00 0.00 H new ATOM 0 HD3 ARG A 62 3.012 9.925 1.697 1.00 0.00 H new ATOM 0 HE ARG A 62 4.966 9.254 3.747 1.00 0.00 H new ATOM 0 HH11 ARG A 62 3.749 11.914 1.714 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.313 13.159 2.833 1.00 0.00 H new ATOM 0 HH21 ARG A 62 5.656 10.844 5.140 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.390 12.551 4.769 1.00 0.00 H new ATOM 985 N ILE A 63 6.334 3.778 1.344 1.00 0.00 N ATOM 986 CA ILE A 63 7.632 3.103 1.326 1.00 0.00 C ATOM 987 C ILE A 63 8.707 4.051 0.779 1.00 0.00 C ATOM 988 O ILE A 63 8.507 4.682 -0.257 1.00 0.00 O ATOM 989 CB ILE A 63 7.606 1.786 0.431 1.00 0.00 C ATOM 990 CG1 ILE A 63 6.601 0.718 0.970 1.00 0.00 C ATOM 991 CG2 ILE A 63 9.016 1.167 0.290 1.00 0.00 C ATOM 992 CD1 ILE A 63 5.140 0.956 0.641 1.00 0.00 C ATOM 0 H ILE A 63 5.681 3.433 0.641 1.00 0.00 H new ATOM 0 HA ILE A 63 7.862 2.817 2.352 1.00 0.00 H new ATOM 0 HB ILE A 63 7.261 2.097 -0.555 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.889 -0.256 0.573 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.705 0.664 2.054 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.960 0.270 -0.327 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.685 1.889 -0.179 1.00 0.00 H new ATOM 0 HG23 ILE A 63 9.399 0.905 1.276 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.536 0.154 1.065 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.823 1.910 1.062 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.009 0.976 -0.441 1.00 0.00 H new ATOM 1004 N LEU A 64 9.820 4.167 1.513 1.00 0.00 N ATOM 1005 CA LEU A 64 11.021 4.877 1.063 1.00 0.00 C ATOM 1006 C LEU A 64 12.277 4.086 1.486 1.00 0.00 C ATOM 1007 O LEU A 64 12.286 3.478 2.567 1.00 0.00 O ATOM 1008 CB LEU A 64 11.043 6.391 1.528 1.00 0.00 C ATOM 1009 CG LEU A 64 10.845 6.786 3.047 1.00 0.00 C ATOM 1010 CD1 LEU A 64 9.517 6.293 3.634 1.00 0.00 C ATOM 1011 CD2 LEU A 64 12.032 6.389 3.934 1.00 0.00 C ATOM 0 H LEU A 64 9.912 3.766 2.446 1.00 0.00 H new ATOM 0 HA LEU A 64 11.011 4.928 -0.026 1.00 0.00 H new ATOM 0 HB2 LEU A 64 12.000 6.806 1.214 1.00 0.00 H new ATOM 0 HB3 LEU A 64 10.269 6.909 0.961 1.00 0.00 H new ATOM 0 HG LEU A 64 10.802 7.875 3.046 1.00 0.00 H new ATOM 0 HD11 LEU A 64 9.445 6.598 4.678 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.688 6.724 3.072 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.472 5.206 3.569 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.833 6.688 4.963 1.00 0.00 H new ATOM 0 HD22 LEU A 64 12.173 5.309 3.891 1.00 0.00 H new ATOM 0 HD23 LEU A 64 12.934 6.888 3.579 1.00 0.00 H new ATOM 1023 N PRO A 65 13.322 4.001 0.604 1.00 0.00 N ATOM 1024 CA PRO A 65 14.638 3.477 0.998 1.00 0.00 C ATOM 1025 C PRO A 65 15.491 4.568 1.671 1.00 0.00 C ATOM 1026 O PRO A 65 15.911 5.532 1.011 1.00 0.00 O ATOM 1027 CB PRO A 65 15.232 2.995 -0.345 1.00 0.00 C ATOM 1028 CG PRO A 65 14.639 3.908 -1.389 1.00 0.00 C ATOM 1029 CD PRO A 65 13.287 4.364 -0.849 1.00 0.00 C ATOM 0 HA PRO A 65 14.592 2.679 1.739 1.00 0.00 H new ATOM 0 HB2 PRO A 65 16.320 3.057 -0.339 1.00 0.00 H new ATOM 0 HB3 PRO A 65 14.973 1.954 -0.539 1.00 0.00 H new ATOM 0 HG2 PRO A 65 15.291 4.762 -1.573 1.00 0.00 H new ATOM 0 HG3 PRO A 65 14.521 3.386 -2.339 1.00 0.00 H new ATOM 0 HD2 PRO A 65 13.145 5.436 -0.987 1.00 0.00 H new ATOM 0 HD3 PRO A 65 12.465 3.865 -1.363 1.00 0.00 H new ATOM 1037 N ASP A 66 15.741 4.417 2.986 1.00 0.00 N ATOM 1038 CA ASP A 66 16.463 5.429 3.781 1.00 0.00 C ATOM 1039 C ASP A 66 17.937 5.477 3.363 1.00 0.00 C ATOM 1040 O ASP A 66 18.430 6.518 2.914 1.00 0.00 O ATOM 1041 CB ASP A 66 16.354 5.144 5.304 1.00 0.00 C ATOM 1042 CG ASP A 66 14.957 5.416 5.882 1.00 0.00 C ATOM 1043 OD1 ASP A 66 14.672 6.589 6.230 1.00 0.00 O ATOM 1044 OD2 ASP A 66 14.147 4.475 6.002 1.00 0.00 O ATOM 0 H ASP A 66 15.452 3.599 3.522 1.00 0.00 H new ATOM 0 HA ASP A 66 15.999 6.396 3.586 1.00 0.00 H new ATOM 0 HB2 ASP A 66 16.619 4.103 5.490 1.00 0.00 H new ATOM 0 HB3 ASP A 66 17.083 5.758 5.833 1.00 0.00 H new ATOM 1049 N GLY A 67 18.625 4.323 3.492 1.00 0.00 N ATOM 1050 CA GLY A 67 20.021 4.192 3.077 1.00 0.00 C ATOM 1051 C GLY A 67 20.163 3.589 1.679 1.00 0.00 C ATOM 1052 O GLY A 67 21.145 2.881 1.416 1.00 0.00 O ATOM 0 H GLY A 67 18.226 3.470 3.883 1.00 0.00 H new ATOM 0 HA2 GLY A 67 20.496 5.173 3.096 1.00 0.00 H new ATOM 0 HA3 GLY A 67 20.553 3.567 3.794 1.00 0.00 H new ATOM 1056 N GLU A 68 19.178 3.892 0.784 1.00 0.00 N ATOM 1057 CA GLU A 68 19.163 3.491 -0.661 1.00 0.00 C ATOM 1058 C GLU A 68 18.959 1.966 -0.921 1.00 0.00 C ATOM 1059 O GLU A 68 18.297 1.584 -1.899 1.00 0.00 O ATOM 1060 CB GLU A 68 20.448 4.006 -1.373 1.00 0.00 C ATOM 1061 CG GLU A 68 20.656 5.536 -1.281 1.00 0.00 C ATOM 1062 CD GLU A 68 22.036 5.996 -1.770 1.00 0.00 C ATOM 1063 OE1 GLU A 68 22.247 6.099 -3.000 1.00 0.00 O ATOM 1064 OE2 GLU A 68 22.924 6.252 -0.926 1.00 0.00 O ATOM 0 H GLU A 68 18.355 4.432 1.049 1.00 0.00 H new ATOM 0 HA GLU A 68 18.279 3.966 -1.087 1.00 0.00 H new ATOM 0 HB2 GLU A 68 21.314 3.506 -0.940 1.00 0.00 H new ATOM 0 HB3 GLU A 68 20.407 3.719 -2.424 1.00 0.00 H new ATOM 0 HG2 GLU A 68 19.886 6.035 -1.869 1.00 0.00 H new ATOM 0 HG3 GLU A 68 20.522 5.851 -0.246 1.00 0.00 H new ATOM 1071 N ASP A 69 19.486 1.108 -0.037 1.00 0.00 N ATOM 1072 CA ASP A 69 19.649 -0.342 -0.308 1.00 0.00 C ATOM 1073 