USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 824 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: B 23 THR OG1 : rot 170:sc= -4.85! USER MOD Set 1.2: B 26 GLN :FLIP amide:sc= -4.59! C(o=-18!,f=-9.4!) USER MOD Set 2.1: A 23 THR OG1 : rot 145:sc= -4.38! USER MOD Set 2.2: A 25 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 26 GLN :FLIP amide:sc= -2.34! C(o=-11!,f=-6.7!) USER MOD Single : A 1 GLU N :NH3+ -178:sc= -0.52 (180deg=-0.532) USER MOD Single : A 3 GLN :FLIP amide:sc= -14.7! C(o=-26!,f=-15!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -62:sc= 0.203 USER MOD Single : A 15 GLN : amide:sc= -2.64! C(o=-2.6!,f=-8.4!) USER MOD Single : A 16 ASN : amide:sc= -3.45! C(o=-3.4!,f=-6.7!) USER MOD Single : A 29 ASN : amide:sc= -3.91! C(o=-3.9!,f=-4.6!) USER MOD Single : A 30 LYS NZ :NH3+ 166:sc= -0.0583 (180deg=-0.305) USER MOD Single : A 37 THR OG1 : rot -105:sc= 0.565 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN :FLIP amide:sc= -0.479 F(o=-5.3!,f=-0.48) USER MOD Single : A 49 THR OG1 : rot 180:sc= -2.81! USER MOD Single : B 1 GLU N :NH3+ -132:sc= 0.0798 (180deg=-0.186) USER MOD Single : B 3 GLN : amide:sc= -27.2! C(o=-27!,f=-47!) USER MOD Single : B 4 THR OG1 : rot -45:sc= 0.91 USER MOD Single : B 6 THR OG1 : rot 180:sc= 0 USER MOD Single : B 8 THR OG1 : rot -62:sc= 0.61 USER MOD Single : B 15 GLN :FLIP amide:sc= -0.0833 F(o=-1.3,f=-0.083) USER MOD Single : B 16 ASN :FLIP amide:sc= -1.72 F(o=-8.1!,f=-1.7) USER MOD Single : B 25 SER OG : rot 180:sc= 0 USER MOD Single : B 29 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : B 30 LYS NZ :NH3+ 167:sc= -0.0366 (180deg=-0.271) USER MOD Single : B 37 THR OG1 : rot -21:sc= 0.827 USER MOD Single : B 46 TYR OH : rot 180:sc= 0 USER MOD Single : B 48 ASN : amide:sc= -10.7! C(o=-11!,f=-16!) USER MOD Single : B 49 THR OG1 : rot 57:sc= 0.868 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 22.767 -14.472 0.170 1.00 0.00 N ATOM 2 CA GLU A 1 21.984 -15.294 1.130 1.00 0.00 C ATOM 3 C GLU A 1 21.102 -14.412 2.008 1.00 0.00 C ATOM 4 O GLU A 1 20.757 -14.784 3.130 1.00 0.00 O ATOM 5 CB GLU A 1 22.927 -16.120 2.007 1.00 0.00 C ATOM 6 CG GLU A 1 23.811 -17.073 1.220 1.00 0.00 C ATOM 7 CD GLU A 1 24.745 -17.870 2.109 1.00 0.00 C ATOM 8 OE1 GLU A 1 25.137 -17.350 3.174 1.00 0.00 O ATOM 9 OE2 GLU A 1 25.086 -19.014 1.739 1.00 0.00 O ATOM 0 H1 GLU A 1 23.334 -15.096 -0.439 1.00 0.00 H new ATOM 0 H2 GLU A 1 22.117 -13.911 -0.417 1.00 0.00 H new ATOM 0 H3 GLU A 1 23.398 -13.833 0.694 1.00 0.00 H new ATOM 0 HA GLU A 1 21.343 -15.965 0.559 1.00 0.00 H new ATOM 0 HB2 GLU A 1 23.559 -15.444 2.584 1.00 0.00 H new ATOM 0 HB3 GLU A 1 22.336 -16.692 2.722 1.00 0.00 H new ATOM 0 HG2 GLU A 1 23.183 -17.759 0.651 1.00 0.00 H new ATOM 0 HG3 GLU A 1 24.398 -16.506 0.498 1.00 0.00 H new ATOM 18 N ALA A 2 20.741 -13.243 1.491 1.00 0.00 N ATOM 19 CA ALA A 2 19.901 -12.308 2.229 1.00 0.00 C ATOM 20 C ALA A 2 18.493 -12.255 1.646 1.00 0.00 C ATOM 21 O ALA A 2 18.100 -11.261 1.034 1.00 0.00 O ATOM 22 CB ALA A 2 20.527 -10.922 2.227 1.00 0.00 C ATOM 0 H ALA A 2 21.017 -12.920 0.564 1.00 0.00 H new ATOM 0 HA ALA A 2 19.826 -12.660 3.258 1.00 0.00 H new ATOM 0 HB1 ALA A 2 19.889 -10.234 2.782 1.00 0.00 H new ATOM 0 HB2 ALA A 2 21.509 -10.966 2.698 1.00 0.00 H new ATOM 0 HB3 ALA A 2 20.632 -10.572 1.200 1.00 0.00 H new ATOM 28 N GLN A 3 17.736 -13.330 1.841 1.00 0.00 N ATOM 29 CA GLN A 3 16.369 -13.404 1.337 1.00 0.00 C ATOM 30 C GLN A 3 15.389 -12.797 2.334 1.00 0.00 C ATOM 31 O GLN A 3 15.093 -13.392 3.370 1.00 0.00 O ATOM 32 CB GLN A 3 15.989 -14.858 1.050 1.00 0.00 C ATOM 33 CG GLN A 3 16.882 -15.528 0.018 1.00 0.00 C ATOM 34 CD GLN A 3 18.337 -15.567 0.444 1.00 0.00 C ATOM 35 OE1 GLN A 3 19.086 -14.530 0.088 1.00 0.00 O flip ATOM 36 NE2 GLN A 3 18.782 -16.518 1.086 1.00 0.00 N flip ATOM 0 H GLN A 3 18.046 -14.161 2.344 1.00 0.00 H new ATOM 0 HA GLN A 3 16.317 -12.832 0.411 1.00 0.00 H new ATOM 0 HB2 GLN A 3 16.032 -15.426 1.979 1.00 0.00 H new ATOM 0 HB3 GLN A 3 14.957 -14.893 0.702 1.00 0.00 H new ATOM 0 HG2 GLN A 3 16.531 -16.545 -0.156 1.00 0.00 H new ATOM 0 HG3 GLN A 3 16.799 -14.996 -0.930 1.00 0.00 H new ATOM 0 HE21 GLN A 3 18.170 -17.294 1.338 1.00 0.00 H new ATOM 0 HE22 GLN A 3 19.763 -16.530 1.366 1.00 0.00 H new ATOM 45 N THR A 4 14.887 -11.607 2.016 1.00 0.00 N ATOM 46 CA THR A 4 13.944 -10.918 2.888 1.00 0.00 C ATOM 47 C THR A 4 13.062 -9.961 2.096 1.00 0.00 C ATOM 48 O THR A 4 13.501 -9.363 1.113 1.00 0.00 O ATOM 49 CB THR A 4 14.672 -10.130 3.992 1.00 0.00 C ATOM 50 OG1 THR A 4 15.542 -9.153 3.406 1.00 0.00 O ATOM 51 CG2 THR A 4 15.479 -11.064 4.882 1.00 0.00 C ATOM 0 H THR A 4 15.118 -11.101 1.161 1.00 0.00 H new ATOM 0 HA THR A 4 13.322 -11.685 3.349 1.00 0.00 H new ATOM 0 HB THR A 4 13.922 -9.628 4.603 1.00 0.00 H new ATOM 0 HG1 THR A 4 16.000 -8.655 4.115 1.00 0.00 H new ATOM 0 HG21 THR A 4 15.984 -10.484 5.654 1.00 0.00 H new ATOM 0 HG22 THR A 4 14.812 -11.788 5.350 1.00 0.00 H new ATOM 0 HG23 THR A 4 16.220 -11.590 4.280 1.00 0.00 H new ATOM 59 N GLU A 5 11.815 -9.814 2.533 1.00 0.00 N ATOM 60 CA GLU A 5 10.875 -8.915 1.874 1.00 0.00 C ATOM 61 C GLU A 5 10.880 -7.544 2.542 1.00 0.00 C ATOM 62 O GLU A 5 10.833 -7.439 3.767 1.00 0.00 O ATOM 63 CB GLU A 5 9.464 -9.505 1.906 1.00 0.00 C ATOM 64 CG GLU A 5 9.353 -10.859 1.225 1.00 0.00 C ATOM 65 CD GLU A 5 7.942 -11.414 1.257 1.00 0.00 C ATOM 66 OE1 GLU A 5 7.204 -11.105 2.217 1.00 0.00 O ATOM 67 OE2 GLU A 5 7.575 -12.157 0.323 1.00 0.00 O ATOM 0 H GLU A 5 11.433 -10.306 3.341 1.00 0.00 H new ATOM 0 HA GLU A 5 11.188 -8.797 0.836 1.00 0.00 H new ATOM 0 HB2 GLU A 5 9.144 -9.603 2.943 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.777 -8.809 1.425 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.680 -10.769 0.189 1.00 0.00 H new ATOM 0 HG3 GLU A 5 10.028 -11.563 1.712 1.00 0.00 H new ATOM 74 N THR A 6 10.938 -6.496 1.727 1.00 0.00 N ATOM 75 CA THR A 6 10.951 -5.131 2.241 1.00 0.00 C ATOM 76 C THR A 6 9.624 -4.429 1.973 1.00 0.00 C ATOM 77 O THR A 6 8.918 -4.758 1.020 1.00 0.00 O ATOM 78 CB THR A 6 12.091 -4.306 1.615 1.00 0.00 C ATOM 79 OG1 THR A 6 13.356 -4.904 1.924 1.00 0.00 O ATOM 80 CG2 THR A 6 12.063 -2.873 2.126 1.00 0.00 C ATOM 0 H THR A 6 10.977 -6.565 0.710 1.00 0.00 H new ATOM 0 HA THR A 6 11.111 -5.200 3.317 1.00 0.00 H new ATOM 0 HB THR A 6 11.951 -4.293 0.534 1.00 0.00 H new ATOM 0 HG1 THR A 6 14.075 -4.374 1.521 1.00 0.00 H new ATOM 0 HG21 THR A 6 12.877 -2.308 1.671 1.00 0.00 H new ATOM 0 HG22 THR A 6 11.111 -2.412 1.864 1.00 0.00 H new ATOM 0 HG23 THR A 6 12.181 -2.871 3.210 1.00 0.00 H new ATOM 88 N CYS A 7 9.292 -3.461 2.820 1.00 0.00 N ATOM 89 CA CYS A 7 8.051 -2.709 2.675 1.00 0.00 C ATOM 90 C CYS A 7 8.299 -1.212 2.827 1.00 0.00 C ATOM 91 O CYS A 7 7.359 -0.418 2.859 1.00 0.00 O ATOM 92 CB CYS A 7 7.023 -3.175 3.706 1.00 0.00 C ATOM 93 SG CYS A 7 6.520 -4.917 3.525 1.00 0.00 S ATOM 0 H CYS A 7 9.865 -3.178 3.615 1.00 0.00 H new ATOM 0 HA CYS A 7 7.660 -2.894 1.674 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.435 -3.029 4.705 1.00 0.00 H new ATOM 0 HB3 CYS A 7 6.138 -2.543 3.631 1.00 0.00 H new ATOM 98 N THR A 8 9.569 -0.833 2.923 1.00 0.00 N ATOM 99 CA THR A 8 9.937 0.570 3.071 1.00 0.00 C ATOM 100 C THR A 8 10.130 1.235 1.713 1.00 0.00 C ATOM 101 O THR A 8 11.241 1.623 1.352 1.00 0.00 O ATOM 102 CB THR A 8 11.229 0.730 3.896 1.00 0.00 C ATOM 103 OG1 THR A 8 11.560 2.117 4.025 1.00 0.00 O ATOM 104 CG2 THR A 8 12.383 -0.013 3.241 1.00 0.00 C ATOM 0 H THR A 8 10.360 -1.477 2.901 1.00 0.00 H new ATOM 0 HA THR A 8 9.116 1.057 3.598 1.00 0.00 H new ATOM 0 HB THR A 8 11.058 0.305 4.885 1.00 0.00 H new ATOM 0 HG1 THR A 8 11.730 2.497 3.138 1.00 0.00 H new ATOM 0 HG21 THR A 8 13.284 0.114 3.841 1.00 0.00 H new ATOM 0 HG22 THR A 8 12.140 -1.073 3.171 1.00 0.00 H new ATOM 0 HG23 THR A 8 12.553 0.387 2.241 1.00 0.00 H new ATOM 112 N VAL A 9 9.040 1.363 0.963 1.00 0.00 N ATOM 113 CA VAL A 9 9.088 1.981 -0.357 1.00 0.00 C ATOM 114 C VAL A 9 8.679 3.449 -0.291 1.00 0.00 C ATOM 115 O VAL A 9 8.210 3.927 0.741 1.00 0.00 O ATOM 116 CB VAL A 9 8.171 1.249 -1.354 1.00 0.00 C ATOM 117 CG1 VAL A 9 8.238 1.907 -2.723 1.00 0.00 C ATOM 118 CG2 VAL A 9 8.546 -0.222 -1.443 1.00 0.00 C ATOM 0 H VAL A 9 8.113 1.047 1.247 1.00 0.00 H new ATOM 0 HA VAL A 9 10.119 1.908 -0.703 1.00 0.00 H new ATOM 0 HB VAL A 9 7.145 1.318 -0.993 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.584 1.376 -3.414 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.916 2.945 -2.644 1.00 0.00 H new ATOM 0 HG13 VAL A 9 9.262 1.872 -3.094 1.00 0.00 H new ATOM 0 HG21 VAL A 9 7.887 -0.723 -2.152 1.00 0.00 H new ATOM 0 HG22 VAL A 9 9.579 -0.315 -1.779 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.441 -0.684 -0.461 1.00 0.00 H new ATOM 128 N ALA A 10 8.855 4.156 -1.402 1.00 0.00 N ATOM 129 CA ALA A 10 8.494 5.566 -1.476 1.00 0.00 C ATOM 130 C ALA A 10 7.041 5.738 -1.903 1.00 0.00 C ATOM 131 O ALA A 10 6.675 5.423 -3.035 1.00 0.00 O ATOM 132 CB ALA A 10 9.419 6.297 -2.438 1.00 0.00 C ATOM 0 H ALA A 10 9.246 3.775 -2.264 1.00 0.00 H new ATOM 0 HA ALA A 10 8.607 5.998 -0.482 1.00 0.00 H new ATOM 0 HB1 ALA A 10 9.138 7.349 -2.484 1.00 0.00 H new ATOM 0 HB2 ALA A 10 10.448 6.211 -2.089 1.00 0.00 H new ATOM 0 HB3 ALA A 10 9.334 5.855 -3.431 1.00 0.00 H new ATOM 138 N PRO A 11 6.192 6.238 -0.992 1.00 0.00 N ATOM 139 CA PRO A 11 4.769 6.442 -1.263 1.00 0.00 C ATOM 140 C PRO A 11 4.520 7.071 -2.629 1.00 0.00 C ATOM 141 O PRO A 11 3.421 6.980 -3.175 1.00 0.00 O ATOM 142 CB PRO A 11 4.342 7.394 -0.147 1.00 0.00 C ATOM 143 CG PRO A 11 5.248 7.068 0.990 1.00 0.00 C ATOM 144 CD PRO A 11 6.559 6.641 0.379 1.00 0.00 C ATOM 0 HA PRO A 11 4.214 5.504 -1.284 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.447 8.435 -0.452 1.00 0.00 H new ATOM 0 HB3 PRO A 11 3.297 7.245 0.123 1.00 0.00 H new ATOM 0 HG2 PRO A 11 5.385 7.934 1.638 1.00 0.00 H new ATOM 0 HG3 PRO A 11 4.828 6.272 1.605 1.00 0.00 H new ATOM 0 HD2 PRO A 11 7.283 7.455 0.376 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.009 5.816 0.932 1.00 0.00 H new ATOM 152 N ARG A 12 5.550 7.707 -3.178 1.00 0.00 N ATOM 153 CA ARG A 12 5.445 8.347 -4.483 1.00 0.00 C ATOM 154 C ARG A 12 5.822 7.375 -5.597 1.00 0.00 C ATOM 155 O ARG A 12 5.322 7.475 -6.718 1.00 0.00 O ATOM 156 CB ARG A 12 6.343 9.583 -4.542 1.00 0.00 C ATOM 157 CG ARG A 12 6.009 10.628 -3.490 1.00 0.00 C ATOM 158 CD ARG A 12 4.575 11.115 -3.625 1.00 0.00 C ATOM 159 NE ARG A 12 4.238 12.110 -2.611 1.00 0.00 N ATOM 160 CZ ARG A 12 2.996 12.493 -2.340 1.00 0.00 C ATOM 161 NH1 ARG A 12 1.977 11.963 -3.003 1.00 0.00 N ATOM 162 NH2 ARG A 12 2.770 13.406 -1.404 1.00 0.00 N ATOM 0 H ARG A 12 6.467 7.793 -2.739 1.00 0.00 H new ATOM 0 HA ARG A 12 4.409 8.653 -4.628 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.381 9.274 -4.419 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.260 10.035 -5.530 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.159 10.206 -2.496 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.692 11.472 -3.585 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.430 11.544 -4.616 1.00 0.00 H new ATOM 0 HD3 ARG A 12 3.895 10.267 -3.542 1.00 0.00 H new ATOM 0 HE ARG A 12 4.999 12.535 -2.081 1.00 0.00 H new ATOM 0 HH11 ARG A 12 2.147 11.260 -3.722 1.00 0.00 H new ATOM 0 HH12 ARG A 12 1.023 12.258 -2.794 1.00 0.00 H new ATOM 0 HH21 ARG A 12 3.551 13.815 -0.891 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.815 13.699 -1.197 1.00 0.00 H new ATOM 176 N GLU A 13 6.713 6.440 -5.282 1.00 0.00 N ATOM 177 CA GLU A 13 7.173 5.462 -6.260 1.00 0.00 C ATOM 178 C GLU A 13 6.606 4.078 -5.960 1.00 0.00 C ATOM 179 O GLU A 13 6.815 3.133 -6.720 1.00 0.00 O ATOM 180 CB GLU A 13 8.701 5.407 -6.278 1.00 0.00 C ATOM 181 CG GLU A 13 9.354 6.733 -6.632 1.00 0.00 C ATOM 182 CD GLU A 13 10.868 6.654 -6.636 1.00 0.00 C ATOM 183 OE1 GLU A 13 11.444 6.348 -7.701 1.00 0.00 O ATOM 184 OE2 GLU A 13 11.478 6.899 -5.574 1.00 0.00 O ATOM 0 H GLU A 13 7.130 6.340 -4.357 1.00 0.00 H new ATOM 0 HA GLU A 13 6.815 5.774 -7.241 1.00 0.00 H new ATOM 0 HB2 GLU A 13 9.056 5.087 -5.298 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.021 4.651 -6.996 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.008 7.053 -7.615 1.00 0.00 H new ATOM 0 HG3 GLU A 13 9.035 7.493 -5.918 1.00 0.00 H new ATOM 191 N ARG A 14 5.887 3.965 -4.847 1.00 0.00 N ATOM 192 CA ARG A 14 5.291 2.693 -4.452 1.00 0.00 C ATOM 193 C ARG A 14 4.431 2.123 -5.574 1.00 0.00 C ATOM 194 O ARG A 14 3.634 2.837 -6.184 1.00 0.00 O ATOM 195 CB ARG A 14 4.446 2.868 -3.187 1.00 0.00 C ATOM 196 CG ARG A 14 5.246 3.327 -1.980 1.00 0.00 C ATOM 197 CD ARG A 14 4.367 3.458 -0.746 1.00 0.00 C ATOM 198 NE ARG A 14 5.123 3.910 0.418 1.00 0.00 N ATOM 199 CZ ARG A 14 4.563 4.230 1.580 1.00 0.00 C ATOM 200 NH1 ARG A 14 3.248 4.147 1.731 1.00 0.00 N ATOM 201 NH2 ARG A 14 5.318 4.634 2.593 1.00 0.00 N ATOM 0 H