USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 785 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 11 LYS NZ :NH3+ -136:sc= -0.422 (180deg=-2.81!) USER MOD Set 1.2: A 79 TYR OH : rot 30:sc= 0.00159 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= -0.374 USER MOD Single : A 20 HIS :FLIP no HD1:sc= -0.933 F(o=-2,f=-0.93) USER MOD Single : A 23 SER OG : rot 180:sc= -0.0601 USER MOD Single : A 24 MET CE :methyl -133:sc= -0.0042 (180deg=-0.154) USER MOD Single : A 29 GLN : amide:sc= -1.72 K(o=-1.7,f=-2.4!) USER MOD Single : A 31 TYR OH : rot 180:sc= -0.958 USER MOD Single : A 32 MET CE :methyl -149:sc= 0 (180deg=-0.0135) USER MOD Single : A 40 THR OG1 : rot -170:sc= -2.06! USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 45 GLN : amide:sc= -0.334 K(o=-0.33,f=-2.9) USER MOD Single : A 48 TYR OH : rot -96:sc= 0.0668 USER MOD Single : A 51 SER OG : rot -120:sc= -1.07 USER MOD Single : A 52 LYS NZ :NH3+ -165:sc=-0.00399 (180deg=-0.0793) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= -1 USER MOD Single : A 66 GLN : amide:sc= -0.323 K(o=-0.32,f=-1.6!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 155:sc= 0.00288 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.281 X(o=-0.28,f=-0.037) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -150:sc= -0.356 (180deg=-1.44!) USER MOD Single : A 100 THR OG1 : rot 180:sc= -1.06 USER MOD Single : A 102 LYS NZ :NH3+ 137:sc= -0.694 (180deg=-2.56!) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 8 -12.978 12.412 -5.274 1.00 0.00 N ATOM 2 CA ALA A 8 -12.054 12.792 -4.212 1.00 0.00 C ATOM 3 C ALA A 8 -10.951 11.752 -4.047 1.00 0.00 C ATOM 4 O ALA A 8 -10.883 10.780 -4.800 1.00 0.00 O ATOM 5 CB ALA A 8 -12.804 12.981 -2.903 1.00 0.00 C ATOM 0 HA ALA A 8 -11.588 13.737 -4.490 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.102 13.264 -2.119 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -13.551 13.766 -3.022 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.297 12.049 -2.628 1.00 0.00 H new ATOM 11 N ASP A 9 -10.088 11.963 -3.059 1.00 0.00 N ATOM 12 CA ASP A 9 -8.988 11.042 -2.796 1.00 0.00 C ATOM 13 C ASP A 9 -8.844 10.776 -1.302 1.00 0.00 C ATOM 14 O ASP A 9 -8.371 11.630 -0.552 1.00 0.00 O ATOM 15 CB ASP A 9 -7.679 11.604 -3.355 1.00 0.00 C ATOM 16 CG ASP A 9 -7.466 13.060 -2.983 1.00 0.00 C ATOM 17 OD1 ASP A 9 -8.203 13.564 -2.110 1.00 0.00 O ATOM 18 OD2 ASP A 9 -6.562 13.695 -3.565 1.00 0.00 O ATOM 0 H ASP A 9 -10.129 12.763 -2.428 1.00 0.00 H new ATOM 0 HA ASP A 9 -9.212 10.098 -3.293 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.844 11.011 -2.982 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.679 11.506 -4.441 1.00 0.00 H new ATOM 23 N ARG A 10 -9.255 9.585 -0.876 1.00 0.00 N ATOM 24 CA ARG A 10 -9.171 9.205 0.530 1.00 0.00 C ATOM 25 C ARG A 10 -8.464 7.864 0.688 1.00 0.00 C ATOM 26 O ARG A 10 -8.320 7.110 -0.275 1.00 0.00 O ATOM 27 CB ARG A 10 -10.570 9.136 1.145 1.00 0.00 C ATOM 28 CG ARG A 10 -11.382 10.408 0.955 1.00 0.00 C ATOM 29 CD ARG A 10 -12.730 10.122 0.312 1.00 0.00 C ATOM 30 NE ARG A 10 -13.686 11.204 0.539 1.00 0.00 N ATOM 31 CZ ARG A 10 -14.310 11.411 1.696 1.00 0.00 C ATOM 32 NH1 ARG A 10 -14.084 10.613 2.733 1.00 0.00 N ATOM 33 NH2 ARG A 10 -15.163 12.418 1.819 1.00 0.00 N ATOM 0 H ARG A 10 -9.649 8.867 -1.484 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.590 9.964 1.054 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -11.111 8.300 0.703 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -10.479 8.929 2.211 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.534 10.891 1.920 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -10.823 11.108 0.333 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -12.596 9.975 -0.760 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -13.133 9.192 0.713 1.00 0.00 H new ATOM 0 HE ARG A 10 -13.887 11.838 -0.235 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -13.429 9.836 2.645 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -14.565 10.777 3.617 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -15.342 13.035 1.027 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -15.641 12.576 2.706 1.00 0.00 H new ATOM 47 N LYS A 11 -8.019 7.571 1.906 1.00 0.00 N ATOM 48 CA LYS A 11 -7.323 6.319 2.185 1.00 0.00 C ATOM 49 C LYS A 11 -7.585 5.855 3.613 1.00 0.00 C ATOM 50 O LYS A 11 -7.639 6.664 4.537 1.00 0.00 O ATOM 51 CB LYS A 11 -5.819 6.492 1.958 1.00 0.00 C ATOM 52 CG LYS A 11 -5.007 5.236 2.236 1.00 0.00 C ATOM 53 CD LYS A 11 -3.611 5.573 2.737 1.00 0.00 C ATOM 54 CE LYS A 11 -2.552 5.270 1.688 1.00 0.00 C ATOM 55 NZ LYS A 11 -2.155 6.489 0.931 1.00 0.00 N ATOM 0 H LYS A 11 -8.128 8.183 2.715 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.704 5.558 1.503 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.650 6.802 0.927 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.455 7.297 2.596 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.523 4.625 2.977 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.934 4.640 1.326 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.565 6.628 3.007 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.401 5.003 3.642 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.674 4.841 2.172 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.932 4.520 0.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.098 6.265 -0.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.862 7.236 1.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.227 6.819 1.266 1.00 0.00 H new ATOM 69 N LEU A 12 -7.762 4.549 3.785 1.00 0.00 N ATOM 70 CA LEU A 12 -8.040 3.983 5.093 1.00 0.00 C ATOM 71 C LEU A 12 -6.784 3.645 5.852 1.00 0.00 C ATOM 72 O LEU A 12 -5.800 3.147 5.305 1.00 0.00 O ATOM 73 CB LEU A 12 -8.901 2.745 4.945 1.00 0.00 C ATOM 74 CG LEU A 12 -10.308 3.086 4.514 1.00 0.00 C ATOM 75 CD1 LEU A 12 -10.625 2.488 3.151 1.00 0.00 C ATOM 76 CD2 LEU A 12 -11.324 2.641 5.556 1.00 0.00 C ATOM 0 H LEU A 12 -7.717 3.864 3.031 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.572 4.741 5.668 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.450 2.074 4.214 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.932 2.209 5.893 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.374 4.170 4.425 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.644 2.750 2.867 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.929 2.882 2.410 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.529 1.403 3.198 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.328 2.899 5.219 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.254 1.562 5.695 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.119 3.142 6.502 1.00 0.00 H new ATOM 88 N CYS A 13 -6.853 3.936 7.132 1.00 0.00 N ATOM 89 CA CYS A 13 -5.744 3.693 8.044 1.00 0.00 C ATOM 90 C CYS A 13 -6.253 3.176 9.385 1.00 0.00 C ATOM 91 O CYS A 13 -7.415 3.379 9.738 1.00 0.00 O ATOM 92 CB CYS A 13 -4.940 4.979 8.256 1.00 0.00 C ATOM 93 SG CYS A 13 -3.198 4.872 7.734 1.00 0.00 S ATOM 0 H CYS A 13 -7.675 4.347 7.575 1.00 0.00 H new ATOM 0 HA CYS A 13 -5.097 2.936 7.600 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.422 5.789 7.708 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.974 5.245 9.313 1.00 0.00 H new ATOM 98 N ALA A 14 -5.374 2.520 10.130 1.00 0.00 N ATOM 99 CA ALA A 14 -5.729 1.986 11.437 1.00 0.00 C ATOM 100 C ALA A 14 -6.011 3.116 12.421 1.00 0.00 C ATOM 101 O ALA A 14 -5.211 3.389 13.317 1.00 0.00 O ATOM 102 CB ALA A 14 -4.619 1.082 11.955 1.00 0.00 C ATOM 0 H ALA A 14 -4.409 2.345 9.851 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.638 1.393 11.336 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.897 0.689 12.933 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.469 0.255 11.261 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.695 1.654 12.043 1.00 0.00 H new ATOM 108 N ASP A 15 -7.150 3.778 12.241 1.00 0.00 N ATOM 109 CA ASP A 15 -7.539 4.888 13.106 1.00 0.00 C ATOM 110 C ASP A 15 -6.635 6.094 12.870 1.00 0.00 C ATOM 111 O ASP A 15 -5.757 6.064 12.008 1.00 0.00 O ATOM 112 CB ASP A 15 -7.488 4.467 14.578 1.00 0.00 C ATOM 113 CG ASP A 15 -8.859 4.460 15.224 1.00 0.00 C ATOM 114 OD1 ASP A 15 -9.712 5.276 14.817 1.00 0.00 O ATOM 115 OD2 ASP A 15 -9.080 3.639 16.139 1.00 0.00 O ATOM 0 H ASP A 15 -7.821 3.565 11.503 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.563 5.169 12.861 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.048 3.472 14.654 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.835 5.147 15.125 1.00 0.00 H new ATOM 120 N GLN A 16 -6.854 7.154 13.640 1.00 0.00 N ATOM 121 CA GLN A 16 -6.059 8.371 13.512 1.00 0.00 C ATOM 122 C GLN A 16 -4.570 8.073 13.671 1.00 0.00 C ATOM 123 O GLN A 16 -3.727 8.749 13.083 1.00 0.00 O ATOM 124 CB GLN A 16 -6.499 9.404 14.553 1.00 0.00 C ATOM 125 CG GLN A 16 -7.542 10.381 14.036 1.00 0.00 C ATOM 126 CD GLN A 16 -7.723 11.577 14.949 1.00 0.00 C ATOM 127 OE1 GLN A 16 -6.817 12.395 15.110 1.00 0.00 O ATOM 128 NE2 GLN A 16 -8.900 11.685 15.555 1.00 0.00 N ATOM 0 H GLN A 16 -7.576 7.196 14.360 1.00 0.00 H new ATOM 0 HA GLN A 16 -6.223 8.777 12.514 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.900 8.883 15.423 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.626 9.962 14.891 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.251 10.727 13.044 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -8.496 9.865 13.926 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -9.623 10.984 15.393 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.081 12.469 16.182 1.00 0.00 H new ATOM 137 N GLU A 17 -4.256 7.060 14.472 1.00 0.00 N ATOM 138 CA GLU A 17 -2.873 6.675 14.711 1.00 0.00 C ATOM 139 C GLU A 17 -2.288 5.944 13.505 1.00 0.00 C ATOM 140 O GLU A 17 -1.302 6.387 12.917 1.00 0.00 O ATOM 141 CB GLU A 17 -2.778 5.791 15.958 1.00 0.00 C ATOM 142 CG GLU A 17 -2.056 6.454 17.119 1.00 0.00 C ATOM 143 CD GLU A 17 -0.693 5.845 17.385 1.00 0.00 C ATOM 144 OE1 GLU A 17 0.285 6.271 16.735 1.00 0.00 O ATOM 145 OE2 GLU A 17 -0.603 4.944 18.245 1.00 0.00 O ATOM 0 H GLU A 17 -4.943 6.491 14.967 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.293 7.584 14.872 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.784 5.516 16.276 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.261 4.867 15.700 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.940 7.517 16.910 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.668 6.371 18.017 1.00 0.00 H new ATOM 152 N CYS A 18 -2.898 4.819 13.147 1.00 0.00 N ATOM 153 CA CYS A 18 -2.435 4.021 12.016 1.00 0.00 C ATOM 154 C CYS A 18 -0.989 3.581 12.221 1.00 0.00 C ATOM 155 O CYS A 18 -0.236 3.423 11.260 1.00 0.00 O ATOM 156 CB CYS A 18 -2.559 4.811 10.711 1.00 0.00 C ATOM 157 SG CYS A 18 -2.302 3.805 9.212 1.00 0.00 S ATOM 0 H CYS A 18 -3.715 4.438 13.624 1.00 0.00 H new ATOM 0 HA CYS A 18 -3.065 3.134 11.951 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -3.548 5.267 10.666 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -1.834 5.624 10.720 1.00 0.00 H new ATOM 162 N SER A 19 -0.608 3.386 13.480 1.00 0.00 N ATOM 163 CA SER A 19 0.748 2.965 13.811 1.00 0.00 C ATOM 164 C SER A 19 1.013 1.545 13.319 1.00 0.00 C ATOM 165 O SER A 19 2.008 1.288 12.643 1.00 0.00 O ATOM 166 CB SER A 19 0.976 3.045 15.321 1.00 0.00 C ATOM 167 OG SER A 19 0.368 1.952 15.989 1.00 0.00 O ATOM 0 H SER A 19 -1.219 3.513 14.287 1.00 0.00 H new ATOM 0 HA SER A 19 1.443 3.639 13.310 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.046 3.053 15.530 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.569 3.981 15.704 1.00 0.00 H new ATOM 0 HG SER A 19 0.530 2.026 16.953 1.00 0.00 H new ATOM 173 N HIS A 20 0.115 0.627 13.663 1.00 0.00 N ATOM 174 CA HIS A 20 0.253 -0.765 13.253 1.00 0.00 C ATOM 175 C HIS A 20 -0.220 -0.955 11.813 1.00 0.00 C ATOM 176 O HIS A 20 -1.070 -0.207 11.328 1.00 0.00 O ATOM 177 CB HIS A 20 -0.540 -1.678 14.194 1.00 0.00 C ATOM 178 CG HIS A 20 0.325 -2.543 15.058 1.00 0.00 C ATOM 179 ND1 HIS