USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=20 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 Single : A 11 LYS NZ :NH3+ -130:sc= -1.3 (180deg=-5.11!) USER MOD Single : A 16 GLN : amide:sc= -0.133 X(o=-0.13,f=0) USER MOD Single : A 19 SER OG : rot 6:sc= 1.09 USER MOD Single : A 20 HIS : no HD1:sc= -2.08 X(o=-2.1,f=-1.8) USER MOD Single : A 23 SER OG : rot -140:sc= -1.25 USER MOD Single : A 24 MET CE :methyl -159:sc= 0 (180deg=-0.174) USER MOD Single : A 29 GLN : amide:sc= -0.246 K(o=-0.25,f=-2.4!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -124:sc= -0.0525 (180deg=-0.108) USER MOD Single : A 40 THR OG1 : rot -170:sc= -2.04! USER MOD Single : A 42 HIS : no HD1:sc= -0.14 K(o=-0.14,f=-1.9) USER MOD Single : A 45 GLN : amide:sc= -2.37 K(o=-2.4,f=-3.3!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -5:sc= 1.01 USER MOD Single : A 52 LYS NZ :NH3+ 174:sc= 0.384 (180deg=0.378) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= -0.0539 USER MOD Single : A 66 GLN : amide:sc= -0.215 K(o=-0.21,f=-2.1!) 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 79 TYR OH : rot -148:sc= 1.58 USER MOD Single : A 82 SER OG : rot -146:sc= 1.79 USER MOD Single : A 83 SER OG : rot 180:sc= -0.778 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0.15) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.015 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+ 173:sc= 0 (180deg=-0.0578) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= -0.283 K(o=-0.28,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 8 -11.694 13.232 -5.489 1.00 0.00 N ATOM 2 CA ALA A 8 -11.390 13.100 -4.069 1.00 0.00 C ATOM 3 C ALA A 8 -10.509 11.883 -3.807 1.00 0.00 C ATOM 4 O ALA A 8 -10.913 10.747 -4.054 1.00 0.00 O ATOM 5 CB ALA A 8 -12.676 13.004 -3.260 1.00 0.00 C ATOM 0 HA ALA A 8 -10.841 13.989 -3.757 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.434 12.906 -2.202 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -13.271 13.904 -3.414 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.246 12.133 -3.584 1.00 0.00 H new ATOM 11 N ASP A 9 -9.304 12.129 -3.306 1.00 0.00 N ATOM 12 CA ASP A 9 -8.366 11.053 -3.009 1.00 0.00 C ATOM 13 C ASP A 9 -8.315 10.776 -1.511 1.00 0.00 C ATOM 14 O ASP A 9 -7.839 11.602 -0.733 1.00 0.00 O ATOM 15 CB ASP A 9 -6.969 11.407 -3.524 1.00 0.00 C ATOM 16 CG ASP A 9 -6.252 10.212 -4.120 1.00 0.00 C ATOM 17 OD1 ASP A 9 -5.977 9.251 -3.371 1.00 0.00 O ATOM 18 OD2 ASP A 9 -5.964 10.237 -5.335 1.00 0.00 O ATOM 0 H ASP A 9 -8.954 13.064 -3.097 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.713 10.152 -3.515 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.050 12.191 -4.277 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.375 11.812 -2.705 1.00 0.00 H new ATOM 23 N ARG A 10 -8.807 9.607 -1.112 1.00 0.00 N ATOM 24 CA ARG A 10 -8.815 9.223 0.294 1.00 0.00 C ATOM 25 C ARG A 10 -8.300 7.799 0.470 1.00 0.00 C ATOM 26 O ARG A 10 -8.338 6.996 -0.462 1.00 0.00 O ATOM 27 CB ARG A 10 -10.226 9.344 0.869 1.00 0.00 C ATOM 28 CG ARG A 10 -11.285 8.637 0.037 1.00 0.00 C ATOM 29 CD ARG A 10 -12.476 9.540 -0.245 1.00 0.00 C ATOM 30 NE ARG A 10 -13.705 9.026 0.353 1.00 0.00 N ATOM 31 CZ ARG A 10 -14.925 9.411 -0.014 1.00 0.00 C ATOM 32 NH1 ARG A 10 -15.083 10.313 -0.976 1.00 0.00 N ATOM 33 NH2 ARG A 10 -15.991 8.894 0.581 1.00 0.00 N ATOM 0 H ARG A 10 -9.205 8.911 -1.742 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.152 9.899 0.835 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -10.235 8.933 1.878 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -10.486 10.399 0.953 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -10.847 8.308 -0.905 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -11.623 7.743 0.561 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -12.274 10.538 0.143 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -12.610 9.638 -1.322 1.00 0.00 H new ATOM 0 HE ARG A 10 -13.624 8.331 1.095 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -14.267 10.714 -1.438 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -16.020 10.604 -1.253 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -15.876 8.201 1.320 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -16.926 9.189 0.299 1.00 0.00 H new ATOM 47 N LYS A 11 -7.815 7.493 1.669 1.00 0.00 N ATOM 48 CA LYS A 11 -7.289 6.163 1.959 1.00 0.00 C ATOM 49 C LYS A 11 -7.517 5.790 3.421 1.00 0.00 C ATOM 50 O LYS A 11 -7.397 6.629 4.311 1.00 0.00 O ATOM 51 CB LYS A 11 -5.794 6.109 1.632 1.00 0.00 C ATOM 52 CG LYS A 11 -5.142 4.772 1.950 1.00 0.00 C ATOM 53 CD LYS A 11 -3.626 4.893 2.012 1.00 0.00 C ATOM 54 CE LYS A 11 -2.956 4.114 0.889 1.00 0.00 C ATOM 55 NZ LYS A 11 -1.633 3.567 1.301 1.00 0.00 N ATOM 0 H LYS A 11 -7.775 8.145 2.453 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.821 5.443 1.337 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.656 6.327 0.573 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.282 6.894 2.189 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.518 4.400 2.903 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.419 4.041 1.191 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.341 5.943 1.948 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.270 4.525 2.974 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.605 3.296 0.578 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.826 4.764 0.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.918 3.815 0.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.361 3.972 2.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.696 2.532 1.384 1.00 0.00 H new ATOM 69 N LEU A 12 -7.858 4.528 3.659 1.00 0.00 N ATOM 70 CA LEU A 12 -8.118 4.047 5.005 1.00 0.00 C ATOM 71 C LEU A 12 -6.869 3.560 5.688 1.00 0.00 C ATOM 72 O LEU A 12 -5.999 2.928 5.090 1.00 0.00 O ATOM 73 CB LEU A 12 -9.154 2.941 4.965 1.00 0.00 C ATOM 74 CG LEU A 12 -10.517 3.463 4.581 1.00 0.00 C ATOM 75 CD1 LEU A 12 -10.967 2.891 3.246 1.00 0.00 C ATOM 76 CD2 LEU A 12 -11.542 3.180 5.669 1.00 0.00 C ATOM 0 H LEU A 12 -7.960 3.820 2.932 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.497 4.888 5.586 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.843 2.177 4.252 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.211 2.461 5.942 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.438 4.545 4.472 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.952 3.285 2.995 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.255 3.173 2.471 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.017 1.804 3.314 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.514 3.568 5.363 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.615 2.104 5.829 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.233 3.665 6.595 1.00 0.00 H new ATOM 88 N CYS A 13 -6.808 3.882 6.960 1.00 0.00 N ATOM 89 CA CYS A 13 -5.676 3.510 7.798 1.00 0.00 C ATOM 90 C CYS A 13 -6.116 2.613 8.947 1.00 0.00 C ATOM 91 O CYS A 13 -7.266 2.660 9.383 1.00 0.00 O ATOM 92 CB CYS A 13 -4.990 4.761 8.347 1.00 0.00 C ATOM 93 SG CYS A 13 -4.201 5.797 7.073 1.00 0.00 S ATOM 0 H CYS A 13 -7.535 4.407 7.447 1.00 0.00 H new ATOM 0 HA CYS A 13 -4.969 2.955 7.181 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.726 5.360 8.883 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.235 4.459 9.073 1.00 0.00 H new ATOM 98 N ALA A 14 -5.189 1.798 9.435 1.00 0.00 N ATOM 99 CA ALA A 14 -5.467 0.887 10.534 1.00 0.00 C ATOM 100 C ALA A 14 -5.438 1.612 11.876 1.00 0.00 C ATOM 101 O ALA A 14 -4.714 1.215 12.790 1.00 0.00 O ATOM 102 CB ALA A 14 -4.467 -0.259 10.524 1.00 0.00 C ATOM 0 H ALA A 14 -4.233 1.751 9.083 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.471 0.484 10.398 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.682 -0.937 11.350 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.544 -0.800 9.581 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.458 0.138 10.634 1.00 0.00 H new ATOM 108 N ASP A 15 -6.232 2.677 11.987 1.00 0.00 N ATOM 109 CA ASP A 15 -6.308 3.469 13.215 1.00 0.00 C ATOM 110 C ASP A 15 -6.929 4.833 12.935 1.00 0.00 C ATOM 111 O ASP A 15 -7.413 5.092 11.834 1.00 0.00 O ATOM 112 CB ASP A 15 -4.918 3.653 13.834 1.00 0.00 C ATOM 113 CG ASP A 15 -4.720 2.801 15.073 1.00 0.00 C ATOM 114 OD1 ASP A 15 -5.333 1.715 15.150 1.00 0.00 O ATOM 115 OD2 ASP A 15 -3.953 3.219 15.965 1.00 0.00 O ATOM 0 H ASP A 15 -6.835 3.013 11.236 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.938 2.929 13.922 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -4.158 3.398 13.096 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.774 4.702 14.091 1.00 0.00 H new ATOM 120 N GLN A 16 -6.908 5.704 13.938 1.00 0.00 N ATOM 121 CA GLN A 16 -7.464 7.045 13.799 1.00 0.00 C ATOM 122 C GLN A 16 -6.419 8.009 13.248 1.00 0.00 C ATOM 123 O GLN A 16 -6.650 8.685 12.246 1.00 0.00 O ATOM 124 CB GLN A 16 -7.983 7.549 15.148 1.00 0.00 C ATOM 125 CG GLN A 16 -9.464 7.287 15.366 1.00 0.00 C ATOM 126 CD GLN A 16 -9.719 6.170 16.360 1.00 0.00 C ATOM 127 OE1 GLN A 16 -10.282 6.394 17.432 1.00 0.00 O ATOM 128 NE2 GLN A 16 -9.304 4.960 16.008 1.00 0.00 N ATOM 0 H GLN A 16 -6.512 5.505 14.857 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.296 6.997 13.096 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -7.416 7.071 15.947 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -7.797 8.621 15.222 