C ASP A 69 18.392 -1.129 0.110 1.00 0.00 C ATOM 1074 O ASP A 69 17.865 -1.939 -0.668 1.00 0.00 O ATOM 1075 CB ASP A 69 20.910 -0.867 0.430 1.00 0.00 C ATOM 1076 CG ASP A 69 21.230 -2.340 0.111 1.00 0.00 C ATOM 1077 OD1 ASP A 69 21.736 -2.617 -1.000 1.00 0.00 O ATOM 1078 OD2 ASP A 69 20.992 -3.224 0.958 1.00 0.00 O ATOM 0 H ASP A 69 19.813 1.391 0.887 1.00 0.00 H new ATOM 0 HA ASP A 69 19.780 -0.490 -1.380 1.00 0.00 H new ATOM 0 HB2 ASP A 69 21.766 -0.249 0.159 1.00 0.00 H new ATOM 0 HB3 ASP A 69 20.766 -0.758 1.505 1.00 0.00 H new ATOM 1083 N PHE A 70 17.917 -0.868 1.334 1.00 0.00 N ATOM 1084 CA PHE A 70 16.690 -1.476 1.879 1.00 0.00 C ATOM 1085 C PHE A 70 15.566 -0.431 1.823 1.00 0.00 C ATOM 1086 O PHE A 70 15.796 0.727 2.173 1.00 0.00 O ATOM 1087 CB PHE A 70 16.890 -1.937 3.354 1.00 0.00 C ATOM 1088 CG PHE A 70 17.926 -3.046 3.553 1.00 0.00 C ATOM 1089 CD1 PHE A 70 17.589 -4.388 3.346 1.00 0.00 C ATOM 1090 CD2 PHE A 70 19.224 -2.756 3.976 1.00 0.00 C ATOM 1091 CE1 PHE A 70 18.522 -5.393 3.531 1.00 0.00 C ATOM 1092 CE2 PHE A 70 20.154 -3.765 4.161 1.00 0.00 C ATOM 1093 CZ PHE A 70 19.799 -5.082 3.946 1.00 0.00 C ATOM 0 H PHE A 70 18.374 -0.225 1.981 1.00 0.00 H new ATOM 0 HA PHE A 70 16.438 -2.354 1.284 1.00 0.00 H new ATOM 0 HB2 PHE A 70 17.185 -1.074 3.951 1.00 0.00 H new ATOM 0 HB3 PHE A 70 15.932 -2.282 3.744 1.00 0.00 H new ATOM 0 HD1 PHE A 70 16.586 -4.643 3.037 1.00 0.00 H new ATOM 0 HD2 PHE A 70 19.507 -1.730 4.162 1.00 0.00 H new ATOM 0 HE1 PHE A 70 18.249 -6.422 3.350 1.00 0.00 H new ATOM 0 HE2 PHE A 70 21.159 -3.522 4.474 1.00 0.00 H new ATOM 0 HZ PHE A 70 20.522 -5.869 4.103 1.00 0.00 H new ATOM 1103 N LEU A 71 14.368 -0.841 1.386 1.00 0.00 N ATOM 1104 CA LEU A 71 13.159 0.011 1.425 1.00 0.00 C ATOM 1105 C LEU A 71 12.226 -0.484 2.534 1.00 0.00 C ATOM 1106 O LEU A 71 12.238 -1.669 2.866 1.00 0.00 O ATOM 1107 CB LEU A 71 12.486 0.092 0.016 1.00 0.00 C ATOM 1108 CG LEU A 71 12.227 -1.237 -0.791 1.00 0.00 C ATOM 1109 CD1 LEU A 71 11.097 -2.108 -0.202 1.00 0.00 C ATOM 1110 CD2 LEU A 71 11.933 -0.909 -2.269 1.00 0.00 C ATOM 0 H LEU A 71 14.204 -1.769 0.996 1.00 0.00 H new ATOM 0 HA LEU A 71 13.429 1.038 1.671 1.00 0.00 H new ATOM 0 HB2 LEU A 71 11.526 0.593 0.140 1.00 0.00 H new ATOM 0 HB3 LEU A 71 13.105 0.738 -0.606 1.00 0.00 H new ATOM 0 HG LEU A 71 13.139 -1.828 -0.713 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.975 -3.005 -0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.351 -2.392 0.819 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.165 -1.542 -0.200 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.755 -1.833 -2.818 1.00 0.00 H new ATOM 0 HD22 LEU A 71 11.049 -0.274 -2.332 1.00 0.00 H new ATOM 0 HD23 LEU A 71 12.786 -0.387 -2.703 1.00 0.00 H new ATOM 1122 N ALA A 72 11.427 0.414 3.125 1.00 0.00 N ATOM 1123 CA ALA A 72 10.657 0.095 4.341 1.00 0.00 C ATOM 1124 C ALA A 72 9.245 0.679 4.279 1.00 0.00 C ATOM 1125 O ALA A 72 9.070 1.852 3.935 1.00 0.00 O ATOM 1126 CB ALA A 72 11.398 0.624 5.574 1.00 0.00 C ATOM 0 H ALA A 72 11.295 1.366 2.784 1.00 0.00 H new ATOM 0 HA ALA A 72 10.562 -0.989 4.411 1.00 0.00 H new ATOM 0 HB1 ALA A 72 10.827 0.387 6.471 1.00 0.00 H new ATOM 0 HB2 ALA A 72 12.381 0.157 5.636 1.00 0.00 H new ATOM 0 HB3 ALA A 72 11.514 1.705 5.493 1.00 0.00 H new ATOM 1132 N VAL A 73 8.252 -0.147 4.644 1.00 0.00 N ATOM 1133 CA VAL A 73 6.870 0.312 4.815 1.00 0.00 C ATOM 1134 C VAL A 73 6.737 0.847 6.242 1.00 0.00 C ATOM 1135 O VAL A 73 7.256 0.245 7.192 1.00 0.00 O ATOM 1136 CB VAL A 73 5.808 -0.820 4.519 1.00 0.00 C ATOM 1137 CG1 VAL A 73 5.896 -1.989 5.513 1.00 0.00 C ATOM 1138 CG2 VAL A 73 4.368 -0.259 4.464 1.00 0.00 C ATOM 0 H VAL A 73 8.385 -1.142 4.827 1.00 0.00 H new ATOM 0 HA VAL A 73 6.658 1.097 4.089 1.00 0.00 H new ATOM 0 HB VAL A 73 6.057 -1.213 3.533 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.144 -2.737 5.262 1.00 0.00 H new ATOM 0 HG12 VAL A 73 6.887 -2.439 5.459 1.00 0.00 H new ATOM 0 HG13 VAL A 73 5.719 -1.621 6.524 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.669 -1.070 4.258 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.120 0.200 5.421 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.299 0.489 3.674 1.00 0.00 H new ATOM 1148 N GLN A 74 6.093 2.000 6.387 1.00 0.00 N ATOM 1149 CA GLN A 74 5.967 2.677 7.677 1.00 0.00 C ATOM 1150 C GLN A 74 4.589 2.308 8.220 1.00 0.00 C ATOM 1151 O GLN A 74 3.588 2.899 7.817 1.00 0.00 O ATOM 1152 CB GLN A 74 6.134 4.213 7.497 1.00 0.00 C ATOM 1153 CG GLN A 74 7.380 4.646 6.687 1.00 0.00 C ATOM 1154 CD GLN A 74 8.708 4.235 7.332 1.00 0.00 C ATOM 1155 OE1 GLN A 74 9.277 4.974 8.138 1.00 0.00 O ATOM 1156 NE2 GLN A 74 9.208 3.056 6.975 1.00 0.00 N ATOM 0 H GLN A 74 5.643 2.493 5.616 1.00 0.00 H new ATOM 0 HA GLN A 74 6.742 2.368 8.379 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.245 4.604 7.003 1.00 0.00 H new ATOM 0 HB3 GLN A 74 6.181 4.676 8.483 1.00 0.00 H new ATOM 0 HG2 GLN A 74 7.322 4.213 5.689 1.00 0.00 H new ATOM 0 HG3 GLN A 74 7.365 5.729 6.566 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.708 2.472 6.305 1.00 0.00 H new ATOM 0 HE22 GLN A 74 10.092 2.736 7.371 1.00 0.00 H new ATOM 1165 N THR A 75 4.542 1.261 9.062 1.00 0.00 N ATOM 1166 CA THR A 75 3.292 0.644 9.513 1.00 0.00 C ATOM 1167 C THR A 75 2.623 1.486 10.617 