ARG A 14 5.703 4.736 -4.205 1.00 0.00 H new ATOM 0 HA ARG A 14 6.100 1.993 -4.245 1.00 0.00 H new ATOM 0 HB2 ARG A 14 3.656 3.592 -3.385 1.00 0.00 H new ATOM 0 HB3 ARG A 14 3.959 1.922 -2.951 1.00 0.00 H new ATOM 0 HG2 ARG A 14 6.049 2.616 -1.783 1.00 0.00 H new ATOM 0 HG3 ARG A 14 5.716 4.286 -2.197 1.00 0.00 H new ATOM 0 HD2 ARG A 14 3.559 4.161 -0.949 1.00 0.00 H new ATOM 0 HD3 ARG A 14 3.904 2.496 -0.527 1.00 0.00 H new ATOM 0 HE ARG A 14 6.137 3.984 0.335 1.00 0.00 H new ATOM 0 HH11 ARG A 14 2.664 3.837 0.954 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.821 4.393 2.624 1.00 0.00 H new ATOM 0 HH21 ARG A 14 6.330 4.699 2.481 1.00 0.00 H new ATOM 0 HH22 ARG A 14 4.887 4.879 3.484 1.00 0.00 H new ATOM 215 N GLN A 15 4.595 0.832 -5.840 1.00 0.00 N ATOM 216 CA GLN A 15 3.824 0.162 -6.880 1.00 0.00 C ATOM 217 C GLN A 15 2.567 -0.476 -6.297 1.00 0.00 C ATOM 218 O GLN A 15 2.529 -1.680 -6.045 1.00 0.00 O ATOM 219 CB GLN A 15 4.677 -0.904 -7.570 1.00 0.00 C ATOM 220 CG GLN A 15 5.925 -0.347 -8.237 1.00 0.00 C ATOM 221 CD GLN A 15 5.604 0.676 -9.310 1.00 0.00 C ATOM 222 OE1 GLN A 15 4.596 1.379 -9.232 1.00 0.00 O ATOM 223 NE2 GLN A 15 6.461 0.763 -10.320 1.00 0.00 N ATOM 0 H GLN A 15 5.255 0.229 -5.350 1.00 0.00 H new ATOM 0 HA GLN A 15 3.525 0.909 -7.615 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.972 -1.653 -6.835 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.071 -1.413 -8.319 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.563 0.112 -7.481 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.493 -1.166 -8.679 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.284 0.161 -10.344 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.297 1.432 -11.072 1.00 0.00 H new ATOM 232 N ASN A 16 1.542 0.341 -6.082 1.00 0.00 N ATOM 233 CA ASN A 16 0.285 -0.141 -5.522 1.00 0.00 C ATOM 234 C ASN A 16 0.067 -1.611 -5.865 1.00 0.00 C ATOM 235 O ASN A 16 0.539 -2.095 -6.895 1.00 0.00 O ATOM 236 CB ASN A 16 -0.885 0.698 -6.039 1.00 0.00 C ATOM 237 CG ASN A 16 -2.208 0.282 -5.427 1.00 0.00 C ATOM 238 OD1 ASN A 16 -2.257 -0.209 -4.299 1.00 0.00 O ATOM 239 ND2 ASN A 16 -3.292 0.481 -6.168 1.00 0.00 N ATOM 0 H ASN A 16 1.557 1.340 -6.287 1.00 0.00 H new ATOM 0 HA ASN A 16 0.337 -0.044 -4.438 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -0.700 1.749 -5.819 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -0.944 0.605 -7.123 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -4.211 0.224 -5.807 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -3.206 0.891 -7.098 1.00 0.00 H new ATOM 246 N CYS A 17 -0.636 -2.321 -4.989 1.00 0.00 N ATOM 247 CA CYS A 17 -0.891 -3.743 -5.183 1.00 0.00 C ATOM 248 C CYS A 17 -2.385 -4.031 -5.127 1.00 0.00 C ATOM 249 O CYS A 17 -2.808 -5.187 -5.115 1.00 0.00 O ATOM 250 CB CYS A 17 -0.158 -4.563 -4.121 1.00 0.00 C ATOM 251 SG CYS A 17 -0.453 -6.357 -4.224 1.00 0.00 S ATOM 0 H CYS A 17 -1.040 -1.934 -4.136 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.519 -4.028 -6.167 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.912 -4.377 -4.210 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.462 -4.213 -3.135 1.00 0.00 H new ATOM 256 N GLY A 18 -3.179 -2.966 -5.089 1.00 0.00 N ATOM 257 CA GLY A 18 -4.619 -3.114 -5.026 1.00 0.00 C ATOM 258 C GLY A 18 -5.340 -1.796 -5.228 1.00 0.00 C ATOM 259 O GLY A 18 -5.030 -1.045 -6.151 1.00 0.00 O ATOM 0 H GLY A 18 -2.849 -2.001 -5.101 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.943 -3.824 -5.787 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.897 -3.534 -4.059 1.00 0.00 H new ATOM 263 N PHE A 19 -6.302 -1.515 -4.357 1.00 0.00 N ATOM 264 CA PHE A 19 -7.054 -0.267 -4.424 1.00 0.00 C ATOM 265 C PHE A 19 -6.621 0.689 -3.317 1.00 0.00 C ATOM 266 O PHE A 19 -5.822 0.331 -2.452 1.00 0.00 O ATOM 267 CB PHE A 19 -8.556 -0.545 -4.327 1.00 0.00 C ATOM 268 CG PHE A 19 -8.958 -1.272 -3.075 1.00 0.00 C ATOM 269 CD1 PHE A 19 -8.781 -2.642 -2.968 1.00 0.00 C ATOM 270 CD2 PHE A 19 -9.513 -0.585 -2.008 1.00 0.00 C ATOM 271 CE1 PHE A 19 -9.152 -3.315 -1.819 1.00 0.00 C ATOM 272 CE2 PHE A 19 -9.885 -1.252 -0.856 1.00 0.00 C ATOM 273 CZ PHE A 19 -9.705 -2.618 -0.762 1.00 0.00 C ATOM 0 H PHE A 19 -6.580 -2.134 -3.596 1.00 0.00 H new ATOM 0 HA PHE A 19 -6.845 0.205 -5.384 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -9.095 0.401 -4.376 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -8.864 -1.132 -5.192 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -8.348 -3.190 -3.792 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -9.657 0.483 -2.077 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -9.010 -4.383 -1.748 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.316 -0.705 -0.030 1.00 0.00 H new ATOM 0 HZ PHE A 19 -9.996 -3.141 0.137 1.00 0.00 H new ATOM 283 N PRO A 20 -7.141 1.927 -3.338 1.00 0.00 N ATOM 284 CA PRO A 20 -6.792 2.949 -2.347 1.00 0.00 C ATOM 285 C PRO A 20 -7.318 2.614 -0.954 1.00 0.00 C ATOM 286 O PRO A 20 -6.729 3.005 0.053 1.00 0.00 O ATOM 287 CB PRO A 20 -7.467 4.214 -2.884 1.00 0.00 C ATOM 288 CG PRO A 20 -8.583 3.717 -3.736 1.00 0.00 C ATOM 289 CD PRO A 20 -8.102 2.425 -4.336 1.00 0.00 C ATOM 0 HA PRO A 20 -5.713 3.044 -2.227 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -7.838 4.840 -2.072 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -6.769 4.821 -3.461 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.485 3.561 -3.145 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -8.832 4.439 -4.513 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -8.922 1.723 -4.491 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -7.630 2.583 -5.306 1.00 0.00 H new ATOM 297 N GLY A 21 -8.433 1.892 -0.905 1.00 0.00 N ATOM 298 CA GLY A 21 -9.025 1.530 0.370 1.00 0.00 C ATOM 299 C GLY A 21 -8.487 0.218 0.909 1.00 0.00 C ATOM 300 O GLY A 21 -8.765 -0.154 2.048 1.00 0.00 O ATOM 0 H GLY A 21 -8.937 1.552 -1.724 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -8.833 2.322 1.094 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -10.107 1.456 0.257 1.00 0.00 H new ATOM 304 N VAL A 22 -7.714 -0.484 0.086 1.00 0.00 N ATOM 305 CA VAL A 22 -7.139 -1.764 0.482 1.00 0.00 C ATOM 306 C VAL A 22 -6.853 -1.804 1.979 1.00 0.00 C ATOM 307 O VAL A 22 -6.654 -0.767 2.612 1.00 0.00 O ATOM 308 CB VAL A 22 -5.837 -2.054 -0.286 1.00 0.00 C ATOM 309 CG1 VAL A 22 -6.109 -2.165 -1.777 1.00 0.00 C ATOM 310 CG2 VAL A 22 -4.802 -0.976 -0.006 1.00 0.00 C ATOM 0 H VAL A 22 -7.472 -0.187 -0.859 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.876 -2.529 0.238 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.439 -3.008 0.059 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.176 -2.370 -2.303 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.814 -2.976 -1.959 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.532 -1.228 -2.140 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.888 -1.197 -0.557 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.191 -0.008 -0.322 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.584 -0.949 1.062 1.00 0.00 H new ATOM 320 N THR A 23 -6.834 -3.009 2.539 1.00 0.00 N ATOM 321 CA THR A 23 -6.573 -3.192 3.961 1.00 0.00 C ATOM 322 C THR A 23 -5.395 -4.133 4.187 1.00 0.00 C ATOM 323 O THR A 23 -4.881 -4.734 3.244 1.00 0.00 O ATOM 324 CB THR A 23 -7.810 -3.751 4.690 1.00 0.00 C ATOM 325 OG1 THR A 23 -8.174 -5.019 4.133 1.00 0.00 O ATOM 326 CG2 THR A 23 -8.983 -2.788 4.581 1.00 0.00 C ATOM 0 H THR A 23 -6.997 -3.876 2.027 1.00 0.00 H new ATOM 0 HA THR A 23 -6.333 -2.210 4.368 1.00 0.00 H new ATOM 0 HB THR A 23 -7.559 -3.875 5.743 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.516 -5.602 4.843 1.00 0.00 H new ATOM 0 HG21 THR A 23 -9.845 -3.204 5.103 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.712 -1.833 5.031 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.233 -2.637 3.531 1.00 0.00 H new ATOM 334 N PRO A 24 -4.952 -4.271 5.447 1.00 0.00 N ATOM 335 CA PRO A 24 -3.830 -5.145 5.802 1.00 0.00 C ATOM 336 C PRO A 24 -4.120 -6.611 5.496 1.00 0.00 C ATOM 337 O PRO A 24 -3.219 -7.371 5.141 1.00 0.00 O ATOM 338 CB PRO A 24 -3.665 -4.934 7.311 1.00 0.00 C ATOM 339 CG PRO A 24 -4.975 -4.389 7.771 1.00 0.00 C ATOM 340 CD PRO A 24 -5.514 -3.586 6.623 1.00 0.00 C ATOM 0 HA PRO A 24 -2.934 -4.905 5.229 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -3.428 -5.870 7.817 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -2.852 -4.241 7.526 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -5.660 -5.193 8.040 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -4.850 -3.767 8.657 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.604 -3.586 6.607 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.196 -2.545 6.674 1.00 0.00 H new ATOM 348 N SER A 25 -5.384 -7.000 5.632 1.00 0.00 N ATOM 349 CA SER A 25 -5.795 -8.371 5.356 1.00 0.00 C ATOM 350 C SER A 25 -6.112 -8.555 3.876 1.00 0.00 C ATOM 351 O SER A 25 -5.808 -9.595 3.290 1.00 0.00 O ATOM 352 CB SER A 25 -7.018 -8.739 6.200 1.00 0.00 C ATOM 353 OG SER A 25 -8.113 -7.888 5.909 1.00 0.00 O ATOM 0 H SER A 25 -6.141 -6.385 5.932 1.00 0.00 H new ATOM 0 HA SER A 25 -4.969 -9.032 5.618 1.00 0.00 H new ATOM 0 HB2 SER A 25 -7.298 -9.775 6.008 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.768 -8.667 7.259 1.00 0.00 H new ATOM 0 HG SER A 25 -8.882 -8.144 6.460 1.00 0.00 H new ATOM 359 N GLN A 26 -6.724 -7.539 3.277 1.00 0.00 N ATOM 360 CA GLN A 26 -7.082 -7.585 1.865 1.00 0.00 C ATOM 361 C GLN A 26 -5.837 -7.524 0.986 1.00 0.00 C ATOM 362 O GLN A 26 -5.731 -8.244 -0.008 1.00 0.00 O ATOM 363 CB GLN A 26 -8.025 -6.432 1.521 1.00 0.00 C ATOM 364 CG GLN A 26 -9.330 -6.462 2.301 1.00 0.00 C ATOM 365 CD GLN A 26 -10.227 -5.282 1.984 1.00 0.00 C ATOM 366 OE1 GLN A 26 -9.620 -4.150 1.646 1.00 0.00 O flip ATOM 367 NE2 GLN A 26 -11.453 -5.386 2.043 1.00 0.00 N flip ATOM 0 H GLN A 26 -6.983 -6.672 3.749 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.591 -8.530 1.673 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -7.517 -5.487 1.715 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.248 -6.461 0.454 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.861 -7.387 2.078 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.111 -6.470 3.369 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -11.877 -6.275 2.307 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -12.044 -4.583 1.828 1.00 0.00 H new ATOM 376 N CYS A 27 -4.895 -6.665 1.361 1.00 0.00 N ATOM 377 CA CYS A 27 -3.648 -6.526 0.618 1.00 0.00 C ATOM 378 C CYS A 27 -2.723 -7.708 0.887 1.00 0.00 C ATOM 379 O CYS A 27 -2.151 -8.283 -0.038 1.00 0.00 O ATOM 380 CB CYS A 27 -2.948 -5.219 0.997 1.00 0.00 C ATOM 381 SG CYS A 27 -1.377 -4.933 0.119 1.00 0.00 S ATOM 0 H CYS A 27 -4.971 -6.055 2.175 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.886 -6.507 -0.446 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -3.622 -4.387 0.794 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.757 -5.220 2.070 1.00 0.00 H new ATOM 386 N ALA A 28 -2.589 -8.070 2.158 1.00 0.00 N ATOM 387 CA ALA A 28 -1.750 -9.197 2.546 1.00 0.00 C ATOM 388 C ALA A 28 -2.218 -10.484 1.877 1.00 0.00 C ATOM 389 O ALA A 28 -1.413 -11.354 1.549 1.00 0.00 O ATOM 390 CB ALA A 28 -1.749 -9.356 4.059 1.00 0.00 C ATOM 0 H ALA A 28 -3.050 -7.600 2.937 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.732 -8.994 2.212 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.119 -10.201 4.336 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.361 -8.448 4.520 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.767 -9.533 4.407 1.00 0.00 H new ATOM 396 N ASN A 29 -3.527 -10.593 1.671 1.00 0.00 N ATOM 397 CA ASN A 29 -4.104 -11.766 1.024 1.00 0.00 C ATOM 398 C ASN A 29 -3.421 -12.039 -0.312 1.00 0.00 C ATOM 399 O ASN A 29 -3.477 -13.153 -0.833 1.00 0.00 O ATOM 400 CB ASN A 29 -5.606 -11.569 0.813 1.00 0.00 C ATOM 401 CG ASN A 29 -6.259 -12.766 0.150 1.00 0.00 C ATOM 402 OD1 ASN A 29 -5.628 -13.481 -0.628 1.00 0.00 O ATOM 403 ND2 ASN A 29 -7.532 -12.990 0.456 1.00 0.00 N ATOM 0 H ASN A 29 -4.208 -9.884 1.943 1.00 0.00 H new ATOM 0 HA ASN A 29 -3.946 -12.626 1.675 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -6.084 -11.384 1.775 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -5.771 -10.683 0.200 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -8.025 -13.781 0.041 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -8.017 -12.371 1.106 1.00 0.00 H new ATOM 410 N LYS A 30 -2.778 -11.014 -0.861 1.00 0.00 N ATOM 411 CA LYS A 30 -2.082 -11.141 -2.136 1.00 0.00 C ATOM 412 C LYS A 30 -0.595 -11.403 -1.921 1.00 0.00 C ATOM 413 O LYS A 30 0.062 -12.030 -2.750 1.00 0.00 O ATOM 414 CB LYS A 30 -2.273 -9.874 -2.972 1.00 0.00 C ATOM 415 CG LYS A 30 -3.727 -9.561 -3.280 1.00 0.00 C ATOM 416 CD LYS A 30 -3.861 -8.292 -4.106 1.00 0.00 C ATOM 417 CE LYS A 30 -5.316 -7.974 -4.407 1.00 0.00 C ATOM 418 NZ LYS A 30 -6.110 -7.770 -3.165 1.00 0.00 N ATOM 0 H LYS A 30 -2.724 -10.085 -0.442 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.508 -11.990 -2.671 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.833 -9.029 -2.442 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.727 -9.982 -3.909 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.174 -10.396 -3.819 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -4.282 -9.450 -2.348 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.409 -7.458 -3.569 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.311 -8.405 -5.040 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.371 -7.077 -5.024 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.752 -8.787 -4.