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -9.942 8.200 15.721 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -9.928 7.033 14.413 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.842 4.821 15.109 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.447 4.169 16.636 1.00 0.00 H new ATOM 137 N GLU A 17 -5.266 8.065 13.909 1.00 0.00 N ATOM 138 CA GLU A 17 -4.185 8.942 13.487 1.00 0.00 C ATOM 139 C GLU A 17 -3.424 8.357 12.296 1.00 0.00 C ATOM 140 O GLU A 17 -2.520 8.994 11.756 1.00 0.00 O ATOM 141 CB GLU A 17 -3.222 9.189 14.651 1.00 0.00 C ATOM 142 CG GLU A 17 -3.464 10.506 15.371 1.00 0.00 C ATOM 143 CD GLU A 17 -3.214 11.709 14.482 1.00 0.00 C ATOM 144 OE1 GLU A 17 -2.313 11.633 13.620 1.00 0.00 O ATOM 145 OE2 GLU A 17 -3.919 12.727 14.648 1.00 0.00 O ATOM 0 H GLU A 17 -5.059 7.511 14.740 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.626 9.889 13.175 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.312 8.371 15.366 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.199 9.172 14.275 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.491 10.534 15.734 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.815 10.563 16.245 1.00 0.00 H new ATOM 152 N CYS A 18 -3.792 7.142 11.889 1.00 0.00 N ATOM 153 CA CYS A 18 -3.141 6.480 10.764 1.00 0.00 C ATOM 154 C CYS A 18 -1.676 6.187 11.077 1.00 0.00 C ATOM 155 O CYS A 18 -0.788 6.959 10.716 1.00 0.00 O ATOM 156 CB CYS A 18 -3.245 7.341 9.503 1.00 0.00 C ATOM 157 SG CYS A 18 -2.564 6.553 8.007 1.00 0.00 S ATOM 0 H CYS A 18 -4.538 6.598 12.323 1.00 0.00 H new ATOM 0 HA CYS A 18 -3.652 5.533 10.589 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.293 7.585 9.328 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -2.723 8.282 9.675 1.00 0.00 H new ATOM 162 N SER A 19 -1.434 5.067 11.750 1.00 0.00 N ATOM 163 CA SER A 19 -0.077 4.671 12.112 1.00 0.00 C ATOM 164 C SER A 19 -0.048 3.239 12.638 1.00 0.00 C ATOM 165 O SER A 19 0.648 2.936 13.607 1.00 0.00 O ATOM 166 CB SER A 19 0.490 5.625 13.164 1.00 0.00 C ATOM 167 OG SER A 19 0.861 6.863 12.584 1.00 0.00 O ATOM 0 H SER A 19 -2.159 4.418 12.056 1.00 0.00 H new ATOM 0 HA SER A 19 0.540 4.720 11.215 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.252 5.794 13.944 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.357 5.170 13.642 1.00 0.00 H new ATOM 0 HG SER A 19 0.588 6.878 11.643 1.00 0.00 H new ATOM 173 N HIS A 20 -0.806 2.360 11.991 1.00 0.00 N ATOM 174 CA HIS A 20 -0.868 0.959 12.393 1.00 0.00 C ATOM 175 C HIS A 20 -0.956 0.045 11.172 1.00 0.00 C ATOM 176 O HIS A 20 -1.351 0.480 10.090 1.00 0.00 O ATOM 177 CB HIS A 20 -2.068 0.725 13.315 1.00 0.00 C ATOM 178 CG HIS A 20 -1.687 0.249 14.683 1.00 0.00 C ATOM 179 ND1 HIS A 20 -2.598 -0.274 15.577 1.00 0.00 N ATOM 180 CD2 HIS A 20 -0.486 0.216 15.308 1.00 0.00 C ATOM 181 CE1 HIS A 20 -1.974 -0.606 16.694 1.00 0.00 C ATOM 182 NE2 HIS A 20 -0.693 -0.319 16.556 1.00 0.00 N ATOM 0 H HIS A 20 -1.386 2.593 11.185 1.00 0.00 H new ATOM 0 HA HIS A 20 0.047 0.719 12.935 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.632 1.653 13.406 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -2.731 -0.008 12.856 1.00 0.00 H new ATOM 0 HD2 HIS A 20 0.458 0.548 14.901 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.434 -1.038 17.570 1.00 0.00 H new ATOM 0 HE2 HIS A 20 0.027 -0.470 17.262 1.00 0.00 H new ATOM 191 N PRO A 21 -0.585 -1.237 11.329 1.00 0.00 N ATOM 192 CA PRO A 21 -0.622 -2.211 10.235 1.00 0.00 C ATOM 193 C PRO A 21 -2.042 -2.655 9.899 1.00 0.00 C ATOM 194 O PRO A 21 -2.951 -2.536 10.720 1.00 0.00 O ATOM 195 CB PRO A 21 0.189 -3.385 10.783 1.00 0.00 C ATOM 196 CG PRO A 21 0.019 -3.303 12.259 1.00 0.00 C ATOM 197 CD PRO A 21 -0.098 -1.838 12.588 1.00 0.00 C ATOM 0 HA PRO A 21 -0.228 -1.797 9.307 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -0.177 -4.335 10.394 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.239 -3.308 10.500 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -0.870 -3.846 12.579 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.869 -3.751 12.774 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.793 -1.666 13.410 1.00 0.00 H new ATOM 0 HD3 PRO A 21 0.861 -1.417 12.889 1.00 0.00 H new ATOM 205 N ILE A 22 -2.223 -3.169 8.687 1.00 0.00 N ATOM 206 CA ILE A 22 -3.530 -3.634 8.238 1.00 0.00 C ATOM 207 C ILE A 22 -3.586 -5.154 8.209 1.00 0.00 C ATOM 208 O ILE A 22 -4.561 -5.764 8.646 1.00 0.00 O ATOM 209 CB ILE A 22 -3.867 -3.086 6.824 1.00 0.00 C ATOM 210 CG1 ILE A 22 -5.309 -2.577 6.786 1.00 0.00 C ATOM 211 CG2 ILE A 22 -3.643 -4.143 5.737 1.00 0.00 C ATOM 212 CD1 ILE A 22 -5.443 -1.112 7.138 1.00 0.00 C ATOM 0 H ILE A 22 -1.479 -3.274 7.997 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.266 -3.259 8.949 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.190 -2.257 6.618 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.717 -2.741 5.789 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.912 -3.165 7.478 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.890 -3.721 4.763 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -2.599 -4.456 5.743 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.281 -5.005 5.931 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.492 -0.821 7.090 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.065 -0.944 8.147 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.868 -0.514 6.431 1.00 0.00 H new ATOM 224 N SER A 23 -2.539 -5.749 7.660 1.00 0.00 N ATOM 225 CA SER A 23 -2.454 -7.191 7.527 1.00 0.00 C ATOM 226 C SER A 23 -1.158 -7.579 6.838 1.00 0.00 C ATOM 227 O SER A 23 -0.265 -6.752 6.651 1.00 0.00 O ATOM 228 CB SER A 23 -3.650 -7.712 6.721 1.00 0.00 C ATOM 229 OG SER A 23 -3.727 -7.078 5.455 1.00 0.00 O ATOM 0 H SER A 23 -1.729 -5.247 7.296 1.00 0.00 H new ATOM 0 HA SER A 23 -2.471 -7.638 8.521 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.560 -8.790 6.587 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.571 -7.536 7.276 1.00 0.00 H new ATOM 0 HG SER A 23 -4.664 -6.888 5.241 1.00 0.00 H new ATOM 235 N MET A 24 -1.070 -8.838 6.461 1.00 0.00 N ATOM 236 CA MET A 24 0.114 -9.352 5.782 1.00 0.00 C ATOM 237 C MET A 24 -0.281 -10.227 4.600 1.00 0.00 C ATOM 238 O MET A 24 -1.181 -11.061 4.707 1.00 0.00 O ATOM 239 CB MET A 24 0.985 -10.149 6.753 1.00 0.00 C ATOM 240 CG MET A 24 2.262 -10.685 6.125 1.00 0.00 C ATOM 241 SD MET A 24 2.717 -12.312 6.756 1.00 0.00 S ATOM 242 CE MET A 24 1.635 -13.363 5.791 1.00 0.00 C ATOM 0 H MET A 24 -1.804 -9.530 6.611 1.00 0.00 H new ATOM 0 HA MET A 24 0.687 -8.502 5.411 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.245 -9.514 7.600 1.00 0.00 H new ATOM 0 HB3 MET A 24 0.405 -10.984 7.147 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.135 -10.742 5.044 1.00 0.00 H new ATOM 0 HG3 MET A 24 3.076 -9.986 6.314 1.00 0.00 H new ATOM 0 HE1 MET A 24 1.513 -14.321 6.296 1.00 0.00 H new ATOM 0 HE2 MET A 24 0.662 -12.883 5.684 1.00 0.00 H new ATOM 0 HE3 MET A 24 2.070 -13.525 4.805 1.00 0.00 H new ATOM 252 N ALA A 25 0.394 -10.034 3.471 1.00 0.00 N ATOM 253 CA ALA A 25 0.102 -10.810 2.275 1.00 0.00 C ATOM 254 C ALA A 25 1.372 -11.182 1.527 1.00 0.00 C ATOM 255 O ALA A 25 2.331 -10.416 1.490 1.00 0.00 O ATOM 256 CB ALA A 25 -0.846 -10.045 1.364 1.00 0.00 C ATOM 0 H ALA A 25 1.143 -9.350 3.361 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.381 -11.735 2.590 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.054 -10.639 0.474 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.778 -9.846 1.893 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.386 -9.101 1.071 1.00 0.00 H new ATOM 262 N VAL A 26 1.364 -12.370 0.933 1.00 0.00 N ATOM 263 CA VAL A 26 2.513 -12.860 0.184 1.00 0.00 C ATOM 264 C VAL A 26 2.298 -12.708 -1.318 1.00 0.00 C ATOM 265 O VAL A 26 1.166 -12.728 -1.801 1.00 0.00 O ATOM 266 CB VAL A 26 2.799 -14.338 0.504 1.00 0.00 C ATOM 267 CG1 VAL A 26 4.090 -14.793 -0.160 1.00 0.00 C ATOM 268 CG2 VAL A 26 2.857 -14.557 2.008 1.00 0.00 C ATOM 0 H VAL A 26 0.572 -13.012 0.956 1.00 0.00 H new ATOM 0 HA VAL A 26 3.369 -12.257 0.486 1.00 0.00 H new ATOM 0 HB VAL A 26 1.983 -14.940 0.103 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.273 -15.841 0.079 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.004 -14.677 -1.240 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.920 -14.187 0.205 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.060 -15.608 2.215 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.650 -13.943 2.435 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.902 -14.277 2.453 1.00 0.00 H new ATOM 278 N ALA A 27 3.396 -12.559 -2.050 1.00 0.00 N ATOM 279 CA ALA A 27 3.338 -12.406 -3.498 1.00 0.00 C ATOM 280 C ALA A 27 2.835 -13.680 -4.167 1.00 0.00 C ATOM 281 O ALA A 27 3.421 -14.750 -4.006 1.00 0.00 O ATOM 282 CB ALA A 27 4.709 -12.032 -4.042 1.00 0.00 C ATOM 0 H ALA A 27 4.339 -12.541 -1.663 1.00 0.00 H new ATOM 0 HA ALA A 27 2.634 -11.605 -3.725 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.653 -11.921 -5.125 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.033 -11.091 -3.597 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.425 -12.816 -3.795 1.00 0.00 H new ATOM 288 N LEU A 28 1.750 -13.556 -4.923 1.00 0.00 N ATOM 289 CA LEU A 28 1.173 -14.700 -5.622 1.00 0.00 C ATOM 290 C LEU A 28 1.839 -14.911 -6.982 1.00 0.00 C ATOM 291 O LEU A 28 1.482 -15.832 -7.712 1.00 0.00 O ATOM 292 CB LEU A 28 -0.334 -14.504 -5.807 1.00 0.00 C ATOM 293 CG LEU A 28 -1.125 -15.783 -6.086 1.00 0.00 C ATOM 294 CD1 LEU A 28 -1.582 -16.424 -4.785 1.00 0.00 C ATOM 295 CD2 LEU A 28 -2.318 -15.487 -6.982 1.00 0.00 C ATOM 0 H LEU A 28 1.253 -12.677 -5.068 1.00 0.00 H new ATOM 0 HA LEU A 28 1.349 -15.587 -5.013 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.737 -14.035 -4.909 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.496 -13.808 -6.630 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.471 -16.485 -6.603 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.143 -17.332 -5.004 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.712 -16.673 -4.177 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.219 -15.727 -4.240 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.869 -16.408 -7.170 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.972 -14.767 -6.491 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.969 -15.074 -7.928 1.00 0.00 H new ATOM 307 N GLN A 29 2.813 -14.055 -7.308 1.00 0.00 N ATOM 308 CA GLN A 29 3.542 -14.133 -8.565 1.00 0.00 C ATOM 309 C GLN A 29 4.344 -12.863 -8.818 1.00 0.00 C ATOM 310 O GLN A 29 4.185 -11.864 -8.117 1.00 0.00 O ATOM 311 CB GLN A 29 2.592 -14.388 -9.736 1.00 0.00 C ATOM 312 CG GLN A 29 2.488 -15.852 -10.099 1.00 0.00 C ATOM 313 CD GLN A 29 3.116 -16.173 -11.441 1.00 0.00 C ATOM 314 OE1 GLN A 29 3.787 -15.335 -12.043 1.00 0.00 O ATOM 315 NE2 GLN A 29 2.903 -17.395 -11.917 1.00 0.00 N ATOM 0 H GLN A 29 3.114 -13.291 -6.703 1.00 0.00 H new ATOM 0 HA GLN A 29 4.235 -14.971 -8.486 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.601 -14.010 -9.483 1.00 0.00 H new ATOM 0 HB3 GLN A 29 2.935 -13.827 -10.605 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.972 -16.448 -9.325 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.438 -16.143 -10.116 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.340 -18.059 -11.385 1.00 0.00 H new ATOM 0 HE22 GLN A 29 3.302 -17.669 -12.815 1.00 0.00 H new ATOM 324 N ASP A 30 5.207 -12.913 -9.828 1.00 0.00 N ATOM 325 CA ASP A 30 6.039 -11.769 -10.182 1.00 0.00 C ATOM 326 C ASP A 30 5.204 -10.671 -10.832 1.00 0.00 C ATOM 327 O ASP A 30 4.237 -10.952 -11.541 1.00 0.00 O ATOM 328 CB ASP A 30 7.164 -12.200 -11.125 1.00 0.00 C ATOM 329 CG ASP A 30 8.217 -11.123 -11.299 1.00 0.00 C ATOM 330 OD1 ASP A 30 7.858 -10.004 -11.722 1.00 0.00 O ATOM 331 OD2 ASP A 30 9.402 -11.400 -11.013 1.00 0.00 O ATOM 0 H ASP A 30 5.348 -13.734 -10.416 1.00 0.00 H new ATOM 0 HA ASP A 30 6.477 -11.373 -9.266 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.633 -13.104 -10.737 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.742 -12.452 -12.098 1.00 0.00 H new ATOM 336 N TYR A 31 5.579 -9.421 -10.584 1.00 0.00 N ATOM 337 CA TYR A 31 4.858 -8.283 -11.145 1.00 0.00 C ATOM 338 C TYR A 31 5.714 -7.017 -11.117 1.00 0.00 C ATOM 339 O TYR A 31 5.671 -6.248 -10.156 1.00 0.00 O ATOM 340 CB TYR A 31 3.548 -8.064 -10.376 1.00 0.00 C ATOM 341 CG TYR A 31 2.922 -6.703 -10.590 1.00 0.00 C ATOM 342 CD1 TYR A 31 2.276 -6.392 -11.780 1.00 0.00 C ATOM 343 CD2 TYR A 31 2.977 -5.732 -9.600 1.00 0.00 C ATOM 344 CE1 TYR A 31 1.705 -5.150 -11.977 1.00 0.00 C ATOM 345 CE2 TYR A 31 2.408 -4.488 -9.788 1.00 0.00 C ATOM 346 CZ TYR A 31 1.773 -4.201 -10.978 1.00 0.00 C ATOM 347 OH TYR A 31 1.204 -2.963 -11.172 1.00 0.00 O ATOM 0 H TYR A 31 6.376 -9.170 -10.000 1.00 0.00 H new ATOM 0 HA TYR A 31 4.627 -8.503 -12.187 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.833 -8.831 -10.673 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.738 -8.201 -9.311 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.219 -7.133 -12.563 1.00 0.00 H new ATOM 0 HD2 TYR A 31 3.473 -5.953 -8.667 1.00 0.00 H new ATOM 0 HE1 TYR A 31 1.208 -4.923 -12.908 1.00 0.00 H new ATOM 0 HE2 TYR A 31 2.460 -3.744 -9.007 1.00 0.00 H new ATOM 0 HH TYR A 31 1.339 -2.412 -10.373 1.00 0.00 H new ATOM 357 N MET A 32 6.492 -6.811 -12.175 1.00 0.00 N ATOM 358 CA MET A 32 7.354 -5.659 -12.282 1.00 0.00 C ATOM 359 C MET A 32 6.542 -4.370 -12.368 1.00 0.00 C ATOM 360 O MET A 32 5.723 -4.203 -13.272 1.00 0.00 O ATOM 361 CB MET A 32 8.262 -5.788 -13.507 1.00 0.00 C ATOM 362 CG MET A 32 7.513 -6.128 -14.786 1.00 0.00 C ATOM 363 SD MET A 32 8.291 -5.429 -16.255 1.00 0.00 S ATOM 364 CE MET A 32 7.503 -3.822 -16.325 1.00 0.00 C ATOM 0 H MET A 32 6.536 -7.441 -12.976 1.00 0.00 H new ATOM 0 HA MET A 32 7.970 -5.615 -11.384 1.00 0.00 H new ATOM 0 HB2 MET A 32 8.801 -4.852 -13.650 1.00 0.00 H new ATOM 0 HB3 MET A 32 9.008 -6.560 -13.316 1.00 0.00 H new ATOM 0 HG2 MET A 32 7.455 -7.211 -14.891 1.00 0.00 H new ATOM 0 HG3 MET A 32 6.490 -5.760 -14.712 1.00 0.00 H new ATOM 0 HE1 MET A 32 7.023 -3.694 -17.295 1.00 0.00 H new ATOM 0 HE2 MET A 32 6.753 -3.750 -15.537 1.00 0.00 H new ATOM 0 HE3 MET A 32 8.252 -3.043 -16.185 1.00 0.00 H new ATOM 374 N ALA A 33 6.770 -3.469 -11.413 1.00 0.00 N ATOM 375 CA ALA A 33 6.067 -2.196 -11.357 1.00 0.00 C ATOM 376 C ALA A 33 5.870 -1.585 -12.746 1.00 0.00 C ATOM 377 O ALA A 33 6.581 -1.929 -13.690 1.00 0.00 O ATOM 378 CB ALA A 33 6.819 -1.225 -10.456 1.00 0.00 C ATOM 0 H ALA A 33 7.445 -3.604 -10.661 1.00 0.00 H new ATOM 0 HA ALA A 33 5.077 -2.385 -10.943 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.286 -0.275 -10.420 1.00 0.00 H new ATOM 0 HB2 ALA A 33 6.888 -1.641 -9.451 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.822 -1.064 -10.852 1.00 0.00 H new ATOM 384 N PRO A 34 4.900 -0.666 -12.885 1.00 0.00 N ATOM 385 CA PRO A 34 4.614 -0.008 -14.165 1.00 0.00 C ATOM 386 C PRO A 34 5.760 0.886 -14.624 1.00 0.00 C ATOM 387 O PRO A 34 6.129 0.885 -15.799 1.00 0.00 O ATOM 388 CB PRO A 34 3.367 0.831 -13.870 1.00 0.00 C ATOM 389 CG PRO A 34 3.389 1.043 -12.396 1.00 0.00 C ATOM 390 CD PRO A 34 4.009 -0.193 -11.810 1.00 0.00 C ATOM 0 HA PRO A 34 4.474 -0.730 -14.969 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.393 1.780 -14.406 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.460 0.314 -14.181 1.00 0.00 H new ATOM 0 HG2 PRO A 34 3.968 1.930 -12.138 1.00 0.00 H new ATOM 0 HG3 PRO A 34 2.382 1.196 -12.009 1.00 0.00 H new ATOM 0 HD2 PRO A 34 4.562 0.028 -10.897 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.256 -0.938 -11.554 1.00 0.00 H new ATOM 398 N ASP A 35 6.319 1.650 -13.691 1.00 0.00 N ATOM 399 CA ASP A 35 7.424 2.551 -14.001 1.00 0.00 C ATOM 400 C ASP A 35 7.921 3.256 -12.743 1.00 0.00 C ATOM 401 O ASP A 35 7.476 2.955 -11.635 1.00 0.00 O ATOM 402 CB ASP A 35 6.989 3.584 -15.043 1.00 0.00 C ATOM 403 CG ASP A 35 7.432 3.212 -16.444 1.00 0.00 C ATOM 404 OD1 ASP A 35 8.648 3.280 -16.721 1.00 0.00 O ATOM 405 OD2 ASP A 35 6.561 2.853 -17.265 1.00 0.00 O ATOM 0 H ASP A 35 6.025 1.663 -12.714 1.00 0.00 H new ATOM 0 HA ASP A 35 8.242 1.957 -14.408 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.904 3.683 -15.022 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.403 4.558 -14.780 1.00 0.00 H new ATOM 410 N CYS A 36 8.843 4.196 -12.923 1.00 0.00 N ATOM 411 CA CYS A 36 9.401 4.947 -11.803 1.00 0.00 C ATOM 412 C CYS A 36 10.143 4.022 -10.842 1.00 0.00 C ATOM 413 O CYS A 36 10.237 4.303 -9.647 1.00 0.00 O ATOM 414 CB CYS A 36 8.291 5.694 -11.060 1.00 0.00 C ATOM 415 SG CYS A 36 8.172 7.462 -11.483 1.00 0.00 S ATOM 0 H CYS A 36 9.220 4.456 -13.834 1.00 0.00 H new ATOM 0 HA CYS A 36 10.112 5.671 -12.201 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.337 5.214 -11.277 1.00 0.00 H new ATOM 0 HB3 CYS A 36 8.459 5.599 -9.987 1.00 0.00 H new ATOM 420 N ARG A 37 10.676 2.923 -11.373 1.00 0.00 N ATOM 421 CA ARG A 37 11.417 1.956 -10.574 1.00 0.00 C ATOM 422 C ARG A 37 10.722 1.674 -9.241 1.00 0.00 C ATOM 423 O ARG A 37 11.376 1.536 -8.207 1.00 0.00 O ATOM 424 CB ARG A 37 12.839 2.461 -10.338 1.00 0.00 C ATOM 425 CG ARG A 37 12.921 3.663 -9.408 1.00 0.00 C ATOM 426 CD ARG A 37 14.267 3.730 -8.705 1.00 0.00 C ATOM 427 NE ARG A 37 14.236 3.073 -7.401 1.00 0.00 N ATOM 428 CZ ARG A 37 15.135 3.284 -6.443 1.00 0.00 C ATOM 429 NH1 ARG A 37 16.135 4.135 -6.638 1.00 0.00 N ATOM 430 NH2 ARG A 37 15.034 2.644 -5.286 1.00 0.00 N ATOM 0 H ARG A 37 10.606 2.681 -12.361 1.00 0.00 H new ATOM 0 HA ARG A 37 11.454 1.018 -11.127 1.00 0.00 H new ATOM 0 HB2 ARG A 37 13.437 1.651 -9.922 1.00 0.00 H new ATOM 0 HB3 ARG A 37 13.284 2.725 -11.297 1.00 0.00 H new ATOM 0 HG2 ARG A 37 12.761 4.578 -9.979 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.124 3.606 -8.667 1.00 0.00 H new ATOM 0 HD2 ARG A 37 15.026 3.260 -9.330 1.00 0.00 H new ATOM 0 HD3 ARG A 37 14.559 4.773 -8.579 1.00 0.00 H new ATOM 0 HE ARG A 37 13.481 2.414 -7.214 1.00 0.00 H new ATOM 0 HH11 ARG A 37 16.217 4.631 -7.526 1.00 0.00 H new ATOM 0 HH12 ARG A 37 16.821 4.293 -5.900 1.00 0.00 H new ATOM 0 HH21 ARG A 37 14.267 1.990 -5.130 1.00 0.00 H new ATOM 0 HH22 ARG A 37 15.723 2.806 -4.552 1.00 0.00 H new ATOM 444 N PHE A 38 9.396 1.590 -9.275 1.00 0.00 N ATOM 445 CA PHE A 38 8.615 1.325 -8.072 1.00 0.00 C ATOM 446 C PHE A 38 9.013 -0.007 -7.446 1.00 0.00 C ATOM 447 O PHE A 38 10.014 -0.613 -7.831 1.00 0.00 O ATOM 448 CB PHE A 38 7.119 1.327 -8.400 1.00 0.00 C ATOM 449 CG PHE A 38 6.357 2.425 -7.713 1.00 0.00 C ATOM 450 CD1 PHE A 38 6.684 3.754 -7.932 1.00 0.00 C ATOM 451 CD2 PHE A 38 5.313 2.128 -6.850 1.00 0.00 C ATOM 452 CE1 PHE A 38 5.985 4.766 -7.303 1.00 0.00 C ATOM 453 CE2 PHE A 38 4.612 3.137 -6.218 1.00 0.00 C ATOM 454 CZ PHE A 38 4.948 4.457 -6.445 1.00 0.00 C ATOM 