A 20 1.648 -2.827 14.988 1.00 0.00 N flip ATOM 180 CD2 HIS A 20 -0.155 -3.236 16.151 1.00 0.00 C flip ATOM 181 CE1 HIS A 20 1.938 -3.675 16.028 1.00 0.00 C flip ATOM 182 NE2 HIS A 20 0.835 -3.906 16.713 1.00 0.00 N flip ATOM 0 H HIS A 20 -0.714 0.822 14.224 1.00 0.00 H new ATOM 0 HA HIS A 20 1.308 -1.034 13.307 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -1.177 -1.064 14.831 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.198 -2.313 13.601 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.179 -3.231 16.493 1.00 0.00 H new ATOM 0 HE1 HIS A 20 2.912 -4.086 16.249 1.00 0.00 H new ATOM 0 HE2 HIS A 20 0.759 -4.502 17.538 1.00 0.00 H new ATOM 191 N PRO A 21 0.328 -1.959 11.107 1.00 0.00 N ATOM 192 CA PRO A 21 -0.042 -2.240 9.716 1.00 0.00 C ATOM 193 C PRO A 21 -1.470 -2.759 9.587 1.00 0.00 C ATOM 194 O PRO A 21 -2.152 -2.986 10.586 1.00 0.00 O ATOM 195 CB PRO A 21 0.958 -3.318 9.290 1.00 0.00 C ATOM 196 CG PRO A 21 1.374 -3.974 10.561 1.00 0.00 C ATOM 197 CD PRO A 21 1.348 -2.897 11.609 1.00 0.00 C ATOM 0 HA PRO A 21 -0.009 -1.342 9.099 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.501 -4.034 8.607 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.812 -2.883 8.771 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.697 -4.788 10.820 1.00 0.00 H new ATOM 0 HG3 PRO A 21 2.371 -4.406 10.470 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.081 -3.295 12.588 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.320 -2.415 11.715 1.00 0.00 H new ATOM 205 N ILE A 22 -1.915 -2.945 8.349 1.00 0.00 N ATOM 206 CA ILE A 22 -3.260 -3.437 8.085 1.00 0.00 C ATOM 207 C ILE A 22 -3.312 -4.956 8.171 1.00 0.00 C ATOM 208 O ILE A 22 -4.207 -5.531 8.788 1.00 0.00 O ATOM 209 CB ILE A 22 -3.761 -2.985 6.686 1.00 0.00 C ATOM 210 CG1 ILE A 22 -5.204 -2.487 6.776 1.00 0.00 C ATOM 211 CG2 ILE A 22 -3.649 -4.109 5.651 1.00 0.00 C ATOM 212 CD1 ILE A 22 -5.325 -1.082 7.327 1.00 0.00 C ATOM 0 H ILE A 22 -1.362 -2.762 7.512 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.912 -3.012 8.848 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.120 -2.168 6.354 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.654 -2.519 5.784 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.776 -3.167 7.408 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.009 -3.752 4.686 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -2.607 -4.416 5.558 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.251 -4.960 5.971 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.376 -0.794 7.363 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.905 -1.048 8.332 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.781 -0.391 6.683 1.00 0.00 H new ATOM 224 N SER A 23 -2.359 -5.598 7.517 1.00 0.00 N ATOM 225 CA SER A 23 -2.309 -7.044 7.485 1.00 0.00 C ATOM 226 C SER A 23 -1.054 -7.525 6.782 1.00 0.00 C ATOM 227 O SER A 23 -0.135 -6.752 6.513 1.00 0.00 O ATOM 228 CB SER A 23 -3.549 -7.580 6.762 1.00 0.00 C ATOM 229 OG SER A 23 -3.511 -7.262 5.382 1.00 0.00 O ATOM 0 H SER A 23 -1.610 -5.137 7.001 1.00 0.00 H new ATOM 0 HA SER A 23 -2.291 -7.417 8.509 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.608 -8.661 6.888 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.447 -7.157 7.211 1.00 0.00 H new ATOM 0 HG SER A 23 -4.312 -7.616 4.942 1.00 0.00 H new ATOM 235 N MET A 24 -1.035 -8.808 6.487 1.00 0.00 N ATOM 236 CA MET A 24 0.097 -9.426 5.804 1.00 0.00 C ATOM 237 C MET A 24 -0.361 -10.155 4.548 1.00 0.00 C ATOM 238 O MET A 24 -1.387 -10.833 4.553 1.00 0.00 O ATOM 239 CB MET A 24 0.816 -10.400 6.736 1.00 0.00 C ATOM 240 CG MET A 24 2.165 -10.862 6.208 1.00 0.00 C ATOM 241 SD MET A 24 2.640 -12.482 6.842 1.00 0.00 S ATOM 242 CE MET A 24 1.565 -13.549 5.886 1.00 0.00 C ATOM 0 H MET A 24 -1.794 -9.453 6.709 1.00 0.00 H new ATOM 0 HA MET A 24 0.789 -8.635 5.515 1.00 0.00 H new ATOM 0 HB2 MET A 24 0.958 -9.924 7.706 1.00 0.00 H new ATOM 0 HB3 MET A 24 0.181 -11.271 6.898 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.132 -10.898 5.119 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.927 -10.132 6.480 1.00 0.00 H new ATOM 0 HE1 MET A 24 1.088 -14.272 6.548 1.00 0.00 H new ATOM 0 HE2 MET A 24 0.800 -12.948 5.394 1.00 0.00 H new ATOM 0 HE3 MET A 24 2.151 -14.077 5.134 1.00 0.00 H new ATOM 252 N ALA A 25 0.405 -10.013 3.471 1.00 0.00 N ATOM 253 CA ALA A 25 0.067 -10.666 2.213 1.00 0.00 C ATOM 254 C ALA A 25 1.309 -11.042 1.423 1.00 0.00 C ATOM 255 O ALA A 25 2.219 -10.233 1.248 1.00 0.00 O ATOM 256 CB ALA A 25 -0.843 -9.775 1.382 1.00 0.00 C ATOM 0 H ALA A 25 1.258 -9.455 3.444 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.462 -11.589 2.451 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.087 -10.276 0.445 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.760 -9.575 1.936 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.335 -8.834 1.169 1.00 0.00 H new ATOM 262 N VAL A 26 1.337 -12.281 0.952 1.00 0.00 N ATOM 263 CA VAL A 26 2.463 -12.783 0.179 1.00 0.00 C ATOM 264 C VAL A 26 2.279 -12.519 -1.310 1.00 0.00 C ATOM 265 O VAL A 26 1.183 -12.212 -1.769 1.00 0.00 O ATOM 266 CB VAL A 26 2.656 -14.293 0.408 1.00 0.00 C ATOM 267 CG1 VAL A 26 1.491 -15.086 -0.166 1.00 0.00 C ATOM 268 CG2 VAL A 26 3.977 -14.767 -0.179 1.00 0.00 C ATOM 0 H VAL A 26 0.589 -12.959 1.093 1.00 0.00 H new ATOM 0 HA VAL A 26 3.350 -12.250 0.522 1.00 0.00 H new ATOM 0 HB VAL A 26 2.683 -14.468 1.484 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.653 -16.149 0.010 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.565 -14.775 0.319 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.419 -14.902 -1.238 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.090 -15.837 -0.004 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.990 -14.571 -1.251 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.799 -14.233 0.297 1.00 0.00 H new ATOM 278 N ALA A 27 3.366 -12.648 -2.055 1.00 0.00 N ATOM 279 CA ALA A 27 3.343 -12.430 -3.495 1.00 0.00 C ATOM 280 C ALA A 27 2.824 -13.664 -4.224 1.00 0.00 C ATOM 281 O ALA A 27 3.392 -14.751 -4.110 1.00 0.00 O ATOM 282 CB ALA A 27 4.731 -12.064 -3.995 1.00 0.00 C ATOM 0 H ALA A 27 4.281 -12.904 -1.684 1.00 0.00 H new ATOM 0 HA ALA A 27 2.665 -11.602 -3.704 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.699 -11.904 -5.073 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.066 -11.151 -3.502 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.424 -12.874 -3.769 1.00 0.00 H new ATOM 288 N LEU A 28 1.741 -13.489 -4.972 1.00 0.00 N ATOM 289 CA LEU A 28 1.142 -14.588 -5.720 1.00 0.00 C ATOM 290 C LEU A 28 1.872 -14.826 -7.041 1.00 0.00 C ATOM 291 O LEU A 28 1.559 -15.771 -7.765 1.00 0.00 O ATOM 292 CB LEU A 28 -0.337 -14.301 -5.988 1.00 0.00 C ATOM 293 CG LEU A 28 -1.216 -15.539 -6.171 1.00 0.00 C ATOM 294 CD1 LEU A 28 -1.727 -16.035 -4.827 1.00 0.00 C ATOM 295 CD2 LEU A 28 -2.378 -15.233 -7.105 1.00 0.00 C ATOM 0 H LEU A 28 1.259 -12.596 -5.077 1.00 0.00 H new ATOM 0 HA LEU A 28 1.232 -15.490 -5.115 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.733 -13.713 -5.160 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.415 -13.684 -6.883 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.612 -16.327 -6.620 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.350 -16.916 -4.978 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.882 -16.293 -4.189 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.316 -15.251 -4.350 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.993 -16.125 -7.224 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.982 -14.429 -6.684 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.992 -14.926 -8.077 1.00 0.00 H new ATOM 307 N GLN A 29 2.851 -13.971 -7.347 1.00 0.00 N ATOM 308 CA GLN A 29 3.630 -14.088 -8.572 1.00 0.00 C ATOM 309 C GLN A 29 4.436 -12.820 -8.825 1.00 0.00 C ATOM 310 O GLN A 29 4.307 -11.830 -8.104 1.00 0.00 O ATOM 311 CB GLN A 29 2.729 -14.370 -9.778 1.00 0.00 C ATOM 312 CG GLN A 29 1.532 -13.438 -9.874 1.00 0.00 C ATOM 313 CD GLN A 29 0.214 -14.184 -9.945 1.00 0.00 C ATOM 314 OE1 GLN A 29 0.173 -15.366 -10.287 1.00 0.00 O ATOM 315 NE2 GLN A 29 -0.874 -13.495 -9.624 1.00 0.00 N ATOM 0 H GLN A 29 3.121 -13.186 -6.755 1.00 0.00 H new ATOM 0 HA GLN A 29 4.314 -14.927 -8.443 1.00 0.00 H new ATOM 0 HB2 GLN A 29 3.320 -14.285 -10.690 1.00 0.00 H new ATOM 0 HB3 GLN A 29 2.374 -15.399 -9.723 1.00 0.00 H new ATOM 0 HG2 GLN A 29 1.523 -12.774 -9.009 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.637 -12.809 -10.758 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -0.795 -12.517 -9.346 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.789 -13.944 -9.655 1.00 0.00 H new ATOM 324 N ASP A 30 5.268 -12.862 -9.859 1.00 0.00 N ATOM 325 CA ASP A 30 6.100 -11.720 -10.220 1.00 0.00 C ATOM 326 C ASP A 30 5.255 -10.615 -10.845 1.00 0.00 C ATOM 327 O ASP A 30 4.315 -10.888 -11.591 1.00 0.00 O ATOM 328 CB ASP A 30 7.200 -12.150 -11.192 1.00 0.00 C ATOM 329 CG ASP A 30 8.176 -11.029 -11.492 1.00 0.00 C ATOM 330 OD1 ASP A 30 8.571 -10.316 -10.545 1.00 0.00 O ATOM 331 OD2 ASP A 30 8.544 -10.862 -12.673 1.00 0.00 O ATOM 0 H ASP A 30 5.385 -13.676 -10.463 1.00 0.00 H new ATOM 0 HA ASP A 30 6.562 -11.333 -9.312 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.742 -12.997 -10.772 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.746 -12.492 -12.122 1.00 0.00 H new ATOM 336 N TYR A 31 5.591 -9.368 -10.532 1.00 0.00 N ATOM 337 CA TYR A 31 4.854 -8.228 -11.064 1.00 0.00 C ATOM 338 C TYR A 31 5.679 -6.945 -10.956 1.00 0.00 C ATOM 339 O TYR A 31 5.657 -6.265 -9.929 1.00 0.00 O ATOM 340 CB TYR A 31 3.523 -8.077 -10.318 1.00 0.00 C ATOM 341 CG TYR A 31 2.845 -6.739 -10.517 1.00 0.00 C ATOM 342 CD1 TYR A 31 2.114 -6.469 -11.668 1.00 0.00 C ATOM 343 CD2 TYR A 31 2.935 -5.748 -9.549 1.00 0.00 C ATOM 344 CE1 TYR A 31 1.493 -5.248 -11.847 1.00 0.00 C ATOM 345 CE2 TYR A 31 2.317 -4.525 -9.721 1.00 0.00 C ATOM 346 CZ TYR A 31 1.597 -4.279 -10.871 1.00 0.00 C ATOM 347 OH TYR A 31 0.979 -3.062 -11.045 1.00 0.00 O ATOM 0 H TYR A 31 6.365 -9.122 -9.915 1.00 0.00 H new ATOM 0 HA TYR A 31 4.651 -8.406 -12.120 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.846 -8.866 -10.644 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.698 -8.227 -9.253 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.030 -7.225 -12.434 1.00 0.00 H new ATOM 0 HD2 TYR A 31 3.498 -5.937 -8.647 1.00 0.00 H new ATOM 0 HE1 TYR A 31 0.929 -5.053 -12.747 1.00 0.00 H new ATOM 0 HE2 TYR A 31 2.397 -3.765 -8.958 1.00 0.00 H new ATOM 0 HH TYR A 31 1.150 -2.494 -10.265 1.00 0.00 H new ATOM 357 N MET A 32 6.408 -6.627 -12.021 1.00 0.00 N ATOM 358 CA MET A 32 7.239 -5.447 -12.054 1.00 0.00 C ATOM 359 C MET A 32 6.398 -4.177 -11.988 1.00 0.00 C ATOM 360 O MET A 32 5.785 -3.777 -12.977 1.00 0.00 O ATOM 361 CB MET A 32 8.097 -5.439 -13.321 1.00 0.00 C ATOM 362 CG MET A 32 9.508 -4.917 -13.097 1.00 0.00 C ATOM 363 SD MET A 32 10.703 -6.239 -12.827 1.00 0.00 S ATOM 364 CE MET A 32 10.937 -6.832 -14.501 1.00 0.00 C ATOM 0 H MET A 32 6.434 -7.182 -12.877 1.00 0.00 H new ATOM 0 HA MET A 32 7.889 -5.471 -11.180 1.00 0.00 H new ATOM 0 HB2 MET A 32 8.152 -6.452 -13.719 1.00 0.00 H new ATOM 0 HB3 MET A 32 7.607 -4.826 -14.078 1.00 0.00 H new ATOM 0 HG2 MET A 32 9.814 -4.327 -13.961 1.00 0.00 H new ATOM 0 HG3 MET A 32 9.511 -4.248 -12.236 1.00 0.00 H new ATOM 0 HE1 MET A 32 11.161 -7.899 -14.481 1.00 0.00 H new ATOM 0 HE2 MET A 32 10.028 -6.663 -15.077 1.00 0.00 H new ATOM 0 HE3 MET A 32 11.765 -6.296 -14.964 1.00 0.00 H new ATOM 374 N ALA A 33 6.368 -3.556 -10.809 1.00 0.00 N ATOM 375 CA ALA A 33 5.602 -2.340 -10.585 1.00 0.00 C ATOM 376 C ALA A 33 5.663 -1.393 -11.786 1.00 0.00 C ATOM 377 O ALA A 33 6.637 -0.660 -11.958 1.00 0.00 O ATOM 378 CB ALA A 33 6.103 -1.633 -9.335 1.00 0.00 C ATOM 0 H ALA A 33 6.874 -3.884 -9.987 1.00 0.00 H new ATOM 0 HA ALA A 33 4.560 -2.628 -10.449 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.524 -0.723 -9.175 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.990 -2.292 -8.474 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.155 -1.376 -9.459 1.00 0.00 H new ATOM 384 N PRO A 34 4.620 -1.396 -12.634 1.00 0.00 N ATOM 385 CA PRO A 34 4.562 -0.536 -13.816 1.00 0.00 C ATOM 386 C PRO A 34 4.127 0.886 -13.478 1.00 0.00 C ATOM 387 O PRO A 34 3.152 1.397 -14.029 1.00 0.00 O ATOM 388 CB PRO A 34 3.512 -1.225 -14.684 1.00 0.00 C ATOM 389 CG PRO A 34 2.580 -1.857 -13.709 1.00 0.00 C ATOM 390 CD PRO A 34 3.411 -2.238 -12.509 1.00 0.00 C ATOM 0 HA PRO A 34 5.534 -0.425 -14.296 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.994 -0.510 -15.323 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.965 -1.969 -15.340 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.786 -1.166 -13.427 1.00 0.00 H new ATOM 0 HG3 PRO A 34 2.100 -2.734 -14.143 1.00 0.00 H new ATOM 0 HD2 PRO A 34 2.881 -2.041 -11.577 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.660 -3.299 -12.516 1.00 0.00 H new ATOM 398 N ASP A 35 4.856 1.521 -12.566 1.00 0.00 N ATOM 399 CA ASP A 35 4.544 2.884 -12.154 1.00 0.00 C ATOM 400 C ASP A 35 5.809 3.638 -11.757 1.00 0.00 C ATOM 401 O ASP A 35 6.209 3.629 -10.593 1.00 0.00 O ATOM 402 CB ASP A 35 3.556 2.871 -10.986 1.00 0.00 C ATOM 403 CG ASP A 35 2.698 4.120 -10.940 1.00 0.00 C ATOM 404 OD1 ASP A 35 3.257 5.229 -11.068 1.00 0.00 O ATOM 405 OD2 ASP A 35 1.467 3.988 -10.777 1.00 0.00 O ATOM 0 H ASP A 35 5.666 1.114 -12.099 1.00 0.00 H new ATOM 0 HA ASP A 35 4.089 3.398 -13.001 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.913 1.995 -11.068 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.106 2.777 -10.050 1.00 0.00 H new ATOM 410 N CYS A 36 6.432 4.291 -12.733 1.00 0.00 N ATOM 411 CA CYS A 36 7.652 5.053 -12.489 1.00 0.00 C ATOM 412 C CYS A 36 8.791 4.139 -12.050 1.00 0.00 C ATOM 413 O CYS A 36 9.665 3.793 -12.847 1.00 0.00 O ATOM 414 CB CYS A 36 7.405 6.132 -11.432 1.00 0.00 C ATOM 415 SG CYS A 36 7.012 7.772 -12.121 1.00 0.00 S ATOM 0 H CYS A 36 6.112 4.308 -13.701 1.00 0.00 H new ATOM 0 HA CYS A 36 7.941 5.533 -13.424 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.585 5.814 -10.789 1.00 0.00 H new ATOM 0 HB3 CYS A 36 8.290 6.217 -10.802 1.00 0.00 H new ATOM 420 N ARG A 37 8.780 3.751 -10.778 1.00 0.00 N ATOM 421 CA ARG A 37 9.814 2.879 -10.235 1.00 0.00 C ATOM 422 C ARG A 37 9.468 2.437 -8.815 1.00 0.00 C ATOM 423 O ARG A 37 10.298 2.512 -7.909 1.00 0.00 O ATOM 424 CB ARG A 37 11.166 3.596 -10.251 1.00 0.00 C ATOM 425 CG ARG A 37 12.292 2.753 -10.825 1.00 0.00 C ATOM 426 CD ARG A 37 13.649 3.217 -10.320 1.00 0.00 C ATOM 427 NE ARG A 37 13.837 2.918 -8.903 1.00 0.00 N ATOM 428 CZ ARG A 37 14.735 3.524 -8.129 1.00 0.00 C ATOM 429 NH1 ARG A 37 15.531 4.461 -8.631 1.00 0.00 N ATOM 430 NH2 ARG A 37 14.839 3.193 -6.849 1.00 0.00 N ATOM 0 H ARG A 37 8.066 4.027 -10.105 1.00 0.00 H new ATOM 0 HA ARG A 37 9.874 1.989 -10.861 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.075 4.513 -10.834 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.425 3.890 -9.234 1.00 0.00 H new ATOM 0 HG2 ARG A 37 12.140 1.708 -10.554 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.270 2.807 -11.913 1.00 0.00 H new ATOM 0 HD2 ARG A 37 14.436 2.735 -10.900 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.748 4.291 -10.480 1.00 0.00 H new ATOM 0 HE ARG A 37 13.245 2.202 -8.481 1.00 0.00 H new ATOM 0 HH11 ARG A 37 15.456 4.720 -9.615 1.00 0.00 H new ATOM 0 HH12 ARG A 37 16.217 4.922 -8.033 1.00 0.00 H new ATOM 0 HH21 ARG A 37 14.231 2.474 -6.457 1.00 0.00 H new ATOM 0 HH22 ARG A 37 15.527 3.657 -6.256 1.00 0.00 H new ATOM 444 N PHE A 38 8.235 1.975 -8.627 1.00 0.00 N ATOM 445 CA PHE A 38 7.781 1.521 -7.318 1.00 0.00 C ATOM 446 C PHE A 38 8.371 0.155 -6.978 1.00 0.00 C ATOM 447 O PHE A 38 9.203 -0.373 -7.715 1.00 0.00 O ATOM 448 CB PHE A 38 6.252 1.455 -7.279 1.00 0.00 C ATOM 449 CG PHE A 38 5.617 2.647 -6.622 1.00 0.00 C ATOM 450 CD1 PHE A 38 5.609 2.773 -5.242 1.00 0.00 C ATOM 451 CD2 PHE A 38 5.027 3.642 -7.386 1.00 0.00 C ATOM 452 CE1 PHE A 38 5.025 3.868 -4.636 1.00 0.00 C ATOM 453 CE2 PHE A 38 4.441 4.739 -6.784 1.00 0.00 C ATOM 454 CZ PHE A 38 4.441 4.853 -5.408 1.00 0.00 C ATOM 0 H PHE A 38 7.534 1.906 -9.364 1.00 0.00 H new ATOM 0 HA PHE A 38 8.126 2.239 -6.574 1.00 0.00 H new ATOM 0 HB2 PHE A 38 5.874 1.367 -8.298 1.00 0.00 H new ATOM 0 HB3 PHE A 38 5.949 0.553 -6.748 1.00 0.00 H new ATOM 0 HD1 PHE A 38 6.065 2.006 -4.633 1.00 0.00 H new ATOM 0 HD2 PHE A 38 5.025 3.559 -8.463 1.00 0.00 H new ATOM 0 HE1 PHE A 38 5.025 3.954 -3.559 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.983 5.507 -7.390 1.00 0.00 H new ATOM 0 HZ PHE A 38 3.985 5.711 -4.936 1.00 0.00 H new ATOM 464 N LEU A 39 7.936 -0.410 -5.855 1.00 0.00 N ATOM 465 CA LEU A 39 8.422 -1.713 -5.417 1.00 0.00 C ATOM 466 C LEU A 39 7.685 -2.841 -6.134 1.00 0.00 C ATOM 467 O LEU A 39 6.478 -3.013 -5.966 1.00 0.00 O ATOM 468 CB LEU A 39 8.256 -1.859 -3.902 1.00 0.00 C ATOM 469 CG LEU A 39 9.442 -2.502 -3.179 1.00 0.00 C ATOM 470 CD1 LEU A 39 9.244 -2.440 -1.673 1.00 0.00 C ATOM 471 CD2 LEU A 39 9.628 -3.941 -3.636 1.00 0.00 C ATOM 0 H LEU A 39 7.248 0.015 -5.233 1.00 0.00 H new ATOM 0 HA LEU A 39 9.481 -1.781 -5.668 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.081 -0.872 -3.474 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.364 -2.454 -3.705 1.00 0.00 H new ATOM 0 HG LEU A 39 10.344 -1.943 -3.430 1.00 0.00 H new ATOM 0 HD11 LEU A 39 10.096 -2.902 -1.175 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.160 -1.399 -1.360 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.333 -2.975 -1.403 1.00 0.00 H new ATOM 0 HD21 LEU A 39 10.476 -4.383 -3.112 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.727 -4.512 -3.415 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.815 -3.960 -4.710 1.00 0.00 H new ATOM 483 N THR A 40 8.420 -3.604 -6.937 1.00 0.00 N ATOM 484 CA THR A 40 7.838 -4.714 -7.683 1.00 0.00 C ATOM 485 C THR A 40 7.535 -5.898 -6.771 1.00 0.00 C ATOM 486 O THR A 40 7.946 -5.925 -5.611 1.00 0.00 O ATOM 487 CB THR A 40 8.781 -5.155 -8.803 1.00 0.00 C ATOM 488 OG1 THR A 40 8.373 -6.403 -9.338 1.00 0.00 O ATOM 489 CG2 THR A 40 10.222 -5.298 -8.359 1.00 0.00 C ATOM 0 H THR A 40 9.420 -3.474 -7.088 1.00 0.00 H new ATOM 0 HA THR A 40 6.900 -4.365 -8.116 1.00 0.00 H new ATOM 0 HB THR A 40 8.727 -4.364 -9.551 1.00 0.00 H new ATOM 0 HG1 THR A 40 9.068 -6.745 -9.938 1.00 0.00 H new ATOM 0 HG21 THR A 40 10.834 -5.613 -9.204 1.00 0.00 H new ATOM 0 HG22 THR A 40 10.585 -4.340 -7.986 1.00 0.00 H new ATOM 0 HG23 THR A 40 10.286 -6.044 -7.567 1.00 0.00 H new ATOM 497 N ILE A 41 6.816 -6.876 -7.311 1.00 0.00 N ATOM 498 CA ILE A 41 6.457 -8.072 -6.560 1.00 0.00 C ATOM 499 C ILE A 41 7.098 -9.310 -7.181 1.00 0.00 C ATOM 500 O ILE A 41 7.195 -9.420 -8.404 1.00 0.00 O ATOM 501 CB ILE A 41 4.927 -8.262 -6.510 1.00 0.00 C ATOM 502 CG1 ILE A 41 4.251 -7.001 -5.968 1.00 0.00 C ATOM 503 CG2 ILE A 41 4.566 -9.472 -5.661 1.00 0.00 C ATOM 504 CD1 ILE A 41 4.549 -6.731 -4.509 1.00 0.00 C ATOM 0 H ILE A 41 6.469 -6.863 -8.270 1.00 0.00 H new ATOM 0 HA ILE A 41 6.829 -7.942 -5.544 1.00 0.00 H new ATOM 0 HB ILE A 41 4.567 -8.437 -7.524 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.572 -6.144 -6.560 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.173 -7.093 -6.099 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.483 -9.590 -5.638 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.019 -10.366 -6.090 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.937 -9.328 -4.646 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.036 -5.822 -4.195 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.202 -7.570 -3.906 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.623 -6.607 -4.374 1.00 0.00 H new ATOM 516 N HIS A 42 7.538 -10.236 -6.336 1.00 0.00 N ATOM 517 CA HIS A 42 8.174 -11.460 -6.813 1.00 0.00 C ATOM 518 C HIS A 42 7.639 -12.684 -6.075 1.00 0.00 C ATOM 519 O HIS A 42 7.332 -12.620 -4.886 1.00 0.00 O ATOM 520 CB HIS A 42 9.691 -11.371 -6.639 1.00 0.00 C ATOM 521 CG HIS A 42 10.462 -11.970 -7.774 1.00 0.00 C ATOM 522 ND1 HIS A 42 10.349 -13.294 -8.145 1.00 0.00 N ATOM 523 CD2 HIS A 42 11.360 -11.419 -8.626 1.00 0.00 C ATOM 524 CE1 HIS A 42 11.146 -13.531 -9.172 1.00 0.00 C ATOM 525 NE2 HIS A 42 11.769 -12.409 -9.483 1.00 0.00 N ATOM 0 H HIS A 42 7.467 -10.164 -5.321 1.00 0.00 H new ATOM 0 HA HIS A 42 7.939 -11.569 -7.872 1.00 0.00 H new ATOM 0 HB2 HIS A 42 9.975 -10.324 -6.531 1.00 0.00 H new ATOM 0 HB3 HIS A 42 9.972 -11.875 -5.714 1.00 0.00 H new ATOM 0 HD2 HIS A 42 11.692 -10.391 -8.630 1.00 0.00 H new ATOM 0 HE1 HIS A 42 11.267 -14.481 -9.672 1.00 0.00 H new ATOM 0 HE2 HIS A 42 12.445 -12.297 -10.238 1.00 0.00 H new ATOM 534 N ARG A 43 7.527 -13.800 -6.795 1.00 0.00 N ATOM 535 CA ARG A 43 7.026 -15.047 -6.225 1.00 0.00 C ATOM 536 C ARG A 43 7.639 -15.334 -4.857 1.00 0.00 C ATOM 537 O ARG A 43 8.716 -14.840 -4.525 1.00 0.00 O ATOM 538 CB ARG A 43 7.322 -16.215 -7.169 1.00 0.00 C ATOM 539 CG ARG A 43 6.130 -16.656 -8.003 1.00 0.00 C ATOM 540 CD ARG A 43 4.901 -16.905 -7.144 1.00 0.00 C ATOM 541 NE ARG A 43 5.145 -17.918 -6.119 1.00 0.00 N ATOM 542 CZ ARG A 43 4.267 -18.241 -5.173 1.00 0.00 C ATOM 543 NH1 ARG A 43 3.090 -17.629 -5.112 1.00 0.00 N ATOM 544 NH2 ARG A 43 4.566 -19.178 -4.283 1.00 0.00 N ATOM 0 H ARG A 43 7.779 -13.864 -7.781 1.00 0.00 H new ATOM 0 HA ARG A 43 5.949 -14.936 -6.098 1.00 0.00 H new ATOM 0 HB2 ARG A 43 8.135 -15.931 -7.838 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.674 -17.063 -6.581 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.905 -15.892 -8.747 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.384 -17.566 -8.547 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.597 -15.973 -6.667 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.074 -17.223 -7.778 1.00 0.00 H new ATOM 0 HE ARG A 43 6.041 -18.406 -6.130 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.855 -16.907 -5.793 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.421 -17.881 -4.384 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.469 -19.651 -4.324 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.893 -19.426 -3.558 1.00 0.00 H new ATOM 558 N GLY A 44 6.938 -16.152 -4.078 1.00 0.00 N ATOM 559 CA GLY A 44 7.409 -16.524 -2.753 1.00 0.00 C ATOM 560 C GLY A 44 7.954 -15.354 -1.956 1.00 0.00 C ATOM 561 O GLY A 44 8.914 -15.506 -1.200 1.00 0.00 O ATOM 0 H GLY A 44 6.045 -16.568 -4.342 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.589 -16.981 -2.199 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.187 -17.281 -2.852 1.00 0.00 H new ATOM 565 N GLN A 45 7.343 -14.186 -2.119 1.00 0.00 N ATOM 566 CA GLN A 45 7.777 -12.994 -1.403 1.00 0.00 C ATOM 567 C GLN A 45 6.667 -12.472 -0.499 1.00 0.00 C ATOM 568 O GLN A 45 5.634 -12.001 -0.976 1.00 0.00 O ATOM 569 CB GLN A 45 8.200 -11.904 -2.389 1.00 0.00 C ATOM 570 CG GLN A 45 9.026 -10.797 -1.754 1.00 0.00 C ATOM 571 CD GLN A 45 9.785 -9.975 -2.777 1.00 0.00 C ATOM 572 OE1 GLN A 45 9.584 -10.124 -3.983 1.00 0.00 O ATOM 573 NE2 GLN A 45 10.664 -9.101 -2.300 1.00 0.00 N ATOM 0 H GLN A 45 6.547 -14.040 -2.740 1.00 0.00 H new ATOM 0 HA GLN A 45 8.632 -13.264 -0.784 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.776 -12.359 -3.195 1.00 0.00 H new ATOM 0 HB3 GLN A 45 7.309 -11.468 -2.840 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.369 -10.142 -1.182 1.00 0.00 H new ATOM 0 HG3 GLN A 45 9.733 -11.235 -1.049 1.00 0.00 H new ATOM 0 HE21 GLN A 45 10.798 -9.011 -1.293 1.00 0.00 H new ATOM 0 HE22 GLN A 45 11.205 -8.520 -2.941 1.00 0.00 H new ATOM 582 N VAL A 46 6.884 -12.556 0.810 1.00 0.00 N ATOM 583 CA VAL A 46 5.900 -12.087 1.774 1.00 0.00 C ATOM 584 C VAL A 46 5.805 -10.567 1.740 1.00 0.00 C ATOM 585 O VAL A 46 6.744 -9.889 1.325 1.00 0.00 O ATOM 586 CB VAL A 46 6.253 -12.550 3.201 1.00 0.00 C ATOM 587 CG1 VAL A 46 5.218 -12.057 4.203 1.00 0.00 C ATOM 588 CG2 VAL A 46 6.376 -14.065 3.254 1.00 0.00 C ATOM 0 H VAL A 46 7.731 -12.944 1.225 1.00 0.00 