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.021 -7.329 -3.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.279 -8.688 -2.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.585 -7.150 -2.515 1.00 0.00 H new ATOM 432 N GLY A 31 -0.071 -10.913 -0.801 1.00 0.00 N ATOM 433 CA GLY A 31 1.335 -11.099 -0.498 1.00 0.00 C ATOM 434 C GLY A 31 2.134 -9.819 -0.650 1.00 0.00 C ATOM 435 O GLY A 31 3.358 -9.855 -0.769 1.00 0.00 O ATOM 0 H GLY A 31 -0.596 -10.391 -0.099 1.00 0.00 H new ATOM 0 HA2 GLY A 31 1.438 -11.469 0.522 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.748 -11.862 -1.157 1.00 0.00 H new ATOM 439 N CYS A 32 1.439 -8.687 -0.645 1.00 0.00 N ATOM 440 CA CYS A 32 2.090 -7.389 -0.783 1.00 0.00 C ATOM 441 C CYS A 32 2.200 -6.686 0.565 1.00 0.00 C ATOM 442 O CYS A 32 1.755 -7.208 1.587 1.00 0.00 O ATOM 443 CB CYS A 32 1.317 -6.509 -1.767 1.00 0.00 C ATOM 444 SG CYS A 32 1.245 -7.169 -3.464 1.00 0.00 S ATOM 0 H CYS A 32 0.425 -8.642 -0.547 1.00 0.00 H new ATOM 0 HA CYS A 32 3.096 -7.557 -1.167 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.300 -6.377 -1.397 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.778 -5.521 -1.793 1.00 0.00 H new ATOM 449 N CYS A 33 2.787 -5.493 0.557 1.00 0.00 N ATOM 450 CA CYS A 33 2.938 -4.706 1.775 1.00 0.00 C ATOM 451 C CYS A 33 1.778 -3.728 1.935 1.00 0.00 C ATOM 452 O CYS A 33 1.146 -3.333 0.956 1.00 0.00 O ATOM 453 CB CYS A 33 4.262 -3.939 1.753 1.00 0.00 C ATOM 454 SG CYS A 33 5.739 -5.001 1.653 1.00 0.00 S ATOM 0 H CYS A 33 3.166 -5.050 -0.280 1.00 0.00 H new ATOM 0 HA CYS A 33 2.937 -5.391 2.623 1.00 0.00 H new ATOM 0 HB2 CYS A 33 4.260 -3.258 0.902 1.00 0.00 H new ATOM 0 HB3 CYS A 33 4.329 -3.326 2.652 1.00 0.00 H new ATOM 459 N PHE A 34 1.506 -3.338 3.176 1.00 0.00 N ATOM 460 CA PHE A 34 0.428 -2.398 3.462 1.00 0.00 C ATOM 461 C PHE A 34 0.890 -1.319 4.437 1.00 0.00 C ATOM 462 O PHE A 34 1.415 -1.619 5.508 1.00 0.00 O ATOM 463 CB PHE A 34 -0.781 -3.137 4.037 1.00 0.00 C ATOM 464 CG PHE A 34 -1.950 -2.239 4.327 1.00 0.00 C ATOM 465 CD1 PHE A 34 -2.874 -1.943 3.336 1.00 0.00 C ATOM 466 CD2 PHE A 34 -2.125 -1.691 5.587 1.00 0.00 C ATOM 467 CE1 PHE A 34 -3.951 -1.119 3.599 1.00 0.00 C ATOM 468 CE2 PHE A 34 -3.200 -0.865 5.855 1.00 0.00 C ATOM 469 CZ PHE A 34 -4.115 -0.578 4.860 1.00 0.00 C ATOM 0 H PHE A 34 2.017 -3.658 3.999 1.00 0.00 H new ATOM 0 HA PHE A 34 0.141 -1.918 2.527 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.092 -3.910 3.334 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -0.484 -3.642 4.956 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.750 -2.361 2.348 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -1.413 -1.912 6.369 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.665 -0.898 2.819 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -3.325 -0.444 6.842 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.956 0.067 5.067 1.00 0.00 H new ATOM 479 N ASP A 35 0.691 -0.061 4.056 1.00 0.00 N ATOM 480 CA ASP A 35 1.087 1.064 4.896 1.00 0.00 C ATOM 481 C ASP A 35 0.007 2.140 4.909 1.00 0.00 C ATOM 482 O ASP A 35 -0.013 3.024 4.053 1.00 0.00 O ATOM 483 CB ASP A 35 2.408 1.656 4.401 1.00 0.00 C ATOM 484 CG ASP A 35 2.866 2.831 5.243 1.00 0.00 C ATOM 485 OD1 ASP A 35 2.552 2.854 6.451 1.00 0.00 O ATOM 486 OD2 ASP A 35 3.539 3.728 4.692 1.00 0.00 O ATOM 0 H ASP A 35 0.258 0.205 3.172 1.00 0.00 H new ATOM 0 HA ASP A 35 1.220 0.697 5.914 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.176 0.883 4.412 1.00 0.00 H new ATOM 0 HB3 ASP A 35 2.294 1.977 3.366 1.00 0.00 H new ATOM 491 N ASP A 36 -0.892 2.058 5.885 1.00 0.00 N ATOM 492 CA ASP A 36 -1.980 3.021 6.006 1.00 0.00 C ATOM 493 C ASP A 36 -1.563 4.208 6.868 1.00 0.00 C ATOM 494 O ASP A 36 -2.356 4.729 7.651 1.00 0.00 O ATOM 495 CB ASP A 36 -3.218 2.354 6.606 1.00 0.00 C ATOM 496 CG ASP A 36 -2.963 1.810 7.998 1.00 0.00 C ATOM 497 OD1 ASP A 36 -3.172 2.561 8.975 1.00 0.00 O ATOM 498 OD2 ASP A 36 -2.557 0.635 8.113 1.00 0.00 O ATOM 0 H ASP A 36 -0.888 1.334 6.604 1.00 0.00 H new ATOM 0 HA ASP A 36 -2.220 3.385 5.007 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.034 3.076 6.645 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.542 1.542 5.955 1.00 0.00 H new ATOM 503 N THR A 37 -0.311 4.629 6.720 1.00 0.00 N ATOM 504 CA THR A 37 0.214 5.751 7.489 1.00 0.00 C ATOM 505 C THR A 37 0.430 6.972 6.602 1.00 0.00 C ATOM 506 O THR A 37 0.684 8.072 7.095 1.00 0.00 O ATOM 507 CB THR A 37 1.543 5.389 8.176 1.00 0.00 C ATOM 508 OG1 THR A 37 2.521 5.027 7.194 1.00 0.00 O ATOM 509 CG2 THR A 37 1.351 4.239 9.154 1.00 0.00 C ATOM 0 H THR A 37 0.359 4.210 6.075 1.00 0.00 H new ATOM 0 HA THR A 37 -0.528 5.986 8.252 1.00 0.00 H new ATOM 0 HB THR A 37 1.890 6.262 8.729 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.645 4.055 7.199 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.304 4.001 9.627 1.00 0.00 H new ATOM 0 HG22 THR A 37 0.629 4.527 9.918 1.00 0.00 H new ATOM 0 HG23 THR A 37 0.983 3.364 8.619 1.00 0.00 H new ATOM 517 N VAL A 38 0.327 6.773 5.293 1.00 0.00 N ATOM 518 CA VAL A 38 0.514 7.857 4.338 1.00 0.00 C ATOM 519 C VAL A 38 -0.759 8.111 3.537 1.00 0.00 C ATOM 520 O VAL A 38 -1.099 7.348 2.634 1.00 0.00 O ATOM 521 CB VAL A 38 1.667 7.555 3.362 1.00 0.00 C ATOM 522 CG1 VAL A 38 1.845 8.698 2.375 1.00 0.00 C ATOM 523 CG2 VAL A 38 2.956 7.292 4.123 1.00 0.00 C ATOM 0 H VAL A 38 0.115 5.870 4.869 1.00 0.00 H new ATOM 0 HA VAL A 38 0.761 8.747 4.917 1.00 0.00 H new ATOM 0 HB VAL A 38 1.416 6.656 2.799 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.664 8.466 1.694 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.926 8.833 1.805 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.073 9.615 2.918 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.759 7.081 3.417 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.215 8.170 4.715 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.820 6.436 4.784 1.00 0.00 H new ATOM 533 N ARG A 39 -1.458 9.190 3.874 1.00 0.00 N ATOM 534 CA ARG A 39 -2.688 9.550 3.178 1.00 0.00 C ATOM 535 C ARG A 39 -2.384 10.112 1.793 1.00 0.00 C ATOM 536 O ARG A 39 -1.296 10.635 1.550 1.00 0.00 O ATOM 537 CB ARG A 39 -3.481 10.574 3.994 1.00 0.00 C ATOM 538 CG ARG A 39 -3.898 10.068 5.365 1.00 0.00 C ATOM 539 CD ARG A 39 -2.692 9.700 6.215 1.00 0.00 C ATOM 540 NE ARG A 39 -3.082 9.215 7.536 1.00 0.00 N ATOM 541 CZ ARG A 39 -2.258 9.174 8.578 1.00 0.00 C ATOM 542 NH1 ARG A 39 -1.005 9.592 8.453 1.00 0.00 N ATOM 543 NH2 ARG A 39 -2.685 8.717 9.747 1.00 0.00 N ATOM 0 H ARG A 39 -1.194 9.829 4.624 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.287 8.647 3.061 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.878 11.474 4.116 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.372 10.860 3.435 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.483 10.834 5.874 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.544 9.197 5.251 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.109 8.933 5.705 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -2.046 10.571 6.325 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.040 8.890 7.666 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.672 9.946 7.556 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.374 9.560 9.254 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.648 8.396 9.848 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.051 8.687 10.545 1.00 0.00 H new ATOM 557 N GLY A 40 -3.351 9.998 0.888 1.00 0.00 N ATOM 558 CA GLY A 40 -3.163 10.494 -0.463 1.00 0.00 C ATOM 559 C GLY A 40 -2.692 9.413 -1.416 1.00 0.00 C ATOM 560 O GLY A 40 -3.255 9.240 -2.497 1.00 0.00 O ATOM 0 H GLY A 40 -4.260 9.572 1.066 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.101 10.912 -0.827 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.436 11.306 -0.451 1.00 0.00 H new ATOM 564 N VAL A 41 -1.658 8.682 -1.013 1.00 0.00 N ATOM 565 CA VAL A 41 -1.116 7.606 -1.833 1.00 0.00 C ATOM 566 C VAL A 41 -1.762 6.270 -1.482 1.00 0.00 C ATOM 567 O VAL A 41 -2.490 6.163 -0.496 1.00 0.00 O ATOM 568 CB VAL A 41 0.410 7.484 -1.662 1.00 0.00 C ATOM 569 CG1 VAL A 41 1.099 8.777 -2.070 1.00 0.00 C ATOM 570 CG2 VAL A 41 0.758 7.116 -0.228 1.00 0.00 C ATOM 0 H VAL A 41 -1.179 8.816 -0.123 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.340 7.855 -2.870 1.00 0.00 H new ATOM 0 HB VAL A 41 0.768 6.688 -2.315 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.176 8.671 -1.942 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.877 8.993 -3.115 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.738 9.594 -1.446 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.840 7.034 -0.126 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.387 7.888 0.446 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.296 6.162 0.025 1.00 0.00 H new ATOM 580 N PRO A 42 -1.498 5.232 -2.291 1.00 0.00 N ATOM 581 CA PRO A 42 -2.046 3.892 -2.061 1.00 0.00 C ATOM 582 C PRO A 42 -1.466 3.238 -0.813 1.00 0.00 C ATOM 583 O PRO A 42 -0.299 3.443 -0.478 1.00 0.00 O ATOM 584 CB PRO A 42 -1.632 3.117 -3.315 1.00 0.00 C ATOM 585 CG PRO A 42 -0.434 3.835 -3.829 1.00 0.00 C ATOM 586 CD PRO A 42 -0.641 5.285 -3.487 1.00 0.00 C ATOM 0 HA PRO A 42 -3.123 3.914 -1.896 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.400 2.079 -3.079 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -2.433 3.104 -4.054 1.00 0.00 H new ATOM 0 HG2 PRO A 42 0.477 3.452 -3.370 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -0.330 3.699 -4.905 1.00 0.00 H new ATOM 0 HD2 PRO A 42 0.304 5.789 -3.283 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -1.121 5.826 -4.302 1.00 0.00 H new ATOM 594 N TRP A 43 -2.287 2.453 -0.125 1.00 0.00 N ATOM 595 CA TRP A 43 -1.855 1.776 1.093 1.00 0.00 C ATOM 596 C TRP A 43 -1.265 0.406 0.774 1.00 0.00 C ATOM 597 O TRP A 43 -0.371 -0.073 1.472 1.00 0.00 O ATOM 598 CB TRP A 43 -3.026 1.629 2.066 1.00 0.00 C ATOM 599 CG TRP A 43 -3.596 2.941 2.511 1.00 0.00 C ATOM 600 CD1 TRP A 43 -2.964 4.151 2.513 1.00 0.00 C ATOM 601 CD2 TRP A 43 -4.913 3.176 3.025 1.00 0.00 C ATOM 602 NE1 TRP A 43 -3.807 5.124 2.994 1.00 0.00 N ATOM 603 CE2 TRP A 43 -5.009 4.550 3.314 1.00 0.00 C ATOM 604 CE3 TRP A 43 -6.021 2.357 3.266 1.00 0.00 C ATOM 605 CZ2 TRP A 43 -6.167 5.123 3.834 1.00 0.00 C ATOM 606 CZ3 TRP A 43 -7.170 2.927 3.781 1.00 0.00 C ATOM 607 CH2 TRP A 43 -7.236 4.298 4.060 1.00 0.00 C ATOM 0 H TRP A 43 -3.255 2.269 -0.389 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.081 2.384 1.561 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.812 1.042 1.591 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.694 1.070 2.941 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.949 4.319 2.184 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -3.576 6.112 3.096 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -5.979 1.299 3.054 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -6.220 6.180 4.