0 H PHE A 38 8.840 1.702 -10.123 1.00 0.00 H new ATOM 0 HA PHE A 38 8.822 2.117 -7.352 1.00 0.00 H new ATOM 0 HB2 PHE A 38 6.991 1.426 -9.478 1.00 0.00 H new ATOM 0 HB3 PHE A 38 6.691 0.366 -8.116 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.494 4.001 -8.602 1.00 0.00 H new ATOM 0 HD2 PHE A 38 5.045 1.097 -6.670 1.00 0.00 H new ATOM 0 HE1 PHE A 38 6.249 5.798 -7.482 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.802 2.893 -5.547 1.00 0.00 H new ATOM 0 HZ PHE A 38 4.400 5.247 -5.952 1.00 0.00 H new ATOM 464 N LEU A 39 8.222 -0.459 -6.477 1.00 0.00 N ATOM 465 CA LEU A 39 8.491 -1.720 -5.794 1.00 0.00 C ATOM 466 C LEU A 39 7.781 -2.877 -6.489 1.00 0.00 C ATOM 467 O LEU A 39 6.571 -3.052 -6.346 1.00 0.00 O ATOM 468 CB LEU A 39 8.048 -1.636 -4.332 1.00 0.00 C ATOM 469 CG LEU A 39 8.958 -2.357 -3.338 1.00 0.00 C ATOM 470 CD1 LEU A 39 8.889 -3.861 -3.546 1.00 0.00 C ATOM 471 CD2 LEU A 39 10.391 -1.863 -3.475 1.00 0.00 C ATOM 0 H LEU A 39 7.389 0.029 -6.147 1.00 0.00 H new ATOM 0 HA LEU A 39 9.565 -1.903 -5.830 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.984 -0.586 -4.047 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.043 -2.050 -4.248 1.00 0.00 H new ATOM 0 HG LEU A 39 8.612 -2.135 -2.329 1.00 0.00 H new ATOM 0 HD11 LEU A 39 9.543 -4.358 -2.830 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.864 -4.202 -3.399 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.210 -4.103 -4.559 1.00 0.00 H new ATOM 0 HD21 LEU A 39 11.026 -2.386 -2.760 1.00 0.00 H new ATOM 0 HD22 LEU A 39 10.747 -2.056 -4.487 1.00 0.00 H new ATOM 0 HD23 LEU A 39 10.427 -0.792 -3.276 1.00 0.00 H new ATOM 483 N THR A 40 8.542 -3.665 -7.242 1.00 0.00 N ATOM 484 CA THR A 40 7.985 -4.805 -7.961 1.00 0.00 C ATOM 485 C THR A 40 7.688 -5.962 -7.013 1.00 0.00 C ATOM 486 O THR A 40 8.153 -5.983 -5.874 1.00 0.00 O ATOM 487 CB THR A 40 8.949 -5.271 -9.052 1.00 0.00 C ATOM 488 OG1 THR A 40 8.551 -6.530 -9.567 1.00 0.00 O ATOM 489 CG2 THR A 40 10.379 -5.406 -8.576 1.00 0.00 C ATOM 0 H THR A 40 9.546 -3.535 -7.370 1.00 0.00 H new ATOM 0 HA THR A 40 7.050 -4.483 -8.419 1.00 0.00 H new ATOM 0 HB THR A 40 8.910 -4.496 -9.818 1.00 0.00 H new ATOM 0 HG1 THR A 40 9.258 -6.885 -10.146 1.00 0.00 H new ATOM 0 HG21 THR A 40 11.007 -5.740 -9.402 1.00 0.00 H new ATOM 0 HG22 THR A 40 10.735 -4.441 -8.216 1.00 0.00 H new ATOM 0 HG23 THR A 40 10.426 -6.135 -7.767 1.00 0.00 H new ATOM 497 N ILE A 41 6.916 -6.928 -7.501 1.00 0.00 N ATOM 498 CA ILE A 41 6.560 -8.098 -6.711 1.00 0.00 C ATOM 499 C ILE A 41 7.168 -9.358 -7.319 1.00 0.00 C ATOM 500 O ILE A 41 7.293 -9.468 -8.538 1.00 0.00 O ATOM 501 CB ILE A 41 5.029 -8.262 -6.613 1.00 0.00 C ATOM 502 CG1 ILE A 41 4.395 -6.992 -6.044 1.00 0.00 C ATOM 503 CG2 ILE A 41 4.673 -9.466 -5.752 1.00 0.00 C ATOM 504 CD1 ILE A 41 2.927 -6.846 -6.383 1.00 0.00 C ATOM 0 H ILE A 41 6.525 -6.922 -8.443 1.00 0.00 H new ATOM 0 HA ILE A 41 6.959 -7.951 -5.707 1.00 0.00 H new ATOM 0 HB ILE A 41 4.635 -8.429 -7.615 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.511 -6.992 -4.960 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.935 -6.124 -6.423 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.589 -9.565 -5.695 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.097 -10.368 -6.194 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.078 -9.329 -4.749 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.543 -5.924 -5.947 1.00 0.00 H new ATOM 0 HD12 ILE A 41 2.805 -6.814 -7.466 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.374 -7.695 -5.980 1.00 0.00 H new ATOM 516 N HIS A 42 7.550 -10.305 -6.467 1.00 0.00 N ATOM 517 CA HIS A 42 8.152 -11.551 -6.934 1.00 0.00 C ATOM 518 C HIS A 42 7.640 -12.746 -6.136 1.00 0.00 C ATOM 519 O HIS A 42 7.383 -12.641 -4.936 1.00 0.00 O ATOM 520 CB HIS A 42 9.676 -11.473 -6.834 1.00 0.00 C ATOM 521 CG HIS A 42 10.387 -12.491 -7.671 1.00 0.00 C ATOM 522 ND1 HIS A 42 9.808 -13.111 -8.759 1.00 0.00 N ATOM 523 CD2 HIS A 42 11.639 -12.998 -7.574 1.00 0.00 C ATOM 524 CE1 HIS A 42 10.674 -13.954 -9.295 1.00 0.00 C ATOM 525 NE2 HIS A 42 11.792 -13.904 -8.596 1.00 0.00 N ATOM 0 H HIS A 42 7.454 -10.235 -5.454 1.00 0.00 H new ATOM 0 HA HIS A 42 7.866 -11.690 -7.977 1.00 0.00 H new ATOM 0 HB2 HIS A 42 10.001 -10.477 -7.135 1.00 0.00 H new ATOM 0 HB3 HIS A 42 9.970 -11.602 -5.792 1.00 0.00 H new ATOM 0 HD2 HIS A 42 12.379 -12.739 -6.832 1.00 0.00 H new ATOM 0 HE1 HIS A 42 10.496 -14.578 -10.159 1.00 0.00 H new ATOM 0 HE2 HIS A 42 12.633 -14.449 -8.784 1.00 0.00 H new ATOM 534 N ARG A 43 7.494 -13.882 -6.815 1.00 0.00 N ATOM 535 CA ARG A 43 7.013 -15.107 -6.187 1.00 0.00 C ATOM 536 C ARG A 43 7.679 -15.351 -4.836 1.00 0.00 C ATOM 537 O ARG A 43 8.775 -14.859 -4.567 1.00 0.00 O ATOM 538 CB ARG A 43 7.275 -16.305 -7.106 1.00 0.00 C ATOM 539 CG ARG A 43 6.047 -16.786 -7.861 1.00 0.00 C ATOM 540 CD ARG A 43 4.869 -17.025 -6.930 1.00 0.00 C ATOM 541 NE ARG A 43 4.530 -18.442 -6.828 1.00 0.00 N ATOM 542 CZ ARG A 43 3.830 -18.965 -5.825 1.00 0.00 C ATOM 543 NH1 ARG A 43 3.385 -18.192 -4.842 1.00 0.00 N ATOM 544 NH2 ARG A 43 3.570 -20.265 -5.804 1.00 0.00 N ATOM 0 H ARG A 43 7.704 -13.978 -7.808 1.00 0.00 H new ATOM 0 HA ARG A 43 5.942 -14.991 -6.021 1.00 0.00 H new ATOM 0 HB2 ARG A 43 8.048 -16.036 -7.825 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.667 -17.128 -6.509 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.771 -16.048 -8.614 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.284 -17.708 -8.391 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.105 -16.637 -5.939 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.003 -16.470 -7.291 1.00 0.00 H new ATOM 0 HE ARG A 43 4.848 -19.067 -7.569 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.579 -17.191 -4.853 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.849 -18.599 -4.076 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.907 -20.865 -6.557 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.033 -20.665 -5.035 1.00 0.00 H new ATOM 558 N GLY A 44 7.006 -16.132 -3.998 1.00 0.00 N ATOM 559 CA GLY A 44 7.531 -16.459 -2.682 1.00 0.00 C ATOM 560 C GLY A 44 8.085 -15.258 -1.937 1.00 0.00 C ATOM 561 O GLY A 44 9.144 -15.344 -1.315 1.00 0.00 O ATOM 0 H GLY A 44 6.099 -16.548 -4.208 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.739 -16.913 -2.086 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.318 -17.206 -2.788 1.00 0.00 H new ATOM 565 N GLN A 45 7.370 -14.140 -1.992 1.00 0.00 N ATOM 566 CA GLN A 45 7.799 -12.928 -1.307 1.00 0.00 C ATOM 567 C GLN A 45 6.684 -12.391 -0.417 1.00 0.00 C ATOM 568 O GLN A 45 5.655 -11.927 -0.906 1.00 0.00 O ATOM 569 CB GLN A 45 8.220 -11.861 -2.319 1.00 0.00 C ATOM 570 CG GLN A 45 9.171 -10.823 -1.745 1.00 0.00 C ATOM 571 CD GLN A 45 9.907 -10.046 -2.820 1.00 0.00 C ATOM 572 OE1 GLN A 45 10.299 -10.603 -3.846 1.00 0.00 O ATOM 573 NE2 GLN A 45 10.097 -8.753 -2.590 1.00 0.00 N ATOM 0 H GLN A 45 6.492 -14.048 -2.503 1.00 0.00 H new ATOM 0 HA GLN A 45 8.656 -13.177 -0.681 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.696 -12.347 -3.171 1.00 0.00 H new ATOM 0 HB3 GLN A 45 7.330 -11.358 -2.696 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.610 -10.128 -1.120 1.00 0.00 H new ATOM 0 HG3 GLN A 45 9.896 -11.318 -1.099 1.00 0.00 H new ATOM 0 HE21 GLN A 45 9.755 -8.333 -1.726 1.00 0.00 H new ATOM 0 HE22 GLN A 45 10.585 -8.179 -3.278 1.00 0.00 H new ATOM 582 N VAL A 46 6.895 -12.460 0.893 1.00 0.00 N ATOM 583 CA VAL A 46 5.906 -11.982 1.849 1.00 0.00 C ATOM 584 C VAL A 46 5.805 -10.460 1.801 1.00 0.00 C ATOM 585 O VAL A 46 6.724 -9.784 1.340 1.00 0.00 O ATOM 586 CB VAL A 46 6.253 -12.430 3.282 1.00 0.00 C ATOM 587 CG1 VAL A 46 5.226 -11.910 4.278 1.00 0.00 C ATOM 588 CG2 VAL A 46 6.350 -13.947 3.354 1.00 0.00 C ATOM 0 H VAL A 46 7.741 -12.842 1.315 1.00 0.00 H new ATOM 0 HA VAL A 46 4.945 -12.416 1.572 1.00 0.00 H new ATOM 0 HB VAL A 46 7.222 -12.007 3.547 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.493 -12.240 5.282 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.208 -10.821 4.247 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.240 -12.297 4.020 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.596 -14.248 4.372 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.395 -14.387 3.066 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.129 -14.294 2.675 1.00 0.00 H new ATOM 598 N VAL A 47 4.684 -9.927 2.275 1.00 0.00 N ATOM 599 CA VAL A 47 4.467 -8.504 2.280 1.00 0.00 C ATOM 600 C VAL A 47 3.577 -8.089 3.448 1.00 0.00 C ATOM 601 O VAL A 47 2.870 -8.915 4.026 1.00 0.00 O ATOM 602 CB VAL A 47 3.835 -8.012 0.958 1.00 0.00 C ATOM 603 CG1 VAL A 47 4.255 -6.588 0.639 1.00 0.00 C ATOM 604 CG2 VAL A 47 4.178 -8.944 -0.200 1.00 0.00 C ATOM 0 H VAL A 47 3.913 -10.472 2.661 1.00 0.00 H new ATOM 0 HA VAL A 47 5.447 -8.040 2.389 1.00 0.00 H new ATOM 0 HB VAL A 47 2.753 -8.022 1.093 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.793 -6.273 -0.297 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.934 -5.925 1.443 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.340 -6.542 0.542 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.719 -8.571 -1.116 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.260 -8.984 -0.327 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.801 -9.944 0.014 1.00 0.00 H new ATOM 614 N TYR A 48 3.620 -6.806 3.792 1.00 0.00 N ATOM 615 CA TYR A 48 