1.00 0.00 C ATOM 1168 O THR A 75 1.530 2.023 10.411 1.00 0.00 O ATOM 1169 CB THR A 75 3.583 -0.817 10.004 1.00 0.00 C ATOM 1170 OG1 THR A 75 4.654 -0.806 10.966 1.00 0.00 O ATOM 1171 CG2 THR A 75 3.973 -1.738 8.833 1.00 0.00 C ATOM 0 H THR A 75 5.377 0.820 9.448 1.00 0.00 H new ATOM 0 HA THR A 75 2.592 0.602 8.678 1.00 0.00 H new ATOM 0 HB THR A 75 2.670 -1.201 10.460 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.830 -1.721 11.270 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.168 -2.742 9.209 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.158 -1.773 8.110 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.870 -1.352 8.349 1.00 0.00 H new ATOM 1179 N SER A 76 3.304 1.611 11.768 1.00 0.00 N ATOM 1180 CA SER A 76 2.837 2.403 12.916 1.00 0.00 C ATOM 1181 C SER A 76 3.899 2.365 14.015 1.00 0.00 C ATOM 1182 O SER A 76 4.512 1.318 14.247 1.00 0.00 O ATOM 1183 CB SER A 76 1.494 1.860 13.473 1.00 0.00 C ATOM 1184 OG SER A 76 1.065 2.579 14.620 1.00 0.00 O ATOM 0 H SER A 76 4.204 1.159 11.928 1.00 0.00 H new ATOM 0 HA SER A 76 2.672 3.428 12.583 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.729 1.922 12.699 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.606 0.806 13.727 1.00 0.00 H new ATOM 0 HG SER A 76 0.216 2.209 14.940 1.00 0.00 H new ATOM 1190 N GLN A 77 4.118 3.511 14.683 1.00 0.00 N ATOM 1191 CA GLN A 77 4.920 3.562 15.911 1.00 0.00 C ATOM 1192 C GLN A 77 4.043 3.004 17.048 1.00 0.00 C ATOM 1193 O GLN A 77 3.253 3.743 17.661 1.00 0.00 O ATOM 1194 CB GLN A 77 5.412 5.006 16.220 1.00 0.00 C ATOM 1195 CG GLN A 77 6.368 5.102 17.432 1.00 0.00 C ATOM 1196 CD GLN A 77 6.837 6.528 17.723 1.00 0.00 C ATOM 1197 OE1 GLN A 77 6.205 7.263 18.486 1.00 0.00 O ATOM 1198 NE2 GLN A 77 7.949 6.930 17.121 1.00 0.00 N ATOM 0 H GLN A 77 3.748 4.415 14.389 1.00 0.00 H new ATOM 0 HA GLN A 77 5.823 2.962 15.798 1.00 0.00 H new ATOM 0 HB2 GLN A 77 5.918 5.402 15.340 1.00 0.00 H new ATOM 0 HB3 GLN A 77 4.546 5.642 16.403 1.00 0.00 H new ATOM 0 HG2 GLN A 77 5.865 4.705 18.314 1.00 0.00 H new ATOM 0 HG3 GLN A 77 7.238 4.471 17.250 1.00 0.00 H new ATOM 0 HE21 GLN A 77 8.448 6.297 16.496 1.00 0.00 H new ATOM 0 HE22 GLN A 77 8.305 7.872 17.284 1.00 0.00 H new ATOM 1207 N GLY A 78 4.144 1.689 17.278 1.00 0.00 N ATOM 1208 CA GLY A 78 3.207 0.947 18.118 1.00 0.00 C ATOM 1209 C GLY A 78 3.257 -0.536 17.766 1.00 0.00 C ATOM 1210 O GLY A 78 2.980 -1.399 18.606 1.00 0.00 O ATOM 0 H GLY A 78 4.884 1.110 16.882 1.00 0.00 H new ATOM 0 HA2 GLY A 78 3.457 1.089 19.169 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.196 1.330 17.976 1.00 0.00 H new ATOM 1214 N VAL A 79 3.629 -0.821 16.498 1.00 0.00 N ATOM 1215 CA VAL A 79 3.849 -2.190 15.976 1.00 0.00 C ATOM 1216 C VAL A 79 5.254 -2.245 15.318 1.00 0.00 C ATOM 1217 O VAL A 79 5.774 -1.189 14.930 1.00 0.00 O ATOM 1218 CB VAL A 79 2.733 -2.611 14.929 1.00 0.00 C ATOM 1219 CG1 VAL A 79 1.323 -2.621 15.576 1.00 0.00 C ATOM 1220 CG2 VAL A 79 2.754 -1.707 13.664 1.00 0.00 C ATOM 0 H VAL A 79 3.787 -0.096 15.798 1.00 0.00 H new ATOM 0 HA VAL A 79 3.789 -2.896 16.804 1.00 0.00 H new ATOM 0 HB VAL A 79 2.965 -3.627 14.611 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.583 -2.914 14.831 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.307 -3.332 16.402 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.087 -1.625 15.950 1.00 0.00 H new ATOM 0 HG21 VAL A 79 1.975 -2.029 12.973 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.576 -0.671 13.954 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.726 -1.786 13.177 1.00 0.00 H new ATOM 1230 N PRO A 80 5.905 -3.451 15.191 1.00 0.00 N ATOM 1231 CA PRO A 80 7.256 -3.573 14.562 1.00 0.00 C ATOM 1232 C PRO A 80 7.273 -3.134 13.066 1.00 0.00 C ATOM 1233 O PRO A 80 6.360 -3.463 12.298 1.00 0.00 O ATOM 1234 CB PRO A 80 7.596 -5.088 14.729 1.00 0.00 C ATOM 1235 CG PRO A 80 6.264 -5.759 14.887 1.00 0.00 C ATOM 1236 CD PRO A 80 5.405 -4.779 15.656 1.00 0.00 C ATOM 0 HA PRO A 80 7.988 -2.915 15.030 1.00 0.00 H new ATOM 0 HB2 PRO A 80 8.133 -5.472 13.862 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.231 -5.258 15.598 1.00 0.00 H new ATOM 0 HG2 PRO A 80 5.823 -5.990 13.917 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.361 -6.702 15.425 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.346 -4.911 15.434 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.522 -4.899 16.733 1.00 0.00 H new ATOM 1244 N VAL A 81 8.316 -2.369 12.679 1.00 0.00 N ATOM 1245 CA VAL A 81 8.530 -1.898 11.293 1.00 0.00 C ATOM 1246 C VAL A 81 9.473 -2.885 10.579 1.00 0.00 C ATOM 1247 O VAL A 81 10.494 -3.292 11.149 1.00 0.00 O ATOM 1248 CB VAL A 81 9.147 -0.442 11.271 1.00 0.00 C ATOM 1249 CG1 VAL A 81 9.419 0.051 9.819 1.00 0.00 C ATOM 1250 CG2 VAL A 81 8.228 0.553 12.028 1.00 0.00 C ATOM 0 H VAL A 81 9.040 -2.058 13.326 1.00 0.00 H new ATOM 0 HA VAL A 81 7.570 -1.855 10.779 1.00 0.00 H new ATOM 0 HB VAL A 81 10.108 -0.486 11.783 1.00 0.00 H new ATOM 0 HG11 VAL A 81 9.842 1.055 9.849 1.00 0.00 H new ATOM 0 HG12 VAL A 81 10.121 -0.625 9.331 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.484 0.068 9.259 1.00 0.00 H new ATOM 0 HG21 VAL A 81 8.670 1.549 12.001 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.248 0.578 11.551 1.00 0.00 H new ATOM 0 HG23 VAL A 81 8.119 0.232 