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -8.032 2.305 3.972 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -8.149 4.713 4.462 1.00 0.00 H new ATOM 618 N CYS A 44 -1.767 -0.217 -0.287 1.00 0.00 N ATOM 619 CA CYS A 44 -1.274 -1.523 -0.709 1.00 0.00 C ATOM 620 C CYS A 44 -0.249 -1.376 -1.829 1.00 0.00 C ATOM 621 O CYS A 44 -0.504 -0.711 -2.833 1.00 0.00 O ATOM 622 CB CYS A 44 -2.436 -2.402 -1.176 1.00 0.00 C ATOM 623 SG CYS A 44 -1.950 -4.096 -1.639 1.00 0.00 S ATOM 0 H CYS A 44 -2.514 0.161 -0.870 1.00 0.00 H new ATOM 0 HA CYS A 44 -0.790 -1.998 0.144 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -3.180 -2.454 -0.381 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -2.916 -1.927 -2.032 1.00 0.00 H new ATOM 628 N PHE A 45 0.912 -1.995 -1.647 1.00 0.00 N ATOM 629 CA PHE A 45 1.981 -1.919 -2.637 1.00 0.00 C ATOM 630 C PHE A 45 2.773 -3.222 -2.684 1.00 0.00 C ATOM 631 O PHE A 45 2.774 -3.995 -1.726 1.00 0.00 O ATOM 632 CB PHE A 45 2.916 -0.751 -2.319 1.00 0.00 C ATOM 633 CG PHE A 45 3.569 -0.853 -0.971 1.00 0.00 C ATOM 634 CD1 PHE A 45 2.924 -0.384 0.162 1.00 0.00 C ATOM 635 CD2 PHE A 45 4.827 -1.418 -0.837 1.00 0.00 C ATOM 636 CE1 PHE A 45 3.522 -0.476 1.405 1.00 0.00 C ATOM 637 CE2 PHE A 45 5.430 -1.512 0.403 1.00 0.00 C ATOM 638 CZ PHE A 45 4.777 -1.041 1.526 1.00 0.00 C ATOM 0 H PHE A 45 1.137 -2.554 -0.824 1.00 0.00 H new ATOM 0 HA PHE A 45 1.527 -1.756 -3.614 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.690 -0.697 -3.085 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.351 0.180 -2.370 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.943 0.059 0.073 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.342 -1.789 -1.711 1.00 0.00 H new ATOM 0 HE1 PHE A 45 3.009 -0.107 2.281 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.411 -1.953 0.494 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.246 -1.114 2.496 1.00 0.00 H new ATOM 648 N TYR A 46 3.443 -3.461 -3.807 1.00 0.00 N ATOM 649 CA TYR A 46 4.230 -4.674 -3.983 1.00 0.00 C ATOM 650 C TYR A 46 5.473 -4.649 -3.099 1.00 0.00 C ATOM 651 O TYR A 46 6.162 -3.633 -3.009 1.00 0.00 O ATOM 652 CB TYR A 46 4.636 -4.836 -5.449 1.00 0.00 C ATOM 653 CG TYR A 46 3.461 -4.897 -6.398 1.00 0.00 C ATOM 654 CD1 TYR A 46 2.683 -6.043 -6.498 1.00 0.00 C ATOM 655 CD2 TYR A 46 3.129 -3.808 -7.194 1.00 0.00 C ATOM 656 CE1 TYR A 46 1.608 -6.103 -7.365 1.00 0.00 C ATOM 657 CE2 TYR A 46 2.056 -3.859 -8.063 1.00 0.00 C ATOM 658 CZ TYR A 46 1.299 -5.009 -8.145 1.00 0.00 C ATOM 659 OH TYR A 46 0.230 -5.064 -9.010 1.00 0.00 O ATOM 0 H TYR A 46 3.456 -2.830 -4.608 1.00 0.00 H new ATOM 0 HA TYR A 46 3.613 -5.523 -3.688 1.00 0.00 H new ATOM 0 HB2 TYR A 46 5.279 -4.003 -5.733 1.00 0.00 H new ATOM 0 HB3 TYR A 46 5.226 -5.746 -5.556 1.00 0.00 H new ATOM 0 HD1 TYR A 46 2.922 -6.902 -5.888 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.720 -2.906 -7.133 1.00 0.00 H new ATOM 0 HE1 TYR A 46 1.013 -7.002 -7.431 1.00 0.00 H new ATOM 0 HE2 TYR A 46 1.811 -3.003 -8.675 1.00 0.00 H new ATOM 0 HH TYR A 46 0.149 -4.210 -9.484 1.00 0.00 H new ATOM 669 N PRO A 47 5.767 -5.774 -2.431 1.00 0.00 N ATOM 670 CA PRO A 47 6.925 -5.885 -1.539 1.00 0.00 C ATOM 671 C PRO A 47 8.243 -5.930 -2.305 1.00 0.00 C ATOM 672 O PRO A 47 8.257 -6.005 -3.533 1.00 0.00 O ATOM 673 CB PRO A 47 6.683 -7.208 -0.812 1.00 0.00 C ATOM 674 CG PRO A 47 5.853 -8.011 -1.755 1.00 0.00 C ATOM 675 CD PRO A 47 4.990 -7.024 -2.494 1.00 0.00 C ATOM 0 HA PRO A 47 7.013 -5.026 -0.873 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.622 -7.712 -0.583 1.00 0.00 H new ATOM 0 HB3 PRO A 47 6.167 -7.051 0.135 1.00 0.00 H new ATOM 0 HG2 PRO A 47 6.481 -8.573 -2.446 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.243 -8.736 -1.217 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.814 -7.336 -3.523 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.013 -6.914 -2.023 1.00 0.00 H new ATOM 683 N ASN A 48 9.350 -5.881 -1.570 1.00 0.00 N ATOM 684 CA ASN A 48 10.673 -5.913 -2.181 1.00 0.00 C ATOM 685 C ASN A 48 11.476 -7.109 -1.678 1.00 0.00 C ATOM 686 O ASN A 48 12.224 -7.002 -0.706 1.00 0.00 O ATOM 687 CB ASN A 48 11.427 -4.617 -1.882 1.00 0.00 C ATOM 688 CG ASN A 48 10.707 -3.391 -2.411 1.00 0.00 C ATOM 689 OD1 ASN A 48 9.849 -2.805 -1.584 1.00 0.00 O flip ATOM 690 ND2 ASN A 48 10.921 -2.975 -3.550 1.00 0.00 N flip ATOM 0 H ASN A 48 9.356 -5.819 -0.552 1.00 0.00 H new ATOM 0 HA ASN A 48 10.545 -6.011 -3.259 1.00 0.00 H new ATOM 0 HB2 ASN A 48 11.561 -4.519 -0.805 1.00 0.00 H new ATOM 0 HB3 ASN A 48 12.422 -4.669 -2.324 1.00 0.00 H new ATOM 0 HD21 ASN A 48 11.589 -3.457 -4.152 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.430 -2.149 -3.892 1.00 0.00 H new ATOM 697 N THR A 49 11.319 -8.246 -2.348 1.00 0.00 N ATOM 698 CA THR A 49 12.036 -9.459 -1.972 1.00 0.00 C ATOM 699 C THR A 49 13.424 -9.492 -2.601 1.00 0.00 C ATOM 700 O THR A 49 13.571 -9.789 -3.788 1.00 0.00 O ATOM 701 CB THR A 49 11.264 -10.722 -2.394 1.00 0.00 C ATOM 702 OG1 THR A 49 9.974 -10.741 -1.769 1.00 0.00 O ATOM 703 CG2 THR A 49 12.033 -11.979 -2.014 1.00 0.00 C ATOM 0 H THR A 49 10.702 -8.353 -3.153 1.00 0.00 H new ATOM 0 HA THR A 49 12.131 -9.447 -0.886 1.00 0.00 H new ATOM 0 HB THR A 49 11.143 -10.701 -3.477 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.489 -11.547 -2.044 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.468 -12.859 -2.322 1.00 0.00 H new ATOM 0 HG22 THR A 49 13.002 -11.977 -2.513 1.00 0.00 H new ATOM 0 HG23 THR A 49 12.181 -12.003 -0.934 1.00 0.00 H new ATOM 711 N ILE A 50 14.440 -9.186 -1.802 1.00 0.00 N ATOM 712 CA ILE A 50 15.816 -9.178 -2.283 1.00 0.00 C ATOM 713 C ILE A 50 16.575 -10.407 -1.795 1.00 0.00 C ATOM 714 O ILE A 50 16.432 -10.821 -0.645 1.00 0.00 O ATOM 715 CB ILE A 50 16.565 -7.913 -1.825 1.00 0.00 C ATOM 716 CG1 ILE A 50 15.845 -6.659 -2.324 1.00 0.00 C ATOM 717 CG2 ILE A 50 18.003 -7.939 -2.323 1.00 0.00 C ATOM 718 CD1 ILE A 50 16.526 -5.370 -1.920 1.00 0.00 C ATOM 0 H ILE A 50 14.336 -8.940 -0.818 1.00 0.00 H new ATOM 0 HA ILE A 50 15.770 -9.189 -3.372 1.00 0.00 H new ATOM 0 HB ILE A 50 16.579 -7.891 -0.735 1.00 0.00 H new ATOM 0 HG12 ILE A 50 15.775 -6.698 -3.411 1.00 0.00 H new ATOM 0 HG13 ILE A 50 14.825 -6.658 -1.939 1.00 0.00 H new ATOM 0 HG21 ILE A 50 18.519 -7.038 -1.991 1.00 0.00 H new ATOM 0 HG22 ILE A 50 18.511 -8.817 -1.923 1.00 0.00 H new ATOM 0 HG23 ILE A 50 18.010 -7.981 -3.412 1.00 0.00 H new ATOM 0 HD11 ILE A 50 15.961 -4.523 -2.308 1.00 0.00 H new ATOM 0 HD12 ILE A 50 16.572 -5.308 -0.833 1.00 0.00 H new ATOM 0 HD13 ILE A 50 17.537 -5.349 -2.328 1.00 0.00 H new ATOM 730 N ASP A 51 17.381 -10.986 -2.679 1.00 0.00 N ATOM 731 CA ASP A 51 18.160 -12.170 -2.339 1.00 0.00 C ATOM 732 C ASP A 51 19.255 -12.416 -3.372 1.00 0.00 C ATOM 733 O ASP A 51 19.170 -11.944 -4.506 1.00 0.00 O ATOM 734 CB ASP A 51 17.249 -13.394 -2.241 1.00 0.00 C ATOM 735 CG ASP A 51 16.531 -13.686 -3.543 1.00 0.00 C ATOM 736 OD1 ASP A 51 16.265 -12.730 -4.303 1.00 0.00 O ATOM 737 OD2 ASP A 51 16.234 -14.870 -3.805 1.00 0.00 O ATOM 0 H ASP A 51 17.511 -10.655 -3.635 1.00 0.00 H new ATOM 0 HA ASP A 51 18.632 -11.999 -1.371 1.00 0.00 H new ATOM 0 HB2 ASP A 51 17.842 -14.262 -1.954 1.00 0.00 H new ATOM 0 HB3 ASP A 51 16.514 -13.234 -1.452 1.00 0.00 H new ATOM 742 N VAL A 52 20.280 -13.162 -2.974 1.00 0.00 N ATOM 743 CA VAL A 52 21.387 -13.479 -3.866 1.00 0.00 C ATOM 744 C VAL A 52 22.106 -14.748 -3.420 1.00 0.00 C ATOM 745 O VAL A 52 23.309 -14.899 -3.631 1.00 0.00 O ATOM 746 CB VAL A 52 22.404 -12.325 -3.934 1.00 0.00 C ATOM 747 CG1 VAL A 52 21.739 -11.056 -4.445 1.00 0.00 C ATOM 748 CG2 VAL A 52 23.038 -12.091 -2.570 1.00 0.00 C ATOM 0 H VAL A 52 20.366 -13.558 -2.038 1.00 0.00 H new ATOM 0 HA VAL A 52 20.959 -13.634 -4.856 1.00 0.00 H new ATOM 0 HB VAL A 52 23.193 -12.601 -4.634 1.00 0.00 H new ATOM 0 HG11 VAL A 52 22.473 -10.252 -4.486 1.00 0.00 H new ATOM 0 HG12 VAL A 52 21.337 -11.232 -5.443 1.00 0.00 H new ATOM 0 HG13 VAL A 52 20.929 -10.774 -3.773 1.00 0.00 H new ATOM 0 HG21 VAL A 52 23.754 -11.272 -2.637 1.00 0.00 H new ATOM 0 HG22 VAL A 52 22.263 -11.837 -1.847 1.00 0.00 H new ATOM 0 HG23 VAL A 52 23.552 -12.997 -2.247 1.00 0.00 H new ATOM 758 N PRO A 53 21.369 -15.678 -2.794 1.00 0.00 N ATOM 759 CA PRO A 53 21.932 -16.942 -2.309 1.00 0.00 C ATOM 760 C PRO A 53 22.271 -17.900 -3.445 1.00 0.00 C ATOM 761 O PRO A 53 21.422 -18.213 -4.280 1.00 0.00 O ATOM 762 CB PRO A 53 20.812 -17.517 -1.441 1.00 0.00 C ATOM 763 CG PRO A 53 19.562 -16.938 -2.007 1.00 0.00 C ATOM 764 CD PRO A 53 19.927 -15.566 -2.508 1.00 0.00 C ATOM 0 HA PRO A 53 22.871 -16.792 -1.775 1.00 0.00 H new ATOM 0 HB2 PRO A 53 20.798 -18.606 -1.482 1.00 0.00 H new ATOM 0 HB3 PRO A 53 20.939 -17.239 -0.395 1.00 0.00 H new ATOM 0 HG2 PRO A 53 19.177 -17.559 -2.816 1.00 0.00 H new ATOM 0 HG3 PRO A 53 18.781 -16.881 -1.249 1.00 0.00 H new ATOM 0 HD2 PRO A 53 19.360 -15.300 -3.400 1.00 0.00 H new ATOM 0 HD3 PRO A 53 19.724 -14.799 -1.761 1.00 0.00 H new ATOM 772 N PRO A 54 23.522 -18.380 -3.486 1.00 0.00 N ATOM 773 CA PRO A 54 23.981 -19.312 -4.520 1.00 0.00 C ATOM 774 C PRO A 54 23.359 -20.697 -4.368 1.00 0.00 C ATOM 775 O PRO A 54 23.282 -21.235 -3.263 1.00 0.00 O ATOM 776 CB PRO A 54 25.492 -19.378 -4.293 1.00 0.00 C ATOM 777 CG PRO A 54 25.676 -19.034 -2.856 1.00 0.00 C ATOM 778 CD PRO A 54 24.589 -18.049 -2.523 1.00 0.00 C ATOM 0 HA PRO A 54 23.701 -18.982 -5.520 1.00 0.00 H new ATOM 0 HB2 PRO A 54 25.882 -20.371 -4.515 1.00 0.00 H new ATOM 0 HB3 PRO A 54 26.020 -18.676 -4.939 1.00 0.00 H new ATOM 0 HG2 PRO A 54 25.602 -19.923 -2.229 1.00 0.00 H new ATOM 0 HG3 PRO A 54 26.661 -18.602 -2.681 1.00 0.00 H new ATOM 0 HD2 PRO A 54 24.249 -18.158 -1.493 1.00 0.00 H new ATOM 0 HD3 PRO A 54 24.930 -17.020 -2.639 1.00 0.00 H new ATOM 786 N GLU A 55 22.916 -21.267 -5.483 1.00 0.00 N ATOM 787 CA GLU A 55 22.299 -22.588 -5.473 1.00 0.00 C ATOM 788 C GLU A 55 23.334 -23.674 -5.748 1.00 0.00 C ATOM 789 O GLU A 55 24.530 -23.474 -5.537 1.00 0.00 O ATOM 790 CB GLU A 55 21.180 -22.659 -6.514 1.00 0.00 C ATOM 791 CG GLU A 55 20.068 -21.649 -6.281 1.00 0.00 C ATOM 792 CD GLU A 55 18.972 -21.738 -7.325 1.00 0.00 C ATOM 793 OE1 GLU A 55 18.744 -22.847 -7.852 1.00 0.00 O ATOM 794 OE2 GLU A 55 18.342 -20.699 -7.614 1.00 0.00 O ATOM 0 H GLU A 55 22.973 -20.835 -6.405 1.00 0.00 H new ATOM 0 HA GLU A 55 21.876 -22.756 -4.483 1.00 0.00 H new ATOM 0 HB2 GLU A 55 21.605 -22.497 -7.504 1.00 0.00 H new ATOM 0 HB3 GLU A 55 20.755 -23.663 -6.510 1.00 0.00 H new ATOM 0 HG2 GLU A 55 19.637 -21.810 -5.293 1.00 0.00 H new ATOM 0 HG3 GLU A 55 20.489 -20.643 -6.286 1.00 0.00 H new ATOM 801 N GLU A 56 22.866 -24.825 -6.219 1.00 0.00 N ATOM 802 CA GLU A 56 23.751 -25.943 -6.522 1.00 0.00 C ATOM 803 C GLU A 56 23.033 -26.992 -7.367 1.00 0.00 C ATOM 804 O GLU A 56 23.668 -27.810 -8.032 1.00 0.00 O ATOM 805 CB GLU A 56 24.265 -26.578 -5.230 1.00 0.00 C ATOM 806 CG GLU A 56 23.161 -27.115 -4.334 1.00 0.00 C ATOM 807 CD GLU A 56 23.697 -27.741 -3.061 1.00 0.00 C ATOM 808 OE1 GLU A 56 24.763 -27.298 -2.584 1.00 0.00 O ATOM 809 OE2 GLU A 56 23.050 -28.673 -2.538 1.00 0.00 O ATOM 0 H GLU A 56 21.879 -25.008 -6.399 1.00 0.00 H new ATOM 0 HA GLU A 56 24.597 -25.560 -7.092 1.00 0.00 H new ATOM 0 HB2 GLU A 56 24.946 -27.392 -5.481 1.00 0.00 H new ATOM 0 HB3 GLU A 56 24.843 -25.838 -4.676 1.00 0.00 H new ATOM 0 HG2 GLU A 56 22.480 -26.304 -4.077 1.00 0.00 H new ATOM 0 HG3 GLU A 56 22.581 -27.857 -4.883 1.00 0.00 H new ATOM 816 N GLU A 57 21.705 -26.960 -7.336 1.00 0.00 N ATOM 817 CA GLU A 57 20.900 -27.907 -8.100 1.00 0.00 C ATOM 818 C GLU A 57 19.546 -27.303 -8.461 1.00 0.00 C ATOM 819 O GLU A 57 18.599 -27.366 -7.678 1.00 0.00 O ATOM 820 CB GLU A 57 20.698 -29.197 -7.302 1.00 0.00 C ATOM 821 CG GLU A 57 19.994 -28.986 -5.972 1.00 0.00 C ATOM 822 CD GLU A 57 19.807 -30.278 -5.200 1.00 0.00 C ATOM 823 OE1 GLU A 57 19.678 -31.340 -5.844 1.00 0.00 O ATOM 824 OE2 GLU A 57 19.791 -30.227 -3.953 1.00 0.00 O ATOM 0 H GLU A 57 21.163 -26.289 -6.791 1.00 0.00 H new ATOM 0 HA GLU A 57 21.433 -28.137 -9.022 1.00 0.00 H new ATOM 0 HB2 GLU A 57 20.119 -29.899 -7.902 1.00 0.00 H new ATOM 0 HB3 GLU A 57 21.669 -29.658 -7.120 1.00 0.00 H new ATOM 0 HG2 GLU A 57 20.570 -28.286 -5.367 1.00 0.00 H new ATOM 0 HG3 GLU A 57 19.021 -28.529 -6.149 1.00 0.00 H new ATOM 831 N CYS A 58 19.465 -26.719 -9.652 1.00 0.00 N ATOM 832 CA CYS A 58 18.228 -26.103 -10.117 1.00 0.00 C ATOM 833 C CYS A 58 17.996 -26.397 -11.596 1.00 0.00 C ATOM 834 O CYS A 58 16.890 -26.221 -12.108 1.00 0.00 O ATOM 835 CB CYS A 58 18.268 -24.591 -9.885 1.00 0.00 C ATOM 836 SG CYS A 58 16.767 -23.714 -10.430 1.00 0.00 S ATOM 0 H CYS A 58 20.240 -26.659 -10.312 1.00 0.00 H new ATOM 0 HA CYS A 58 17.402 -26.529 -9.547 1.00 0.00 H new ATOM 0 HB2 CYS A 58 18.421 -24.401 -8.823 1.00 0.00 H new ATOM 0 HB3 CYS A 58 19.129 -24.176 -10.410 1.00 0.00 H new ATOM 841 N GLU A 59 19.046 -26.843 -12.277 1.00 0.00 N ATOM 842 CA GLU A 59 18.956 -27.160 -13.698 1.00 0.00 C ATOM 843 C GLU A 59 19.844 -28.350 -14.048 1.00 0.00 C ATOM 844 O GLU A 59 20.147 -28.588 -15.216 1.00 0.00 O ATOM 845 CB GLU A 59 19.358 -25.946 -14.539 1.00 0.00 C ATOM 846 CG GLU A 59 20.778 -25.469 -14.280 1.00 0.00 C ATOM 847 CD GLU A 59 21.814 -26.535 -14.576 1.00 0.00 C ATOM 848 OE1 GLU A 59 22.289 -26.597 -15.729 1.00 0.00 O ATOM 849 OE2 GLU A 59 22.151 -27.309 -13.655 1.00 0.00 O ATOM 0 H GLU A 59 19.969 -26.993 -11.869 1.00 0.00 H new ATOM 0 HA GLU A 59 17.922 -27.423 -13.921 1.00 0.00 H new ATOM 0 HB2 GLU A 59 19.255 -26.196 -15.595 1.00 0.00 H new ATOM 0 HB3 GLU A 59 18.666 -25.129 -14.336 1.00 0.00 H new ATOM 0 HG2 GLU A 59 20.980 -24.591 -14.894 1.00 0.00 H new ATOM 0 HG3 GLU A 59 20.869 -25.158 -13.239 1.00 0.00 H new ATOM 856 N PHE A 60 20.255 -29.095 -13.027 1.00 0.00 N ATOM 857 CA PHE A 60 21.106 -30.263 -13.228 1.00 0.00 C ATOM 858 C PHE A 60 21.106 -31.153 -11.990 1.00 0.00 C ATOM 859 O PHE A 60 20.247 -32.057 -11.913 1.00 0.00 O ATOM 860 CB PHE A 60 22.535 -29.828 -13.557 1.00 0.00 C ATOM 861 CG PHE A 60 23.476 -30.977 -13.780 1.00 0.00 C ATOM 862 CD1 PHE A 60 24.180 -31.527 -12.722 1.00 0.00 C ATOM 863 CD2 PHE A 60 23.655 -31.507 -15.048 1.00 0.00 C ATOM 864 CE1 PHE A 60 25.047 -32.584 -12.923 1.00 0.00 C ATOM 865 CE2 PHE A 60 24.520 -32.565 -15.256 1.00 0.00 C ATOM 866 CZ PHE A 60 25.216 -33.104 -14.192 1.00 0.00 C ATOM 867 OXT PHE A 60 21.964 -30.941 -11.108 1.00 0.00 O ATOM 0 H PHE A 60 20.013 -28.911 -12.053 1.00 0.00 H new ATOM 0 HA PHE A 60 20.706 -30.834 -14.066 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.519 -29.203 -14.450 1.00 0.00 H new ATOM 0 HB3 PHE A 60 22.915 -29.211 -12.743 1.00 0.00 H new ATOM 0 HD1 PHE A 60 24.050 -31.125 -11.728 1.00 0.00 H new ATOM 0 HD2 PHE A 60 23.113 -31.089 -15.883 1.00 0.00 H new ATOM 0 HE1 PHE A 60 25.592 -33.003 -12.090 1.00 0.00 H new ATOM 0 HE2 PHE A 60 24.651 -32.969 -16.249 1.00 0.00 H new ATOM 0 HZ PHE A 60 25.892 -33.931 -14.352 1.00 0.00 H new TER 877 PHE A 60 ATOM 878 N GLU B 1 -0.910 -27.958 -15.020 1.00 0.00 N ATOM 879 CA GLU B 1 0.573 -28.033 -15.016 1.00 0.00 C ATOM 880 C GLU B 1 1.188 -26.654 -14.804 1.00 0.00 C ATOM 881 O GLU B 1 0.486 -25.643 -14.808 1.00 0.00 O ATOM 882 CB GLU B 1 1.074 -28.626 -16.334 1.00 0.00 C ATOM 883 CG GLU B 1 0.562 -30.032 -16.602 1.00 0.00 C ATOM 884 CD GLU B 1 0.976 -31.019 -15.530 1.00 0.00 C ATOM 885 OE1 GLU B 1 0.222 -31.179 -14.546 1.00 0.00 O ATOM 886 OE2 GLU B 1 2.055 -31.632 -15.672 1.00 0.00 O ATOM 0 H1 GLU B 1 -1.297 -28.696 -14.397 1.00 0.00 H new ATOM 0 H2 GLU B 1 -1.211 -27.023 -14.678 1.00 0.00 H new ATOM 0 H3 GLU B 1 -1.262 -28.102 -15.988 1.00 0.00 H new ATOM 0 HA GLU B 1 0.877 -28.678 -14.192 1.00 0.00 H new ATOM 0 HB2 GLU B 1 0.771 -27.975 -17.154 1.00 0.00 H new ATOM 0 HB3 GLU B 1 2.164 -28.641 -16.325 1.00 0.00 H new ATOM 0 HG2 GLU B 1 -0.526 -30.011 -16.671 1.00 0.00 H new ATOM 0 HG3 GLU B 1 0.936 -30.373 -17.568 1.00 0.00 H new ATOM 895 N ALA B 2 2.504 -26.619 -14.619 1.00 0.00 N ATOM 896 CA ALA B 2 3.214 -25.364 -14.404 1.00 0.00 C ATOM 897 C ALA B 2 3.815 -24.844 -15.705 1.00 0.00 C ATOM 898 O ALA B 2 4.912 -24.286 -15.712 1.00 0.00 O ATOM 899 CB ALA B 2 4.299 -25.547 -13.353 1.00 0.00 C ATOM 0 H ALA B 2 3.100 -27.447 -14.614 1.00 0.00 H new ATOM 0 HA ALA B 2 2.498 -24.625 -14.046 1.00 0.00 H new ATOM 0 HB1 ALA B 2 4.822 -24.603 -13.202 1.00 0.00 H new ATOM 0 HB2 ALA B 2 3.846 -25.866 -12.414 1.00 0.00 H new ATOM 0 HB3 ALA B 2 5.007 -26.304 -13.689 1.00 0.00 H new ATOM 905 N GLN B 3 3.089 -25.028 -16.802 1.00 0.00 N ATOM 906 CA GLN B 3 3.548 -24.570 -18.107 1.00 0.00 C ATOM 907 C GLN B 3 3.075 -23.146 -18.382 1.00 0.00 C ATOM 908 O GLN B 3 2.348 -22.557 -17.581 1.00 0.00 O ATOM 909 CB GLN B 3 3.047 -25.505 -19.210 1.00 0.00 C ATOM 910 CG GLN B 3 3.605 -26.918 -19.121 1.00 0.00 C ATOM 911 CD GLN B 3 3.190 -27.639 -17.853 1.00 0.00 C ATOM 912 OE1 GLN B 3 2.978 -27.019 -16.810 1.00 0.00 O ATOM 913 NE2 GLN B 3 3.073 -28.959 -17.936 1.00 0.00 N ATOM 0 H GLN B 3 2.180 -25.491 -16.813 1.00 0.00 H new ATOM 0 HA GLN B 3 4.638 -24.579 -18.101 1.00 0.00 H new ATOM 0 HB2 GLN B 3 1.959 -25.551 -19.167 1.00 0.00 H new ATOM 0 HB3 GLN B 3 3.310 -25.081 -20.179 1.00 0.00 H new ATOM 0 HG2 GLN B 3 3.269 -27.491 -19.985 1.00 0.00 H new ATOM 0 HG3 GLN B 3 4.693 -26.877 -19.170 1.00 0.00 H new ATOM 0 HE21 GLN B 3 3.258 -29.433 -18.820 1.00 0.00 H new ATOM 0 HE22 GLN B 3 2.798 -29.499 -17.116 1.00 0.00 H new ATOM 922 N THR B 4 3.492 -22.599 -19.519 1.00 0.00 N ATOM 923 CA THR B 4 3.109 -21.246 -19.902 1.00 0.00 C ATOM 924 C THR B 4 2.859 -21.151 -21.403 1.00 0.00 C ATOM 925 O THR B 4 3.638 -21.665 -22.205 1.00 0.00 O ATOM 926 CB THR B 4 4.190 -20.222 -19.508 1.00 0.00 C ATOM 927 OG1 THR B 4 5.427 -20.540 -20.159 1.00 0.00 O ATOM 928 CG2 THR B 4 4.395 -20.205 -18.001 1.00 0.00 C ATOM 0 H THR B 4 4.096 -23.073 -20.191 1.00 0.00 H new ATOM 0 HA THR B 4 2.188 -21.015 -19.366 1.00 0.00 H new ATOM 0 HB THR B 4 3.856 -19.234 -19.825 1.00 0.00 H new ATOM 0 HG1 THR B 4 5.601 -21.501 -20.079 1.00 0.00 H new ATOM 0 HG21 THR B 4 5.163 -19.474 -17.746 1.00 0.00 H new ATOM 0 HG22 THR B 4 3.460 -19.935 -17.510 1.00 0.00 H new ATOM 0 HG23 THR B 4 4.709 -21.193 -17.665 1.00 0.00 H new ATOM 936 N GLU B 5 1.765 -20.496 -21.776 1.00 0.00 N ATOM 937 CA GLU B 5 1.405 -20.348 -23.181 1.00 0.00 C ATOM 938 C GLU B 5 1.849 -18.991 -23.719 1.00 0.00 C ATOM 939 O GLU B 5 1.652 -17.962 -23.072 1.00 0.00 O ATOM 940 CB GLU B 5 -0.105 -20.512 -23.363 1.00 0.00 C ATOM 941 CG GLU B 5 -0.627 -21.867 -22.914 1.00 0.00 C ATOM 942 CD GLU B 5 -2.125 -22.006 -23.102 1.00 0.00 C ATOM 943 OE1 GLU B 5 -2.831 -20.979 -23.024 1.00 0.00 O ATOM 944 OE2 GLU B 5 -2.592 -23.142 -23.328 1.00 0.00 O ATOM 0 H GLU B 5 1.112 -20.059 -21.125 1.00 0.00 H new ATOM 0 HA GLU B 5 1.919 -21.127 -23.744 1.00 0.00 H new ATOM 0 HB2 GLU B 5 -0.617 -19.730 -22.802 1.00 0.00 H new ATOM 0 HB3 GLU B 5 -0.354 -20.366 -24.414 1.00 0.00 H new ATOM 0 HG2 GLU B 5 -0.120 -22.652 -23.475 1.00 0.00 H new ATOM 0 HG3 GLU B 5 -0.381 -22.017 -21.863 1.00 0.00 H new ATOM 951 N THR B 6 2.448 -18.997 -24.905 1.00 0.00 N ATOM 952 CA THR B 6 2.916 -17.768 -25.532 1.00 0.00 C ATOM 953 C THR B 6 2.870 -17.875 -27.052 1.00 0.00 C ATOM 954 O THR B 6 2.634 -18.952 -27.601 1.00 0.00 O ATOM 955 CB THR B 6 4.353 -17.426 -25.097 1.00 0.00 C ATOM 956 OG1 THR B 6 4.408 -17.253 -23.676 1.00 0.00 O ATOM 957 CG2 THR B 6 4.840 -16.159 -25.786 1.00 0.00 C ATOM 0 H THR B 6 2.621 -19.841 -25.451 1.00 0.00 H new ATOM 0 HA THR B 6 2.247 -16.972 -25.205 1.00 0.00 H new ATOM 0 HB THR B 6 5.002 -18.252 -25.387 1.00 0.00 H new ATOM 0 HG1 THR B 6 5.326 -17.037 -23.408 1.00 0.00 H new ATOM 0 HG21 THR B 6 5.857 -15.937 -25.463 1.00 0.00 H new ATOM 0 HG22 THR B 6 4.825 -16.304 -26.866 1.00 0.00 H new ATOM 0 HG23 THR B 6 4.186 -15.327 -25.523 1.00 0.00 H new ATOM 965 N CYS B 7 3.097 -16.753 -27.727 1.00 0.00 N ATOM 966 CA CYS B 7 3.084 -16.724 -29.186 1.00 0.00 C ATOM 967 C CYS B 7 4.503 -16.685 -29.743 1.00 0.00 C ATOM 968 O CYS B 7 4.728 -16.218 -30.860 1.00 0.00 O ATOM 969 CB CYS B 7 2.291 -15.515 -29.686 1.00 0.00 C ATOM 970 SG CYS B 7 0.541 -15.513 -29.183 1.00 0.00 S ATOM 0 H CYS B 7 3.292 -15.853 -27.288 1.00 0.00 H new ATOM 0 HA CYS B 7 2.602 -17.636 -29.538 1.00 0.00 H new ATOM 0 HB2 CYS B 7 2.765 -14.605 -29.317 1.00 0.00 H new ATOM 0 HB3 CYS B 7 2.345 -15.484 -30.774 1.00 0.00 H new ATOM 975 N THR B 8 5.454 -17.186 -28.962 1.00 0.00 N ATOM 976 CA THR B 8 6.848 -17.225 -29.387 1.00 0.00 C ATOM 977 C THR B 8 7.211 -18.597 -29.944 1.00 0.00 C ATOM 978 O THR B 8 8.150 -19.241 -29.476 1.00 0.00 O ATOM 979 CB THR B 8 7.799 -16.888 -28.224 1.00 0.00 C ATOM 980 OG1 THR B 8 9.159 -16.937 -28.673 1.00 0.00 O ATOM 981 CG2 THR B 8 7.607 -17.859 -27.069 1.00 0.00 C ATOM 0 H THR B 8 5.285 -17.570 -28.032 1.00 0.00 H new ATOM 0 HA THR B 8 6.963 -16.474 -30.169 1.00 0.00 H new ATOM 0 HB THR B 8 7.567 -15.882 -27.875 1.00 0.00 H new ATOM 0 HG1 THR B 8 9.371 -17.845 -28.975 1.00 0.00 H new ATOM 0 HG21 THR B 8 8.290 -17.601 -26.259 1.00 0.00 H new ATOM 0 HG22 THR B 8 6.579 -17.799 -26.710 1.00 0.00 H new ATOM 0 HG23 THR B 8 7.814 -18.874 -27.409 1.00 0.00 H new ATOM 989 N VAL B 9 6.457 -19.042 -30.945 1.00 0.00 N ATOM 990 CA VAL B 9 6.687 -20.345 -31.556 1.00 0.00 C ATOM 991 C VAL B 9 7.484 -20.216 -32.849 1.00 0.00 C ATOM 992 O VAL B 9 7.625 -19.122 -33.397 1.00 0.00 O ATOM 993 CB VAL B 9 5.360 -21.067 -31.856 1.00 0.00 C ATOM 994 CG1 VAL B 9 5.621 -22.426 -32.487 1.00 0.00 C ATOM 995 CG2 VAL B 9 4.530 -21.209 -30.589 1.00 0.00 C ATOM 0 H VAL B 9 5.681 -18.518 -31.350 1.00 0.00 H new ATOM 0 HA VAL B 9 7.259 -20.932 -30.838 1.00 0.00 H new ATOM 0 HB VAL B 9 4.794 -20.466 -32.567 1.00 0.00 H new ATOM 0 HG11 VAL B 9 4.671 -22.921 -32.692 1.00 0.00 H new ATOM 0 HG12 VAL B 9 6.170 -22.295 -33.419 1.00 0.00 H new ATOM 0 HG13 VAL B 9 6.209 -23.038 -31.803 1.00 0.00 H new ATOM 0 HG21 VAL B 9 3.596 -21.721 -30.821 1.00 0.00 H new ATOM 0 HG22 VAL B 9 5.087 -21.787 -29.852 1.00 0.00 H new ATOM 0 HG23 VAL B 9 4.311 -20.221 -30.185 1.00 0.00 H new ATOM 1005 N ALA B 10 8.001 -21.340 -33.334 1.00 0.00 N ATOM 1006 CA ALA B 10 8.775 -21.355 -34.569 1.00 0.00 C ATOM 1007 C ALA B 10 7.896 -21.715 -35.762 1.00 0.00 C ATOM 1008 O ALA B 10 7.129 -22.677 -35.712 1.00 0.00 O ATOM 1009 CB ALA B 10 9.935 -22.331 -34.453 1.00 0.00 C ATOM 0 H ALA B 10 7.898 -22.253 -32.890 1.00 0.00 H new ATOM 0 HA ALA B 10 9.173 -20.353 -34.732 1.00 0.00 H new ATOM 0 HB1 ALA B 10 10.504 -22.332 -35.383 1.00 0.00 H new ATOM 0 HB2 ALA B 10 10.584 -22.029 -33.631 1.00 0.00 H new ATOM 0 HB3 ALA B 10 9.550 -23.333 -34.263 1.00 0.00 H new ATOM 1015 N PRO B 11 7.997 -20.938 -36.851 1.00 0.00 N ATOM 1016 CA PRO B 11 7.200 -21.158 -38.058 1.00 0.00 C ATOM 1017 C PRO B 11 7.131 -22.629 -38.451 1.00 0.00 C ATOM 1018 O PRO B 11 6.148 -23.078 -39.042 1.00 0.00 O ATOM 1019 CB PRO B 11 7.954 -20.354 -39.115 1.00 0.00 C ATOM 1020 CG PRO B 11 8.580 -19.235 -38.355 1.00 0.00 C ATOM 1021 CD PRO B 11 8.896 -19.777 -36.985 1.00 0.00 C ATOM 0 HA PRO B 11 6.161 -20.856 -37.927 1.00 0.00 H new ATOM 0 HB2 PRO B 11 8.706 -20.964 -39.616 1.00 0.00 H new ATOM 0 HB3 PRO B 11 7.280 -19.982 -39.887 1.00 0.00 H new ATOM 0 HG2 PRO B 11 9.485 -18.885 -38.853 1.00 0.00 H new ATOM 0 HG3 PRO B 11 7.903 -18.383 -38.289 1.00 0.00 H new ATOM 0 HD2 PRO B 11 9.943 -20.070 -36.902 1.00 0.00 H new ATOM 0 HD3 PRO B 11 8.710 -19.035 -36.208 1.00 0.00 H new ATOM 1029 N ARG B 12 8.176 -23.378 -38.115 1.00 0.00 N ATOM 1030 CA ARG B 12 8.226 -24.802 -38.423 1.00 0.00 C ATOM 1031 C ARG B 12 7.559 -25.620 -37.321 1.00 0.00 C ATOM 1032 O ARG B 12 7.011 -26.693 -37.575 1.00 0.00 O ATOM 1033 CB ARG B 12 9.676 -25.257 -38.606 1.00 0.00 C ATOM 1034 CG ARG B 12 10.399 -24.542 -39.736 1.00 0.00 C ATOM 1035 CD ARG B 12 11.828 -25.038 -39.885 1.00 0.00 C ATOM 1036 NE ARG B 12 12.610 -24.824 -38.671 1.00 0.00 N ATOM 1037 CZ ARG B 12 13.888 -25.169 -38.550 1.00 0.00 C ATOM 1038 NH1 ARG B 12 14.521 -25.742 -39.564 1.00 0.00 N ATOM 1039 NH2 ARG B 12 14.533 -24.942 -37.414 1.00 0.00 N ATOM 0 H ARG B 12 8.999 -23.022 -37.629 1.00 0.00 H new ATOM 0 HA ARG B 12 7.682 -24.966 -39.353 1.00 0.00 H new ATOM 0 HB2 ARG B 12 10.220 -25.092 -37.676 1.00 0.00 H new ATOM 0 HB3 ARG B 12 9.690 -26.330 -38.798 1.00 0.00 H new ATOM 0 HG2 ARG B 12 9.860 -24.697 -40.670 1.00 0.00 H new ATOM 0 HG3 ARG B 12 10.403 -23.469 -39.545 1.00 0.00 H new ATOM 0 HD2 ARG B 12 11.820 -26.100 -40.128 1.00 0.00 H new ATOM 0 HD3 ARG B 12 12.305 -24.524 -40.719 1.00 0.00 H new ATOM 0 HE ARG B 12 12.151 -24.386 -37.872 1.00 0.00 H new ATOM 0 HH11 ARG B 12 14.027 -25.919 -40.439 1.00 0.00 H new ATOM 0 HH12 ARG B 12 15.502 -26.006 -39.469 1.00 0.00 H new ATOM 0 HH21 ARG B 12 14.049 -24.502 -36.632 1.00 0.00 H new ATOM 0 HH22 ARG B 12 15.514 -25.207 -37.323 1.00 0.00 H new ATOM 1053 N GLU B 13 7.612 -25.107 -36.096 1.00 0.00 N ATOM 1054 CA GLU B 13 7.023 -25.793 -34.953 1.00 0.00 C ATOM 1055 C GLU B 13 5.610 -25.286 -34.680 1.00 0.00 C ATOM 1056 O GLU B 13 4.868 -25.878 -33.895 1.00 0.00 O ATOM 1057 CB GLU B 13 7.894 -25.601 -33.710 1.00 0.00 C ATOM 1058 CG GLU B 13 9.309 -26.135 -33.870 1.00 0.00 C ATOM 1059 CD GLU B 13 10.153 -25.929 -32.628 1.00 0.00 C ATOM 1060 OE1 GLU B 13 9.582 -25.921 -31.517 1.00 0.00 O ATOM 1061 OE2 GLU B 13 11.385 -25.776 -32.767 1.00 0.00 O ATOM 0 H GLU B 13 8.057 -24.218 -35.870 1.00 0.00 H new ATOM 0 HA GLU B 13 6.969 -26.856 -35.190 1.00 0.00 H new ATOM 0 HB2 GLU B 13 7.940 -24.539 -33.470 1.00 0.00 H new ATOM 0 HB3 GLU B 13 7.420 -26.099 -32.864 1.00 0.00 H new ATOM 0 HG2 GLU B 13 9.268 -27.199 -34.105 1.00 0.00 H new ATOM 0 HG3 GLU B 13 9.787 -25.640 -34.716 1.00 0.00 H new ATOM 1068 N ARG B 14 5.243 -24.186 -35.330 1.00 0.00 N ATOM 1069 CA ARG B 14 3.919 -23.600 -35.155 1.00 0.00 C ATOM 1070 C ARG B 14 2.830 -24.570 -35.599 1.00 0.00 C ATOM 1071 O ARG B 14 2.862 -25.086 -36.717 1.00 0.00 O ATOM 1072 CB ARG B 14 3.807 -22.294 -35.943 1.00 0.00 C ATOM 1073 CG ARG B 14 4.799 -21.229 -35.503 1.00 0.00 C ATOM 1074 CD ARG B 14 4.657 -19.961 -36.327 1.00 0.00 C ATOM 1075 NE ARG B 14 5.613 -18.935 -35.919 1.00 0.00 N ATOM 1076 CZ ARG B 14 5.729 -17.756 -36.524 1.00 0.00 C ATOM 1077 NH1 ARG B 14 4.952 -17.457 -37.555 1.00 0.00 N ATOM 1078 NH2 ARG B 14 6.624 -16.875 -36.095 1.00 0.00 N ATOM 0 H ARG B 14 5.844 -23.683 -35.983 1.00 0.00 H new ATOM 0 HA ARG B 14 3.781 -23.389 -34.094 1.00 0.00 H new ATOM 0 HB2 ARG B 14 3.959 -22.504 -37.002 1.00 0.00 H new ATOM 0 HB3 ARG B 14 2.795 -21.902 -35.838 1.00 0.00 H new ATOM 0 HG2 ARG B 14 4.643 -20.999 -34.449 1.00 0.00 H new ATOM 0 HG3 ARG B 14 5.814 -21.614 -35.598 1.00 0.00 H new ATOM 0 HD2 ARG B 14 4.804 -20.195 -37.381 1.00 0.00 H new ATOM 0 HD3 ARG B 14 3.643 -19.574 -36.225 1.00 0.00 H new ATOM 0 HE ARG B 14 6.225 -19.133 -35.127 1.00 0.00 H new ATOM 0 HH11 ARG B 14 4.263 -18.132 -37.887 1.00 0.00 H new ATOM 0 HH12 ARG B 14 5.043 -16.552 -38.017 1.00 0.00 H new ATOM 0 HH21 ARG B 14 7.223 -17.102 -35.301 1.00 0.00 H new ATOM 0 HH22 ARG B 14 6.713 -15.971 -36.559 1.00 0.00 H new ATOM 