2.821 -6.279 4.893 1.00 0.00 C ATOM 616 C TYR A 48 2.091 -5.007 4.477 1.00 0.00 C ATOM 617 O TYR A 48 2.678 -3.925 4.444 1.00 0.00 O ATOM 618 CB TYR A 48 3.711 -5.996 6.105 1.00 0.00 C ATOM 619 CG TYR A 48 3.734 -7.117 7.118 1.00 0.00 C ATOM 620 CD1 TYR A 48 2.779 -7.190 8.125 1.00 0.00 C ATOM 621 CD2 TYR A 48 4.711 -8.104 7.069 1.00 0.00 C ATOM 622 CE1 TYR A 48 2.797 -8.213 9.053 1.00 0.00 C ATOM 623 CE2 TYR A 48 4.736 -9.130 7.994 1.00 0.00 C ATOM 624 CZ TYR A 48 3.778 -9.180 8.984 1.00 0.00 C ATOM 625 OH TYR A 48 3.800 -10.201 9.907 1.00 0.00 O ATOM 0 H TYR A 48 4.201 -6.111 3.323 1.00 0.00 H new ATOM 0 HA TYR A 48 2.078 -7.030 5.162 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.728 -5.808 5.761 1.00 0.00 H new ATOM 0 HB3 TYR A 48 3.366 -5.085 6.593 1.00 0.00 H new ATOM 0 HD1 TYR A 48 2.010 -6.434 8.183 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.463 -8.068 6.295 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.047 -8.255 9.829 1.00 0.00 H new ATOM 0 HE2 TYR A 48 5.502 -9.889 7.942 1.00 0.00 H new ATOM 0 HH TYR A 48 4.554 -10.798 9.717 1.00 0.00 H new ATOM 635 N VAL A 49 0.808 -5.142 4.164 1.00 0.00 N ATOM 636 CA VAL A 49 -0.001 -4.003 3.753 1.00 0.00 C ATOM 637 C VAL A 49 -0.263 -3.065 4.926 1.00 0.00 C ATOM 638 O VAL A 49 -0.627 -3.503 6.018 1.00 0.00 O ATOM 639 CB VAL A 49 -1.347 -4.456 3.159 1.00 0.00 C ATOM 640 CG1 VAL A 49 -2.104 -3.269 2.582 1.00 0.00 C ATOM 641 CG2 VAL A 49 -1.128 -5.526 2.100 1.00 0.00 C ATOM 0 H VAL A 49 0.306 -6.030 4.187 1.00 0.00 H new ATOM 0 HA VAL A 49 0.564 -3.472 2.987 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.951 -4.886 3.958 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.053 -3.609 2.167 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.293 -2.540 3.370 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.509 -2.806 1.795 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.090 -5.835 1.691 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.505 -5.125 1.301 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.632 -6.386 2.549 1.00 0.00 H new ATOM 651 N PHE A 50 -0.074 -1.772 4.693 1.00 0.00 N ATOM 652 CA PHE A 50 -0.291 -0.768 5.727 1.00 0.00 C ATOM 653 C PHE A 50 -1.596 -0.016 5.487 1.00 0.00 C ATOM 654 O PHE A 50 -2.198 0.516 6.420 1.00 0.00 O ATOM 655 CB PHE A 50 0.882 0.215 5.770 1.00 0.00 C ATOM 656 CG PHE A 50 1.434 0.425 7.149 1.00 0.00 C ATOM 657 CD1 PHE A 50 2.311 -0.492 7.706 1.00 0.00 C ATOM 658 CD2 PHE A 50 1.077 1.540 7.890 1.00 0.00 C ATOM 659 CE1 PHE A 50 2.821 -0.302 8.976 1.00 0.00 C ATOM 660 CE2 PHE A 50 1.583 1.737 9.161 1.00 0.00 C ATOM 661 CZ PHE A 50 2.457 0.814 9.704 1.00 0.00 C ATOM 0 H PHE A 50 0.230 -1.394 3.796 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.359 -1.279 6.687 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.677 -0.151 5.120 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.557 1.174 5.367 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.599 -1.366 7.141 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.395 2.264 7.469 1.00 0.00 H new ATOM 0 HE1 PHE A 50 3.503 -1.025 9.399 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.296 2.610 9.729 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.855 0.965 10.697 1.00 0.00 H new ATOM 671 N SER A 51 -2.029 0.025 4.230 1.00 0.00 N ATOM 672 CA SER A 51 -3.264 0.712 3.872 1.00 0.00 C ATOM 673 C SER A 51 -3.728 0.304 2.478 1.00 0.00 C ATOM 674 O SER A 51 -2.981 -0.313 1.719 1.00 0.00 O ATOM 675 CB SER A 51 -3.064 2.227 3.931 1.00 0.00 C ATOM 676 OG SER A 51 -2.844 2.662 5.261 1.00 0.00 O ATOM 0 H SER A 51 -1.544 -0.409 3.445 1.00 0.00 H new ATOM 0 HA SER A 51 -4.032 0.425 4.590 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.215 2.509 3.308 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.941 2.729 3.522 1.00 0.00 H new ATOM 0 HG SER A 51 -2.947 1.905 5.874 1.00 0.00 H new ATOM 682 N LYS A 52 -4.967 0.650 2.149 1.00 0.00 N ATOM 683 CA LYS A 52 -5.531 0.319 0.846 1.00 0.00 C ATOM 684 C LYS A 52 -6.327 1.490 0.281 1.00 0.00 C ATOM 685 O LYS A 52 -7.528 1.615 0.526 1.00 0.00 O ATOM 686 CB LYS A 52 -6.427 -0.917 0.956 1.00 0.00 C ATOM 687 CG LYS A 52 -7.398 -0.863 2.125 1.00 0.00 C ATOM 688 CD LYS A 52 -8.817 -0.558 1.666 1.00 0.00 C ATOM 689 CE LYS A 52 -9.796 -1.621 2.134 1.00 0.00 C ATOM 690 NZ LYS A 52 -10.124 -2.588 1.051 1.00 0.00 N ATOM 0 H LYS A 52 -5.600 1.159 2.766 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.707 0.104 0.166 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.992 -1.030 0.030 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.799 -1.803 1.056 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.384 -1.816 2.654 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.073 -0.101 2.833 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.123 0.415 2.051 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.842 -0.493 0.578 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.372 -2.157 2.983 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.711 -1.143 2.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -10.713 -3.354 1.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.643 -2.099 0.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.245 -2.988 0.665 1.00 0.00 H new ATOM 704 N LEU A 53 -5.652 2.345 -0.479 1.00 0.00 N ATOM 705 CA LEU A 53 -6.298 3.504 -1.083 1.00 0.00 C ATOM 706 C LEU A 53 -7.338 3.069 -2.108 1.00 0.00 C ATOM 707 O LEU A 53 -7.020 2.368 -3.069 1.00 0.00 O ATOM 708 CB LEU A 53 -5.257 4.405 -1.750 1.00 0.00 C ATOM 709 CG LEU A 53 -5.705 5.847 -1.989 1.00 0.00 C ATOM 710 CD1 LEU A 53 -4.527 6.800 -1.862 1.00 0.00 C ATOM 711 CD2 LEU A 53 -6.357 5.979 -3.358 1.00 0.00 C ATOM 0 H LEU A 53 -4.658 2.257 -0.691 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.800 4.063 -0.293 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.360 4.418 -1.131 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.978 3.964 -2.707 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.441 6.111 -1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.865 7.822 -2.035 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.103 6.723 -0.861 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.767 6.539 -2.599 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.671 7.011 -3.514 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.642 5.697 -4.130 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -7.226 5.324 -3.412 1.00 0.00 H new ATOM 723 N LYS A 54 -8.582 3.487 -1.900 1.00 0.00 N ATOM 724 CA LYS A 54 -9.665 3.137 -2.811 1.00 0.00 C ATOM 725 C LYS A 54 -10.349 4.391 -3.348 1.00 0.00 C ATOM 726 O LYS A 54 -9.830 5.498 -3.210 1.00 0.00 O ATOM 727 CB LYS A 54 -10.682 2.235 -2.111 1.00 0.00 C ATOM 728 CG LYS A 54 -11.506 2.945 -1.049 1.00 0.00 C ATOM 729 CD LYS A 54 -12.097 1.962 -0.053 1.00 0.00 C ATOM 730 CE LYS A 54 -13.393 2.483 0.547 1.00 0.00 C ATOM 731 NZ LYS A 54 -14.271 1.376 1.018 1.00 0.00 N ATOM 0 H LYS A 54 -8.865 4.067 -1.110 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.238 2.593 -3.653 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -11.355 1.814 -2.858 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.155 1.399 -1.650 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.880 3.666 -0.523 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -12.308 3.508 -1.526 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.282 1.009 -0.548 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.377 1.773 0.743 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -13.166 3.146 1.382 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -13.925 3.077 -0.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.144 1.773 1.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.509 0.757 0.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.774 0.824 1.746 1.00 0.00 H new ATOM 745 N GLY A 55 -11.511 4.210 -3.964 1.00 0.00 N ATOM 746 CA GLY A 55 -12.238 5.337 -4.516 1.00 0.00 C ATOM 747 C GLY A 55 -11.617 5.839 -5.805 1.00 0.00 C ATOM 748 O GLY A 55 -12.256 5.824 -6.857 1.00 0.00 O ATOM 0 H GLY A 55 -11.962 3.304 -4.091 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -13.272 5.045 -4.701 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -12.261 6.146 -3.786 1.00 0.00 H new ATOM 752 N ARG A 56 -10.366 6.281 -5.722 1.00 0.00 N ATOM 753 CA ARG A 56 -9.654 6.784 -6.890 1.00 0.00 C ATOM 754 C ARG A 56 -8.374 5.988 -7.146 1.00 0.00 C ATOM 755 O ARG A 56 -7.553 6.376 -7.976 1.00 0.00 O ATOM 756 CB ARG A 56 -9.318 8.266 -6.702 1.00 0.00 C ATOM 757 CG ARG A 56 -9.654 9.124 -7.912 1.00 0.00 C ATOM 758 CD ARG A 56 -8.648 8.921 -9.033 1.00 0.00 C ATOM 759 NE ARG A 56 -8.606 10.062 -9.945 1.00 0.00 N ATOM 760 CZ ARG A 56 -8.104 10.008 -11.177 1.00 0.00 C ATOM 761 NH1 ARG A 56 -7.596 8.875 -11.644 1.00 0.00 N ATOM 762 NH2 ARG A 56 -8.109 11.091 -11.942 1.00 0.00 N ATOM 0 H ARG A 56 -9.825 6.301 -4.858 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.305 6.667 -7.757 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.860 8.646 -5.836 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.255 8.364 -6.481 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.654 8.876 -8.269 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.670 10.174 -7.622 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.658 8.761 -8.607 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.904 8.020 -9.591 