H new ATOM 0 HA VAL A 46 4.937 -12.516 1.498 1.00 0.00 H new ATOM 0 HB VAL A 46 7.216 -12.117 3.472 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.489 -12.396 5.203 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.185 -10.968 4.186 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.238 -12.454 3.938 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.626 -14.374 4.269 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.429 -14.517 2.959 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.162 -14.390 2.572 1.00 0.00 H new ATOM 598 N VAL A 47 4.668 -10.034 2.172 1.00 0.00 N ATOM 599 CA VAL A 47 4.457 -8.609 2.185 1.00 0.00 C ATOM 600 C VAL A 47 3.538 -8.198 3.331 1.00 0.00 C ATOM 601 O VAL A 47 2.799 -9.019 3.872 1.00 0.00 O ATOM 602 CB VAL A 47 3.864 -8.103 0.850 1.00 0.00 C ATOM 603 CG1 VAL A 47 4.288 -6.674 0.565 1.00 0.00 C ATOM 604 CG2 VAL A 47 4.246 -9.020 -0.307 1.00 0.00 C ATOM 0 H VAL A 47 3.879 -10.580 2.518 1.00 0.00 H new ATOM 0 HA VAL A 47 5.436 -8.151 2.326 1.00 0.00 H new ATOM 0 HB VAL A 47 2.779 -8.118 0.949 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.855 -6.348 -0.380 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.939 -6.024 1.368 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.375 -6.623 0.503 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.814 -8.638 -1.232 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.331 -9.055 -0.400 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.866 -10.024 -0.117 1.00 0.00 H new ATOM 614 N TYR A 48 3.591 -6.920 3.696 1.00 0.00 N ATOM 615 CA TYR A 48 2.764 -6.399 4.780 1.00 0.00 C ATOM 616 C TYR A 48 2.082 -5.097 4.369 1.00 0.00 C ATOM 617 O TYR A 48 2.711 -4.039 4.340 1.00 0.00 O ATOM 618 CB TYR A 48 3.612 -6.166 6.031 1.00 0.00 C ATOM 619 CG TYR A 48 4.064 -7.441 6.708 1.00 0.00 C ATOM 620 CD1 TYR A 48 5.085 -8.212 6.167 1.00 0.00 C ATOM 621 CD2 TYR A 48 3.471 -7.871 7.889 1.00 0.00 C ATOM 622 CE1 TYR A 48 5.502 -9.377 6.783 1.00 0.00 C ATOM 623 CE2 TYR A 48 3.883 -9.034 8.511 1.00 0.00 C ATOM 624 CZ TYR A 48 4.898 -9.783 7.954 1.00 0.00 C ATOM 625 OH TYR A 48 5.311 -10.943 8.570 1.00 0.00 O ATOM 0 H TYR A 48 4.197 -6.227 3.257 1.00 0.00 H new ATOM 0 HA TYR A 48 1.995 -7.139 5.001 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.489 -5.579 5.760 1.00 0.00 H new ATOM 0 HB3 TYR A 48 3.038 -5.572 6.742 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.561 -7.896 5.250 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.675 -7.287 8.328 1.00 0.00 H new ATOM 0 HE1 TYR A 48 6.297 -9.966 6.349 1.00 0.00 H new ATOM 0 HE2 TYR A 48 3.412 -9.355 9.429 1.00 0.00 H new ATOM 0 HH TYR A 48 4.730 -11.683 8.296 1.00 0.00 H new ATOM 635 N VAL A 49 0.793 -5.179 4.058 1.00 0.00 N ATOM 636 CA VAL A 49 0.028 -4.004 3.657 1.00 0.00 C ATOM 637 C VAL A 49 -0.209 -3.081 4.847 1.00 0.00 C ATOM 638 O VAL A 49 -0.597 -3.528 5.926 1.00 0.00 O ATOM 639 CB VAL A 49 -1.327 -4.401 3.038 1.00 0.00 C ATOM 640 CG1 VAL A 49 -2.061 -3.173 2.517 1.00 0.00 C ATOM 641 CG2 VAL A 49 -1.129 -5.420 1.927 1.00 0.00 C ATOM 0 H VAL A 49 0.256 -6.046 4.076 1.00 0.00 H new ATOM 0 HA VAL A 49 0.615 -3.477 2.904 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.938 -4.858 3.816 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.015 -3.475 2.084 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.239 -2.480 3.339 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.455 -2.684 1.754 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.096 -5.688 1.502 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.497 -4.992 1.149 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.651 -6.312 2.332 1.00 0.00 H new ATOM 651 N PHE A 50 0.032 -1.791 4.643 1.00 0.00 N ATOM 652 CA PHE A 50 -0.149 -0.802 5.699 1.00 0.00 C ATOM 653 C PHE A 50 -1.387 0.050 5.441 1.00 0.00 C ATOM 654 O PHE A 50 -1.978 0.599 6.371 1.00 0.00 O ATOM 655 CB PHE A 50 1.090 0.091 5.803 1.00 0.00 C ATOM 656 CG PHE A 50 1.626 0.215 7.201 1.00 0.00 C ATOM 657 CD1 PHE A 50 1.010 1.048 8.122 1.00 0.00 C ATOM 658 CD2 PHE A 50 2.745 -0.500 7.594 1.00 0.00 C ATOM 659 CE1 PHE A 50 1.501 1.165 9.408 1.00 0.00 C ATOM 660 CE2 PHE A 50 3.242 -0.388 8.879 1.00 0.00 C ATOM 661 CZ PHE A 50 2.618 0.446 9.787 1.00 0.00 C ATOM 0 H PHE A 50 0.354 -1.405 3.755 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.288 -1.332 6.642 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.872 -0.310 5.157 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.844 1.084 5.428 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.136 1.612 7.831 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.236 -1.153 6.888 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.012 1.818 10.116 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.116 -0.951 9.173 1.00 0.00 H new ATOM 0 HZ PHE A 50 3.003 0.536 10.792 1.00 0.00 H new ATOM 671 N SER A 51 -1.776 0.161 4.175 1.00 0.00 N ATOM 672 CA SER A 51 -2.944 0.950 3.804 1.00 0.00 C ATOM 673 C SER A 51 -3.468 0.538 2.434 1.00 0.00 C ATOM 674 O SER A 51 -2.754 -0.080 1.645 1.00 0.00 O ATOM 675 CB SER A 51 -2.601 2.440 3.806 1.00 0.00 C ATOM 676 OG SER A 51 -1.577 2.729 2.870 1.00 0.00 O ATOM 0 H SER A 51 -1.300 -0.285 3.390 1.00 0.00 H new ATOM 0 HA SER A 51 -3.725 0.764 4.541 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.491 3.022 3.567 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.282 2.742 4.804 1.00 0.00 H new ATOM 0 HG SER A 51 -0.807 3.116 3.337 1.00 0.00 H new ATOM 682 N LYS A 52 -4.720 0.885 2.156 1.00 0.00 N ATOM 683 CA LYS A 52 -5.339 0.549 0.879 1.00 0.00 C ATOM 684 C LYS A 52 -6.158 1.718 0.342 1.00 0.00 C ATOM 685 O LYS A 52 -7.352 1.831 0.620 1.00 0.00 O ATOM 686 CB LYS A 52 -6.230 -0.685 1.029 1.00 0.00 C ATOM 687 CG LYS A 52 -7.152 -0.628 2.236 1.00 0.00 C ATOM 688 CD LYS A 52 -7.136 -1.934 3.016 1.00 0.00 C ATOM 689 CE LYS A 52 -8.293 -2.835 2.615 1.00 0.00 C ATOM 690 NZ LYS A 52 -9.593 -2.338 3.143 1.00 0.00 N ATOM 0 H LYS A 52 -5.325 1.398 2.797 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.543 0.331 0.167 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.832 -0.800 0.128 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.599 -1.571 1.106 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.847 0.190 2.889 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.169 -0.412 1.908 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.193 -2.452 2.842 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.191 -1.722 4.084 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.343 -2.899 1.528 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.113 -3.844 2.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -10.307 -3.091 3.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -9.480 -2.060 4.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.902 -1.515 2.587 1.00 0.00 H new ATOM 704 N LEU A 53 -5.512 2.582 -0.433 1.00 0.00 N ATOM 705 CA LEU A 53 -6.183 3.739 -1.013 1.00 0.00 C ATOM 706 C LEU A 53 -7.172 3.302 -2.090 1.00 0.00 C ATOM 707 O LEU A 53 -6.818 2.554 -3.001 1.00 0.00 O ATOM 708 CB LEU A 53 -5.159 4.709 -1.607 1.00 0.00 C ATOM 709 CG LEU A 53 -5.641 6.154 -1.747 1.00 0.00 C ATOM 710 CD1 LEU A 53 -4.464 7.115 -1.701 1.00 0.00 C ATOM 711 CD2 LEU A 53 -6.426 6.330 -3.037 1.00 0.00 C ATOM 0 H LEU A 53 -4.524 2.503 -0.674 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.731 4.247 -0.220 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.266 4.699 -0.982 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.863 4.344 -2.591 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.301 6.381 -0.910 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.826 8.138 -1.802 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.943 7.007 -0.750 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.779 6.890 -2.518 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.761 7.364 -3.121 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.789 6.085 -3.887 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -7.291 5.667 -3.030 1.00 0.00 H new ATOM 723 N LYS A 54 -8.411 3.768 -1.977 1.00 0.00 N ATOM 724 CA LYS A 54 -9.448 3.417 -2.942 1.00 0.00 C ATOM 725 C LYS A 54 -10.114 4.668 -3.510 1.00 0.00 C ATOM 726 O LYS A 54 -9.618 5.781 -3.334 1.00 0.00 O ATOM 727 CB LYS A 54 -10.496 2.516 -2.283 1.00 0.00 C ATOM 728 CG LYS A 54 -11.319 3.220 -1.217 1.00 0.00 C ATOM 729 CD LYS A 54 -12.666 2.548 -1.018 1.00 0.00 C ATOM 730 CE LYS A 54 -13.675 3.495 -0.390 1.00 0.00 C ATOM 731 NZ LYS A 54 -14.602 2.787 0.536 1.00 0.00 N ATOM 0 H LYS A 54 -8.722 4.388 -1.229 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.979 2.878 -3.765 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -11.166 2.130 -3.051 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.995 1.657 -1.836 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.770 3.223 -0.275 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.470 4.261 -1.501 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.044 2.197 -1.978 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -12.545 1.670 -0.383 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -13.147 4.279 0.154 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -14.251 3.985 -1.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.274 3.469 0.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -15.125 2.056 0.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.056 2.341 1.300 1.00 0.00 H new ATOM 745 N GLY A 55 -11.239 4.476 -4.194 1.00 0.00 N ATOM 746 CA GLY A 55 -11.953 5.596 -4.779 1.00 0.00 C ATOM 747 C GLY A 55 -11.157 6.290 -5.869 1.00 0.00 C ATOM 748 O GLY A 55 -11.517 7.384 -6.303 1.00 0.00 O ATOM 0 H GLY A 55 -11.668 3.564 -4.353 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -12.898 5.244 -5.193 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -12.196 6.316 -3.997 1.00 0.00 H new ATOM 752 N ARG A 56 -10.074 5.651 -6.312 1.00 0.00 N ATOM 753 CA ARG A 56 -9.219 6.203 -7.359 1.00 0.00 C ATOM 754 C ARG A 56 -7.899 5.442 -7.430 1.00 0.00 C ATOM 755 O ARG A 56 -7.294 5.328 -8.495 1.00 0.00 O ATOM 756 CB ARG A 56 -8.936 7.689 -7.111 1.00 0.00 C ATOM 757 CG ARG A 56 -8.562 8.006 -5.671 1.00 0.00 C ATOM 758 CD ARG A 56 -7.226 8.728 -5.587 1.00 0.00 C ATOM 759 NE ARG A 56 -6.109 7.857 -5.947 1.00 0.00 N ATOM 760 CZ ARG A 56 -4.922 8.301 -6.356 1.00 0.00 C ATOM 761 NH1 ARG A 56 -4.689 9.604 -6.454 1.00 0.00 N ATOM 762 NH2 ARG A 56 -3.965 7.439 -6.668 1.00 0.00 N ATOM 0 H ARG A 56 -9.768 4.745 -5.958 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.748 6.098 -8.306 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.127 8.010 -7.767 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.818 8.269 -7.385 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -9.339 8.623 -5.220 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.514 7.082 -5.095 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.239 9.593 -6.250 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.080 9.104 -4.574 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.247 6.849 -5.881 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.422 10.272 -6.215 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.777 9.937 -6.768 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.138 6.436 -6.595 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.055 7.778 -6.981 1.00 0.00 H new ATOM 776 N GLY A 57 -7.455 4.924 -6.286 1.00 0.00 N ATOM 777 CA GLY A 57 -6.205 4.187 -6.245 1.00 0.00 C ATOM 778 C GLY A 57 -6.366 2.786 -5.686 1.00 0.00 C ATOM 779 O GLY A 57 -5.408 2.201 -5.182 1.00 0.00 O ATOM 0 H GLY A 57 -7.938 5.002 -5.391 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.791 4.126 -7.252 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.485 4.735 -5.637 1.00 0.00 H new ATOM 783 N ARG A 58 -7.579 2.245 -5.772 1.00 0.00 N ATOM 784 CA ARG A 58 -7.856 0.906 -5.271 1.00 0.00 C ATOM 785 C ARG A 58 -6.864 -0.107 -5.837 1.00 0.00 C ATOM 786 O ARG A 58 -6.341 -0.953 -5.112 1.00 0.00 O ATOM 787 CB ARG A 58 -9.284 0.493 -5.629 