13.064 1.00 0.00 H new ATOM 1260 N ARG A 82 9.127 -3.267 9.341 1.00 0.00 N ATOM 1261 CA ARG A 82 9.880 -4.263 8.550 1.00 0.00 C ATOM 1262 C ARG A 82 10.519 -3.585 7.317 1.00 0.00 C ATOM 1263 O ARG A 82 9.846 -2.835 6.600 1.00 0.00 O ATOM 1264 CB ARG A 82 8.893 -5.385 8.142 1.00 0.00 C ATOM 1265 CG ARG A 82 9.445 -6.538 7.271 1.00 0.00 C ATOM 1266 CD ARG A 82 10.564 -7.376 7.932 1.00 0.00 C ATOM 1267 NE ARG A 82 10.624 -8.754 7.383 1.00 0.00 N ATOM 1268 CZ ARG A 82 11.131 -9.113 6.195 1.00 0.00 C ATOM 1269 NH1 ARG A 82 11.697 -8.225 5.395 1.00 0.00 N ATOM 1270 NH2 ARG A 82 11.067 -10.380 5.816 1.00 0.00 N ATOM 0 H ARG A 82 8.312 -2.894 8.854 1.00 0.00 H new ATOM 0 HA ARG A 82 10.693 -4.694 9.134 1.00 0.00 H new ATOM 0 HB2 ARG A 82 8.481 -5.819 9.053 1.00 0.00 H new ATOM 0 HB3 ARG A 82 8.064 -4.925 7.605 1.00 0.00 H new ATOM 0 HG2 ARG A 82 8.621 -7.202 7.008 1.00 0.00 H new ATOM 0 HG3 ARG A 82 9.827 -6.120 6.340 1.00 0.00 H new ATOM 0 HD2 ARG A 82 11.524 -6.883 7.780 1.00 0.00 H new ATOM 0 HD3 ARG A 82 10.396 -7.421 9.008 1.00 0.00 H new ATOM 0 HE ARG A 82 10.243 -9.499 7.966 1.00 0.00 H new ATOM 0 HH11 ARG A 82 11.754 -7.247 5.678 1.00 0.00 H new ATOM 0 HH12 ARG A 82 12.077 -8.518 4.495 1.00 0.00 H new ATOM 0 HH21 ARG A 82 10.635 -11.074 6.426 1.00 0.00 H new ATOM 0 HH22 ARG A 82 11.450 -10.662 4.914 1.00 0.00 H new ATOM 1284 N ARG A 83 11.828 -3.833 7.102 1.00 0.00 N ATOM 1285 CA ARG A 83 12.569 -3.385 5.905 1.00 0.00 C ATOM 1286 C ARG A 83 12.726 -4.571 4.948 1.00 0.00 C ATOM 1287 O ARG A 83 12.713 -5.720 5.386 1.00 0.00 O ATOM 1288 CB ARG A 83 13.964 -2.843 6.302 1.00 0.00 C ATOM 1289 CG ARG A 83 13.947 -1.590 7.206 1.00 0.00 C ATOM 1290 CD ARG A 83 15.355 -1.182 7.669 1.00 0.00 C ATOM 1291 NE ARG A 83 15.956 -2.180 8.578 1.00 0.00 N ATOM 1292 CZ ARG A 83 17.077 -2.874 8.347 1.00 0.00 C ATOM 1293 NH1 ARG A 83 17.724 -2.766 7.192 1.00 0.00 N ATOM 1294 NH2 ARG A 83 17.534 -3.691 9.272 1.00 0.00 N ATOM 0 H ARG A 83 12.405 -4.355 7.761 1.00 0.00 H new ATOM 0 HA ARG A 83 12.015 -2.583 5.417 1.00 0.00 H new ATOM 0 HB2 ARG A 83 14.512 -3.634 6.814 1.00 0.00 H new ATOM 0 HB3 ARG A 83 14.518 -2.609 5.393 1.00 0.00 H new ATOM 0 HG2 ARG A 83 13.491 -0.761 6.665 1.00 0.00 H new ATOM 0 HG3 ARG A 83 13.322 -1.783 8.078 1.00 0.00 H new ATOM 0 HD2 ARG A 83 15.998 -1.052 6.799 1.00 0.00 H new ATOM 0 HD3 ARG A 83 15.304 -0.217 8.174 1.00 0.00 H new ATOM 0 HE ARG A 83 15.474 -2.356 9.460 1.00 0.00 H new ATOM 0 HH11 ARG A 83 17.368 -2.147 6.464 1.00 0.00 H new ATOM 0 HH12 ARG A 83 18.577 -3.302 7.033 1.00 0.00 H new ATOM 0 HH21 ARG A 83 17.035 -3.791 10.156 1.00 0.00 H new ATOM 0 HH22 ARG A 83 18.387 -4.224 9.105 1.00 0.00 H new ATOM 1308 N PHE A 84 12.911 -4.285 3.651 1.00 0.00 N ATOM 1309 CA PHE A 84 12.915 -5.302 2.579 1.00 0.00 C ATOM 1310 C PHE A 84 14.050 -4.998 1.609 1.00 0.00 C ATOM 1311 O PHE A 84 14.547 -3.869 1.549 1.00 0.00 O ATOM 1312 CB PHE A 84 11.563 -5.334 1.780 1.00 0.00 C ATOM 1313 CG PHE A 84 10.323 -5.119 2.625 1.00 0.00 C ATOM 1314 CD1 PHE A 84 9.845 -3.830 2.861 1.00 0.00 C ATOM 1315 CD2 PHE A 84 9.649 -6.188 3.195 1.00 0.00 C ATOM 1316 CE1 PHE A 84 8.743 -3.622 3.646 1.00 0.00 C ATOM 1317 CE2 PHE A 84 8.539 -5.976 3.975 1.00 0.00 C ATOM 1318 CZ PHE A 84 8.086 -4.694 4.197 1.00 0.00 C ATOM 0 H PHE A 84 13.063 -3.336 3.310 1.00 0.00 H new ATOM 0 HA PHE A 84 13.048 -6.276 3.050 1.00 0.00 H new ATOM 0 HB2 PHE A 84 11.596 -4.567 1.006 1.00 0.00 H new ATOM 0 HB3 PHE A 84 11.479 -6.295 1.273 1.00 0.00 H new ATOM 0 HD1 PHE A 84 10.351 -2.985 2.418 1.00 0.00 H new ATOM 0 HD2 PHE A 84 10.000 -7.195 3.024 1.00 0.00 H new ATOM 0 HE1 PHE A 84 8.392 -2.618 3.831 1.00 0.00 H new ATOM 0 HE2 PHE A 84 8.021 -6.815 4.415 1.00 0.00 H new ATOM 0 HZ PHE A 84 7.210 -4.532 4.807 1.00 0.00 H new ATOM 1328 N GLN A 85 14.433 -6.015 0.834 1.00 0.00 N ATOM 1329 CA GLN A 85 15.416 -5.878 -0.251 1.00 0.00 C ATOM 1330 C GLN A 85 14.670 -5.498 -1.549 1.00 0.00 C ATOM 1331 O GLN A 85 15.260 -4.895 -2.455 1.00 0.00 O ATOM 1332 CB GLN A 85 16.229 -7.198 -0.465 1.00 0.00 C ATOM 1333 CG GLN A 85 17.042 -7.722 0.753 1.00 0.00 C ATOM 1334 CD GLN A 85 16.185 -8.220 1.923 1.00 0.00 C ATOM 1335 OE1 GLN A 85 15.864 -7.469 2.844 1.00 0.00 O ATOM 1336 NE2 GLN A 85 15.762 -9.476 1.872 1.00 0.00 N ATOM 0 H GLN A 85 14.070 -6.962 0.939 1.00 0.00 H new ATOM 0 HA GLN A 85 16.129 -5.099 0.019 1.00 0.00 H new ATOM 0 HB2 GLN A 85 15.534 -7.980 -0.772 1.00 0.00 H new ATOM 0 HB3 GLN A 85 16.920 -7.042 -1.294 1.00 0.00 H new ATOM 0 HG2 GLN A 85 17.688 -8.535 0.420 1.00 0.00 H new ATOM 0 HG3 GLN A 85 17.693 -6.924 1.110 1.00 0.00 H new ATOM 0 HE21 GLN A 85 16.043 -10.078 1.098 1.00 0.00 H new ATOM 0 HE22 GLN A 85 15.156 -9.840 2.607 1.00 0.00 H new ATOM 1345 N THR A 86 13.361 -5.850 -1.611 1.00 0.00 N ATOM 1346 CA THR A 86 12.501 -5.658 -2.801 1.00 0.00 C ATOM 1347 C THR A 86 11.007 -5.552 -2.367 1.00 0.00 C ATOM 1348 O THR A 86 10.615 -6.090 -1.318 1.00 0.00 O ATOM 1349 CB THR A 86 12.680 -6.852 -3.820 1.00 0.00 C ATOM 1350 OG1 THR A 86 14.067 -7.039 -4.145 1.00 0.00 O ATOM 1351 CG2 THR A 86 11.898 -6.657 -5.134 1.00 0.00 C ATOM 0 H THR A 86 12.870 -6.279 -0.827 1.00 0.00 H new ATOM 0 HA THR A 86 12.800 -4.733 -3.295 1.00 0.00 H new ATOM 0 HB THR A 86 12.278 -7.730 -3.314 1.00 0.00 H new ATOM 0 HG1 THR A 86 14.158 -7.784 -4.776 1.00 0.00 H new ATOM 0 HG21 THR A 86 12.066 -7.513 -5.788 1.00 0.00 H new ATOM 0 HG22 THR A 86 10.834 -6.571 -4.915 1.00 0.00 H new ATOM 0 HG23 THR A 86 12.241 -5.749 -5.630 1.00 0.00 H new ATOM 1359 N LEU A 87 10.198 -4.867 -3.208 1.00 0.00 N ATOM 1360 CA LEU A 87 8.727 -4.718 -3.026 1.00 0.00 C ATOM 1361 C LEU A 87 7.998 -6.086 -2.988 1.00 0.00 C ATOM 1362 O LEU A 87 6.968 -6.210 -2.324 1.00 0.00 O ATOM 1363 CB LEU A 87 8.102 -3.848 -4.150 1.00 0.00 C ATOM 1364 CG LEU A 87 8.514 -2.346 -4.171 1.00 0.00 C ATOM 1365 CD1 LEU A 87 7.868 -1.634 -5.372 1.00 0.00 C ATOM 1366 CD2 LEU A 87 8.152 -1.636 -2.836 1.00 0.00 C ATOM 0 H LEU A 87 10.548 -4.396 -4.042 1.00 0.00 H new ATOM 0 HA LEU A 87 8.593 -4.224 -2.064 1.00 0.00 H new ATOM 0 HB2 LEU A 87 8.367 -4.289 -5.111 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.017 -3.904 -4.062 1.00 0.00 H new ATOM 0 HG LEU A 87 9.597 -2.293 -4.279 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.164 -0.585 -5.375 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.199 -2.107 -6.297 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.783 -1.705 -5.296 1.00 0.00 H new ATOM 0 HD21 LEU A 87 8.454 -0.590 -2.887 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.076 -1.696 -2.672 1.00 0.00 H new ATOM 0 HD23 LEU A 87 8.672 -2.124 -2.012 1.00 0.00 H new ATOM 1378 N GLY A 88 8.527 -7.074 -3.735 1.00 0.00 N ATOM 1379 CA GLY A 88 7.966 -8.438 -3.787 1.00 0.00 C ATOM 1380 C GLY A 88 7.800 -9.096 -2.419 1.00 0.00 C ATOM 1381 O GLY A 88 6.799 -9.790 -2.173 1.00 0.00 O ATOM 0 H GLY A 88 9.354 -6.949 -4.319 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.995 -8.401 -4.281 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.613 -9.062 -4.403 1.00 0.00 H new ATOM 1385 N GLU A 89 8.783 -8.861 -1.529 1.00 0.00 N ATOM 1386 CA GLU A 89 8.768 -9.384 -0.146 1.00 0.00 C ATOM 1387 C GLU A 89 7.637 -8.734 0.660 1.00 0.00 C ATOM 1388 O GLU A 89 6.970 -9.401 1.457 1.00 0.00 O ATOM 1389 CB GLU A 89 10.125 -9.128 0.545 1.00 0.00 C ATOM 1390 CG GLU A 89 10.260 -9.735 1.959 1.00 0.00 C ATOM 1391 CD GLU A 89 11.692 -9.705 2.522 1.00 0.00 C ATOM 1392 OE1 GLU A 89 12.354 -8.645 2.470 1.00 0.00 O ATOM 1393 OE2 GLU A 89 12.162 -10.738 3.048 1.00 0.00 O ATOM 0 H GLU A 89 9.610 -8.304 -1.746 1.00 0.00 H new ATOM 0 HA GLU A 89 8.595 -10.459 -0.189 1.00 0.00 H new ATOM 0 HB2 GLU A 89 10.918 -9.531 -0.085 1.00 0.00 H new ATOM 0 HB3 GLU A 89 10.285 -8.052 0.611 1.00 0.00 H new ATOM 0 HG2 GLU A 89 9.602 -9.194 2.639 1.00 0.00 H new ATOM 0 HG3 GLU A 89 9.913 -10.768 1.934 1.00 0.00 H new ATOM 1400 N LEU A 90 7.428 -7.428 0.409 1.00 0.00 N ATOM 1401 CA LEU A 90 6.382 -6.642 1.064 1.00 0.00 C ATOM 1402 C LEU A 90 5.003 -7.219 0.740 1.00 0.00 C ATOM 1403 O LEU A 90 4.275 -7.572 1.638 1.00 0.00 O ATOM 1404 CB LEU A 90 6.488 -5.146 0.639 1.00 0.00 C ATOM 1405 CG LEU A 90 5.613 -4.096 1.422 1.00 0.00 C ATOM 1406 CD1 LEU A 90 6.193 -2.690 1.233 1.00 0.00 C ATOM 1407 CD2 LEU A 90 4.116 -4.094 1.007 1.00 0.00 C ATOM 0 H LEU A 90 7.985 -6.893 -0.257 1.00 0.00 H new ATOM 0 HA LEU A 90 6.520 -6.694 2.144 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.532 -4.846 0.729 1.00 0.00 H new ATOM 0 HB3 LEU A 90 6.227 -5.079 -0.417 1.00 0.00 H new ATOM 0 HG LEU A 90 5.648 -4.394 2.470 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.583 -1.969 1.777 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.214 -2.663 1.614 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.195 -2.437 0.173 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.578 -3.346 1.589 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.033 -3.857 -0.054 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.685 -5.078 1.194 1.00 0.00 H new ATOM 1419 N ILE A 91 4.670 -7.308 -0.551 1.00 0.00 N ATOM 1420 CA ILE A 91 3.342 -7.769 -1.015 1.00 0.00 C ATOM 1421 C ILE A 91 2.982 -9.176 -0.455 1.00 0.00 C ATOM 1422 O ILE A 91 1.869 -9.390 0.058 1.00 0.00 O ATOM 1423 CB ILE A 91 3.254 -7.759 -2.590 1.00 0.00 C ATOM 1424 CG1 ILE A 91 3.729 -6.384 -3.180 1.00 0.00 C ATOM 1425 CG2 ILE A 91 1.824 -8.097 -3.085 1.00 0.00 C ATOM 1426 CD1 ILE A 91 2.901 -5.166 -2.783 1.00 0.00 C ATOM 0 H ILE A 91 5.307 -7.065 -1.309 1.00 0.00 H new ATOM 0 HA ILE A 91 2.608 -7.064 -0.624 1.00 0.00 H new ATOM 0 HB ILE A 91 3.927 -8.536 -2.952 1.00 0.00 H new ATOM 0 HG12 ILE A 91 4.760 -6.215 -2.870 1.00 0.00 H new ATOM 0 HG13 ILE A 91 3.731 -6.459 -4.267 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.803 -8.080 -4.175 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.542 -9.089 -2.732 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.121 -7.360 -2.697 1.00 0.00 H new ATOM 0 HD11 ILE A 91 3.320 -4.274 -3.248 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.873 -5.300 -3.118 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.918 -5.052 -1.699 1.00 0.00 H new ATOM 1438 N GLY A 92 3.959 -10.098 -0.518 1.00 0.00 N ATOM 1439 CA GLY A 92 3.788 -11.461 -0.003 1.00 0.00 C ATOM 1440 C GLY A 92 3.536 -11.526 1.511 1.00 0.00 C ATOM 1441 O GLY A 92 2.569 -12.151 1.956 1.00 0.00 O ATOM 0 H GLY A 92 4.878 -9.919 -0.923 1.00 0.00 H new ATOM 0 HA2 GLY A 92 2.953 -11.933 -0.521 1.00 0.00 H new ATOM 0 HA3 GLY A 92 4.679 -12.043 -0.239 1.00 0.00 H new ATOM 1445 N LEU A 93 4.417 -10.875 2.287 1.00 0.00 N ATOM 1446 