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.983 10.952 -9.619 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.589 8.040 -11.059 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -7.213 8.839 -12.589 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.497 11.965 -11.587 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.725 11.050 -12.886 1.00 0.00 H new ATOM 776 N GLY A 57 -8.205 4.875 -6.431 1.00 0.00 N ATOM 777 CA GLY A 57 -7.015 4.061 -6.613 1.00 0.00 C ATOM 778 C GLY A 57 -7.096 2.723 -5.903 1.00 0.00 C ATOM 779 O GLY A 57 -6.096 2.235 -5.374 1.00 0.00 O ATOM 0 H GLY A 57 -8.865 4.526 -5.736 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.857 3.892 -7.678 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.147 4.609 -6.245 1.00 0.00 H new ATOM 783 N ARG A 58 -8.283 2.124 -5.889 1.00 0.00 N ATOM 784 CA ARG A 58 -8.486 0.834 -5.239 1.00 0.00 C ATOM 785 C ARG A 58 -7.443 -0.183 -5.693 1.00 0.00 C ATOM 786 O ARG A 58 -7.001 -1.026 -4.913 1.00 0.00 O ATOM 787 CB ARG A 58 -9.891 0.306 -5.536 1.00 0.00 C ATOM 788 CG ARG A 58 -10.426 -0.640 -4.472 1.00 0.00 C ATOM 789 CD ARG A 58 -10.142 -2.092 -4.824 1.00 0.00 C ATOM 790 NE ARG A 58 -10.120 -2.948 -3.641 1.00 0.00 N ATOM 791 CZ ARG A 58 -11.213 -3.354 -2.998 1.00 0.00 C ATOM 792 NH1 ARG A 58 -12.415 -2.986 -3.422 1.00 0.00 N ATOM 793 NH2 ARG A 58 -11.104 -4.132 -1.929 1.00 0.00 N ATOM 0 H ARG A 58 -9.121 2.513 -6.322 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.376 0.980 -4.164 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.573 1.150 -5.635 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -9.880 -0.210 -6.496 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -9.972 -0.402 -3.510 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -11.501 -0.495 -4.361 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -10.902 -2.452 -5.518 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -9.183 -2.159 -5.338 1.00 0.00 H new ATOM 0 HE ARG A 58 -9.214 -3.253 -3.286 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -12.505 -2.389 -4.244 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -13.249 -3.300 -2.926 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -10.183 -4.419 -1.599 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.942 -4.443 -1.437 1.00 0.00 H new ATOM 807 N LEU A 59 -7.059 -0.103 -6.964 1.00 0.00 N ATOM 808 CA LEU A 59 -6.080 -1.013 -7.528 1.00 0.00 C ATOM 809 C LEU A 59 -4.661 -0.690 -7.056 1.00 0.00 C ATOM 810 O LEU A 59 -3.714 -1.403 -7.389 1.00 0.00 O ATOM 811 CB LEU A 59 -6.140 -0.974 -9.057 1.00 0.00 C ATOM 812 CG LEU A 59 -6.282 0.424 -9.665 1.00 0.00 C ATOM 813 CD1 LEU A 59 -5.226 0.653 -10.734 1.00 0.00 C ATOM 814 CD2 LEU A 59 -7.678 0.616 -10.242 1.00 0.00 C ATOM 0 H LEU A 59 -7.417 0.589 -7.622 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.328 -2.015 -7.178 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.235 -1.435 -9.453 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.980 -1.585 -9.388 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.133 1.159 -8.874 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.344 1.652 -11.154 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.234 0.560 -10.292 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.342 -0.089 -11.524 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.761 1.615 -10.670 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.856 -0.127 -11.019 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.418 0.498 -9.451 1.00 0.00 H new ATOM 826 N PHE A 60 -4.511 0.387 -6.287 1.00 0.00 N ATOM 827 CA PHE A 60 -3.202 0.788 -5.786 1.00 0.00 C ATOM 828 C PHE A 60 -3.150 0.700 -4.264 1.00 0.00 C ATOM 829 O PHE A 60 -3.410 1.679 -3.565 1.00 0.00 O ATOM 830 CB PHE A 60 -2.872 2.212 -6.243 1.00 0.00 C ATOM 831 CG PHE A 60 -1.527 2.337 -6.903 1.00 0.00 C ATOM 832 CD1 PHE A 60 -1.099 1.389 -7.819 1.00 0.00 C ATOM 833 CD2 PHE A 60 -0.692 3.403 -6.607 1.00 0.00 C ATOM 834 CE1 PHE A 60 0.137 1.501 -8.427 1.00 0.00 C ATOM 835 CE2 PHE A 60 0.545 3.520 -7.212 1.00 0.00 C ATOM 836 CZ PHE A 60 0.960 2.568 -8.124 1.00 0.00 C ATOM 0 H PHE A 60 -5.278 0.994 -5.999 1.00 0.00 H new ATOM 0 HA PHE A 60 -2.458 0.103 -6.194 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -3.641 2.549 -6.938 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -2.908 2.878 -5.381 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.739 0.553 -8.060 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.012 4.150 -5.896 1.00 0.00 H new ATOM 0 HE1 PHE A 60 0.459 0.755 -9.138 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.187 4.355 -6.972 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.926 2.658 -8.599 1.00 0.00 H new ATOM 846 N TRP A 61 -2.808 -0.480 -3.759 1.00 0.00 N ATOM 847 CA TRP A 61 -2.717 -0.702 -2.320 1.00 0.00 C ATOM 848 C TRP A 61 -1.325 -0.344 -1.806 1.00 0.00 C ATOM 849 O TRP A 61 -0.330 -0.526 -2.505 1.00 0.00 O ATOM 850 CB TRP A 61 -3.038 -2.159 -1.985 1.00 0.00 C ATOM 851 CG TRP A 61 -4.506 -2.426 -1.850 1.00 0.00 C ATOM 852 CD1 TRP A 61 -5.515 -1.843 -2.562 1.00 0.00 C ATOM 853 CD2 TRP A 61 -5.133 -3.344 -0.946 1.00 0.00 C ATOM 854 NE1 TRP A 61 -6.726 -2.340 -2.158 1.00 0.00 N ATOM 855 CE2 TRP A 61 -6.522 -3.263 -1.167 1.00 0.00 C ATOM 856 CE3 TRP A 61 -4.656 -4.226 0.028 1.00 0.00 C ATOM 857 CZ2 TRP A 61 -7.436 -4.031 -0.450 1.00 0.00 C ATOM 858 CZ3 TRP A 61 -5.565 -4.987 0.739 1.00 0.00 C ATOM 859 CH2 TRP A 61 -6.941 -4.885 0.497 1.00 0.00 C ATOM 0 H TRP A 61 -2.589 -1.299 -4.326 1.00 0.00 H new ATOM 0 HA TRP A 61 -3.446 -0.057 -1.829 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -2.629 -2.802 -2.764 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -2.539 -2.429 -1.054 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -5.378 -1.098 -3.332 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -7.634 -2.067 -2.535 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -3.597 -4.311 0.221 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -8.497 -3.955 -0.635 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -5.208 -5.672 1.494 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -7.625 -5.493 1.070 1.00 0.00 H new ATOM 870 N GLY A 62 -1.262 0.168 -0.580 1.00 0.00 N ATOM 871 CA GLY A 62 0.013 0.541 0.002 1.00 0.00 C ATOM 872 C GLY A 62 0.493 -0.459 1.034 1.00 0.00 C ATOM 873 O GLY A 62 -0.230 -0.783 1.975 1.00 0.00 O ATOM 0 H GLY A 62 -2.071 0.331 0.019 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.758 0.629 -0.789 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.076 1.523 0.466 1.00 0.00 H new ATOM 877 N GLY A 63 1.715 -0.954 0.857 1.00 0.00 N ATOM 878 CA GLY A 63 2.260 -1.920 1.791 1.00 0.00 C ATOM 879 C GLY A 63 3.775 -1.901 1.842 1.00 0.00 C ATOM 880 O GLY A 63 4.405 -0.899 1.503 1.00 0.00 O ATOM 0 H GLY A 63 2.334 -0.704 0.086 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.865 -1.718 2.787 1.00 0.00 H new ATOM 0 HA3 GLY A 63 1.923 -2.918 1.511 1.00 0.00 H new ATOM 884 N SER A 64 4.357 -3.018 2.265 1.00 0.00 N ATOM 885 CA SER A 64 5.806 -3.147 2.363 1.00 0.00 C ATOM 886 C SER A 64 6.188 -4.617 2.320 1.00 0.00 C ATOM 887 O SER A 64 5.676 -5.415 3.105 1.00 0.00 O ATOM 888 CB SER A 64 6.319 -2.504 3.654 1.00 0.00 C ATOM 889 OG SER A 64 5.247 -2.161 4.517 1.00 0.00 O ATOM 0 H SER A 64 3.843 -3.853 2.547 1.00 0.00 H new ATOM 0 HA SER A 64 6.265 -2.630 1.520 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.993 -3.192 4.163 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.896 -1.611 3.414 1.00 0.00 H new ATOM 0 HG SER A 64 5.603 -1.754 5.334 1.00 0.00 H new ATOM 895 N VAL A 65 7.077 -4.981 1.404 1.00 0.00 N ATOM 896 CA VAL A 65 7.489 -6.356 1.271 1.00 0.00 C ATOM 897 C VAL A 65 8.405 -6.757 2.402 1.00 0.00 C ATOM 898 O VAL A 65 9.131 -5.942 2.972 1.00 0.00 O ATOM 899 CB VAL A 65 8.207 -6.655 -0.067 1.00 0.00 C ATOM 900 CG1 VAL A 65 7.434 -7.683 -0.880 1.00 0.00 C ATOM 901 CG2 VAL A 65 8.442 -5.392 -0.888 1.00 0.00 C ATOM 0 H VAL A 65 7.521 -4.338 0.748 1.00 0.00 H new ATOM 0 HA VAL A 65 6.567 -6.937 1.298 1.00 0.00 H new ATOM 0 HB VAL A 65 9.184 -7.068 0.182 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.959 -7.876 -1.816 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.352 -8.610 -0.312 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.436 -7.301 -1.096 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.948 -5.651 -1.818 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.485 -4.922 -1.115 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.061 -4.698 -0.319 1.00 0.00 H new ATOM 911 N GLN A 66 8.349 -8.028 2.707 1.00 0.00 N ATOM 912 CA GLN A 66 9.157 -8.610 3.773 1.00 0.00 C ATOM 913 C GLN A 66 10.644 -8.380 3.521 1.00 0.00 C ATOM 914 O GLN A 66 11.083 -8.293 2.374 1.00 0.00 O ATOM 915 CB GLN A 66 8.876 -10.107 3.898 1.00 0.00 C ATOM 916 CG GLN A 66 9.267 -10.902 2.664 1.00 0.00 C ATOM 917 CD GLN A 66 9.941 -12.217 3.007 1.00 0.00 C ATOM 918 OE1 GLN A 66 9.946 -12.643 4.161 1.00 0.00 O ATOM 919 NE2 GLN A 66 10.515 -12.867 2.001 1.00 0.00 N ATOM 0 H GLN A 66 7.745 -8.697 2.229 1.00 0.00 H new ATOM 0 HA GLN A 66 8.885 -8.117 4.707 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.416 -10.499 4.760 1.00 0.00 H new ATOM 0 HB3 GLN A 66 7.814 -10.254 4.094 1.00 0.00 H new ATOM 0 HG2 GLN A 66 8.377 -11.099 2.066 1.00 0.00 H new ATOM 0 HG3 GLN A 66 9.938 -10.303 2.048 1.00 0.00 H new ATOM 0 HE21 GLN A 66 10.487 -12.476 1.059 