1.00 0.00 C ATOM 788 CG ARG A 58 -9.888 -0.507 -4.658 1.00 0.00 C ATOM 789 CD ARG A 58 -11.293 -0.912 -5.074 1.00 0.00 C ATOM 790 NE ARG A 58 -12.288 0.081 -4.677 1.00 0.00 N ATOM 791 CZ ARG A 58 -13.592 -0.169 -4.594 1.00 0.00 C ATOM 792 NH1 ARG A 58 -14.063 -1.377 -4.879 1.00 0.00 N ATOM 793 NH2 ARG A 58 -14.429 0.791 -4.225 1.00 0.00 N ATOM 0 H ARG A 58 -8.384 2.716 -6.185 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.749 0.922 -4.186 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -9.914 1.382 -5.661 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -9.289 0.063 -6.631 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -9.254 -1.392 -4.605 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -9.915 -0.074 -3.658 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -11.326 -1.047 -6.155 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -11.541 -1.874 -4.625 1.00 0.00 H new ATOM 0 HE ARG A 58 -11.964 1.021 -4.450 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -13.424 -2.119 -5.163 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -15.064 -1.563 -4.814 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -14.073 1.721 -4.005 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -15.429 0.599 -4.161 1.00 0.00 H new ATOM 807 N LEU A 59 -6.613 -0.013 -7.139 1.00 0.00 N ATOM 808 CA LEU A 59 -5.691 -0.915 -7.811 1.00 0.00 C ATOM 809 C LEU A 59 -4.268 -0.769 -7.270 1.00 0.00 C ATOM 810 O LEU A 59 -3.418 -1.625 -7.508 1.00 0.00 O ATOM 811 CB LEU A 59 -5.702 -0.657 -9.320 1.00 0.00 C ATOM 812 CG LEU A 59 -5.428 0.790 -9.733 1.00 0.00 C ATOM 813 CD1 LEU A 59 -3.945 0.997 -10.000 1.00 0.00 C ATOM 814 CD2 LEU A 59 -6.248 1.159 -10.962 1.00 0.00 C ATOM 0 H LEU A 59 -7.039 0.684 -7.750 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.024 -1.934 -7.615 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.956 -1.299 -9.788 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.673 -0.954 -9.717 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.724 1.444 -8.913 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.769 2.032 -10.293 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.378 0.774 -9.096 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.624 0.333 -10.803 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.040 2.192 -11.241 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.983 0.499 -11.788 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.309 1.050 -10.737 1.00 0.00 H new ATOM 826 N PHE A 60 -4.010 0.319 -6.549 1.00 0.00 N ATOM 827 CA PHE A 60 -2.687 0.564 -5.986 1.00 0.00 C ATOM 828 C PHE A 60 -2.739 0.627 -4.463 1.00 0.00 C ATOM 829 O PHE A 60 -2.897 1.699 -3.880 1.00 0.00 O ATOM 830 CB PHE A 60 -2.106 1.866 -6.547 1.00 0.00 C ATOM 831 CG PHE A 60 -0.790 1.684 -7.250 1.00 0.00 C ATOM 832 CD1 PHE A 60 -0.584 0.604 -8.093 1.00 0.00 C ATOM 833 CD2 PHE A 60 0.237 2.595 -7.068 1.00 0.00 C ATOM 834 CE1 PHE A 60 0.626 0.436 -8.742 1.00 0.00 C ATOM 835 CE2 PHE A 60 1.448 2.432 -7.714 1.00 0.00 C ATOM 836 CZ PHE A 60 1.643 1.351 -8.551 1.00 0.00 C ATOM 0 H PHE A 60 -4.698 1.043 -6.342 1.00 0.00 H new ATOM 0 HA PHE A 60 -2.041 -0.267 -6.269 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -2.822 2.304 -7.242 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -1.977 2.578 -5.732 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.376 -0.114 -8.245 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.090 3.442 -6.414 1.00 0.00 H new ATOM 0 HE1 PHE A 60 0.775 -0.409 -9.397 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.241 3.150 -7.564 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.589 1.221 -9.055 1.00 0.00 H new ATOM 846 N TRP A 61 -2.601 -0.531 -3.827 1.00 0.00 N ATOM 847 CA TRP A 61 -2.627 -0.614 -2.371 1.00 0.00 C ATOM 848 C TRP A 61 -1.253 -0.297 -1.788 1.00 0.00 C ATOM 849 O TRP A 61 -0.230 -0.519 -2.433 1.00 0.00 O ATOM 850 CB TRP A 61 -3.071 -2.010 -1.928 1.00 0.00 C ATOM 851 CG TRP A 61 -4.560 -2.168 -1.856 1.00 0.00 C ATOM 852 CD1 TRP A 61 -5.497 -1.420 -2.509 1.00 0.00 C ATOM 853 CD2 TRP A 61 -5.284 -3.135 -1.086 1.00 0.00 C ATOM 854 NE1 TRP A 61 -6.755 -1.861 -2.194 1.00 0.00 N ATOM 855 CE2 TRP A 61 -6.653 -2.913 -1.322 1.00 0.00 C ATOM 856 CE3 TRP A 61 -4.907 -4.166 -0.221 1.00 0.00 C ATOM 857 CZ2 TRP A 61 -7.647 -3.685 -0.723 1.00 0.00 C ATOM 858 CZ3 TRP A 61 -5.893 -4.932 0.372 1.00 0.00 C ATOM 859 CH2 TRP A 61 -7.248 -4.688 0.119 1.00 0.00 C ATOM 0 H TRP A 61 -2.470 -1.426 -4.297 1.00 0.00 H new ATOM 0 HA TRP A 61 -3.341 0.122 -2.000 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -2.668 -2.748 -2.622 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -2.643 -2.225 -0.949 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -5.278 -0.600 -3.177 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -7.627 -1.470 -2.551 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -3.864 -4.361 -0.020 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -8.693 -3.499 -0.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -5.613 -5.732 1.042 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -7.994 -5.304 0.598 1.00 0.00 H new ATOM 870 N GLY A 62 -1.236 0.219 -0.563 1.00 0.00 N ATOM 871 CA GLY A 62 0.020 0.554 0.082 1.00 0.00 C ATOM 872 C GLY A 62 0.492 -0.537 1.020 1.00 0.00 C ATOM 873 O GLY A 62 -0.245 -0.959 1.910 1.00 0.00 O ATOM 0 H GLY A 62 -2.069 0.411 -0.006 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.781 0.731 -0.678 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.096 1.484 0.639 1.00 0.00 H new ATOM 877 N GLY A 63 1.723 -0.999 0.821 1.00 0.00 N ATOM 878 CA GLY A 63 2.260 -2.047 1.666 1.00 0.00 C ATOM 879 C GLY A 63 3.773 -2.015 1.759 1.00 0.00 C ATOM 880 O GLY A 63 4.404 -1.006 1.442 1.00 0.00 O ATOM 0 H GLY A 63 2.355 -0.667 0.092 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.838 -1.952 2.666 1.00 0.00 H new ATOM 0 HA3 GLY A 63 1.946 -3.016 1.278 1.00 0.00 H new ATOM 884 N SER A 64 4.350 -3.128 2.194 1.00 0.00 N ATOM 885 CA SER A 64 5.798 -3.248 2.335 1.00 0.00 C ATOM 886 C SER A 64 6.190 -4.716 2.294 1.00 0.00 C ATOM 887 O SER A 64 5.675 -5.519 3.073 1.00 0.00 O ATOM 888 CB SER A 64 6.267 -2.609 3.646 1.00 0.00 C ATOM 889 OG SER A 64 5.183 -2.035 4.354 1.00 0.00 O ATOM 0 H SER A 64 3.834 -3.967 2.457 1.00 0.00 H new ATOM 0 HA SER A 64 6.280 -2.723 1.510 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.752 -3.362 4.267 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.012 -1.843 3.434 1.00 0.00 H new ATOM 0 HG SER A 64 5.511 -1.636 5.187 1.00 0.00 H new ATOM 895 N VAL A 65 7.086 -5.074 1.382 1.00 0.00 N ATOM 896 CA VAL A 65 7.505 -6.446 1.247 1.00 0.00 C ATOM 897 C VAL A 65 8.418 -6.846 2.381 1.00 0.00 C ATOM 898 O VAL A 65 9.150 -6.033 2.946 1.00 0.00 O ATOM 899 CB VAL A 65 8.231 -6.734 -0.089 1.00 0.00 C ATOM 900 CG1 VAL A 65 7.440 -7.723 -0.934 1.00 0.00 C ATOM 901 CG2 VAL A 65 8.510 -5.462 -0.880 1.00 0.00 C ATOM 0 H VAL A 65 7.530 -4.427 0.730 1.00 0.00 H new ATOM 0 HA VAL A 65 6.587 -7.033 1.269 1.00 0.00 H new ATOM 0 HB VAL A 65 9.194 -7.178 0.163 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.970 -7.909 -1.868 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.327 -8.659 -0.388 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.456 -7.309 -1.152 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.020 -5.716 -1.809 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.569 -4.962 -1.108 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.141 -4.797 -0.290 1.00 0.00 H new ATOM 911 N GLN A 66 8.349 -8.115 2.696 1.00 0.00 N ATOM 912 CA GLN A 66 9.150 -8.698 3.768 1.00 0.00 C ATOM 913 C GLN A 66 10.634 -8.410 3.567 1.00 0.00 C ATOM 914 O GLN A 66 11.090 -8.196 2.444 1.00 0.00 O ATOM 915 CB GLN A 66 8.918 -10.208 3.840 1.00 0.00 C ATOM 916 CG GLN A 66 9.331 -10.946 2.577 1.00 0.00 C ATOM 917 CD GLN A 66 10.317 -12.066 2.849 1.00 0.00 C ATOM 918 OE1 GLN A 66 11.050 -12.036 3.838 1.00 0.00 O ATOM 919 NE2 GLN A 66 10.339 -13.061 1.971 1.00 0.00 N ATOM 0 H GLN A 66 7.739 -8.782 2.223 1.00 0.00 H new ATOM 0 HA GLN A 66 8.837 -8.241 4.707 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.473 -10.613 4.686 1.00 0.00 H new ATOM 0 HB3 GLN A 66 7.862 -10.397 4.033 1.00 0.00 H new ATOM 0 HG2 GLN A 66 8.444 -11.357 2.095 1.00 0.00 H new ATOM 0 HG3 GLN A 66 9.775 -10.239 1.877 1.00 0.00 H new ATOM 0 HE21 GLN A 66 9.713 -13.044 1.166 1.00 0.00 H new ATOM 0 HE22 GLN A 66 10.981 -13.842 2.102 1.00 0.00 H new ATOM 928 N GLY A 67 11.384 -8.405 4.665 1.00 0.00 N ATOM 929 CA GLY A 67 12.810 -8.142 4.590 1.00 0.00 C ATOM 930 C GLY A 67 13.611 -9.013 5.537 1.00 0.00 C ATOM 931 O GLY A 67 14.213 -10.002 5.122 1.00 0.00 O ATOM 0 H GLY A 67 11.030 -8.578 5.606 1.00 0.00 H new ATOM 0 HA2 GLY A 67 13.154 -8.309 3.569 1.00 0.00 H new ATOM 0 HA3 GLY A 67 12.995 -7.093 4.821 1.00 0.00 H new ATOM 935 N ASP A 68 13.619 -8.645 6.815 1.00 0.00 N ATOM 936 CA ASP A 68 14.354 -9.399 7.824 1.00 0.00 C ATOM 937 C ASP A 68 13.397 -10.070 8.805 1.00 0.00 C ATOM 938 O ASP A 68 12.179 -9.935 8.691 1.00 0.00 O ATOM 939 CB ASP A 68 15.315 -8.480 8.580 1.00 0.00 C ATOM 940 CG ASP A 68 16.712 -8.495 7.990 1.00 0.00 C ATOM 941 OD1 ASP A 68 17.327 -9.581 7.947 1.00 0.00 O ATOM 942 OD2 ASP A 68 17.192 -7.420 7.572 1.00 0.00 O ATOM 0 H ASP A 68 13.125 -7.829 7.176 1.00 0.00 H new ATOM 0 HA ASP A 68 14.928 -10.173 7.315 1.00 0.00 H new ATOM 0 HB2 ASP A 68 14.928 -7.461 8.564 1.00 0.00 H new ATOM 0 HB3 ASP A 68 15.361 -8.787 9.625 1.00 0.00 H new ATOM 947 N TYR A 69 13.958 -10.793 9.770 1.00 0.00 N ATOM 948 CA TYR A 69 13.155 -11.486 10.771 1.00 0.00 C ATOM 949 C TYR A 69 13.382 -10.890 12.158 1.00 0.00 C ATOM 950 O TYR A 69 13.321 -11.596 13.164 1.00 0.00 O ATOM 951 CB TYR A 69 13.493 -12.978 10.783 1.00 0.00 C ATOM 952 CG TYR A 69 14.978 -13.264 10.786 1.00 0.00 C ATOM 953 CD1 TYR A 69 15.745 -13.043 11.924 1.00 0.00 C ATOM 954 CD2 TYR A 69 15.613 -13.754 9.652 1.00 0.00 C ATOM 955 CE1 TYR A 69 17.103 -13.302 11.930 1.00 0.00 C ATOM 956 CE2 TYR A 69 16.970 -14.017 9.651 1.00 0.00 C ATOM 957 CZ TYR A 69 17.710 -13.789 10.792 1.00 0.00 C ATOM 958 OH TYR A 69 19.061 -14.049 10.794 1.00 0.00 O ATOM 0 H TYR A 69 14.965 -10.914 9.879 1.00 0.00 H new ATOM 0 HA TYR A 69 12.105 -11.361 10.508 1.00 0.00 H new ATOM 0 HB2 TYR A 69 13.042 -13.437 11.663 1.00 0.00 H new ATOM 0 HB3 TYR A 69 13.042 -13.451 9.910 1.00 0.00 H new ATOM 0 HD1 TYR A 69 15.273 -12.663 12.818 1.00 0.00 H new ATOM 0 HD2 TYR A 69 15.037 -13.932 8.756 1.00 0.00 H new ATOM 0 HE1 TYR A 69 17.686 -13.124 12.822 1.00 0.00 H new ATOM 0 HE2 TYR A 69 17.448 -14.399 8.761 1.00 0.00 H new ATOM 0 HH TYR A 69 19.330 -14.388 9.915 1.00 0.00 H new ATOM 968 N TYR A 70 13.643 -9.588 12.202 1.00 0.00 N ATOM 969 CA TYR A 70 13.879 -8.898 13.465 1.00 0.00 C ATOM 970 C TYR A 70 12.832 -7.813 13.696 1.00 0.00 C ATOM 971 O TYR A 70 12.837 -6.779 13.027 1.00 0.00 O ATOM 972 CB TYR A 70 15.280 -8.282 13.481 1.00 0.00 C ATOM 973 CG TYR A 70 15.756 -7.892 14.862 1.00 0.00 C ATOM 974 CD1 TYR A 70 15.835 -8.833 15.881 1.00 0.00 C ATOM 975 CD2 TYR A 70 16.124 -6.583 15.147 1.00 0.00 C ATOM 976 CE1 TYR A 70 16.270 -8.481 17.145 1.00 0.00 C ATOM 977 CE2 TYR A 70 16.561 -6.223 16.407 1.00 0.00 C ATOM 978 CZ TYR A 70 16.631 -7.175 17.403 1.00 0.00 C ATOM 979 OH TYR A 70 17.064 -6.820 18.660 1.00 0.00 O ATOM 0 H TYR A 70 13.696 -8.989 11.378 1.00 0.00 H new ATOM 0 HA TYR A 70 13.802 -9.630 14.269 1.00 0.00 H new ATOM 0 HB2 TYR A 70 15.985 -8.993 13.051 1.00 0.00 H new ATOM 0 HB3 TYR A 70 15.287 -7.400 12.841 1.00 0.00 H new ATOM 0 HD1 TYR A 70 15.552 -9.856 15.682 1.00 0.00 H new ATOM 0 HD2 TYR A 70 16.067 -5.834 14.371 1.00 0.00 H new ATOM 0 HE1 TYR A 70 16.327 -9.225 17.926 1.00 0.00 H new ATOM 0 HE2 TYR A 70 16.846 -5.202 16.611 1.00 0.00 H new ATOM 0 HH TYR A 70 17.280 -5.864 18.674 1.00 0.00 H new ATOM 989 N GLY A 71 11.936 -8.056 14.646 1.00 0.00 N ATOM 990 CA GLY A 71 10.894 -7.091 14.947 1.00 0.00 C ATOM 991 C GLY A 71 9.985 -6.830 13.762 1.00 0.00 C ATOM 992 O GLY A 71 9.341 -7.746 