CA LEU A 93 4.363 -10.863 3.771 1.00 0.00 C ATOM 1447 C LEU A 93 3.147 -10.060 4.288 1.00 0.00 C ATOM 1448 O LEU A 93 2.439 -10.491 5.203 1.00 0.00 O ATOM 1449 CB LEU A 93 5.695 -10.270 4.312 1.00 0.00 C ATOM 1450 CG LEU A 93 5.832 -10.095 5.862 1.00 0.00 C ATOM 1451 CD1 LEU A 93 5.688 -11.438 6.609 1.00 0.00 C ATOM 1452 CD2 LEU A 93 7.166 -9.402 6.221 1.00 0.00 C ATOM 0 H LEU A 93 5.195 -10.336 1.907 1.00 0.00 H new ATOM 0 HA LEU A 93 4.241 -11.884 4.134 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.510 -10.909 3.972 1.00 0.00 H new ATOM 0 HB3 LEU A 93 5.841 -9.294 3.849 1.00 0.00 H new ATOM 0 HG LEU A 93 5.013 -9.455 6.190 1.00 0.00 H new ATOM 0 HD11 LEU A 93 5.790 -11.271 7.681 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.708 -11.867 6.400 1.00 0.00 H new ATOM 0 HD13 LEU A 93 6.464 -12.126 6.274 1.00 0.00 H new ATOM 0 HD21 LEU A 93 7.239 -9.291 7.303 1.00 0.00 H new ATOM 0 HD22 LEU A 93 7.998 -10.007 5.861 1.00 0.00 H new ATOM 0 HD23 LEU A 93 7.203 -8.419 5.752 1.00 0.00 H new ATOM 1464 N TYR A 94 2.914 -8.897 3.673 1.00 0.00 N ATOM 1465 CA TYR A 94 1.860 -7.932 4.070 1.00 0.00 C ATOM 1466 C TYR A 94 0.505 -8.234 3.426 1.00 0.00 C ATOM 1467 O TYR A 94 -0.441 -7.443 3.535 1.00 0.00 O ATOM 1468 CB TYR A 94 2.334 -6.479 3.801 1.00 0.00 C ATOM 1469 CG TYR A 94 3.279 -5.973 4.898 1.00 0.00 C ATOM 1470 CD1 TYR A 94 4.629 -6.319 4.910 1.00 0.00 C ATOM 1471 CD2 TYR A 94 2.788 -5.219 5.970 1.00 0.00 C ATOM 1472 CE1 TYR A 94 5.457 -5.910 5.942 1.00 0.00 C ATOM 1473 CE2 TYR A 94 3.615 -4.802 6.988 1.00 0.00 C ATOM 1474 CZ TYR A 94 4.940 -5.158 6.979 1.00 0.00 C ATOM 1475 OH TYR A 94 5.757 -4.756 8.014 1.00 0.00 O ATOM 0 H TYR A 94 3.458 -8.585 2.869 1.00 0.00 H new ATOM 0 HA TYR A 94 1.697 -8.042 5.142 1.00 0.00 H new ATOM 0 HB2 TYR A 94 2.841 -6.435 2.837 1.00 0.00 H new ATOM 0 HB3 TYR A 94 1.468 -5.821 3.736 1.00 0.00 H new ATOM 0 HD1 TYR A 94 5.034 -6.913 4.105 1.00 0.00 H new ATOM 0 HD2 TYR A 94 1.740 -4.959 5.999 1.00 0.00 H new ATOM 0 HE1 TYR A 94 6.503 -6.178 5.936 1.00 0.00 H new ATOM 0 HE2 TYR A 94 3.222 -4.196 7.791 1.00 0.00 H new ATOM 0 HH TYR A 94 5.272 -4.832 8.862 1.00 0.00 H new ATOM 1485 N ALA A 95 0.397 -9.394 2.774 1.00 0.00 N ATOM 1486 CA ALA A 95 -0.903 -10.043 2.534 1.00 0.00 C ATOM 1487 C ALA A 95 -1.543 -10.578 3.857 1.00 0.00 C ATOM 1488 O ALA A 95 -2.625 -11.170 3.828 1.00 0.00 O ATOM 1489 CB ALA A 95 -0.724 -11.165 1.507 1.00 0.00 C ATOM 0 H ALA A 95 1.195 -9.908 2.400 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.595 -9.300 2.138 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -1.684 -11.649 1.326 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.346 -10.747 0.574 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.014 -11.899 1.890 1.00 0.00 H new ATOM 1495 N GLN A 96 -0.873 -10.350 5.014 1.00 0.00 N ATOM 1496 CA GLN A 96 -1.393 -10.692 6.355 1.00 0.00 C ATOM 1497 C GLN A 96 -1.919 -9.424 7.090 1.00 0.00 C ATOM 1498 O GLN A 96 -1.190 -8.427 7.176 1.00 0.00 O ATOM 1499 CB GLN A 96 -0.271 -11.349 7.203 1.00 0.00 C ATOM 1500 CG GLN A 96 0.304 -12.646 6.604 1.00 0.00 C ATOM 1501 CD GLN A 96 -0.725 -13.774 6.410 1.00 0.00 C ATOM 1502 OE1 GLN A 96 -0.615 -14.567 5.475 1.00 0.00 O ATOM 1503 NE2 GLN A 96 -1.700 -13.889 7.315 1.00 0.00 N ATOM 0 H GLN A 96 0.051 -9.920 5.039 1.00 0.00 H new ATOM 0 HA GLN A 96 -2.220 -11.391 6.230 1.00 0.00 H new ATOM 0 HB2 GLN A 96 0.540 -10.631 7.329 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -0.663 -11.565 8.197 1.00 0.00 H new ATOM 0 HG2 GLN A 96 0.757 -12.416 5.640 1.00 0.00 H new ATOM 0 HG3 GLN A 96 1.102 -13.008 7.253 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -1.768 -13.218 8.080 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -2.377 -14.648 7.241 1.00 0.00 H new ATOM 1512 N PRO A 97 -3.202 -9.428 7.600 1.00 0.00 N ATOM 1513 CA PRO A 97 -3.737 -8.333 8.469 1.00 0.00 C ATOM 1514 C PRO A 97 -3.117 -8.338 9.895 1.00 0.00 C ATOM 1515 O PRO A 97 -2.269 -9.189 10.211 1.00 0.00 O ATOM 1516 CB PRO A 97 -5.272 -8.620 8.514 1.00 0.00 C ATOM 1517 CG PRO A 97 -5.519 -9.629 7.427 1.00 0.00 C ATOM 1518 CD PRO A 97 -4.252 -10.446 7.333 1.00 0.00 C ATOM 0 HA PRO A 97 -3.494 -7.346 8.076 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -5.571 -9.009 9.487 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -5.847 -7.710 8.344 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -6.375 -10.260 7.666 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -5.739 -9.138 6.479 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -4.232 -11.253 8.066 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -4.135 -10.904 6.351 1.00 0.00 H new ATOM 1526 N ASN A 98 -3.595 -7.390 10.747 1.00 0.00 N ATOM 1527 CA ASN A 98 -3.106 -7.164 12.142 1.00 0.00 C ATOM 1528 C ASN A 98 -1.569 -6.910 12.186 1.00 0.00 C ATOM 1529 O ASN A 98 -0.900 -7.157 13.194 1.00 0.00 O ATOM 1530 CB ASN A 98 -3.531 -8.363 13.058 1.00 0.00 C ATOM 1531 CG ASN A 98 -3.481 -8.067 14.567 1.00 0.00 C ATOM 1532 OD1 ASN A 98 -4.463 -7.614 15.152 1.00 0.00 O ATOM 1533 ND2 ASN A 98 -2.356 -8.342 15.213 1.00 0.00 N ATOM 0 H ASN A 98 -4.343 -6.749 10.482 1.00 0.00 H new ATOM 0 HA ASN A 98 -3.573 -6.258 12.527 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -4.545 -8.663 12.794 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -2.882 -9.213 12.846 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -2.292 -8.178 16.218 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -1.555 -8.717 14.705 1.00 0.00 H new ATOM 1540 N GLN A 99 -1.033 -6.349 11.086 1.00 0.00 N ATOM 1541 CA GLN A 99 0.432 -6.178 10.891 1.00 0.00 C ATOM 1542 C GLN A 99 0.753 -4.838 10.195 1.00 0.00 C ATOM 1543 O GLN A 99 1.817 -4.681 9.595 1.00 0.00 O ATOM 1544 CB GLN A 99 1.020 -7.402 10.117 1.00 0.00 C ATOM 1545 CG GLN A 99 0.983 -8.735 10.913 1.00 0.00 C ATOM 1546 CD GLN A 99 1.525 -9.965 10.184 1.00 0.00 C ATOM 1547 OE1 GLN A 99 2.450 -9.885 9.386 1.00 0.00 O ATOM 1548 NE2 GLN A 99 0.933 -11.119 10.451 1.00 0.00 N ATOM 0 H GLN A 99 -1.593 -6.001 10.308 1.00 0.00 H new ATOM 0 HA GLN A 99 0.913 -6.142 11.869 1.00 0.00 H new ATOM 0 HB2 GLN A 99 0.465 -7.531 9.188 1.00 0.00 H new ATOM 0 HB3 GLN A 99 2.052 -7.183 9.844 1.00 0.00 H new ATOM 0 HG2 GLN A 99 1.552 -8.602 11.833 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -0.049 -8.934 11.203 1.00 0.00 H new ATOM 0 HE21 GLN A 99 0.165 -11.155 11.121 1.00 0.00 H new ATOM 0 HE22 GLN A 99 1.246 -11.972 9.987 1.00 0.00 H new ATOM 1557 N GLY A 100 -0.166 -3.861 10.318 1.00 0.00 N ATOM 1558 CA GLY A 100 0.045 -2.495 9.817 1.00 0.00 C ATOM 1559 C GLY A 100 -1.024 -2.072 8.826 1.00 0.00 C ATOM 1560 O GLY A 100 -1.479 -0.920 8.834 1.00 0.00 O ATOM 0 H GLY A 100 -1.072 -3.999 10.766 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.054 -1.800 10.657 1.00 0.00 H new ATOM 0 HA3 GLY A 100 1.024 -2.432 9.341 1.00 0.00 H new ATOM 1564 N LEU A 101 -1.426 -3.021 7.969 1.00 0.00 N ATOM 1565 CA LEU A 101 -2.374 -2.758 6.874 1.00 0.00 C ATOM 1566 C LEU A 101 -3.828 -2.997 7.335 1.00 0.00 C ATOM 1567 O LEU A 101 -4.134 -4.057 7.886 1.00 0.00 O ATOM 1568 CB LEU A 101 -2.040 -3.619 5.636 1.00 0.00 C ATOM 1569 CG LEU A 101 -0.558 -3.551 5.114 1.00 0.00 C ATOM 1570 CD1 LEU A 101 -0.436 -4.216 3.744 1.00 0.00 C ATOM 1571 CD2 LEU A 101 -0.012 -2.107 5.049 1.00 0.00 C ATOM 0 H LEU A 101 -1.106 -3.988 8.014 1.00 0.00 H new ATOM 0 HA LEU A 101 -2.278 -1.710 6.591 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -2.272 -4.658 5.870 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -2.702 -3.320 4.823 1.00 0.00 H new ATOM 0 HG LEU A 101 0.049 -4.095 5.838 1.00 0.00 H new ATOM 0 HD11 LEU A 101 0.597 -4.158 3.402 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -0.735 -5.262 3.819 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.083 -3.704 3.032 1.00 0.00 H new ATOM 0 HD21 LEU A 101 1.014 -2.122 4.682 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.630 -1.514 4.374 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.035 -1.664 6.045 1.00 0.00 H new ATOM 1583 N VAL A 102 -4.668 -1.954 7.119 1.00 0.00 N ATOM 1584 CA VAL A 102 -6.146 -1.916 7.382 1.00 0.00 C ATOM 1585 C VAL A 102 -6.857 -3.306 7.381 1.00 0.00 C ATOM 1586 O VAL A 102 -7.632 -3.603 8.295 1.00 0.00 O ATOM 1587 CB VAL A 102 -6.880 -0.944 6.364 1.00 0.00 C ATOM 1588 CG1 VAL A 102 -6.491 0.527 6.614 1.00 0.00 C ATOM 1589 CG2 VAL A 102 -6.594 -1.337 4.893 1.00 0.00 C ATOM 0 H VAL A 102 -4.327 -1.071 6.739 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.229 -1.538 8.401 1.00 0.00 H new ATOM 0 HB VAL A 102 -7.951 -1.049 6.538 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -7.010 1.167 5.901 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -6.773 0.811 7.628 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -5.414 0.645 6.490 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -7.113 -0.649 4.225 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -5.522 -1.286 4.705 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -6.946 -2.353 4.713 1.00 0.00 H new ATOM 1599 N CYS A 103 -6.584 -4.137 6.360 1.00 0.00 N ATOM 1600 CA CYS A 103 -7.150 -5.501 6.241 1.00 0.00 C ATOM 1601 C CYS A 103 -6.293 -6.325 5.264 1.00 0.00 C ATOM 1602 O CYS A 103 -6.789 -7.257 4.621 1.00 0.00 O ATOM 1603 CB CYS A 103 -8.624 -5.430 5.768 1.00 0.00 C ATOM 1604 SG CYS A 103 -9.489 -7.018 5.717 1.00 0.00 S ATOM 0 H CYS A 103 -5.964 -3.885 5.590 1.00 0.00 H new ATOM 0 HA CYS A 103 -7.136 -5.989 7.215 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -9.170 -4.757 6.429 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -8.649 -4.988 4.772 1.00 0.00 H new ATOM 0 HG CYS A 103 -8.665 -7.949 5.338 1.00 0.00 H new ATOM 1610 N ALA A 104 -4.984 -5.983 5.212 1.00 0.00 N ATOM 1611 CA ALA A 104 -4.001 -6.564 4.274 1.00 0.00 C ATOM 1612 C ALA A 104 -4.249 -6.120 2.824 1.00 0.00 C ATOM 1613 O ALA A 104 -5.117 -5.278 2.546 1.00 0.00 O ATOM 1614 CB ALA A 104 -3.946 -8.095 4.378 1.00 0.00 C ATOM 0 H ALA A 104 -4.577 -5.283 5.833 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.027 -6.176 4.571 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -3.211 -8.481 3.672 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -3.661 -8.381 5.391 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.926 -8.511 4.146 1.00 0.00 H new ATOM 1620 N LEU A 105 -3.423 -6.664 1.920 1.00 0.00 N ATOM 1621 CA LEU A 105 -3.511 -6.421 0.480 1.00 0.00 C ATOM 1622 C LEU A 105 -4.518 -7.404 -0.157 1.00 0.00 C ATOM 1623 O LEU A 105 -4.200 -8.582 -0.358 1.00 0.00 O ATOM 1624 CB LEU A 105 -2.093 -6.583 -0.125 1.00 0.00 C ATOM 1625 CG LEU A 105 -1.000 -5.638 