1.00 0.00 H new ATOM 0 HE22 GLN A 66 10.984 -13.757 2.170 1.00 0.00 H new ATOM 928 N GLY A 67 11.414 -8.283 4.600 1.00 0.00 N ATOM 929 CA GLY A 67 12.843 -8.066 4.475 1.00 0.00 C ATOM 930 C GLY A 67 13.613 -8.576 5.677 1.00 0.00 C ATOM 931 O GLY A 67 13.561 -7.981 6.754 1.00 0.00 O ATOM 0 H GLY A 67 11.073 -8.351 5.559 1.00 0.00 H new ATOM 0 HA2 GLY A 67 13.206 -8.565 3.576 1.00 0.00 H new ATOM 0 HA3 GLY A 67 13.036 -7.001 4.349 1.00 0.00 H new ATOM 935 N ASP A 68 14.327 -9.681 5.496 1.00 0.00 N ATOM 936 CA ASP A 68 15.110 -10.271 6.576 1.00 0.00 C ATOM 937 C ASP A 68 16.599 -10.014 6.373 1.00 0.00 C ATOM 938 O ASP A 68 17.271 -9.474 7.252 1.00 0.00 O ATOM 939 CB ASP A 68 14.847 -11.776 6.663 1.00 0.00 C ATOM 940 CG ASP A 68 14.953 -12.299 8.083 1.00 0.00 C ATOM 941 OD1 ASP A 68 15.728 -11.721 8.872 1.00 0.00 O ATOM 942 OD2 ASP A 68 14.261 -13.288 8.403 1.00 0.00 O ATOM 0 H ASP A 68 14.380 -10.187 4.612 1.00 0.00 H new ATOM 0 HA ASP A 68 14.803 -9.801 7.511 1.00 0.00 H new ATOM 0 HB2 ASP A 68 13.853 -11.992 6.272 1.00 0.00 H new ATOM 0 HB3 ASP A 68 15.560 -12.304 6.030 1.00 0.00 H new ATOM 947 N TYR A 69 17.109 -10.407 5.210 1.00 0.00 N ATOM 948 CA TYR A 69 18.519 -10.220 4.894 1.00 0.00 C ATOM 949 C TYR A 69 18.769 -8.830 4.316 1.00 0.00 C ATOM 950 O TYR A 69 18.198 -8.461 3.290 1.00 0.00 O ATOM 951 CB TYR A 69 18.988 -11.292 3.907 1.00 0.00 C ATOM 952 CG TYR A 69 20.094 -12.171 4.446 1.00 0.00 C ATOM 953 CD1 TYR A 69 21.400 -11.706 4.529 1.00 0.00 C ATOM 954 CD2 TYR A 69 19.831 -13.468 4.873 1.00 0.00 C ATOM 955 CE1 TYR A 69 22.412 -12.506 5.022 1.00 0.00 C ATOM 956 CE2 TYR A 69 20.838 -14.274 5.365 1.00 0.00 C ATOM 957 CZ TYR A 69 22.127 -13.789 5.438 1.00 0.00 C ATOM 958 OH TYR A 69 23.133 -14.588 5.929 1.00 0.00 O ATOM 0 H TYR A 69 16.567 -10.856 4.472 1.00 0.00 H new ATOM 0 HA TYR A 69 19.089 -10.314 5.818 1.00 0.00 H new ATOM 0 HB2 TYR A 69 18.139 -11.918 3.633 1.00 0.00 H new ATOM 0 HB3 TYR A 69 19.334 -10.807 2.994 1.00 0.00 H new ATOM 0 HD1 TYR A 69 21.628 -10.702 4.203 1.00 0.00 H new ATOM 0 HD2 TYR A 69 18.823 -13.851 4.819 1.00 0.00 H new ATOM 0 HE1 TYR A 69 23.422 -12.128 5.081 1.00 0.00 H new ATOM 0 HE2 TYR A 69 20.617 -15.280 5.691 1.00 0.00 H new ATOM 0 HH TYR A 69 22.765 -15.461 6.179 1.00 0.00 H new ATOM 968 N TYR A 70 19.628 -8.064 4.981 1.00 0.00 N ATOM 969 CA TYR A 70 19.956 -6.716 4.533 1.00 0.00 C ATOM 970 C TYR A 70 20.620 -6.747 3.160 1.00 0.00 C ATOM 971 O TYR A 70 21.211 -7.753 2.768 1.00 0.00 O ATOM 972 CB TYR A 70 20.878 -6.030 5.545 1.00 0.00 C ATOM 973 CG TYR A 70 20.153 -5.103 6.495 1.00 0.00 C ATOM 974 CD1 TYR A 70 18.999 -5.512 7.151 1.00 0.00 C ATOM 975 CD2 TYR A 70 20.625 -3.819 6.737 1.00 0.00 C ATOM 976 CE1 TYR A 70 18.334 -4.667 8.021 1.00 0.00 C ATOM 977 CE2 TYR A 70 19.966 -2.968 7.606 1.00 0.00 C ATOM 978 CZ TYR A 70 18.822 -3.397 8.244 1.00 0.00 C ATOM 979 OH TYR A 70 18.164 -2.554 9.109 1.00 0.00 O ATOM 0 H TYR A 70 20.109 -8.354 5.832 1.00 0.00 H new ATOM 0 HA TYR A 70 19.029 -6.149 4.455 1.00 0.00 H new ATOM 0 HB2 TYR A 70 21.400 -6.793 6.123 1.00 0.00 H new ATOM 0 HB3 TYR A 70 21.637 -5.463 5.006 1.00 0.00 H new ATOM 0 HD1 TYR A 70 18.615 -6.506 6.979 1.00 0.00 H new ATOM 0 HD2 TYR A 70 21.521 -3.480 6.239 1.00 0.00 H new ATOM 0 HE1 TYR A 70 17.438 -5.000 8.523 1.00 0.00 H new ATOM 0 HE2 TYR A 70 20.346 -1.973 7.784 1.00 0.00 H new ATOM 0 HH TYR A 70 18.638 -1.698 9.155 1.00 0.00 H new ATOM 989 N GLY A 71 20.520 -5.638 2.434 1.00 0.00 N ATOM 990 CA GLY A 71 21.117 -5.560 1.114 1.00 0.00 C ATOM 991 C GLY A 71 21.767 -4.216 0.849 1.00 0.00 C ATOM 992 O GLY A 71 21.727 -3.712 -0.272 1.00 0.00 O ATOM 0 H GLY A 71 20.036 -4.792 2.736 1.00 0.00 H new ATOM 0 HA2 GLY A 71 21.863 -6.348 1.009 1.00 0.00 H new ATOM 0 HA3 GLY A 71 20.351 -5.744 0.361 1.00 0.00 H new ATOM 996 N ASP A 72 22.359 -3.633 1.889 1.00 0.00 N ATOM 997 CA ASP A 72 23.017 -2.335 1.782 1.00 0.00 C ATOM 998 C ASP A 72 21.983 -1.227 1.685 1.00 0.00 C ATOM 999 O ASP A 72 22.008 -0.405 0.770 1.00 0.00 O ATOM 1000 CB ASP A 72 23.968 -2.289 0.580 1.00 0.00 C ATOM 1001 CG ASP A 72 25.011 -3.389 0.626 1.00 0.00 C ATOM 1002 OD1 ASP A 72 25.746 -3.468 1.631 1.00 0.00 O ATOM 1003 OD2 ASP A 72 25.091 -4.172 -0.346 1.00 0.00 O ATOM 0 H ASP A 72 22.396 -4.044 2.822 1.00 0.00 H new ATOM 0 HA ASP A 72 23.612 -2.184 2.683 1.00 0.00 H new ATOM 0 HB2 ASP A 72 23.391 -2.378 -0.340 1.00 0.00 H new ATOM 0 HB3 ASP A 72 24.467 -1.320 0.551 1.00 0.00 H new ATOM 1008 N LEU A 73 21.078 -1.219 2.653 1.00 0.00 N ATOM 1009 CA LEU A 73 20.019 -0.221 2.716 1.00 0.00 C ATOM 1010 C LEU A 73 19.198 -0.199 1.429 1.00 0.00 C ATOM 1011 O LEU A 73 19.683 0.214 0.376 1.00 0.00 O ATOM 1012 CB LEU A 73 20.618 1.157 2.981 1.00 0.00 C ATOM 1013 CG LEU A 73 19.656 2.178 3.587 1.00 0.00 C ATOM 1014 CD1 LEU A 73 19.615 2.040 5.101 1.00 0.00 C ATOM 1015 CD2 LEU A 73 20.057 3.590 3.188 1.00 0.00 C ATOM 0 H LEU A 73 21.056 -1.899 3.413 1.00 0.00 H new ATOM 0 HA LEU A 73 19.351 -0.488 3.535 1.00 0.00 H new ATOM 0 HB2 LEU A 73 21.470 1.043 3.651 1.00 0.00 H new ATOM 0 HB3 LEU A 73 21.002 1.556 2.042 1.00 0.00 H new ATOM 0 HG LEU A 73 18.656 1.983 3.199 1.00 0.00 H new ATOM 0 HD11 LEU A 73 18.925 2.775 5.515 1.00 0.00 H new ATOM 0 HD12 LEU A 73 19.279 1.037 5.366 1.00 0.00 H new ATOM 0 HD13 LEU A 73 20.612 2.208 5.509 1.00 0.00 H new ATOM 0 HD21 LEU A 73 19.361 4.304 3.628 1.00 0.00 H new ATOM 0 HD22 LEU A 73 21.065 3.797 3.547 1.00 0.00 H new ATOM 0 HD23 LEU A 73 20.033 3.682 2.102 1.00 0.00 H new ATOM 1027 N ALA A 74 17.947 -0.641 1.523 1.00 0.00 N ATOM 1028 CA ALA A 74 17.053 -0.669 0.375 1.00 0.00 C ATOM 1029 C ALA A 74 15.694 -1.246 0.754 1.00 0.00 C ATOM 1030 O ALA A 74 15.441 -2.437 0.573 1.00 0.00 O ATOM 1031 CB ALA A 74 17.671 -1.468 -0.765 1.00 0.00 C ATOM 0 H ALA A 74 17.530 -0.986 2.388 1.00 0.00 H new ATOM 0 HA ALA A 74 16.904 0.357 0.039 1.00 0.00 H new ATOM 0 HB1 ALA A 74 16.988 -1.478 -1.614 1.00 0.00 H new ATOM 0 HB2 ALA A 74 18.614 -1.008 -1.062 1.00 0.00 H new ATOM 0 HB3 ALA A 74 17.854 -2.491 -0.435 1.00 0.00 H new ATOM 1037 N ALA A 75 14.821 -0.393 1.280 1.00 0.00 N ATOM 1038 CA ALA A 75 13.486 -0.816 1.684 1.00 0.00 C ATOM 1039 C ALA A 75 12.597 0.385 1.987 1.00 0.00 C ATOM 1040 O ALA A 75 12.999 1.303 2.703 1.00 0.00 O ATOM 1041 CB ALA A 75 13.570 -1.732 2.896 1.00 0.00 C ATOM 0 H ALA A 75 15.015 0.596 1.436 1.00 0.00 H new ATOM 0 HA ALA A 75 13.038 -1.365 0.856 1.00 0.00 H new ATOM 0 HB1 ALA A 75 12.567 -2.041 3.188 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.163 -2.612 2.647 1.00 0.00 H new ATOM 0 HB3 ALA A 75 14.041 -1.200 3.722 1.00 0.00 H new ATOM 1047 N ARG A 76 11.388 0.373 1.436 1.00 0.00 N ATOM 1048 CA ARG A 76 10.441 1.463 1.646 1.00 0.00 C ATOM 1049 C ARG A 76 9.031 1.046 1.240 1.00 0.00 C ATOM 1050 O ARG A 76 8.850 0.234 0.333 1.00 0.00 O ATOM 1051 CB ARG A 76 10.869 2.698 0.851 1.00 0.00 C ATOM 1052 CG ARG A 76 10.044 3.936 1.160 1.00 0.00 C ATOM 1053 CD ARG A 76 10.293 4.435 2.575 1.00 0.00 C ATOM 1054 NE ARG A 76 9.059 4.858 3.232 1.00 0.00 N ATOM 1055 CZ ARG A 76 8.464 6.028 3.011 1.00 0.00 C ATOM 1056 NH1 ARG A 76 8.985 6.893 2.149 1.00 0.00 N ATOM 1057 NH2 ARG A 76 7.346 6.333 3.652 1.00 0.00 N ATOM 0 H ARG A 76 11.040 -0.379 0.841 1.00 0.00 H new ATOM 0 HA ARG A 76 10.436 1.707 2.708 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.918 2.909 1.060 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.794 2.478 -0.214 1.00 0.00 H new ATOM 0 HG2 ARG A 76 10.288 4.724 0.447 1.00 0.00 H new ATOM 0 HG3 ARG A 76 8.985 3.709 1.034 1.00 0.00 H new ATOM 0 HD2 ARG A 76 10.763 3.645 3.161 1.00 0.00 H new ATOM 0 HD3 ARG A 76 10.993 5.270 2.547 1.00 0.00 H new ATOM 0 HE ARG A 76 8.628 4.219 3.900 1.00 0.00 H new ATOM 0 HH11 ARG A 76 9.845 6.662 1.652 1.00 0.00 H new ATOM 0 HH12 ARG A 76 8.525 7.788 1.984 1.00 0.00 H new ATOM 0 HH21 ARG A 76 6.941 5.672 4.315 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.890 7.229 3.483 1.00 0.00 H new ATOM 1071 N LEU A 77 8.035 1.607 1.918 1.00 0.00 N ATOM 1072 CA LEU A 77 6.642 1.293 1.626 1.00 0.00 C ATOM 1073 C LEU A 77 6.289 1.675 0.192 1.00 0.00 C ATOM 1074 O LEU A 77 6.584 2.783 -0.256 1.00 0.00 O ATOM 1075 CB LEU A 77 5.718 2.018 2.609 1.00 0.00 C ATOM 1076 CG LEU A 77 4.905 1.105 3.532 1.00 0.00 C ATOM 1077 CD1 LEU A 77 5.047 1.542 4.982 1.00 0.00 C ATOM 1078 CD2 LEU A 77 3.441 1.093 3.117 1.00 0.00 C ATOM 0 H LEU A 77 8.167 2.281 2.673 1.00 0.00 H new ATOM 0 HA LEU A 77 6.503 0.218 1.738 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.320 2.687 3.224 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.028 2.642 2.042 1.00 0.00 H new ATOM 0 HG LEU A 77 5.296 0.092 3.442 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.462 0.880 5.620 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.096 1.495 5.275 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.685 2.564 5.091 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.879 0.439 3.784 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.038 2.104 3.176 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.356 0.727 2.094 1.00 0.00 H new ATOM 1090 N GLY A 78 5.657 0.750 -0.524 1.00 0.00 N ATOM 1091 CA GLY A 78 5.277 1.010 -1.901 1.00 0.00 C ATOM 1092 C GLY A 78 3.776 0.950 -2.109 1.00 0.00 C ATOM 1093 O GLY A 78 3.034 0.542 -1.215 1.00 0.00 O ATOM 0 H GLY A 78 5.401 -0.174 -0.176 1.00 0.00 H new ATOM 0 HA2 GLY A 78 5.643 1.993 -2.196 