13.252 1.00 0.00 O ATOM 0 H GLY A 71 11.912 -8.903 15.213 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.298 -7.454 15.785 1.00 0.00 H new ATOM 0 HA3 GLY A 71 11.352 -6.154 15.263 1.00 0.00 H new ATOM 996 N ASP A 72 9.936 -5.577 13.321 1.00 0.00 N ATOM 997 CA ASP A 72 9.102 -5.196 12.186 1.00 0.00 C ATOM 998 C ASP A 72 9.222 -3.703 11.905 1.00 0.00 C ATOM 999 O ASP A 72 8.240 -2.963 11.967 1.00 0.00 O ATOM 1000 CB ASP A 72 7.640 -5.568 12.448 1.00 0.00 C ATOM 1001 CG ASP A 72 6.944 -6.088 11.205 1.00 0.00 C ATOM 1002 OD1 ASP A 72 7.403 -7.110 10.653 1.00 0.00 O ATOM 1003 OD2 ASP A 72 5.941 -5.474 10.785 1.00 0.00 O ATOM 0 H ASP A 72 10.464 -4.808 13.733 1.00 0.00 H new ATOM 0 HA ASP A 72 9.451 -5.741 11.309 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.595 -6.326 13.230 1.00 0.00 H new ATOM 0 HB3 ASP A 72 7.107 -4.694 12.821 1.00 0.00 H new ATOM 1008 N LEU A 73 10.437 -3.269 11.596 1.00 0.00 N ATOM 1009 CA LEU A 73 10.698 -1.864 11.304 1.00 0.00 C ATOM 1010 C LEU A 73 11.972 -1.707 10.480 1.00 0.00 C ATOM 1011 O LEU A 73 13.016 -1.316 11.000 1.00 0.00 O ATOM 1012 CB LEU A 73 10.813 -1.065 12.605 1.00 0.00 C ATOM 1013 CG LEU A 73 9.538 -0.330 13.026 1.00 0.00 C ATOM 1014 CD1 LEU A 73 9.369 -0.374 14.537 1.00 0.00 C ATOM 1015 CD2 LEU A 73 9.568 1.110 12.535 1.00 0.00 C ATOM 0 H LEU A 73 11.259 -3.870 11.541 1.00 0.00 H new ATOM 0 HA LEU A 73 9.862 -1.477 10.721 1.00 0.00 H new ATOM 0 HB2 LEU A 73 11.105 -1.744 13.406 1.00 0.00 H new ATOM 0 HB3 LEU A 73 11.616 -0.336 12.497 1.00 0.00 H new ATOM 0 HG LEU A 73 8.685 -0.833 12.571 1.00 0.00 H new ATOM 0 HD11 LEU A 73 8.457 0.154 14.817 1.00 0.00 H new ATOM 0 HD12 LEU A 73 9.303 -1.411 14.866 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.225 0.104 15.013 1.00 0.00 H new ATOM 0 HD21 LEU A 73 8.654 1.618 12.843 1.00 0.00 H new ATOM 0 HD22 LEU A 73 10.430 1.622 12.962 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.641 1.122 11.448 1.00 0.00 H new ATOM 1027 N ALA A 74 11.875 -2.013 9.188 1.00 0.00 N ATOM 1028 CA ALA A 74 13.012 -1.905 8.286 1.00 0.00 C ATOM 1029 C ALA A 74 12.636 -2.351 6.877 1.00 0.00 C ATOM 1030 O ALA A 74 12.995 -3.446 6.444 1.00 0.00 O ATOM 1031 CB ALA A 74 14.189 -2.720 8.807 1.00 0.00 C ATOM 0 H ALA A 74 11.016 -2.338 8.744 1.00 0.00 H new ATOM 0 HA ALA A 74 13.309 -0.857 8.242 1.00 0.00 H new ATOM 0 HB1 ALA A 74 15.029 -2.627 8.119 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.482 -2.350 9.789 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.899 -3.768 8.886 1.00 0.00 H new ATOM 1037 N ALA A 75 11.912 -1.495 6.165 1.00 0.00 N ATOM 1038 CA ALA A 75 11.486 -1.799 4.804 1.00 0.00 C ATOM 1039 C ALA A 75 10.969 -0.550 4.097 1.00 0.00 C ATOM 1040 O ALA A 75 10.621 0.441 4.741 1.00 0.00 O ATOM 1041 CB ALA A 75 10.418 -2.882 4.815 1.00 0.00 C ATOM 0 H ALA A 75 11.607 -0.584 6.508 1.00 0.00 H new ATOM 0 HA ALA A 75 12.352 -2.164 4.252 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.109 -3.099 3.792 1.00 0.00 H new ATOM 0 HB2 ALA A 75 10.821 -3.786 5.272 1.00 0.00 H new ATOM 0 HB3 ALA A 75 9.557 -2.538 5.389 1.00 0.00 H new ATOM 1047 N ARG A 76 10.922 -0.603 2.770 1.00 0.00 N ATOM 1048 CA ARG A 76 10.448 0.525 1.975 1.00 0.00 C ATOM 1049 C ARG A 76 9.004 0.312 1.535 1.00 0.00 C ATOM 1050 O ARG A 76 8.727 -0.492 0.645 1.00 0.00 O ATOM 1051 CB ARG A 76 11.343 0.724 0.751 1.00 0.00 C ATOM 1052 CG ARG A 76 12.617 1.499 1.047 1.00 0.00 C ATOM 1053 CD ARG A 76 13.020 2.382 -0.125 1.00 0.00 C ATOM 1054 NE ARG A 76 14.320 2.000 -0.674 1.00 0.00 N ATOM 1055 CZ ARG A 76 15.465 2.100 -0.005 1.00 0.00 C ATOM 1056 NH1 ARG A 76 15.479 2.568 1.236 1.00 0.00 N ATOM 1057 NH2 ARG A 76 16.603 1.729 -0.579 1.00 0.00 N ATOM 0 H ARG A 76 11.206 -1.415 2.222 1.00 0.00 H new ATOM 0 HA ARG A 76 10.490 1.419 2.597 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.608 -0.251 0.343 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.779 1.250 -0.019 1.00 0.00 H new ATOM 0 HG2 ARG A 76 12.471 2.115 1.934 1.00 0.00 H new ATOM 0 HG3 ARG A 76 13.424 0.802 1.272 1.00 0.00 H new ATOM 0 HD2 ARG A 76 12.263 2.316 -0.906 1.00 0.00 H new ATOM 0 HD3 ARG A 76 13.054 3.422 0.199 1.00 0.00 H new ATOM 0 HE ARG A 76 14.351 1.635 -1.626 1.00 0.00 H new ATOM 0 HH11 ARG A 76 14.608 2.854 1.683 1.00 0.00 H new ATOM 0 HH12 ARG A 76 16.361 2.642 1.743 1.00 0.00 H new ATOM 0 HH21 ARG A 76 16.599 1.367 -1.533 1.00 0.00 H new ATOM 0 HH22 ARG A 76 17.481 1.806 -0.066 1.00 0.00 H new ATOM 1071 N LEU A 77 8.085 1.039 2.166 1.00 0.00 N ATOM 1072 CA LEU A 77 6.668 0.931 1.839 1.00 0.00 C ATOM 1073 C LEU A 77 6.409 1.346 0.394 1.00 0.00 C ATOM 1074 O LEU A 77 6.781 2.443 -0.024 1.00 0.00 O ATOM 1075 CB LEU A 77 5.838 1.794 2.793 1.00 0.00 C ATOM 1076 CG LEU A 77 4.782 1.032 3.601 1.00 0.00 C ATOM 1077 CD1 LEU A 77 4.989 1.246 5.093 1.00 0.00 C ATOM 1078 CD2 LEU A 77 3.381 1.462 3.190 1.00 0.00 C ATOM 0 H LEU A 77 8.297 1.708 2.906 1.00 0.00 H new ATOM 0 HA LEU A 77 6.370 -0.111 1.953 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.513 2.295 3.487 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.340 2.572 2.215 1.00 0.00 H new ATOM 0 HG LEU A 77 4.892 -0.032 3.389 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.229 0.696 5.648 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.978 0.887 5.378 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.909 2.309 5.323 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.645 0.910 3.775 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.261 2.530 3.370 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.233 1.254 2.130 1.00 0.00 H new ATOM 1090 N GLY A 78 5.770 0.462 -0.367 1.00 0.00 N ATOM 1091 CA GLY A 78 5.473 0.754 -1.757 1.00 0.00 C ATOM 1092 C GLY A 78 3.985 0.753 -2.044 1.00 0.00 C ATOM 1093 O GLY A 78 3.170 0.600 -1.134 1.00 0.00 O ATOM 0 H GLY A 78 5.453 -0.452 -0.045 1.00 0.00 H new ATOM 0 HA2 GLY A 78 5.890 1.727 -2.018 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.963 0.017 -2.393 1.00 0.00 H new ATOM 1097 N TYR A 79 3.629 0.923 -3.314 1.00 0.00 N ATOM 1098 CA TYR A 79 2.229 0.941 -3.720 1.00 0.00 C ATOM 1099 C TYR A 79 1.997 0.028 -4.919 1.00 0.00 C ATOM 1100 O TYR A 79 2.555 0.247 -5.994 1.00 0.00 O ATOM 1101 CB TYR A 79 1.794 2.367 -4.059 1.00 0.00 C ATOM 1102 CG TYR A 79 1.483 3.213 -2.845 1.00 0.00 C ATOM 1103 CD1 TYR A 79 2.482 3.566 -1.946 1.00 0.00 C ATOM 1104 CD2 TYR A 79 0.191 3.659 -2.597 1.00 0.00 C ATOM 1105 CE1 TYR A 79 2.202 4.339 -0.835 1.00 0.00 C ATOM 1106 CE2 TYR A 79 -0.097 4.432 -1.488 1.00 0.00 C ATOM 1107 CZ TYR A 79 0.912 4.770 -0.611 1.00 0.00 C ATOM 1108 OH TYR A 79 0.628 5.539 0.494 1.00 0.00 O ATOM 0 H TYR A 79 4.291 1.050 -4.079 1.00 0.00 H new ATOM 0 HA TYR A 79 1.631 0.574 -2.886 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.583 2.851 -4.635 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.912 2.326 -4.698 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.494 3.231 -2.118 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -0.602 3.397 -3.282 1.00 0.00 H new ATOM 0 HE1 TYR A 79 2.990 4.604 -0.146 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -1.107 4.770 -1.309 1.00 0.00 H new ATOM 0 HH TYR A 79 1.415 6.072 0.732 1.00 0.00 H new ATOM 1118 N PHE A 80 1.174 -0.999 -4.727 1.00 0.00 N ATOM 1119 CA PHE A 80 0.873 -1.945 -5.796 1.00 0.00 C ATOM 1120 C PHE A 80 -0.432 -2.686 -5.518 1.00 0.00 C ATOM 1121 O PHE A 80 -0.860 -2.801 -4.369 1.00 0.00 O ATOM 1122 CB PHE A 80 2.020 -2.946 -5.954 1.00 0.00 C ATOM 1123 CG PHE A 80 2.366 -3.668 -4.684 1.00 0.00 C ATOM 1124 CD1 PHE A 80 1.498 -4.604 -4.145 1.00 0.00 C ATOM 1125 CD2 PHE A 80 3.559 -3.411 -4.029 1.00 0.00 C ATOM 1126 CE1 PHE A 80 1.814 -5.270 -2.976 1.00 0.00 C ATOM 1127 CE2 PHE A 80 3.881 -4.074 -2.860 1.00 0.00 C ATOM 1128 CZ PHE A 80 3.007 -5.005 -2.333 1.00 0.00 C ATOM 0 H PHE A 80 0.705 -1.197 -3.843 1.00 0.00 H new ATOM 0 HA PHE A 80 0.758 -1.384 -6.723 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.751 -3.677 -6.716 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.903 -2.420 -6.315 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.564 -4.815 -4.644 1.00 0.00 H new ATOM 0 HD2 PHE A 80 4.246 -2.684 -4.437 1.00 0.00 H new ATOM 0 HE1 PHE A 80 1.129 -5.997 -2.566 1.00 0.00 H new ATOM 0 HE2 PHE A 80 4.815 -3.865 -2.359 1.00 0.00 H new ATOM 0 HZ PHE A 80 3.256 -5.525 -1.420 1.00 0.00 H new ATOM 1138 N PRO A 81 -1.085 -3.204 -6.574 1.00 0.00 N ATOM 1139 CA PRO A 81 -2.348 -3.938 -6.441 1.00 0.00 C ATOM 1140 C PRO A 81 -2.214 -5.162 -5.540 1.00 0.00 C ATOM 1141 O PRO A 81 -1.210 -5.872 -5.585 1.00 0.00 O ATOM 1142 CB PRO A 81 -2.680 -4.367 -7.878 1.00 0.00 C ATOM 1143 CG PRO A 81 -1.400 -4.237 -8.631 1.00 0.00 C ATOM 1144 CD PRO A 81 -0.649 -3.116 -7.976 1.00 0.00 C ATOM 0 HA PRO A 81 -3.122 -3.324 -5.981 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.052 -5.391 -7.907 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -3.456 -3.734 -8.308 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -0.829 -5.164 -8.593 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -1.586 -4.020 -9.683 1.00 0.00 H new ATOM 0 HD2 PRO A 81 0.429 -3.242 -8.072 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -0.898 -2.151 -8.417 1.00 0.00 H new ATOM 1152 N SER A 82 -3.234 -5.399 -4.724 1.00 0.00 N ATOM 1153 CA SER A 82 -3.235 -6.536 -3.810 1.00 0.00 C ATOM 1154 C SER A 82 -3.451 -7.845 -4.565 1.00 0.00 C ATOM 1155 O SER A 82 -3.019 -8.907 -4.118 1.00 0.00 O ATOM 1156 CB SER A 82 -4.324 -6.361 -2.749 1.00 0.00 C ATOM 1157 OG SER A 82 -4.178 -7.310 -1.707 1.00 0.00 O ATOM 0 H SER A 82 -4.072 -4.819 -4.676 1.00 0.00 H new ATOM 0 HA SER A 82 -2.262 -6.577 -3.321 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.276 -5.353 -2.337 1.00 0.00 H new ATOM 0 HB3 SER A 82 -5.306 -6.470 -3.210 1.00 0.00 H new ATOM 0 HG SER A 82 -4.578 -6.957 -0.885 1.00 0.00 H new ATOM 1163 N SER A 83 -4.125 -7.762 -5.709 1.00 0.00 N ATOM 1164 CA SER A 83 -4.403 -8.938 -6.526 1.00 0.00 C ATOM 1165 C SER A 83 -3.146 -9.780 -6.738 1.00 0.00 C ATOM 1166 O SER A 83 -3.201 -11.009 -6.719 1.00 0.00 O ATOM 1167 CB SER A 83 -4.981 -8.518 -7.880 1.00 0.00 C ATOM 1168 OG SER A 83 -6.396 -8.457 -7.833 1.00 0.00 O ATOM 0 H SER A 83 -4.489 -6.889 -6.091 1.00 0.00 H new ATOM 0 HA SER A 83 -5.134 -9.547 -5.994 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.581 -7.545 -8.164 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.670 -9.226 -8.648 1.00 0.00 H new ATOM 0 HG SER A 83 -6.741 -8.185 -8.709 1.00 0.00 H new ATOM 1174 N ILE A 84 -2.016 -9.110 -6.940 1.00 0.00 N ATOM 1175 CA ILE A 84 -0.752 -9.789 -7.155 1.00 0.00 C ATOM 1176 C ILE A 84 -0.337 -10.584 -5.922 1.00 0.00 C ATOM 1177 O ILE A 84 0.297 -11.634 -6.032 1.00 0.00 O ATOM 1178 CB ILE A 84 0.357 -8.781 -7.506 1.00 0.00 C ATOM 1179 CG1 ILE A 84 -0.105 -7.843 -8.626 1.00 0.00 C ATOM 1180 CG2 ILE A 84 1.621 -9.513 -7.912 1.00 0.00 C ATOM 1181 CD1 ILE A 84 -0.579 -8.567 -9.868 1.00 0.00 C ATOM 0 H ILE A 84 -1.955 -8.092 -6.959 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.891 -10.477 -7.989 1.00 0.00 H new ATOM 0 HB ILE A 84 0.573 -8.179 -6.623 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -0.913 -7.215 -8.252 1.00 0.00 H new ATOM 0 HG13 ILE A 84 0.717 -7.179 -8.894 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.398 -8.789 -8.158 1.00 0.00 H new ATOM 0 HG22 ILE A 84 1.958 -10.141 -7.088 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.417 -10.136 -8.783 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.890 -7.839 -10.617 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.233 -9.174 -10.268 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.422 -9.210 -9.615 1.00 0.00 H new ATOM 1193 N VAL A 85 -0.697 -10.076 -4.748 1.00 0.00 N ATOM 1194 CA VAL A 85 -0.364 -10.735 -3.491 1.00 0.00 C ATOM 1195 C VAL A 85 -1.579 -11.450 -2.906 1.00 0.00 C ATOM 1196 O VAL A 85 -2.705 -11.259 -3.367 1.00 0.00 O ATOM 1197 CB VAL A 85 0.164 -9.726 -2.454 1.00 0.00 C ATOM 1198 CG1 VAL A 85 1.541 -9.218 -2.853 1.00 0.00 C ATOM 