1092 N GLN B 15 1.866 -24.815 -34.717 1.00 0.00 N ATOM 1093 CA GLN B 15 0.765 -25.720 -35.020 1.00 0.00 C ATOM 1094 C GLN B 15 -0.427 -24.956 -35.588 1.00 0.00 C ATOM 1095 O GLN B 15 -1.201 -24.352 -34.845 1.00 0.00 O ATOM 1096 CB GLN B 15 0.343 -26.484 -33.765 1.00 0.00 C ATOM 1097 CG GLN B 15 -0.800 -27.458 -34.000 1.00 0.00 C ATOM 1098 CD GLN B 15 -0.463 -28.515 -35.034 1.00 0.00 C ATOM 1099 OE1 GLN B 15 0.816 -28.862 -35.130 1.00 0.00 O flip ATOM 1100 NE2 GLN B 15 -1.340 -29.012 -35.739 1.00 0.00 N flip ATOM 0 H GLN B 15 1.826 -24.399 -33.787 1.00 0.00 H new ATOM 0 HA GLN B 15 1.110 -26.431 -35.771 1.00 0.00 H new ATOM 0 HB2 GLN B 15 1.202 -27.032 -33.377 1.00 0.00 H new ATOM 0 HB3 GLN B 15 0.048 -25.769 -32.997 1.00 0.00 H new ATOM 0 HG2 GLN B 15 -1.057 -27.945 -33.059 1.00 0.00 H new ATOM 0 HG3 GLN B 15 -1.682 -26.906 -34.325 1.00 0.00 H new ATOM 0 HE21 GLN B 15 -2.310 -28.716 -35.631 1.00 0.00 H new ATOM 0 HE22 GLN B 15 -1.097 -29.721 -36.431 1.00 0.00 H new ATOM 1109 N ASN B 16 -0.567 -24.984 -36.909 1.00 0.00 N ATOM 1110 CA ASN B 16 -1.660 -24.290 -37.579 1.00 0.00 C ATOM 1111 C ASN B 16 -2.922 -24.301 -36.722 1.00 0.00 C ATOM 1112 O ASN B 16 -3.153 -25.230 -35.948 1.00 0.00 O ATOM 1113 CB ASN B 16 -1.945 -24.936 -38.936 1.00 0.00 C ATOM 1114 CG ASN B 16 -3.082 -24.255 -39.673 1.00 0.00 C ATOM 1115 OD1 ASN B 16 -2.749 -23.251 -40.476 1.00 0.00 O flip ATOM 1116 ND2 ASN B 16 -4.246 -24.628 -39.522 1.00 0.00 N flip ATOM 0 H ASN B 16 0.064 -25.481 -37.538 1.00 0.00 H new ATOM 0 HA ASN B 16 -1.358 -23.254 -37.733 1.00 0.00 H new ATOM 0 HB2 ASN B 16 -1.045 -24.899 -39.549 1.00 0.00 H new ATOM 0 HB3 ASN B 16 -2.189 -25.988 -38.790 1.00 0.00 H new ATOM 0 HD21 ASN B 16 -4.455 -25.404 -38.894 1.00 0.00 H new ATOM 0 HD22 ASN B 16 -5.001 -24.161 -40.025 1.00 0.00 H new ATOM 1123 N CYS B 17 -3.738 -23.262 -36.872 1.00 0.00 N ATOM 1124 CA CYS B 17 -4.989 -23.156 -36.131 1.00 0.00 C ATOM 1125 C CYS B 17 -6.108 -22.649 -37.033 1.00 0.00 C ATOM 1126 O CYS B 17 -7.226 -22.407 -36.579 1.00 0.00 O ATOM 1127 CB CYS B 17 -4.820 -22.221 -34.931 1.00 0.00 C ATOM 1128 SG CYS B 17 -6.356 -21.929 -33.995 1.00 0.00 S ATOM 0 H CYS B 17 -3.554 -22.481 -37.501 1.00 0.00 H new ATOM 0 HA CYS B 17 -5.256 -24.149 -35.770 1.00 0.00 H new ATOM 0 HB2 CYS B 17 -4.072 -22.641 -34.259 1.00 0.00 H new ATOM 0 HB3 CYS B 17 -4.433 -21.264 -35.281 1.00 0.00 H new ATOM 1133 N GLY B 18 -5.794 -22.490 -38.314 1.00 0.00 N ATOM 1134 CA GLY B 18 -6.777 -22.012 -39.266 1.00 0.00 C ATOM 1135 C GLY B 18 -6.316 -22.172 -40.701 1.00 0.00 C ATOM 1136 O GLY B 18 -5.762 -23.206 -41.071 1.00 0.00 O ATOM 0 H GLY B 18 -4.874 -22.684 -38.710 1.00 0.00 H new ATOM 0 HA2 GLY B 18 -7.711 -22.556 -39.124 1.00 0.00 H new ATOM 0 HA3 GLY B 18 -6.988 -20.961 -39.070 1.00 0.00 H new ATOM 1140 N PHE B 19 -6.547 -21.145 -41.511 1.00 0.00 N ATOM 1141 CA PHE B 19 -6.148 -21.173 -42.913 1.00 0.00 C ATOM 1142 C PHE B 19 -4.922 -20.296 -43.150 1.00 0.00 C ATOM 1143 O PHE B 19 -4.514 -19.533 -42.275 1.00 0.00 O ATOM 1144 CB PHE B 19 -7.304 -20.719 -43.806 1.00 0.00 C ATOM 1145 CG PHE B 19 -7.835 -19.357 -43.461 1.00 0.00 C ATOM 1146 CD1 PHE B 19 -8.699 -19.187 -42.391 1.00 0.00 C ATOM 1147 CD2 PHE B 19 -7.474 -18.248 -44.209 1.00 0.00 C ATOM 1148 CE1 PHE B 19 -9.192 -17.936 -42.073 1.00 0.00 C ATOM 1149 CE2 PHE B 19 -7.963 -16.994 -43.895 1.00 0.00 C ATOM 1150 CZ PHE B 19 -8.824 -16.838 -42.826 1.00 0.00 C ATOM 0 H PHE B 19 -7.008 -20.283 -41.221 1.00 0.00 H new ATOM 0 HA PHE B 19 -5.888 -22.200 -43.170 1.00 0.00 H new ATOM 0 HB2 PHE B 19 -6.971 -20.717 -44.844 1.00 0.00 H new ATOM 0 HB3 PHE B 19 -8.114 -21.444 -43.733 1.00 0.00 H new ATOM 0 HD1 PHE B 19 -8.990 -20.042 -41.799 1.00 0.00 H new ATOM 0 HD2 PHE B 19 -6.803 -18.365 -45.047 1.00 0.00 H new ATOM 0 HE1 PHE B 19 -9.865 -17.817 -41.236 1.00 0.00 H new ATOM 0 HE2 PHE B 19 -7.672 -16.137 -44.485 1.00 0.00 H new ATOM 0 HZ PHE B 19 -9.209 -15.859 -42.579 1.00 0.00 H new ATOM 1160 N PRO B 20 -4.314 -20.409 -44.340 1.00 0.00 N ATOM 1161 CA PRO B 20 -3.107 -19.651 -44.690 1.00 0.00 C ATOM 1162 C PRO B 20 -3.388 -18.163 -44.875 1.00 0.00 C ATOM 1163 O PRO B 20 -2.464 -17.353 -44.946 1.00 0.00 O ATOM 1164 CB PRO B 20 -2.664 -20.281 -46.012 1.00 0.00 C ATOM 1165 CG PRO B 20 -3.910 -20.848 -46.598 1.00 0.00 C ATOM 1166 CD PRO B 20 -4.749 -21.295 -45.434 1.00 0.00 C ATOM 0 HA PRO B 20 -2.353 -19.701 -43.905 1.00 0.00 H new ATOM 0 HB2 PRO B 20 -2.217 -19.539 -46.674 1.00 0.00 H new ATOM 0 HB3 PRO B 20 -1.915 -21.056 -45.850 1.00 0.00 H new ATOM 0 HG2 PRO B 20 -4.436 -20.102 -47.194 1.00 0.00 H new ATOM 0 HG3 PRO B 20 -3.685 -21.684 -47.260 1.00 0.00 H new ATOM 0 HD2 PRO B 20 -5.814 -21.186 -45.641 1.00 0.00 H new ATOM 0 HD3 PRO B 20 -4.577 -22.344 -45.194 1.00 0.00 H new ATOM 1174 N GLY B 21 -4.666 -17.811 -44.958 1.00 0.00 N ATOM 1175 CA GLY B 21 -5.039 -16.421 -45.148 1.00 0.00 C ATOM 1176 C GLY B 21 -5.642 -15.806 -43.900 1.00 0.00 C ATOM 1177 O GLY B 21 -6.107 -14.666 -43.924 1.00 0.00 O ATOM 0 H GLY B 21 -5.449 -18.462 -44.897 1.00 0.00 H new ATOM 0 HA2 GLY B 21 -4.159 -15.849 -45.442 1.00 0.00 H new ATOM 0 HA3 GLY B 21 -5.755 -16.349 -45.967 1.00 0.00 H new ATOM 1181 N VAL B 22 -5.637 -16.562 -42.807 1.00 0.00 N ATOM 1182 CA VAL B 22 -6.198 -16.088 -41.547 1.00 0.00 C ATOM 1183 C VAL B 22 -5.699 -14.686 -41.215 1.00 0.00 C ATOM 1184 O VAL B 22 -4.665 -14.248 -41.720 1.00 0.00 O ATOM 1185 CB VAL B 22 -5.849 -17.034 -40.383 1.00 0.00 C ATOM 1186 CG1 VAL B 22 -6.415 -18.423 -40.634 1.00 0.00 C ATOM 1187 CG2 VAL B 22 -4.343 -17.093 -40.177 1.00 0.00 C ATOM 0 H VAL B 22 -5.251 -17.505 -42.768 1.00 0.00 H new ATOM 0 HA VAL B 22 -7.280 -16.065 -41.673 1.00 0.00 H new ATOM 0 HB VAL B 22 -6.303 -16.642 -39.472 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -6.158 -19.077 -39.801 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -7.499 -18.363 -40.727 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -5.994 -18.826 -41.555 1.00 0.00 H new ATOM 0 HG21 VAL B 22 -4.115 -17.766 -39.351 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -3.866 -17.459 -41.086 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -3.968 -16.096 -39.947 1.00 0.00 H new ATOM 1197 N THR B 23 -6.442 -13.987 -40.363 1.00 0.00 N ATOM 1198 CA THR B 23 -6.076 -12.634 -39.961 1.00 0.00 C ATOM 1199 C THR B 23 -6.194 -12.460 -38.450 1.00 0.00 C ATOM 1200 O THR B 23 -6.579 -13.387 -37.738 1.00 0.00 O ATOM 1201 CB THR B 23 -6.962 -11.584 -40.658 1.00 0.00 C ATOM 1202 OG1 THR B 23 -8.336 -11.792 -40.311 1.00 0.00 O ATOM 1203 CG2 THR B 23 -6.800 -11.657 -42.169 1.00 0.00 C ATOM 0 H THR B 23 -7.301 -14.335 -39.938 1.00 0.00 H new ATOM 0 HA THR B 23 -5.039 -12.482 -40.262 1.00 0.00 H new ATOM 0 HB THR B 23 -6.648 -10.596 -40.321 1.00 0.00 H new ATOM 0 HG1 THR B 23 -8.871 -11.032 -40.623 1.00 0.00 H new ATOM 0 HG21 THR B 23 -7.435 -10.907 -42.640 1.00 0.00 H new ATOM 0 HG22 THR B 23 -5.759 -11.469 -42.433 1.00 0.00 H new ATOM 0 HG23 THR B 23 -7.089 -12.648 -42.519 1.00 0.00 H new ATOM 1211 N PRO B 24 -5.861 -11.262 -37.946 1.00 0.00 N ATOM 1212 CA PRO B 24 -5.924 -10.961 -36.512 1.00 0.00 C ATOM 1213 C PRO B 24 -7.278 -11.313 -35.905 1.00 0.00 C ATOM 1214 O PRO B 24 -7.357 -12.057 -34.928 1.00 0.00 O ATOM 1215 CB PRO B 24 -5.688 -9.450 -36.456 1.00 0.00 C ATOM 1216 CG PRO B 24 -4.912 -9.143 -37.689 1.00 0.00 C ATOM 1217 CD PRO B 24 -5.394 -10.109 -38.735 1.00 0.00 C ATOM 0 HA PRO B 24 -5.198 -11.540 -35.941 1.00 0.00 H new ATOM 0 HB2 PRO B 24 -6.630 -8.903 -36.435 1.00 0.00 H new ATOM 0 HB3 PRO B 24 -5.135 -9.168 -35.560 1.00 0.00 H new ATOM 0 HG2 PRO B 24 -5.074 -8.113 -38.005 1.00 0.00 H new ATOM 0 HG3 PRO B 24 -3.842 -9.258 -37.515 1.00 0.00 H new ATOM 0 HD2 PRO B 24 -6.197 -9.682 -39.337 1.00 0.00 H new ATOM 0 HD3 PRO B 24 -4.595 -10.389 -39.422 1.00 0.00 H new ATOM 1225 N SER B 25 -8.341 -10.770 -36.488 1.00 0.00 N ATOM 1226 CA SER B 25 -9.693 -11.020 -35.998 1.00 0.00 C ATOM 1227 C SER B 25 -10.142 -12.438 -36.337 1.00 0.00 C ATOM 1228 O SER B 25 -10.738 -13.125 -35.507 1.00 0.00 O ATOM 1229 CB SER B 25 -10.669 -10.006 -36.598 1.00 0.00 C ATOM 1230 OG SER B 25 -10.310 -8.681 -36.246 1.00 0.00 O ATOM 0 H SER B 25 -8.294 -10.154 -37.300 1.00 0.00 H new ATOM 0 HA SER B 25 -9.686 -10.911 -34.913 1.00 0.00 H new ATOM 0 HB2 SER B 25 -10.681 -10.107 -37.683 1.00 0.00 H new ATOM 0 HB3 SER B 25 -11.679 -10.218 -36.247 1.00 0.00 H new ATOM 0 HG SER B 25 -10.948 -8.053 -36.643 1.00 0.00 H new ATOM 1236 N GLN B 26 -9.853 -12.869 -37.561 1.00 0.00 N ATOM 1237 CA GLN B 26 -10.232 -14.203 -38.011 1.00 0.00 C ATOM 1238 C GLN B 26 -9.641 -15.274 -37.100 1.00 0.00 C ATOM 1239 O GLN B 26 -10.289 -16.279 -36.806 1.00 0.00 O ATOM 1240 CB GLN B 26 -9.766 -14.429 -39.450 1.00 0.00 C ATOM 1241 CG GLN B 26 -10.360 -13.444 -40.443 1.00 0.00 C ATOM 1242 CD GLN B 26 -9.873 -13.679 -41.859 1.00 0.00 C ATOM 1243 OE1 GLN B 26 -8.652 -14.185 -41.990 1.00 0.00 O flip ATOM 1244 NE2 GLN B 26 -10.586 -13.408 -42.826 1.00 0.00 N flip ATOM 0 H GLN B 26 -9.358 -12.314 -38.258 1.00 0.00 H new ATOM 0 HA GLN B 26 -11.319 -14.277 -37.971 1.00 0.00 H new ATOM 0 HB2 GLN B 26 -8.679 -14.358 -39.487 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -10.030 -15.442 -39.754 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -11.447 -13.521 -40.419 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -10.105 -12.429 -40.139 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -11.518 -13.021 -42.680 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -10.244 -13.571 -43.773 1.00 0.00 H new ATOM 1253 N CYS B 27 -8.407 -15.055 -36.660 1.00 0.00 N ATOM 1254 CA CYS B 27 -7.725 -16.007 -35.790 1.00 0.00 C ATOM 1255 C CYS B 27 -8.311 -15.971 -34.383 1.00 0.00 C ATOM 1256 O CYS B 27 -8.831 -16.971 -33.890 1.00 0.00 O ATOM 1257 CB CYS B 27 -6.227 -15.703 -35.742 1.00 0.00 C ATOM 1258 SG CYS B 27 -5.260 -16.882 -34.747 1.00 0.00 S ATOM 0 H CYS B 27 -7.858 -14.227 -36.891 1.00 0.00 H new ATOM 0 HA CYS B 27 -7.871 -17.007 -36.199 1.00 0.00 H new ATOM 0 HB2 CYS B 27 -5.836 -15.696 -36.759 1.00 0.00 H new ATOM 0 HB3 CYS B 27 -6.083 -14.701 -35.339 1.00 0.00 H new ATOM 1263 N ALA B 28 -8.230 -14.808 -33.743 1.00 0.00 N ATOM 1264 CA ALA B 28 -8.772 -14.634 -32.403 1.00 0.00 C ATOM 1265 C ALA B 28 -10.142 -15.291 -32.279 1.00 0.00 C ATOM 1266 O ALA B 28 -10.493 -15.827 -31.228 1.00 0.00 O ATOM 1267 CB ALA B 28 -8.859 -13.156 -32.056 1.00 0.00 C ATOM 0 H ALA B 28 -7.793 -13.973 -34.133 1.00 0.00 H new ATOM 0 HA ALA B 28 -8.098 -15.121 -31.698 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -9.266 -13.041 -31.051 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -7.864 -12.713 -32.097 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -9.510 -12.652 -32.771 1.00 0.00 H new ATOM 1273 N ASN B 29 -10.911 -15.250 -33.363 1.00 0.00 N ATOM 1274 CA ASN B 29 -12.235 -15.861 -33.383 1.00 0.00 C ATOM 1275 C ASN B 29 -12.174 -17.295 -32.868 1.00 0.00 C ATOM 1276 O ASN B 29 -13.096 -17.767 -32.202 1.00 0.00 O ATOM 1277 CB ASN B 29 -12.807 -15.839 -34.801 1.00 0.00 C ATOM 1278 CG ASN B 29 -14.187 -16.461 -34.879 1.00 0.00 C ATOM 1279 OD1 ASN B 29 -14.953 -16.423 -33.916 1.00 0.00 O ATOM 1280 ND2 ASN B 29 -14.511 -17.040 -36.029 1.00 0.00 N ATOM 0 H ASN B 29 -10.640 -14.801 -34.238 1.00 0.00 H new ATOM 0 HA ASN B 29 -12.888 -15.284 -32.728 1.00 0.00 H new ATOM 0 HB2 ASN B 29 -12.856 -14.809 -35.154 1.00 0.00 H new ATOM 0 HB3 ASN B 29 -12.133 -16.374 -35.470 1.00 0.00 H new ATOM 0 HD21 ASN B 29 -15.426 -17.477 -36.140 1.00 0.00 H new ATOM 0 HD22 ASN B 29 -13.845 -17.048 -36.801 1.00 0.00 H new ATOM 1287 N LYS B 30 -11.075 -17.978 -33.170 1.00 0.00 N ATOM 1288 CA LYS B 30 -10.872 -19.346 -32.708 1.00 0.00 C ATOM 1289 C LYS B 30 -10.083 -19.363 -31.403 1.00 0.00 C ATOM 1290 O LYS B 30 -10.285 -20.232 -30.555 1.00 0.00 O ATOM 1291 CB LYS B 30 -10.139 -20.163 -33.774 1.00 0.00 C ATOM 1292 CG LYS B 30 -9.872 -21.601 -33.361 1.00 0.00 C ATOM 1293 CD LYS B 30 -11.164 -22.344 -33.062 1.00 0.00 C ATOM 1294 CE LYS B 30 -10.896 -23.780 -32.642 1.00 0.00 C ATOM 1295 NZ LYS B 30 -10.055 -23.852 -31.416 1.00 0.00 N ATOM 0 H LYS B 30 -10.310 -17.606 -33.733 1.00 0.00 H new ATOM 0 HA LYS B 30 -11.849 -19.794 -32.528 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -10.728 -20.161 -34.691 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -9.190 -19.678 -34.004 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -9.331 -22.115 -34.156 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -9.231 -21.614 -32.479 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -11.707 -21.828 -32.271 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -11.803 -22.335 -33.945 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -11.843 -24.289 -32.463 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -10.399 -24.309 -33.455 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -10.076 -24.820 -31.037 