0.471 1.00 0.00 C ATOM 1626 CD1 LEU A 105 0.381 -5.913 -0.133 1.00 0.00 C ATOM 1627 CD2 LEU A 105 -1.392 -4.146 0.316 1.00 0.00 C ATOM 0 H LEU A 105 -2.664 -7.295 2.176 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.870 -5.412 0.278 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.772 -7.615 0.014 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.153 -6.410 -1.200 1.00 0.00 H new ATOM 0 HG LEU A 105 -0.938 -5.855 1.537 1.00 0.00 H new ATOM 0 HD11 LEU A 105 1.112 -5.235 0.308 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.670 -6.943 0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.344 -5.756 -1.211 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.609 -3.518 0.741 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.513 -3.909 -0.741 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.330 -3.960 0.839 1.00 0.00 H new ATOM 1639 N LEU A 106 -5.748 -6.918 -0.436 1.00 0.00 N ATOM 1640 CA LEU A 106 -6.854 -7.775 -0.925 1.00 0.00 C ATOM 1641 C LEU A 106 -7.045 -7.703 -2.469 1.00 0.00 C ATOM 1642 O LEU A 106 -6.943 -8.739 -3.141 1.00 0.00 O ATOM 1643 CB LEU A 106 -8.161 -7.442 -0.152 1.00 0.00 C ATOM 1644 CG LEU A 106 -8.076 -7.572 1.407 1.00 0.00 C ATOM 1645 CD1 LEU A 106 -9.387 -7.122 2.085 1.00 0.00 C ATOM 1646 CD2 LEU A 106 -7.692 -9.012 1.836 1.00 0.00 C ATOM 0 H LEU A 106 -6.001 -5.936 -0.331 1.00 0.00 H new ATOM 0 HA LEU A 106 -6.586 -8.812 -0.722 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -8.458 -6.423 -0.398 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -8.952 -8.100 -0.511 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.284 -6.903 1.744 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -9.292 -7.226 3.166 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -9.586 -6.079 1.837 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -10.211 -7.742 1.732 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.642 -9.067 2.923 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -8.443 -9.713 1.472 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -6.720 -9.270 1.415 1.00 0.00 H new ATOM 1658 N LEU A 107 -7.311 -6.504 -3.040 1.00 0.00 N ATOM 1659 CA LEU A 107 -7.635 -6.359 -4.497 1.00 0.00 C ATOM 1660 C LEU A 107 -6.590 -5.459 -5.213 1.00 0.00 C ATOM 1661 O LEU A 107 -6.646 -4.246 -5.056 1.00 0.00 O ATOM 1662 CB LEU A 107 -9.074 -5.772 -4.724 1.00 0.00 C ATOM 1663 CG LEU A 107 -10.294 -6.675 -4.322 1.00 0.00 C ATOM 1664 CD1 LEU A 107 -10.565 -6.658 -2.805 1.00 0.00 C ATOM 1665 CD2 LEU A 107 -11.565 -6.292 -5.115 1.00 0.00 C ATOM 0 H LEU A 107 -7.310 -5.623 -2.526 1.00 0.00 H new ATOM 0 HA LEU A 107 -7.603 -7.361 -4.926 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -9.148 -4.838 -4.167 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.173 -5.522 -5.780 1.00 0.00 H new ATOM 0 HG LEU A 107 -10.023 -7.697 -4.586 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -11.418 -7.298 -2.581 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -9.686 -7.025 -2.274 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -10.782 -5.639 -2.486 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -12.391 -6.936 -4.813 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -11.822 -5.253 -4.910 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -11.380 -6.417 -6.182 1.00 0.00 H new ATOM 1677 N PRO A 108 -5.618 -6.032 -6.008 1.00 0.00 N ATOM 1678 CA PRO A 108 -4.601 -5.231 -6.747 1.00 0.00 C ATOM 1679 C PRO A 108 -5.202 -4.494 -7.965 1.00 0.00 C ATOM 1680 O PRO A 108 -5.654 -5.131 -8.923 1.00 0.00 O ATOM 1681 CB PRO A 108 -3.558 -6.296 -7.189 1.00 0.00 C ATOM 1682 CG PRO A 108 -4.341 -7.569 -7.295 1.00 0.00 C ATOM 1683 CD PRO A 108 -5.435 -7.489 -6.242 1.00 0.00 C ATOM 0 HA PRO A 108 -4.175 -4.438 -6.133 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -3.100 -6.031 -8.142 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -2.751 -6.386 -6.462 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -4.768 -7.680 -8.291 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -3.700 -8.434 -7.125 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -6.357 -7.954 -6.591 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -5.144 -8.005 -5.327 1.00 0.00 H new ATOM 1691 N VAL A 109 -5.199 -3.153 -7.925 1.00 0.00 N ATOM 1692 CA VAL A 109 -5.793 -2.313 -8.976 1.00 0.00 C ATOM 1693 C VAL A 109 -4.661 -1.544 -9.710 1.00 0.00 C ATOM 1694 O VAL A 109 -4.204 -0.495 -9.205 1.00 0.00 O ATOM 1695 CB VAL A 109 -6.872 -1.317 -8.386 1.00 0.00 C ATOM 1696 CG1 VAL A 109 -7.643 -0.599 -9.523 1.00 0.00 C ATOM 1697 CG2 VAL A 109 -7.861 -2.036 -7.436 1.00 0.00 C ATOM 1698 OXT VAL A 109 -4.213 -2.008 -10.781 1.00 0.00 O ATOM 0 H VAL A 109 -4.784 -2.619 -7.161 1.00 0.00 H new ATOM 0 HA VAL A 109 -6.315 -2.953 -9.687 1.00 0.00 H new ATOM 0 HB VAL A 109 -6.334 -0.570 -7.802 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -8.379 0.080 -9.092 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -6.942 -0.033 -10.136 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -8.151 -1.339 -10.142 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -8.585 -1.317 -7.053 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -8.384 -2.822 -7.982 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -7.311 -2.476 -6.604 1.00 0.00 H new TER 1708 VAL A 109