1199 CG2 VAL A 85 -0.812 -8.570 -2.292 1.00 0.00 C ATOM 0 H VAL A 85 -1.221 -9.207 -4.641 1.00 0.00 H new ATOM 0 HA VAL A 85 0.415 -11.465 -3.713 1.00 0.00 H new ATOM 0 HB VAL A 85 0.255 -10.234 -1.494 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.896 -8.506 -2.108 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.235 -10.057 -2.914 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.480 -8.726 -3.824 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.424 -7.866 -1.556 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.937 -8.062 -3.248 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.776 -8.952 -1.956 1.00 0.00 H new ATOM 1209 N ARG A 86 -1.344 -12.269 -1.886 1.00 0.00 N ATOM 1210 CA ARG A 86 -2.415 -13.007 -1.229 1.00 0.00 C ATOM 1211 C ARG A 86 -2.328 -12.841 0.284 1.00 0.00 C ATOM 1212 O ARG A 86 -1.448 -13.408 0.931 1.00 0.00 O ATOM 1213 CB ARG A 86 -2.345 -14.491 -1.596 1.00 0.00 C ATOM 1214 CG ARG A 86 -3.487 -15.314 -1.022 1.00 0.00 C ATOM 1215 CD ARG A 86 -3.279 -16.802 -1.259 1.00 0.00 C ATOM 1216 NE ARG A 86 -4.507 -17.462 -1.696 1.00 0.00 N ATOM 1217 CZ ARG A 86 -4.717 -18.774 -1.606 1.00 0.00 C ATOM 1218 NH1 ARG A 86 -3.785 -19.569 -1.096 1.00 0.00 N ATOM 1219 NH2 ARG A 86 -5.862 -19.292 -2.027 1.00 0.00 N ATOM 0 H ARG A 86 -0.417 -12.438 -1.496 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.368 -12.604 -1.572 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.348 -14.589 -2.682 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.399 -14.900 -1.241 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.571 -15.124 0.048 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.427 -15.000 -1.477 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.503 -16.945 -2.011 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.923 -17.269 -0.341 1.00 0.00 H new ATOM 0 HE ARG A 86 -5.247 -16.884 -2.094 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.902 -19.176 -0.770 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.952 -20.573 -1.030 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -6.582 -18.686 -2.420 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -6.023 -20.297 -1.958 1.00 0.00 H new ATOM 1233 N GLU A 87 -3.239 -12.051 0.841 1.00 0.00 N ATOM 1234 CA GLU A 87 -3.258 -11.802 2.278 1.00 0.00 C ATOM 1235 C GLU A 87 -3.701 -13.039 3.047 1.00 0.00 C ATOM 1236 O GLU A 87 -4.705 -13.667 2.716 1.00 0.00 O ATOM 1237 CB GLU A 87 -4.184 -10.628 2.606 1.00 0.00 C ATOM 1238 CG GLU A 87 -4.117 -9.493 1.596 1.00 0.00 C ATOM 1239 CD GLU A 87 -5.388 -9.367 0.776 1.00 0.00 C ATOM 1240 OE1 GLU A 87 -5.564 -10.162 -0.170 1.00 0.00 O ATOM 1241 OE2 GLU A 87 -6.205 -8.473 1.082 1.00 0.00 O ATOM 0 H GLU A 87 -3.974 -11.572 0.320 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.242 -11.553 2.584 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -5.210 -10.991 2.663 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.928 -10.240 3.592 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.933 -8.555 2.120 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -3.272 -9.656 0.927 1.00 0.00 H new ATOM 1248 N ASP A 88 -2.942 -13.376 4.085 1.00 0.00 N ATOM 1249 CA ASP A 88 -3.251 -14.531 4.917 1.00 0.00 C ATOM 1250 C ASP A 88 -3.433 -14.109 6.366 1.00 0.00 C ATOM 1251 O ASP A 88 -4.403 -14.484 7.023 1.00 0.00 O ATOM 1252 CB ASP A 88 -2.142 -15.581 4.808 1.00 0.00 C ATOM 1253 CG ASP A 88 -2.688 -16.974 4.563 1.00 0.00 C ATOM 1254 OD1 ASP A 88 -3.069 -17.269 3.412 1.00 0.00 O ATOM 1255 OD2 ASP A 88 -2.734 -17.771 5.525 1.00 0.00 O ATOM 0 H ASP A 88 -2.107 -12.864 4.369 1.00 0.00 H new ATOM 0 HA ASP A 88 -4.183 -14.970 4.562 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -1.467 -15.310 3.996 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -1.553 -15.580 5.725 1.00 0.00 H new ATOM 1260 N GLN A 89 -2.486 -13.326 6.851 1.00 0.00 N ATOM 1261 CA GLN A 89 -2.510 -12.835 8.211 1.00 0.00 C ATOM 1262 C GLN A 89 -2.952 -11.378 8.240 1.00 0.00 C ATOM 1263 O GLN A 89 -2.764 -10.649 7.267 1.00 0.00 O ATOM 1264 CB GLN A 89 -1.116 -12.973 8.799 1.00 0.00 C ATOM 1265 CG GLN A 89 -1.074 -12.885 10.316 1.00 0.00 C ATOM 1266 CD GLN A 89 -0.224 -13.974 10.940 1.00 0.00 C ATOM 1267 OE1 GLN A 89 -0.591 -14.554 11.962 1.00 0.00 O ATOM 1268 NE2 GLN A 89 0.921 -14.256 10.328 1.00 0.00 N ATOM 0 H GLN A 89 -1.679 -13.014 6.310 1.00 0.00 H new ATOM 0 HA GLN A 89 -3.220 -13.415 8.800 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -0.695 -13.929 8.489 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -0.478 -12.194 8.382 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -0.682 -11.911 10.609 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -2.089 -12.952 10.708 1.00 0.00 H new ATOM 0 HE21 GLN A 89 1.186 -13.750 9.483 1.00 0.00 H new ATOM 0 HE22 GLN A 89 1.535 -14.979 10.703 1.00 0.00 H new ATOM 1277 N THR A 90 -3.539 -10.954 9.352 1.00 0.00 N ATOM 1278 CA THR A 90 -3.999 -9.578 9.479 1.00 0.00 C ATOM 1279 C THR A 90 -3.679 -9.001 10.847 1.00 0.00 C ATOM 1280 O THR A 90 -3.623 -9.718 11.846 1.00 0.00 O ATOM 1281 CB THR A 90 -5.497 -9.475 9.219 1.00 0.00 C ATOM 1282 OG1 THR A 90 -6.188 -10.568 9.797 1.00 0.00 O ATOM 1283 CG2 THR A 90 -5.849 -9.428 7.750 1.00 0.00 C ATOM 0 H THR A 90 -3.707 -11.537 10.172 1.00 0.00 H new ATOM 0 HA THR A 90 -3.465 -8.997 8.727 1.00 0.00 H new ATOM 0 HB THR A 90 -5.802 -8.534 9.677 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.148 -10.480 9.619 1.00 0.00 H new ATOM 0 HG21 THR A 90 -6.931 -9.355 7.637 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.377 -8.560 7.290 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.494 -10.335 7.262 1.00 0.00 H new ATOM 1291 N LEU A 91 -3.468 -7.692 10.876 1.00 0.00 N ATOM 1292 CA LEU A 91 -3.152 -6.991 12.110 1.00 0.00 C ATOM 1293 C LEU A 91 -3.636 -5.545 12.051 1.00 0.00 C ATOM 1294 O LEU A 91 -2.964 -4.637 12.537 1.00 0.00 O ATOM 1295 CB LEU A 91 -1.642 -7.029 12.359 1.00 0.00 C ATOM 1296 CG LEU A 91 -1.232 -7.189 13.824 1.00 0.00 C ATOM 1297 CD1 LEU A 91 0.282 -7.275 13.949 1.00 0.00 C ATOM 1298 CD2 LEU A 91 -1.773 -6.035 14.655 1.00 0.00 C ATOM 0 H LEU A 91 -3.511 -7.092 10.052 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.665 -7.491 12.932 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.215 -7.852 11.786 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.202 -6.110 11.973 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.659 -8.117 14.203 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.555 -7.389 14.998 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.645 -8.134 13.385 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.732 -6.364 13.554 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.473 -6.163 15.695 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.373 -5.095 14.275 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.861 -6.019 14.591 1.00 0.00 H new ATOM 1310 N LYS A 92 -4.804 -5.336 11.443 1.00 0.00 N ATOM 1311 CA LYS A 92 -5.372 -3.995 11.316 1.00 0.00 C ATOM 1312 C LYS A 92 -6.227 -3.632 12.530 1.00 0.00 C ATOM 1313 O LYS A 92 -7.354 -4.110 12.665 1.00 0.00 O ATOM 1314 CB LYS A 92 -6.227 -3.895 10.050 1.00 0.00 C ATOM 1315 CG LYS A 92 -7.350 -4.918 9.994 1.00 0.00 C ATOM 1316 CD LYS A 92 -7.382 -5.647 8.660 1.00 0.00 C ATOM 1317 CE LYS A 92 -8.157 -6.951 8.757 1.00 0.00 C ATOM 1318 NZ LYS A 92 -9.543 -6.814 8.232 1.00 0.00 N ATOM 0 H LYS A 92 -5.373 -6.076 11.032 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.540 -3.294 11.254 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.655 -2.894 9.988 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -5.586 -4.022 9.177 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -7.224 -5.641 10.800 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -8.305 -4.419 10.159 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -7.838 -5.007 7.905 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -6.363 -5.852 8.331 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -7.633 -7.727 8.199 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -8.193 -7.275 9.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -10.038 -7.725 8.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -10.052 -6.092 8.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -9.509 -6.530 7.232 1.00 0.00 H new ATOM 1332 N PRO A 93 -5.714 -2.769 13.427 1.00 0.00 N ATOM 1333 CA PRO A 93 -6.454 -2.341 14.617 1.00 0.00 C ATOM 1334 C PRO A 93 -7.580 -1.369 14.272 1.00 0.00 C ATOM 1335 O PRO A 93 -8.528 -1.202 15.040 1.00 0.00 O ATOM 1336 CB PRO A 93 -5.388 -1.643 15.461 1.00 0.00 C ATOM 1337 CG PRO A 93 -4.412 -1.123 14.465 1.00 0.00 C ATOM 1338 CD PRO A 93 -4.383 -2.134 13.350 1.00 0.00 C ATOM 0 HA PRO A 93 -6.939 -3.176 15.123 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.817 -0.837 16.056 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -4.915 -2.336 16.157 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -4.715 -0.143 14.096 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.424 -1.005 14.911 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.220 -1.660 12.382 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.583 -2.861 13.488 1.00 0.00 H new ATOM 1346 N GLY A 94 -7.468 -0.727 13.110 1.00 0.00 N ATOM 1347 CA GLY A 94 -8.479 0.222 12.682 1.00 0.00 C ATOM 1348 C GLY A 94 -8.703 0.195 11.181 1.00 0.00 C ATOM 1349 O GLY A 94 -7.918 -0.399 10.441 1.00 0.00 O ATOM 0 H GLY A 94 -6.693 -0.849 12.458 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.418 0.002 13.190 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.181 1.226 12.984 1.00 0.00 H new ATOM 1353 N LYS A 95 -9.768 0.849 10.731 1.00 0.00 N ATOM 1354 CA LYS A 95 -10.090 0.914 9.321 1.00 0.00 C ATOM 1355 C LYS A 95 -10.844 2.199 9.010 1.00 0.00 C ATOM 1356 O LYS A 95 -11.913 2.176 8.400 1.00 0.00 O ATOM 1357 CB LYS A 95 -10.909 -0.305 8.895 1.00 0.00 C ATOM 1358 CG LYS A 95 -12.027 -0.659 9.865 1.00 0.00 C ATOM 1359 CD LYS A 95 -11.692 -1.899 10.680 1.00 0.00 C ATOM 1360 CE LYS A 95 -12.880 -2.843 10.771 1.00 0.00 C ATOM 1361 NZ LYS A 95 -12.454 -4.249 11.015 1.00 0.00 N ATOM 0 H LYS A 95 -10.425 1.344 11.334 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.158 0.911 8.755 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -11.339 -0.117 7.911 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -10.243 -1.162 8.793 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -12.206 0.181 10.537 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -12.951 -0.826 9.311 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -10.848 -2.417 10.225 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -11.382 -1.604 11.683 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -13.541 -2.519 11.575 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -13.455 -2.793 9.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -13.293 -4.861 11.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -11.844 -4.567 10.