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -9.076 -23.593 -31.651 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -10.425 -23.193 -30.702 1.00 0.00 H new ATOM 1309 N GLY B 31 -9.187 -18.394 -31.249 1.00 0.00 N ATOM 1310 CA GLY B 31 -8.391 -18.303 -30.040 1.00 0.00 C ATOM 1311 C GLY B 31 -6.988 -18.849 -30.223 1.00 0.00 C ATOM 1312 O GLY B 31 -6.574 -19.767 -29.515 1.00 0.00 O ATOM 0 H GLY B 31 -8.998 -17.669 -31.941 1.00 0.00 H new ATOM 0 HA2 GLY B 31 -8.333 -17.261 -29.725 1.00 0.00 H new ATOM 0 HA3 GLY B 31 -8.889 -18.851 -29.240 1.00 0.00 H new ATOM 1316 N CYS B 32 -6.253 -18.277 -31.171 1.00 0.00 N ATOM 1317 CA CYS B 32 -4.881 -18.696 -31.433 1.00 0.00 C ATOM 1318 C CYS B 32 -4.005 -17.501 -31.792 1.00 0.00 C ATOM 1319 O CYS B 32 -4.507 -16.422 -32.106 1.00 0.00 O ATOM 1320 CB CYS B 32 -4.843 -19.725 -32.563 1.00 0.00 C ATOM 1321 SG CYS B 32 -5.703 -21.286 -32.184 1.00 0.00 S ATOM 0 H CYS B 32 -6.585 -17.522 -31.771 1.00 0.00 H new ATOM 0 HA CYS B 32 -4.490 -19.152 -30.523 1.00 0.00 H new ATOM 0 HB2 CYS B 32 -5.289 -19.285 -33.455 1.00 0.00 H new ATOM 0 HB3 CYS B 32 -3.803 -19.946 -32.803 1.00 0.00 H new ATOM 1326 N CYS B 33 -2.692 -17.704 -31.749 1.00 0.00 N ATOM 1327 CA CYS B 33 -1.743 -16.650 -32.085 1.00 0.00 C ATOM 1328 C CYS B 33 -1.760 -16.360 -33.582 1.00 0.00 C ATOM 1329 O CYS B 33 -2.125 -17.217 -34.387 1.00 0.00 O ATOM 1330 CB CYS B 33 -0.332 -17.046 -31.648 1.00 0.00 C ATOM 1331 SG CYS B 33 -0.152 -17.299 -29.853 1.00 0.00 S ATOM 0 H CYS B 33 -2.261 -18.590 -31.484 1.00 0.00 H new ATOM 0 HA CYS B 33 -2.040 -15.746 -31.554 1.00 0.00 H new ATOM 0 HB2 CYS B 33 -0.048 -17.963 -32.164 1.00 0.00 H new ATOM 0 HB3 CYS B 33 0.366 -16.272 -31.967 1.00 0.00 H new ATOM 1336 N PHE B 34 -1.366 -15.145 -33.949 1.00 0.00 N ATOM 1337 CA PHE B 34 -1.340 -14.742 -35.350 1.00 0.00 C ATOM 1338 C PHE B 34 -0.015 -14.071 -35.699 1.00 0.00 C ATOM 1339 O PHE B 34 0.340 -13.040 -35.129 1.00 0.00 O ATOM 1340 CB PHE B 34 -2.500 -13.790 -35.651 1.00 0.00 C ATOM 1341 CG PHE B 34 -2.561 -13.354 -37.087 1.00 0.00 C ATOM 1342 CD1 PHE B 34 -3.270 -14.096 -38.019 1.00 0.00 C ATOM 1343 CD2 PHE B 34 -1.911 -12.204 -37.504 1.00 0.00 C ATOM 1344 CE1 PHE B 34 -3.328 -13.699 -39.341 1.00 0.00 C ATOM 1345 CE2 PHE B 34 -1.966 -11.802 -38.826 1.00 0.00 C ATOM 1346 CZ PHE B 34 -2.675 -12.550 -39.746 1.00 0.00 C ATOM 0 H PHE B 34 -1.061 -14.423 -33.296 1.00 0.00 H new ATOM 0 HA PHE B 34 -1.446 -15.638 -35.961 1.00 0.00 H new ATOM 0 HB2 PHE B 34 -3.438 -14.279 -35.388 1.00 0.00 H new ATOM 0 HB3 PHE B 34 -2.411 -12.909 -35.016 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -3.783 -14.994 -37.708 1.00 0.00 H new ATOM 0 HD2 PHE B 34 -1.355 -11.615 -36.789 1.00 0.00 H new ATOM 0 HE1 PHE B 34 -3.883 -14.286 -40.058 1.00 0.00 H new ATOM 0 HE2 PHE B 34 -1.455 -10.904 -39.139 1.00 0.00 H new ATOM 0 HZ PHE B 34 -2.719 -12.238 -40.779 1.00 0.00 H new ATOM 1356 N ASP B 35 0.713 -14.665 -36.639 1.00 0.00 N ATOM 1357 CA ASP B 35 1.998 -14.125 -37.066 1.00 0.00 C ATOM 1358 C ASP B 35 2.067 -14.022 -38.585 1.00 0.00 C ATOM 1359 O ASP B 35 2.377 -14.996 -39.271 1.00 0.00 O ATOM 1360 CB ASP B 35 3.140 -15.004 -36.550 1.00 0.00 C ATOM 1361 CG ASP B 35 4.502 -14.479 -36.961 1.00 0.00 C ATOM 1362 OD1 ASP B 35 4.987 -14.871 -38.044 1.00 0.00 O ATOM 1363 OD2 ASP B 35 5.084 -13.678 -36.199 1.00 0.00 O ATOM 0 H ASP B 35 0.435 -15.521 -37.119 1.00 0.00 H new ATOM 0 HA ASP B 35 2.101 -13.124 -36.647 1.00 0.00 H new ATOM 0 HB2 ASP B 35 3.088 -15.061 -35.463 1.00 0.00 H new ATOM 0 HB3 ASP B 35 3.015 -16.018 -36.929 1.00 0.00 H new ATOM 1368 N ASP B 36 1.777 -12.834 -39.107 1.00 0.00 N ATOM 1369 CA ASP B 36 1.808 -12.603 -40.546 1.00 0.00 C ATOM 1370 C ASP B 36 3.155 -12.031 -40.975 1.00 0.00 C ATOM 1371 O ASP B 36 3.217 -11.058 -41.729 1.00 0.00 O ATOM 1372 CB ASP B 36 0.682 -11.652 -40.956 1.00 0.00 C ATOM 1373 CG ASP B 36 0.794 -10.299 -40.281 1.00 0.00 C ATOM 1374 OD1 ASP B 36 0.226 -10.135 -39.181 1.00 0.00 O ATOM 1375 OD2 ASP B 36 1.449 -9.402 -40.855 1.00 0.00 O ATOM 0 H ASP B 36 1.518 -12.017 -38.554 1.00 0.00 H new ATOM 0 HA ASP B 36 1.664 -13.561 -41.046 1.00 0.00 H new ATOM 0 HB2 ASP B 36 0.699 -11.518 -42.038 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -0.279 -12.102 -40.706 1.00 0.00 H new ATOM 1380 N THR B 37 4.232 -12.638 -40.488 1.00 0.00 N ATOM 1381 CA THR B 37 5.579 -12.184 -40.813 1.00 0.00 C ATOM 1382 C THR B 37 6.324 -13.225 -41.642 1.00 0.00 C ATOM 1383 O THR B 37 7.161 -12.883 -42.478 1.00 0.00 O ATOM 1384 CB THR B 37 6.392 -11.880 -39.542 1.00 0.00 C ATOM 1385 OG1 THR B 37 6.500 -13.060 -38.735 1.00 0.00 O ATOM 1386 CG2 THR B 37 5.740 -10.768 -38.735 1.00 0.00 C ATOM 0 H THR B 37 4.198 -13.446 -39.866 1.00 0.00 H new ATOM 0 HA THR B 37 5.472 -11.268 -41.394 1.00 0.00 H new ATOM 0 HB THR B 37 7.387 -11.553 -39.844 1.00 0.00 H new ATOM 0 HG1 THR B 37 5.782 -13.684 -38.970 1.00 0.00 H new ATOM 0 HG21 THR B 37 6.333 -10.571 -37.842 1.00 0.00 H new ATOM 0 HG22 THR B 37 5.685 -9.863 -39.341 1.00 0.00 H new ATOM 0 HG23 THR B 37 4.734 -11.071 -38.444 1.00 0.00 H new ATOM 1394 N VAL B 38 6.018 -14.495 -41.402 1.00 0.00 N ATOM 1395 CA VAL B 38 6.666 -15.587 -42.119 1.00 0.00 C ATOM 1396 C VAL B 38 5.711 -16.235 -43.114 1.00 0.00 C ATOM 1397 O VAL B 38 4.746 -16.893 -42.725 1.00 0.00 O ATOM 1398 CB VAL B 38 7.190 -16.663 -41.151 1.00 0.00 C ATOM 1399 CG1 VAL B 38 7.860 -17.793 -41.919 1.00 0.00 C ATOM 1400 CG2 VAL B 38 8.149 -16.054 -40.141 1.00 0.00 C ATOM 0 H VAL B 38 5.325 -14.794 -40.716 1.00 0.00 H new ATOM 0 HA VAL B 38 7.509 -15.154 -42.658 1.00 0.00 H new ATOM 0 HB VAL B 38 6.342 -17.078 -40.606 1.00 0.00 H new ATOM 0 HG11 VAL B 38 8.224 -18.544 -41.218 1.00 0.00 H new ATOM 0 HG12 VAL B 38 7.139 -18.249 -42.597 1.00 0.00 H new ATOM 0 HG13 VAL B 38 8.698 -17.396 -42.493 1.00 0.00 H new ATOM 0 HG21 VAL B 38 8.508 -16.831 -39.466 1.00 0.00 H new ATOM 0 HG22 VAL B 38 8.995 -15.609 -40.665 1.00 0.00 H new ATOM 0 HG23 VAL B 38 7.633 -15.285 -39.567 1.00 0.00 H new ATOM 1410 N ARG B 39 5.989 -16.051 -44.401 1.00 0.00 N ATOM 1411 CA ARG B 39 5.160 -16.629 -45.453 1.00 0.00 C ATOM 1412 C ARG B 39 5.291 -18.147 -45.475 1.00 0.00 C ATOM 1413 O ARG B 39 6.048 -18.727 -44.697 1.00 0.00 O ATOM 1414 CB ARG B 39 5.551 -16.050 -46.814 1.00 0.00 C ATOM 1415 CG ARG B 39 5.367 -14.545 -46.912 1.00 0.00 C ATOM 1416 CD ARG B 39 3.916 -14.146 -46.697 1.00 0.00 C ATOM 1417 NE ARG B 39 3.030 -14.756 -47.685 1.00 0.00 N ATOM 1418 CZ ARG B 39 1.753 -14.418 -47.835 1.00 0.00 C ATOM 1419 NH1 ARG B 39 1.217 -13.480 -47.067 1.00 0.00 N ATOM 1420 NH2 ARG B 39 1.010 -15.020 -48.755 1.00 0.00 N ATOM 0 H ARG B 39 6.782 -15.506 -44.740 1.00 0.00 H new ATOM 0 HA ARG B 39 4.121 -16.376 -45.244 1.00 0.00 H new ATOM 0 HB2 ARG B 39 6.594 -16.294 -47.017 1.00 0.00 H new ATOM 0 HB3 ARG B 39 4.955 -16.531 -47.589 1.00 0.00 H new ATOM 0 HG2 ARG B 39 5.995 -14.052 -46.170 1.00 0.00 H new ATOM 0 HG3 ARG B 39 5.699 -14.200 -47.891 1.00 0.00 H new ATOM 0 HD2 ARG B 39 3.603 -14.443 -45.696 1.00 0.00 H new ATOM 0 HD3 ARG B 39 3.826 -13.061 -46.750 1.00 0.00 H new ATOM 0 HE ARG B 39 3.412 -15.481 -48.293 1.00 0.00 H new ATOM 0 HH11 ARG B 39 1.785 -13.015 -46.358 1.00 0.00 H new ATOM 0 HH12 ARG B 39 0.237 -13.223 -47.185 1.00 0.00 H new ATOM 0 HH21 ARG B 39 1.419 -15.743 -49.348 1.00 0.00 H new ATOM 0 HH22 ARG B 39 0.030 -14.760 -48.869 1.00 0.00 H new ATOM 1434 N GLY B 40 4.549 -18.788 -46.373 1.00 0.00 N ATOM 1435 CA GLY B 40 4.594 -20.234 -46.476 1.00 0.00 C ATOM 1436 C GLY B 40 3.943 -20.920 -45.291 1.00 0.00 C ATOM 1437 O GLY B 40 3.041 -21.742 -45.460 1.00 0.00 O ATOM 0 H GLY B 40 3.918 -18.331 -47.031 1.00 0.00 H new ATOM 0 HA2 GLY B 40 4.093 -20.546 -47.393 1.00 0.00 H new ATOM 0 HA3 GLY B 40 5.632 -20.558 -46.554 1.00 0.00 H new ATOM 1441 N VAL B 41 4.399 -20.582 -44.090 1.00 0.00 N ATOM 1442 CA VAL B 41 3.851 -21.165 -42.872 1.00 0.00 C ATOM 1443 C VAL B 41 2.571 -20.452 -42.449 1.00 0.00 C ATOM 1444 O VAL B 41 2.347 -19.295 -42.804 1.00 0.00 O ATOM 1445 CB VAL B 41 4.865 -21.105 -41.714 1.00 0.00 C ATOM 1446 CG1 VAL B 41 6.129 -21.872 -42.070 1.00 0.00 C ATOM 1447 CG2 VAL B 41 5.188 -19.661 -41.363 1.00 0.00 C ATOM 0 H VAL B 41 5.147 -19.907 -43.934 1.00 0.00 H new ATOM 0 HA VAL B 41 3.627 -22.208 -43.094 1.00 0.00 H new ATOM 0 HB VAL B 41 4.418 -21.576 -40.838 1.00 0.00 H new ATOM 0 HG11 VAL B 41 6.833 -21.818 -41.240 1.00 0.00 H new ATOM 0 HG12 VAL B 41 5.879 -22.915 -42.267 1.00 0.00 H new ATOM 0 HG13 VAL B 41 6.582 -21.434 -42.959 1.00 0.00 H new ATOM 0 HG21 VAL B 41 5.906 -19.638 -40.543 1.00 0.00 H new ATOM 0 HG22 VAL B 41 5.615 -19.162 -42.233 1.00 0.00 H new ATOM 0 HG23 VAL B 41 4.275 -19.147 -41.061 1.00 0.00 H new ATOM 1457 N PRO B 42 1.714 -21.142 -41.679 1.00 0.00 N ATOM 1458 CA PRO B 42 0.450 -20.576 -41.199 1.00 0.00 C ATOM 1459 C PRO B 42 0.664 -19.468 -40.175 1.00 0.00 C ATOM 1460 O PRO B 42 1.545 -19.561 -39.319 1.00 0.00 O ATOM 1461 CB PRO B 42 -0.252 -21.773 -40.553 1.00 0.00 C ATOM 1462 CG PRO B 42 0.850 -22.701 -40.173 1.00 0.00 C ATOM 1463 CD PRO B 42 1.916 -22.525 -41.218 1.00 0.00 C ATOM 0 HA PRO B 42 -0.121 -20.113 -42.004 1.00 0.00 H new ATOM 0 HB2 PRO B 42 -0.831 -21.469 -39.681 1.00 0.00 H new ATOM 0 HB3 PRO B 42 -0.946 -22.246 -41.247 1.00 0.00 H new ATOM 0 HG2 PRO B 42 1.234 -22.466 -39.180 1.00 0.00 H new ATOM 0 HG3 PRO B 42 0.499 -23.733 -40.143 1.00 0.00 H new ATOM 0 HD2 PRO B 42 2.914 -22.669 -40.803 1.00 0.00 H new ATOM 0 HD3 PRO B 42 1.803 -23.241 -42.032 1.00 0.00 H new ATOM 1471 N TRP B 43 -0.144 -18.417 -40.268 1.00 0.00 N ATOM 1472 CA TRP B 43 -0.038 -17.290 -39.350 1.00 0.00 C ATOM 1473 C TRP B 43 -0.753 -17.588 -38.036 1.00 0.00 C ATOM 1474 O TRP B 43 -0.206 -17.367 -36.956 1.00 0.00 O ATOM 1475 CB TRP B 43 -0.624 -16.027 -39.986 1.00 0.00 C ATOM 1476 CG TRP B 43 0.049 -15.640 -41.268 1.00 0.00 C ATOM 1477 CD1 TRP B 43 1.390 -15.648 -41.525 1.00 0.00 C ATOM 1478 CD2 TRP B 43 -0.587 -15.182 -42.466 1.00 0.00 C ATOM 1479 NE1 TRP B 43 1.626 -15.227 -42.811 1.00 0.00 N ATOM 1480 CE2 TRP B 43 0.428 -14.935 -43.409 1.00 0.00 C ATOM 1481 CE3 TRP B 43 -1.917 -14.960 -42.833 1.00 0.00 C ATOM 1482 CZ2 TRP B 43 0.153 -14.476 -44.695 1.00 0.00 C ATOM 1483 CZ3 TRP B 43 -2.188 -14.503 -44.109 1.00 0.00 C ATOM 1484 CH2 TRP B 43 -1.158 -14.266 -45.027 1.00 0.00 C ATOM 0 H TRP B 43 -0.879 -18.323 -40.969 1.00 0.00 H new ATOM 0 HA TRP B 43 1.019 -17.126 -39.140 1.00 0.00 H new ATOM 0 HB2 TRP B 43 -1.686 -16.183 -40.174 1.00 0.00 H new ATOM 0 HB3 TRP B 43 -0.544 -15.202 -39.278 1.00 0.00 H new ATOM 0 HD1 TRP B 43 2.154 -15.942 -40.820 1.00 0.00 H new ATOM 0 HE1 TRP B 43 2.543 -15.145 -43.249 1.00 0.00 H new ATOM 0 HE3 TRP B 43 -2.718 -15.142 -42.132 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 0.946 -14.292 -45.405 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 -3.212 -14.326 -44.403 1.00 0.00 H new ATOM 0 HH2 TRP B 43 -1.403 -13.910 -46.017 1.00 0.00 H new ATOM 1495 N CYS B 44 -1.979 -18.093 -38.136 1.00 0.00 N ATOM 1496 CA CYS B 44 -2.767 -18.423 -36.954 1.00 0.00 C ATOM 1497 C CYS B 44 -2.473 -19.846 -36.488 1.00 0.00 C ATOM 1498 O CYS B 44 -2.682 -20.807 -37.227 1.00 0.00 O ATOM 1499 CB CYS B 44 -4.259 -18.268 -37.251 1.00 0.00 C ATOM 1500 SG CYS B 44 -5.342 -18.601 -35.824 1.00 0.00 S ATOM 0 H CYS B 44 -2.447 -18.282 -39.022 1.00 0.00 H new ATOM 0 HA CYS B 44 -2.490 -17.733 -36.157 1.00 0.00 H new ATOM 0 HB2 CYS B 44 -4.444 -17.254 -37.605 1.00 0.00 H new ATOM 0 HB3 CYS B 44 -4.529 -18.943 -38.063 1.00 0.00 H new ATOM 1505 N PHE B 45 -1.982 -19.971 -35.259 1.00 0.00 N ATOM 1506 CA PHE B 45 -1.644 -21.275 -34.701 1.00 0.00 C ATOM 1507 C PHE B 45 -1.768 -21.266 -33.181 1.00 0.00 C ATOM 1508 O PHE B 45 -1.955 -20.215 -32.569 1.00 0.00 O ATOM 1509 CB PHE B 45 -0.223 -21.670 -35.106 1.00 0.00 C ATOM 1510 CG PHE B 45 0.825 -20.698 -34.643 1.00 0.00 C ATOM 1511 CD1 PHE B 45 1.152 -19.594 -35.414 1.00 0.00 C ATOM 1512 CD2 PHE B 45 1.482 -20.888 -33.439 1.00 0.00 C ATOM 1513 CE1 PHE B 45 2.115 -18.698 -34.992 1.00 0.00 C ATOM 1514 CE2 PHE B 45 2.447 -19.996 -33.011 1.00 0.00 C ATOM 1515 CZ PHE B 45 2.763 -18.899 -33.789 1.00 0.00 C ATOM 0 H PHE B 45 -1.810 -19.186 -34.631 1.00 0.00 H new ATOM 0 HA PHE B 45 -2.346 -22.007 -35.099 1.00 0.00 H new ATOM 0 HB2 PHE B 45 0.002 -22.656 -34.698 1.00 0.00 H new ATOM 0 HB3 PHE B 45 -0.174 -21.755 -36.192 1.00 0.00 H new ATOM 0 HD1 PHE B 45 0.648 -19.432 -36.356 1.00 0.00 H new ATOM 0 HD2 PHE B 45 1.237 -21.744 -32.827 1.00 0.00 H new ATOM 0 HE1 PHE B 45 2.361 -17.841 -35.602 1.00 0.00 H new ATOM 0 HE2 PHE B 45 2.953 -20.156 -32.070 1.00 0.00 H new ATOM 0 HZ PHE B 45 3.516 -18.199 -33.457 1.00 0.00 H new ATOM 1525 N TYR B 46 -1.659 -22.446 -32.578 1.00 0.00 N ATOM 1526 CA TYR B 46 -1.748 -22.574 -31.128 1.00 0.00 C ATOM 1527 C TYR B 46 -0.463 -22.095 -30.461 1.00 0.00 C ATOM 1528 O TYR B 46 0.601 -22.081 -31.080 1.00 0.00 O ATOM 1529 CB TYR B 46 -2.027 -24.027 -30.741 1.00 0.00 C ATOM 1530 CG TYR B 46 -3.325 -24.566 -31.300 1.00 0.00 C ATOM 1531 CD1 TYR B 46 -3.385 -25.096 -32.583 1.00 0.00 C ATOM 1532 CD2 TYR B 46 -4.490 -24.547 -30.543 1.00 0.00 C ATOM 1533 CE1 TYR B 46 -4.568 -25.589 -33.097 1.00 0.00 C ATOM 1534 CE2 TYR B 46 -5.677 -25.039 -31.049 1.00 0.00 C ATOM 1535 CZ TYR B 46 -5.711 -25.559 -32.326 1.00 0.00 C ATOM 1536 OH TYR B 46 -6.892 -26.050 -32.834 1.00 0.00 O ATOM 0 H TYR B 46 -1.509 -23.326 -33.071 1.00 0.00 H new ATOM 0 HA TYR B 46 -2.571 -21.949 -30.781 1.00 0.00 H new ATOM 0 HB2 TYR B 46 -1.204 -24.651 -31.090 1.00 0.00 H new ATOM 0 HB3 TYR B 46 -2.049 -24.107 -29.654 1.00 0.00 H new ATOM 0 HD1 TYR B 46 -2.491 -25.123 -33.189 1.00 0.00 H new ATOM 0 HD2 TYR B 46 -4.467 -24.141 -29.543 1.00 0.00 H new ATOM 0 HE1 TYR B 46 -4.598 -25.996 -34.097 1.00 0.00 H new ATOM 0 HE2 TYR B 46 -6.574 -25.017 -30.448 1.00 0.00 H new ATOM 0 HH TYR B 46 -7.601 -25.956 -32.164 1.00 0.00 H new ATOM 1546 N PRO B 47 -0.550 -21.698 -29.183 1.00 0.00 N ATOM 1547 CA PRO B 47 0.606 -21.215 -28.421 1.00 0.00 C ATOM 1548 C PRO B 47 1.598 -22.330 -28.105 1.00 0.00 C ATOM 1549 O PRO B 47 1.461 -23.452 -28.593 1.00 0.00 O ATOM 1550 CB PRO B 47 -0.017 -20.673 -27.134 1.00 0.00 C ATOM 1551 CG PRO B 47 -1.294 -21.426 -26.984 1.00 0.00 C ATOM 1552 CD PRO B 47 -1.787 -21.689 -28.381 1.00 0.00 C ATOM 0 HA PRO B 47 1.179 -20.473 -28.977 1.00 0.00 H new ATOM 0 HB2 PRO B 47 0.639 -20.833 -26.279 1.00 0.00 H new ATOM 0 HB3 PRO B 47 -0.196 -19.600 -27.202 1.00 0.00 H new ATOM 0 HG2 PRO B 47 -1.135 -22.359 -26.444 1.00 0.00 H new ATOM 0 HG3 PRO B 47 -2.023 -20.849 -26.415 1.00 0.00 H new ATOM 0 HD2 PRO B 47 -2.316 -22.639 -28.448 1.00 0.00 H new ATOM 0 HD3 PRO B 47 -2.478 -20.915 -28.716 1.00 0.00 H new ATOM 1560 N ASN B 48 2.594 -22.012 -27.286 1.00 0.00 N ATOM 1561 CA ASN B 48 3.609 -22.989 -26.904 1.00 0.00 C ATOM 1562 C ASN B 48 3.681 -23.134 -25.387 1.00 0.00 C ATOM 1563 O ASN B 48 4.228 -22.273 -24.696 1.00 0.00 O ATOM 1564 CB ASN B 48 4.975 -22.578 -27.454 1.00 0.00 C ATOM 1565 CG ASN B 48 5.426 -21.226 -26.937 1.00 0.00 C ATOM 1566 OD1 ASN B 48 6.084 -21.132 -25.901 1.00 0.00 O ATOM 1567 ND2 ASN B 48 5.071 -20.169 -27.658 1.00 0.00 N ATOM 0 H ASN B 48 2.721 -21.088 -26.874 1.00 0.00 H new ATOM 0 HA ASN B 48 3.329 -23.952 -27.330 1.00 0.00 H new ATOM 0 HB2 ASN B 48 5.714 -23.332 -27.183 1.00 0.00 H new ATOM 0 HB3 ASN B 48 4.932 -22.551 -28.543 1.00 0.00 H new ATOM 0 HD21 ASN B 48 5.344 -19.233 -27.359 1.00 0.00 H new ATOM 0 HD22 ASN B 48 4.525 -20.293 -28.511 1.00 0.00 H new ATOM 1574 N THR B 49 3.127 -24.227 -24.875 1.00 0.00 N ATOM 1575 CA THR B 49 3.127 -24.485 -23.440 1.00 0.00 C ATOM 1576 C THR B 49 4.540 -24.753 -22.931 1.00 0.00 C ATOM 1577 O THR B 49 4.933 -25.903 -22.741 1.00 0.00 O ATOM 1578 CB THR B 49 2.230 -25.685 -23.084 1.00 0.00 C ATOM 1579 OG1 THR B 49 2.701 -26.863 -23.748 1.00 0.00 O ATOM 1580 CG2 THR B 49 0.787 -25.417 -23.480 1.00 0.00 C ATOM 0 H THR B 49 2.672 -24.949 -25.433 1.00 0.00 H new ATOM 0 HA THR B 49 2.732 -23.591 -22.958 1.00 0.00 H new ATOM 0 HB THR B 49 2.273 -25.835 -22.005 1.00 0.00 H new ATOM 0 HG1 THR B 49 3.634 -27.029 -23.497 1.00 0.00 H new ATOM 0 HG21 THR B 49 0.172 -26.278 -23.219 1.00 0.00 H new ATOM 0 HG22 THR B 49 0.422 -24.537 -22.951 1.00 0.00 H new ATOM 0 HG23 THR B 49 0.731 -25.243 -24.555 1.00 0.00 H new ATOM 1588 N ILE B 50 5.297 -23.684 -22.710 1.00 0.00 N ATOM 1589 CA ILE B 50 6.664 -23.803 -22.220 1.00 0.00 C ATOM 1590 C ILE B 50 6.698 -23.871 -20.697 1.00 0.00 C ATOM 1591 O ILE B 50 5.812 -23.346 -20.023 1.00 0.00 O ATOM 1592 CB ILE B 50 7.536 -22.623 -22.689 1.00 0.00 C ATOM 1593 CG1 ILE B 50 7.585 -22.573 -24.218 1.00 0.00 C ATOM 1594 CG2 ILE B 50 8.938 -22.737 -22.113 1.00 0.00 C ATOM 1595 CD1 ILE B 50 8.423 -21.434 -24.758 1.00 0.00 C ATOM 0 H ILE B 50 4.986 -22.725 -22.863 1.00 0.00 H new ATOM 0 HA ILE B 50 7.067 -24.728 -22.632 1.00 0.00 H new ATOM 0 HB ILE B 50 7.091 -21.696 -22.327 1.00 0.00 H new ATOM 0 HG12 ILE B 50 7.984 -23.516 -24.592 1.00 0.00 H new ATOM 0 HG13 ILE B 50 6.570 -22.481 -24.603 1.00 0.00 H new ATOM 0 HG21 ILE B 50 9.541 -21.896 -22.454 1.00 0.00 H new ATOM 0 HG22 ILE B 50 8.886 -22.728 -21.024 1.00 0.00 H new ATOM 0 HG23 ILE B 50 9.394 -23.669 -22.447 1.00 0.00 H new ATOM 0 HD11 ILE B 50 8.413 -21.460 -25.848 1.00 0.00 H new ATOM 0 HD12 ILE B 50 8.012 -20.485 -24.414 1.00 0.00 H new ATOM 0 HD13 ILE B 50 9.448 -21.536 -24.402 1.00 0.00 H new ATOM 1607 N ASP B 51 7.726 -24.520 -20.161 1.00 0.00 N ATOM 1608 CA ASP B 51 7.873 -24.659 -18.717 1.00 0.00 C ATOM 1609 C ASP B 51 9.037 -23.817 -18.205 1.00 0.00 C ATOM 1610 O ASP B 51 10.124 -23.826 -18.782 1.00 0.00 O ATOM 1611 CB ASP B 51 8.088 -26.126 -18.343 1.00 0.00 C ATOM 1612 CG ASP B 51 6.922 -27.004 -18.752 1.00 0.00 C ATOM 1613 OD1 ASP B 51 6.940 -27.525 -19.886 1.00 0.00 O ATOM 1614 OD2 ASP B 51 5.990 -27.170 -17.937 1.00 0.00 O ATOM 0 H ASP B 51 8.470 -24.958 -20.705 1.00 0.00 H new ATOM 0 HA ASP B 51 6.956 -24.303 -18.249 1.00 0.00 H new ATOM 0 HB2 ASP B 51 8.998 -26.490 -18.820 1.00 0.00 H new ATOM 0 HB3 ASP B 51 8.239 -26.205 -17.266 1.00 0.00 H new ATOM 1619 N VAL B 52 8.801 -23.091 -17.117 1.00 0.00 N ATOM 1620 CA VAL B 52 9.830 -22.247 -16.523 1.00 0.00 C ATOM 1621 C VAL B 52 10.271 -22.781 -15.163 1.00 0.00 C ATOM 1622 O VAL B 52 11.268 -22.328 -14.603 1.00 0.00 O ATOM 1623 CB VAL B 52 9.340 -20.796 -16.357 1.00 0.00 C ATOM 1624 CG1 VAL B 52 10.425 -19.933 -15.733 1.00 0.00 C ATOM 1625 CG2 VAL B 52 8.898 -20.225 -17.694 1.00 0.00 C ATOM 0 H VAL B 52 7.906 -23.071 -16.629 1.00 0.00 H new ATOM 0 HA VAL B 52 10.679 -22.262 -17.206 1.00 0.00 H new ATOM 0 HB VAL B 52 8.480 -20.798 -15.687 1.00 0.00 H new ATOM 0 HG11 VAL B 52 10.060 -18.912 -15.624 1.00 0.00 H new ATOM 0 HG12 VAL B 52 10.688 -20.331 -14.753 1.00 0.00 H new ATOM 0 HG13 VAL B 52 11.306 -19.937 -16.374 1.00 0.00 H new ATOM 0 HG21 VAL B 52 8.555 -19.199 -17.556 1.00 0.00 H new ATOM 0 HG22 VAL B 52 9.737 -20.237 -18.390 1.00 0.00 H new ATOM 0 HG23 VAL B 52 8.084 -20.828 -18.096 1.00 0.00 H new ATOM 1635 N PRO B 53 9.524 -23.752 -14.614 1.00 0.00 N ATOM 1636 CA PRO B 53 9.832 -24.345 -13.309 1.00 0.00 C ATOM 1637 C PRO B 53 11.081 -25.220 -13.350 1.00 0.00 C ATOM 1638 O PRO B 53 11.029 -26.375 -13.772 1.00 0.00 O ATOM 1639 CB PRO B 53 8.596 -25.194 -13.005 1.00 0.00 C ATOM 1640 CG PRO B 53 8.029 -25.528 -14.341 1.00 0.00 C ATOM 1641 CD PRO B 53 8.319 -24.344 -15.222 1.00 0.00 C ATOM 0 HA PRO B 53 10.041 -23.586 -12.556 1.00 0.00 H new ATOM 0 HB2 PRO B 53 8.861 -26.094 -12.451 1.00 0.00 H new ATOM 0 HB3 PRO B 53 7.878 -24.644 -12.396 1.00 0.00 H new ATOM 0 HG2 PRO B 53 8.484 -26.434 -14.742 1.00 0.00 H new ATOM 0 HG3 PRO B 53 6.957 -25.712 -14.275 1.00 0.00 H new ATOM 0 HD2 PRO B 53 8.497 -24.645 -16.254 1.00 0.00 H new ATOM 0 HD3 PRO B 53 7.488 -23.639 -15.234 1.00 0.00 H new ATOM 1649 N PRO B 54 12.223 -24.672 -12.907 1.00 0.00 N ATOM 1650 CA PRO B 54 13.499 -25.395 -12.892 1.00 0.00 C ATOM 1651 C PRO B 54 13.514 -26.512 -11.855 1.00 0.00 C ATOM 1652 O PRO B 54 13.911 -27.640 -12.148 1.00 0.00 O ATOM 1653 CB PRO B 54 14.531 -24.316 -12.527 1.00 0.00 C ATOM 1654 CG PRO B 54 13.813 -23.012 -12.651 1.00 0.00 C ATOM 1655 CD PRO B 54 12.365 -23.307 -12.392 1.00 0.00 C ATOM 0 HA PRO B 54 13.698 -25.881 -13.847 1.00 0.00 H new ATOM 0 HB2 PRO B 54 14.908 -24.461 -11.514 1.00 0.00 H new ATOM 0 HB3 PRO B 54 15.391 -24.355 -13.196 1.00 0.00 H new ATOM 0 HG2 PRO B 54 14.197 -22.286 -11.934 1.00 0.00 H new ATOM 0 HG3 PRO B 54 13.952 -22.584 -13.644 1.00 0.00 H new ATOM 0 HD2 PRO B 54 12.122 -23.246 -11.331 1.00 0.00 H new ATOM 0 HD3 PRO B 54 11.709 -22.607 -12.910 1.00 0.00 H new ATOM 1663 N GLU B 55 13.080 -26.191 -10.640 1.00 0.00 N ATOM 1664 CA GLU B 55 13.042 -27.168 -9.558 1.00 0.00 C ATOM 1665 C GLU B 55 11.920 -26.849 -8.576 1.00 0.00 C ATOM 1666 O GLU B 55 11.164 -25.897 -8.771 1.00 0.00 O ATOM 1667 CB GLU B 55 14.385 -27.199 -8.825 1.00 0.00 C ATOM 1668 CG GLU B 55 14.428 -28.193 -7.676 1.00 0.00 C ATOM 1669 CD GLU B 55 15.767 -28.203 -6.964 1.00 0.00 C ATOM 1670 OE1 GLU B 55 16.650 -28.986 -7.372 1.00 0.00 O ATOM 1671 OE2 GLU B 55 15.931 -27.429 -5.998 1.00 0.00 O ATOM 0 H GLU B 55 12.750 -25.262 -10.380 1.00 0.00 H new ATOM 0 HA GLU B 55 12.850 -28.149 -9.993 1.00 0.00 H new ATOM 0 HB2 GLU B 55 15.173 -27.445 -9.537 1.00 0.00 H new ATOM 0 HB3 GLU B 55 14.603 -26.203 -8.441 1.00 0.00 H new ATOM 0 HG2 GLU B 55 13.642 -27.950 -6.961 1.00 0.00 H new ATOM 0 HG3 GLU B 55 14.215 -29.192 -8.056 1.00 0.00 H new ATOM 1678 N GLU B 56 11.818 -27.651 -7.521 1.00 0.00 N ATOM 1679 CA GLU B 56 10.788 -27.452 -6.508 1.00 0.00 C ATOM 1680 C GLU B 56 11.116 -26.250 -5.629 1.00 0.00 C ATOM 1681 O GLU B 56 10.239 -25.446 -5.308 1.00 0.00 O ATOM 1682 CB GLU B 56 10.646 -28.706 -5.644 1.00 0.00 C ATOM 1683 CG GLU B 56 11.919 -29.088 -4.908 1.00 0.00 C ATOM 1684 CD GLU B 56 11.751 -30.332 -4.058 1.00 0.00 C ATOM 1685 OE1 GLU B 56 10.624 -30.571 -3.575 1.00 0.00 O ATOM 1686 OE2 GLU B 56 12.745 -31.064 -3.873 1.00 0.00 O ATOM 0 H GLU B 56 12.435 -28.444 -7.345 1.00 0.00 H new ATOM 0 HA GLU B 56 9.844 -27.260 -7.017 1.00 0.00 H new ATOM 0 HB2 GLU B 56 9.850 -28.547 -4.916 1.00 0.00 H new ATOM 0 HB3 GLU B 56 10.338 -29.539 -6.276 1.00 0.00 H new ATOM 0 HG2 GLU B 56 12.717 -29.252 -5.632 1.00 0.00 H new ATOM 0 HG3 GLU B 56 12.230 -28.258 -4.273 1.00 0.00 H new ATOM 1693 N GLU B 57 12.382 -26.130 -5.245 1.00 0.00 N ATOM 1694 CA GLU B 57 12.826 -25.024 -4.405 1.00 0.00 C ATOM 1695 C GLU B 57 13.806 -24.129 -5.156 1.00 0.00 C ATOM 1696 O GLU B 57 14.956 -23.971 -4.747 1.00 0.00 O ATOM 1697 CB GLU B 57 13.478 -25.556 -3.127 1.00 0.00 C ATOM 1698 CG GLU B 57 14.693 -26.432 -3.385 1.00 0.00 C ATOM 1699 CD GLU B 57 15.322 -26.946 -2.105 1.00 0.00 C ATOM 1700 OE1 GLU B 57 15.233 -26.244 -1.076 1.00 0.00 O ATOM 1701 OE2 GLU B 57 15.904 -28.051 -2.131 1.00 0.00 O ATOM 0 H GLU B 57 13.120 -26.786 -5.502 1.00 0.00 H new ATOM 0 HA GLU B 57 11.952 -24.430 -4.138 1.00 0.00 H new ATOM 0 HB2 GLU B 57 13.774 -24.714 -2.502 1.00 0.00 H new ATOM 0 HB3 GLU B 57 12.741 -26.128 -2.564 1.00 0.00 H new ATOM 0 HG2 GLU B 57 14.401 -27.278 -4.007 1.00 0.00 H new ATOM 0 HG3 GLU B 57 15.434 -25.863 -3.947 1.00 0.00 H new ATOM 1708 N CYS B 58 13.343 -23.547 -6.257 1.00 0.00 N ATOM 1709 CA CYS B 58 14.181 -22.668 -7.066 1.00 0.00 C ATOM 1710 C CYS B 58 13.335 -21.863 -8.047 1.00 0.00 C ATOM 1711 O CYS B 58 13.781 -21.543 -9.149 1.00 0.00 O ATOM 1712 CB CYS B 58 15.228 -23.484 -7.826 1.00 0.00 C ATOM 1713 SG CYS B 58 16.332 -22.484 -8.875 1.00 0.00 S ATOM 0 H CYS B 58 12.394 -23.667 -6.610 1.00 0.00 H new ATOM 0 HA CYS B 58 14.689 -21.973 -6.397 1.00 0.00 H new ATOM 0 HB2 CYS B 58 15.831 -24.040 -7.108 1.00 0.00 H new ATOM 0 HB3 CYS B 58 14.718 -24.218 -8.450 1.00 0.00 H new ATOM 1718 N GLU B 59 12.113 -21.540 -7.640 1.00 0.00 N ATOM 1719 CA GLU B 59 11.204 -20.772 -8.484 1.00 0.00 C ATOM 1720 C GLU B 59 10.983 -19.374 -7.916 1.00 0.00 C ATOM 1721 O GLU B 59 11.250 -19.121 -6.741 1.00 0.00 O ATOM 1722 CB GLU B 59 9.865 -21.499 -8.618 1.00 0.00 C ATOM 1723 CG GLU B 59 9.156 -21.717 -7.290 1.00 0.00 C ATOM 1724 CD GLU B 59 7.831 -22.435 -7.448 1.00 0.00 C ATOM 1725 OE1 GLU B 59 7.821 -23.683 -7.397 1.00 0.00 O ATOM 1726 OE2 GLU B 59 6.801 -21.750 -7.623 1.00 0.00 O ATOM 0 H GLU B 59 11.728 -21.798 -6.731 1.00 0.00 H new ATOM 0 HA GLU B 59 11.658 -20.675 -9.470 1.00 0.00 H new ATOM 0 HB2 GLU B 59 9.214 -20.926 -9.278 1.00 0.00 H new ATOM 0 HB3 GLU B 59 10.031 -22.465 -9.095 1.00 0.00 H new ATOM 0 HG2 GLU B 59 9.801 -22.295 -6.628 1.00 0.00 H new ATOM 0 HG3 GLU B 59 8.988 -20.753 -6.810 1.00 0.00 H new ATOM 1733 N PHE B 60 10.495 -18.470 -8.758 1.00 0.00 N ATOM 1734 CA PHE B 60 10.237 -17.097 -8.341 1.00 0.00 C ATOM 1735 C PHE B 60 8.738 -16.829 -8.247 1.00 0.00 C ATOM 1736 O PHE B 60 8.166 -17.045 -7.158 1.00 0.00 O ATOM 1737 CB PHE B 60 10.882 -16.114 -9.319 1.00 0.00 C ATOM 1738 CG PHE B 60 12.373 -16.264 -9.424 1.00 0.00 C ATOM 1739 CD1 PHE B 60 12.931 -17.156 -10.326 1.00 0.00 C ATOM 1740 CD2 PHE B 60 13.217 -15.513 -8.621 1.00 0.00 C ATOM 1741 CE1 PHE B 60 14.303 -17.297 -10.424 1.00 0.00 C ATOM 1742 CE2 PHE B 60 14.589 -15.649 -8.715 1.00 0.00 C ATOM 1743 CZ PHE B 60 15.133 -16.543 -9.618 1.00 0.00 C ATOM 1744 OXT PHE B 60 8.150 -16.403 -9.263 1.00 0.00 O ATOM 0 H PHE B 60 10.270 -18.663 -9.734 1.00 0.00 H new ATOM 0 HA PHE B 60 10.676 -16.956 -7.353 1.00 0.00 H new ATOM 0 HB2 PHE B 60 10.440 -16.253 -10.306 1.00 0.00 H new ATOM 0 HB3 PHE B 60 10.648 -15.096 -9.006 1.00 0.00 H new ATOM 0 HD1 PHE B 60 12.287 -17.748 -10.960 1.00 0.00 H new ATOM 0 HD2 PHE B 60 12.797 -14.813 -7.913 1.00 0.00 H new ATOM 0 HE1 PHE B 60 14.725 -17.996 -11.130 1.00 0.00 H new ATOM 0 HE2 PHE B 60 15.235 -15.057 -8.084 1.00 0.00 H new ATOM 0 HZ PHE B 60 16.205 -16.652 -9.693 1.00 0.00 H new TER 1754 PHE B 60