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -11.927 -4.302 11.910 1.00 0.00 H new ATOM 1375 N VAL A 96 -10.284 3.319 9.446 1.00 0.00 N ATOM 1376 CA VAL A 96 -10.900 4.619 9.229 1.00 0.00 C ATOM 1377 C VAL A 96 -10.332 5.292 7.989 1.00 0.00 C ATOM 1378 O VAL A 96 -9.134 5.213 7.720 1.00 0.00 O ATOM 1379 CB VAL A 96 -10.700 5.552 10.439 1.00 0.00 C ATOM 1380 CG1 VAL A 96 -11.628 6.753 10.347 1.00 0.00 C ATOM 1381 CG2 VAL A 96 -10.922 4.797 11.742 1.00 0.00 C ATOM 0 H VAL A 96 -9.400 3.352 9.954 1.00 0.00 H new ATOM 0 HA VAL A 96 -11.967 4.441 9.092 1.00 0.00 H new ATOM 0 HB VAL A 96 -9.672 5.914 10.427 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -11.472 7.400 11.210 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -11.415 7.308 9.434 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -12.663 6.412 10.331 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -10.776 5.474 12.584 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.938 4.403 11.765 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -10.211 3.973 11.811 1.00 0.00 H new ATOM 1391 N ASP A 97 -11.201 5.955 7.240 1.00 0.00 N ATOM 1392 CA ASP A 97 -10.797 6.644 6.028 1.00 0.00 C ATOM 1393 C ASP A 97 -10.111 7.963 6.358 1.00 0.00 C ATOM 1394 O ASP A 97 -10.391 8.586 7.382 1.00 0.00 O ATOM 1395 CB ASP A 97 -12.009 6.895 5.129 1.00 0.00 C ATOM 1396 CG ASP A 97 -11.614 7.357 3.741 1.00 0.00 C ATOM 1397 OD1 ASP A 97 -10.523 6.967 3.274 1.00 0.00 O ATOM 1398 OD2 ASP A 97 -12.394 8.110 3.122 1.00 0.00 O ATOM 0 H ASP A 97 -12.196 6.029 7.454 1.00 0.00 H new ATOM 0 HA ASP A 97 -10.088 6.009 5.497 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -12.596 5.980 5.051 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -12.650 7.646 5.590 1.00 0.00 H new ATOM 1403 N VAL A 98 -9.209 8.371 5.483 1.00 0.00 N ATOM 1404 CA VAL A 98 -8.464 9.610 5.663 1.00 0.00 C ATOM 1405 C VAL A 98 -8.197 10.286 4.323 1.00 0.00 C ATOM 1406 O VAL A 98 -7.489 9.746 3.474 1.00 0.00 O ATOM 1407 CB VAL A 98 -7.121 9.355 6.373 1.00 0.00 C ATOM 1408 CG1 VAL A 98 -6.477 10.668 6.790 1.00 0.00 C ATOM 1409 CG2 VAL A 98 -7.319 8.442 7.572 1.00 0.00 C ATOM 0 H VAL A 98 -8.972 7.859 4.633 1.00 0.00 H new ATOM 0 HA VAL A 98 -9.077 10.265 6.283 1.00 0.00 H new ATOM 0 HB VAL A 98 -6.449 8.858 5.674 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -5.530 10.466 7.290 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -6.298 11.282 5.907 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -7.141 11.198 7.472 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -6.360 8.272 8.062 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -8.008 8.909 8.275 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.730 7.489 7.240 1.00 0.00 H new ATOM 1419 N LYS A 99 -8.768 11.471 4.139 1.00 0.00 N ATOM 1420 CA LYS A 99 -8.591 12.218 2.899 1.00 0.00 C ATOM 1421 C LYS A 99 -7.119 12.551 2.670 1.00 0.00 C ATOM 1422 O LYS A 99 -6.522 13.321 3.422 1.00 0.00 O ATOM 1423 CB LYS A 99 -9.420 13.503 2.930 1.00 0.00 C ATOM 1424 CG LYS A 99 -10.153 13.785 1.628 1.00 0.00 C ATOM 1425 CD LYS A 99 -9.411 14.803 0.778 1.00 0.00 C ATOM 1426 CE LYS A 99 -10.000 16.195 0.934 1.00 0.00 C ATOM 1427 NZ LYS A 99 -11.468 16.207 0.685 1.00 0.00 N ATOM 0 H LYS A 99 -9.356 11.935 4.831 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.935 11.593 2.075 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -10.147 13.437 3.740 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -8.764 14.343 3.158 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.270 12.858 1.067 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.155 14.154 1.846 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -8.359 14.818 1.063 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -9.454 14.504 -0.269 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.799 16.564 1.940 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -9.508 16.877 0.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -11.748 17.133 0.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -11.710 15.462 0.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -11.973 16.035 1.578 1.00 0.00 H new ATOM 1441 N THR A 100 -6.541 11.962 1.628 1.00 0.00 N ATOM 1442 CA THR A 100 -5.140 12.191 1.299 1.00 0.00 C ATOM 1443 C THR A 100 -4.957 13.525 0.580 1.00 0.00 C ATOM 1444 O THR A 100 -5.917 14.104 0.073 1.00 0.00 O ATOM 1445 CB THR A 100 -4.611 11.046 0.433 1.00 0.00 C ATOM 1446 OG1 THR A 100 -3.200 11.103 0.331 1.00 0.00 O ATOM 1447 CG2 THR A 100 -5.174 11.042 -0.974 1.00 0.00 C ATOM 0 H THR A 100 -7.023 11.322 0.997 1.00 0.00 H new ATOM 0 HA THR A 100 -4.572 12.227 2.229 1.00 0.00 H new ATOM 0 HB THR A 100 -4.935 10.135 0.937 1.00 0.00 H new ATOM 0 HG1 THR A 100 -2.882 10.361 -0.225 1.00 0.00 H new ATOM 0 HG21 THR A 100 -4.756 10.204 -1.531 1.00 0.00 H new ATOM 0 HG22 THR A 100 -6.259 10.944 -0.932 1.00 0.00 H new ATOM 0 HG23 THR A 100 -4.913 11.975 -1.473 1.00 0.00 H new ATOM 1455 N ASP A 101 -3.718 14.003 0.537 1.00 0.00 N ATOM 1456 CA ASP A 101 -3.408 15.268 -0.121 1.00 0.00 C ATOM 1457 C ASP A 101 -2.341 15.075 -1.193 1.00 0.00 C ATOM 1458 O ASP A 101 -2.627 15.153 -2.388 1.00 0.00 O ATOM 1459 CB ASP A 101 -2.936 16.299 0.906 1.00 0.00 C ATOM 1460 CG ASP A 101 -4.080 17.122 1.464 1.00 0.00 C ATOM 1461 OD1 ASP A 101 -5.201 16.583 1.578 1.00 0.00 O ATOM 1462 OD2 ASP A 101 -3.855 18.309 1.787 1.00 0.00 O ATOM 0 H ASP A 101 -2.912 13.534 0.950 1.00 0.00 H new ATOM 0 HA ASP A 101 -4.317 15.633 -0.600 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -2.427 15.788 1.723 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -2.207 16.963 0.442 1.00 0.00 H new ATOM 1467 N LYS A 102 -1.110 14.823 -0.760 1.00 0.00 N ATOM 1468 CA LYS A 102 0.000 14.619 -1.684 1.00 0.00 C ATOM 1469 C LYS A 102 0.741 13.315 -1.385 1.00 0.00 C ATOM 1470 O LYS A 102 1.773 13.029 -1.993 1.00 0.00 O ATOM 1471 CB LYS A 102 0.973 15.797 -1.610 1.00 0.00 C ATOM 1472 CG LYS A 102 0.333 17.136 -1.937 1.00 0.00 C ATOM 1473 CD LYS A 102 1.319 18.279 -1.769 1.00 0.00 C ATOM 1474 CE LYS A 102 1.413 18.726 -0.319 1.00 0.00 C ATOM 1475 NZ LYS A 102 2.301 17.836 0.479 1.00 0.00 N ATOM 0 H LYS A 102 -0.856 14.755 0.225 1.00 0.00 H new ATOM 0 HA LYS A 102 -0.413 14.553 -2.691 1.00 0.00 H new ATOM 0 HB2 LYS A 102 1.400 15.843 -0.608 1.00 0.00 H new ATOM 0 HB3 LYS A 102 1.798 15.620 -2.300 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -0.039 17.122 -2.961 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -0.527 17.298 -1.288 1.00 0.00 H new ATOM 0 HD2 LYS A 102 2.303 17.966 -2.119 1.00 0.00 H new ATOM 0 HD3 LYS A 102 1.012 19.120 -2.391 1.00 0.00 H new ATOM 0 HE2 LYS A 102 1.791 19.748 -0.278 1.00 0.00 H new ATOM 0 HE3 LYS A 102 0.417 18.736 0.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 2.908 18.413 1.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 1.721 17.200 1.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 2.895 17.272 -0.162 1.00 0.00 H new ATOM 1489 N TRP A 103 0.215 12.529 -0.449 1.00 0.00 N ATOM 1490 CA TRP A 103 0.833 11.262 -0.077 1.00 0.00 C ATOM 1491 C TRP A 103 1.044 10.360 -1.288 1.00 0.00 C ATOM 1492 O TRP A 103 1.902 9.477 -1.275 1.00 0.00 O ATOM 1493 CB TRP A 103 -0.020 10.559 0.962 1.00 0.00 C ATOM 1494 CG TRP A 103 0.467 10.846 2.327 1.00 0.00 C ATOM 1495 CD1 TRP A 103 -0.180 11.536 3.296 1.00 0.00 C ATOM 1496 CD2 TRP A 103 1.736 10.477 2.869 1.00 0.00 C ATOM 1497 NE1 TRP A 103 0.604 11.607 4.406 1.00 0.00 N ATOM 1498 CE2 TRP A 103 1.772 10.968 4.175 1.00 0.00 C ATOM 1499 CE3 TRP A 103 2.840 9.777 2.383 1.00 0.00 C ATOM 1500 CZ2 TRP A 103 2.847 10.795 5.013 1.00 0.00 C ATOM 1501 CZ3 TRP A 103 3.930 9.598 3.219 1.00 0.00 C ATOM 1502 CH2 TRP A 103 3.926 10.106 4.527 1.00 0.00 C ATOM 0 H TRP A 103 -0.638 12.748 0.065 1.00 0.00 H new ATOM 0 HA TRP A 103 1.815 11.477 0.345 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -1.057 10.882 0.866 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -0.004 9.484 0.784 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -1.167 11.964 3.202 1.00 0.00 H new ATOM 0 HE1 TRP A 103 0.349 12.071 5.278 1.00 0.00 H new ATOM 0 HE3 TRP A 103 2.845 9.383 1.377 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 2.841 11.188 6.019 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 4.795 9.060 2.859 1.00 0.00 H new ATOM 0 HH2 TRP A 103 4.787 9.951 5.160 1.00 0.00 H new ATOM 1513 N ASP A 104 0.257 10.588 -2.331 1.00 0.00 N ATOM 1514 CA ASP A 104 0.355 9.798 -3.552 1.00 0.00 C ATOM 1515 C ASP A 104 0.308 10.694 -4.786 1.00 0.00 C ATOM 1516 O ASP A 104 -0.709 10.766 -5.476 1.00 0.00 O ATOM 1517 CB ASP A 104 -0.775 8.769 -3.611 1.00 0.00 C ATOM 1518 CG ASP A 104 -0.357 7.489 -4.309 1.00 0.00 C ATOM 1519 OD1 ASP A 104 -0.399 7.452 -5.557 1.00 0.00 O ATOM 1520 OD2 ASP A 104 0.012 6.524 -3.608 1.00 0.00 O ATOM 0 H ASP A 104 -0.458 11.315 -2.356 1.00 0.00 H new ATOM 0 HA ASP A 104 1.312 9.276 -3.541 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -1.104 8.536 -2.598 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -1.629 9.201 -4.132 1.00 0.00 H new ATOM 1525 N PHE A 105 1.415 11.377 -5.058 1.00 0.00 N ATOM 1526 CA PHE A 105 1.501 12.269 -6.207 1.00 0.00 C ATOM 1527 C PHE A 105 1.846 11.493 -7.474 1.00 0.00 C ATOM 1528 O PHE A 105 2.782 10.694 -7.488 1.00 0.00 O ATOM 1529 CB PHE A 105 2.549 13.355 -5.960 1.00 0.00 C ATOM 1530 CG PHE A 105 3.924 12.812 -5.693 1.00 0.00 C ATOM 1531 CD1 PHE A 105 4.798 12.557 -6.737 1.00 0.00 C ATOM 1532 CD2 PHE A 105 4.341 12.555 -4.397 1.00 0.00 C ATOM 1533 CE1 PHE A 105 6.062 12.057 -6.494 1.00 0.00 C ATOM 1534 CE2 PHE A 105 5.605 12.055 -4.147 1.00 0.00 C ATOM 1535 CZ PHE A 105 6.467 11.805 -5.197 1.00 0.00 C ATOM 0 H PHE A 105 2.266 11.329 -4.497 1.00 0.00 H new ATOM 0 HA PHE A 105 0.527 12.738 -6.343 1.00 0.00 H new ATOM 0 HB2 PHE A 105 2.589 14.014 -6.828 1.00 0.00 H new ATOM 0 HB3 PHE A 105 2.237 13.964 -5.112 1.00 0.00 H new ATOM 0 HD1 PHE A 105 4.487 12.752 -7.753 1.00 0.00 H new ATOM 0 HD2 PHE A 105 3.671 12.748 -3.573 1.00 0.00 H new ATOM 0 HE1 PHE A 105 6.734 11.863 -7.317 1.00 0.00 H new ATOM 0 HE2 PHE A 105 5.918 11.860 -3.132 1.00 0.00 H new ATOM 0 HZ PHE A 105 7.455 11.414 -5.005 1.00 0.00 H new ATOM 1545 N TYR A 106 1.084 11.734 -8.536 1.00 0.00 N ATOM 1546 CA TYR A 106 1.309 11.057 -9.807 1.00 0.00 C ATOM 1547 C TYR A 106 2.570 11.581 -10.486 1.00 0.00 C ATOM 1548 O TYR A 106 2.556 12.640 -11.113 1.00 0.00 O ATOM 1549 CB TYR A 106 0.102 11.241 -10.729 1.00 0.00 C ATOM 1550 CG TYR A 106 -0.422 9.947 -11.307 1.00 0.00 C ATOM 1551 CD1 TYR A 106 -0.809 8.899 -10.481 1.00 0.00 C ATOM 1552 CD2 TYR A 106 -0.530 9.771 -12.681 1.00 0.00 C ATOM 1553 CE1 TYR A 106 -1.288 7.715 -11.007 1.00 0.00 C ATOM 1554 CE2 TYR A 106 -1.007 8.590 -13.215 1.00 0.00 C ATOM 1555 CZ TYR A 106 -1.386 7.564 -12.374 1.00 0.00 C ATOM 1556 OH TYR A 106 -1.862 6.387 -12.901 1.00 0.00 O ATOM 0 H TYR A 106 0.306 12.393 -8.541 1.00 0.00 H new ATOM 0 HA TYR A 106 1.442 9.994 -9.606 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -0.698 11.731 -10.173 1.00 0.00 H new ATOM 0 HB3 TYR A 106 0.378 11.908 -11.546 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -0.734 9.012 -9.410 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -0.236 10.572 -13.343 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -1.585 6.911 -10.350 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -1.083 8.470 -14.286 1.00 0.00 H new ATOM 0 HH TYR A 106 -1.868 6.445 -13.879 1.00 0.00 H new ATOM 1566 N CYS A 107 3.661 10.832 -10.357 1.00 0.00 N ATOM 1567 CA CYS A 107 4.931 11.221 -10.958 1.00 0.00 C ATOM 1568 C CYS A 107 4.803 11.340 -12.473 1.00 0.00 C ATOM 1569 O CYS A 107 4.373 10.403 -13.145 1.00 0.00 O ATOM 1570 CB CYS A 107 6.019 10.205 -10.604 1.00 0.00 C ATOM 1571 SG CYS A 107 5.545 8.472 -10.905 1.00 0.00 S ATOM 0 H CYS A 107 3.690 9.952 -9.842 1.00 0.00 H new ATOM 0 HA CYS A 107 5.210 12.196 -10.558 1.00 0.00 H new ATOM 0 HB2 CYS A 107 6.914 10.431 -11.183 1.00 0.00 H new ATOM 0 HB3 CYS A 107 6.281 10.321 -9.552 1.00 0.00 H new ATOM 1576 N GLN A 108 5.179 12.500 -13.003 1.00 0.00 N ATOM 1577 CA GLN A 108 5.107 12.742 -14.440 1.00 0.00 C ATOM 1578 C GLN A 108 6.177 11.947 -15.180 1.00 0.00 C ATOM 1579 O GLN A 108 7.274 11.762 -14.613 1.00 0.00 O ATOM 1580 CB GLN A 108 5.268 14.234 -14.734 1.00 0.00 C ATOM 1581 CG GLN A 108 3.994 15.036 -14.529 1.00 0.00 C ATOM 1582 CD GLN A 108 4.133 16.477 -14.979 1.00 0.00 C ATOM 1583 OE1 GLN A 108 3.514 16.897 -15.957 1.00 0.00 O ATOM 1584 NE2 GLN A 108 4.947 17.243 -14.264 1.00 0.00 N ATOM 1585 OXT GLN A 108 5.909 11.514 -16.322 1.00 0.00 O ATOM 0 H GLN A 108 5.536 13.286 -12.460 1.00 0.00 H new ATOM 0 HA GLN A 108 4.129 12.413 -14.791 1.00 0.00 H new ATOM 0 HB2 GLN A 108 6.050 14.640 -14.092 1.00 0.00 H new ATOM 0 HB3 GLN A 108 5.604 14.359 -15.763 1.00 0.00 H new ATOM 0 HG2 GLN A 108 3.180 14.564 -15.079 1.00 0.00 H new ATOM 0 HG3 GLN A 108 3.721 15.014 -13.474 1.00 0.00 H new ATOM 0 HE21 GLN A 108 5.440 16.853 -13.461 1.00 0.00 H new ATOM 0 HE22 GLN A 108 5.080 18.222 -14.517 1.00 0.00 H new TER 1594 GLN A 108