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.760 0.282 -2.552 1.00 0.00 H new ATOM 1097 N TYR A 79 3.327 1.357 -3.292 1.00 0.00 N ATOM 1098 CA TYR A 79 1.906 1.348 -3.616 1.00 0.00 C ATOM 1099 C TYR A 79 1.646 0.556 -4.893 1.00 0.00 C ATOM 1100 O TYR A 79 2.069 0.952 -5.979 1.00 0.00 O ATOM 1101 CB TYR A 79 1.386 2.778 -3.773 1.00 0.00 C ATOM 1102 CG TYR A 79 1.821 3.706 -2.661 1.00 0.00 C ATOM 1103 CD1 TYR A 79 1.383 3.512 -1.358 1.00 0.00 C ATOM 1104 CD2 TYR A 79 2.668 4.777 -2.916 1.00 0.00 C ATOM 1105 CE1 TYR A 79 1.777 4.357 -0.339 1.00 0.00 C ATOM 1106 CE2 TYR A 79 3.067 5.627 -1.904 1.00 0.00 C ATOM 1107 CZ TYR A 79 2.619 5.414 -0.617 1.00 0.00 C ATOM 1108 OH TYR A 79 3.015 6.258 0.394 1.00 0.00 O ATOM 0 H TYR A 79 3.928 1.697 -4.043 1.00 0.00 H new ATOM 0 HA TYR A 79 1.375 0.866 -2.795 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.732 3.179 -4.726 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.297 2.757 -3.813 1.00 0.00 H new ATOM 0 HD1 TYR A 79 0.723 2.686 -1.137 1.00 0.00 H new ATOM 0 HD2 TYR A 79 3.020 4.948 -3.923 1.00 0.00 H new ATOM 0 HE1 TYR A 79 1.428 4.191 0.670 1.00 0.00 H new ATOM 0 HE2 TYR A 79 3.727 6.455 -2.119 1.00 0.00 H new ATOM 0 HH TYR A 79 3.144 7.161 0.035 1.00 0.00 H new ATOM 1118 N PHE A 80 0.947 -0.567 -4.756 1.00 0.00 N ATOM 1119 CA PHE A 80 0.632 -1.416 -5.898 1.00 0.00 C ATOM 1120 C PHE A 80 -0.561 -2.318 -5.592 1.00 0.00 C ATOM 1121 O PHE A 80 -0.841 -2.616 -4.431 1.00 0.00 O ATOM 1122 CB PHE A 80 1.845 -2.267 -6.277 1.00 0.00 C ATOM 1123 CG PHE A 80 2.338 -3.142 -5.159 1.00 0.00 C ATOM 1124 CD1 PHE A 80 1.602 -4.241 -4.746 1.00 0.00 C ATOM 1125 CD2 PHE A 80 3.537 -2.863 -4.522 1.00 0.00 C ATOM 1126 CE1 PHE A 80 2.053 -5.047 -3.717 1.00 0.00 C ATOM 1127 CE2 PHE A 80 3.992 -3.667 -3.492 1.00 0.00 C ATOM 1128 CZ PHE A 80 3.249 -4.760 -3.091 1.00 0.00 C ATOM 0 H PHE A 80 0.588 -0.909 -3.865 1.00 0.00 H new ATOM 0 HA PHE A 80 0.372 -0.772 -6.738 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.587 -2.893 -7.131 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.654 -1.610 -6.597 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.666 -4.471 -5.233 1.00 0.00 H new ATOM 0 HD2 PHE A 80 4.122 -2.010 -4.833 1.00 0.00 H new ATOM 0 HE1 PHE A 80 1.470 -5.900 -3.403 1.00 0.00 H new ATOM 0 HE2 PHE A 80 4.927 -3.440 -3.002 1.00 0.00 H new ATOM 0 HZ PHE A 80 3.604 -5.390 -2.288 1.00 0.00 H new ATOM 1138 N PRO A 81 -1.280 -2.770 -6.633 1.00 0.00 N ATOM 1139 CA PRO A 81 -2.445 -3.645 -6.470 1.00 0.00 C ATOM 1140 C PRO A 81 -2.120 -4.885 -5.644 1.00 0.00 C ATOM 1141 O PRO A 81 -1.264 -5.687 -6.018 1.00 0.00 O ATOM 1142 CB PRO A 81 -2.822 -4.037 -7.907 1.00 0.00 C ATOM 1143 CG PRO A 81 -1.663 -3.626 -8.755 1.00 0.00 C ATOM 1144 CD PRO A 81 -1.019 -2.470 -8.047 1.00 0.00 C ATOM 0 HA PRO A 81 -3.253 -3.145 -5.935 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.004 -5.109 -7.986 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -3.736 -3.534 -8.223 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -0.959 -4.449 -8.878 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -1.993 -3.337 -9.753 1.00 0.00 H new ATOM 0 HD2 PRO A 81 0.049 -2.410 -8.258 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -1.457 -1.518 -8.346 1.00 0.00 H new ATOM 1152 N SER A 82 -2.810 -5.035 -4.519 1.00 0.00 N ATOM 1153 CA SER A 82 -2.597 -6.176 -3.635 1.00 0.00 C ATOM 1154 C SER A 82 -3.020 -7.485 -4.300 1.00 0.00 C ATOM 1155 O SER A 82 -2.676 -8.568 -3.828 1.00 0.00 O ATOM 1156 CB SER A 82 -3.371 -5.982 -2.329 1.00 0.00 C ATOM 1157 OG SER A 82 -4.763 -5.874 -2.570 1.00 0.00 O ATOM 0 H SER A 82 -3.523 -4.380 -4.197 1.00 0.00 H new ATOM 0 HA SER A 82 -1.530 -6.236 -3.419 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.179 -6.822 -1.661 1.00 0.00 H new ATOM 0 HB3 SER A 82 -3.016 -5.084 -1.823 1.00 0.00 H new ATOM 0 HG SER A 82 -5.159 -5.251 -1.925 1.00 0.00 H new ATOM 1163 N SER A 83 -3.771 -7.383 -5.395 1.00 0.00 N ATOM 1164 CA SER A 83 -4.243 -8.560 -6.118 1.00 0.00 C ATOM 1165 C SER A 83 -3.117 -9.567 -6.347 1.00 0.00 C ATOM 1166 O SER A 83 -3.282 -10.762 -6.103 1.00 0.00 O ATOM 1167 CB SER A 83 -4.851 -8.147 -7.460 1.00 0.00 C ATOM 1168 OG SER A 83 -4.113 -7.091 -8.051 1.00 0.00 O ATOM 0 H SER A 83 -4.066 -6.495 -5.801 1.00 0.00 H new ATOM 0 HA SER A 83 -5.006 -9.040 -5.506 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.869 -9.004 -8.134 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.885 -7.835 -7.314 1.00 0.00 H new ATOM 0 HG SER A 83 -4.521 -6.847 -8.908 1.00 0.00 H new ATOM 1174 N ILE A 84 -1.975 -9.078 -6.822 1.00 0.00 N ATOM 1175 CA ILE A 84 -0.827 -9.929 -7.088 1.00 0.00 C ATOM 1176 C ILE A 84 -0.411 -10.717 -5.849 1.00 0.00 C ATOM 1177 O ILE A 84 0.146 -11.809 -5.958 1.00 0.00 O ATOM 1178 CB ILE A 84 0.369 -9.097 -7.581 1.00 0.00 C ATOM 1179 CG1 ILE A 84 -0.069 -8.126 -8.683 1.00 0.00 C ATOM 1180 CG2 ILE A 84 1.467 -10.012 -8.081 1.00 0.00 C ATOM 1181 CD1 ILE A 84 -0.035 -6.676 -8.258 1.00 0.00 C ATOM 0 H ILE A 84 -1.823 -8.091 -7.030 1.00 0.00 H new ATOM 0 HA ILE A 84 -1.127 -10.632 -7.865 1.00 0.00 H new ATOM 0 HB ILE A 84 0.756 -8.511 -6.747 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.578 -8.257 -9.550 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.081 -8.380 -8.999 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.309 -9.414 -8.428 1.00 0.00 H new ATOM 0 HG22 ILE A 84 1.794 -10.664 -7.271 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.089 -10.618 -8.904 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.357 -6.046 -9.087 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.704 -6.530 -7.410 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.981 -6.405 -7.970 1.00 0.00 H new ATOM 1193 N VAL A 85 -0.685 -10.161 -4.675 1.00 0.00 N ATOM 1194 CA VAL A 85 -0.337 -10.818 -3.420 1.00 0.00 C ATOM 1195 C VAL A 85 -1.579 -11.380 -2.733 1.00 0.00 C ATOM 1196 O VAL A 85 -2.684 -10.870 -2.913 1.00 0.00 O ATOM 1197 CB VAL A 85 0.375 -9.849 -2.456 1.00 0.00 C ATOM 1198 CG1 VAL A 85 1.707 -9.401 -3.036 1.00 0.00 C ATOM 1199 CG2 VAL A 85 -0.512 -8.652 -2.149 1.00 0.00 C ATOM 0 H VAL A 85 -1.146 -9.258 -4.565 1.00 0.00 H new ATOM 0 HA VAL A 85 0.341 -11.635 -3.667 1.00 0.00 H new ATOM 0 HB VAL A 85 0.571 -10.375 -1.521 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.195 -8.717 -2.341 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.344 -10.270 -3.197 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.538 -8.894 -3.986 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.008 -7.979 -1.467 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.743 -8.124 -3.074 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.437 -8.994 -1.686 1.00 0.00 H new ATOM 1209 N ARG A 86 -1.391 -12.433 -1.943 1.00 0.00 N ATOM 1210 CA ARG A 86 -2.496 -13.061 -1.229 1.00 0.00 C ATOM 1211 C ARG A 86 -2.320 -12.915 0.280 1.00 0.00 C ATOM 1212 O ARG A 86 -1.351 -13.413 0.852 1.00 0.00 O ATOM 1213 CB ARG A 86 -2.598 -14.541 -1.606 1.00 0.00 C ATOM 1214 CG ARG A 86 -3.983 -14.952 -2.082 1.00 0.00 C ATOM 1215 CD ARG A 86 -4.255 -16.424 -1.813 1.00 0.00 C ATOM 1216 NE ARG A 86 -3.176 -17.282 -2.301 1.00 0.00 N ATOM 1217 CZ ARG A 86 -2.181 -17.736 -1.540 1.00 0.00 C ATOM 1218 NH1 ARG A 86 -2.114 -17.417 -0.253 1.00 0.00 N ATOM 1219 NH2 ARG A 86 -1.247 -18.514 -2.070 1.00 0.00 N ATOM 0 H ARG A 86 -0.483 -12.869 -1.782 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.418 -12.557 -1.518 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.873 -14.759 -2.391 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.324 -15.147 -0.743 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.736 -14.345 -1.579 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.075 -14.754 -3.150 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -4.384 -16.578 -0.742 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -5.191 -16.712 -2.291 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.186 -17.550 -3.285 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.829 -16.819 0.162 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.348 -17.770 0.321 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -1.291 -18.763 -3.058 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -0.484 -18.863 -1.490 1.00 0.00 H new ATOM 1233 N GLU A 87 -3.262 -12.228 0.918 1.00 0.00 N ATOM 1234 CA GLU A 87 -3.210 -12.016 2.360 1.00 0.00 C ATOM 1235 C GLU A 87 -3.507 -13.307 3.114 1.00 0.00 C ATOM 1236 O GLU A 87 -4.369 -14.088 2.713 1.00 0.00 O ATOM 1237 CB GLU A 87 -4.204 -10.929 2.775 1.00 0.00 C ATOM 1238 CG GLU A 87 -4.154 -9.689 1.896 1.00 0.00 C ATOM 1239 CD GLU A 87 -5.534 -9.184 1.521 1.00 0.00 C ATOM 1240 OE1 GLU A 87 -6.489 -9.445 2.283 1.00 0.00 O ATOM 1241 OE2 GLU A 87 -5.659 -8.530 0.465 1.00 0.00 O ATOM 0 H GLU A 87 -4.071 -11.809 0.459 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.201 -11.693 2.616 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -5.212 -11.342 2.749 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.004 -10.641 3.807 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.612 -8.900 2.417 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -3.594 -9.914 0.988 1.00 0.00 H new ATOM 1248 N ASP A 88 -2.785 -13.522 4.209 1.00 0.00 N ATOM 1249 CA ASP A 88 -2.971 -14.718 5.020 1.00 0.00 C ATOM 1250 C ASP A 88 -3.009 -14.378 6.502 1.00 0.00 C ATOM 1251 O ASP A 88 -3.846 -14.887 7.248 1.00 0.00 O ATOM 1252 CB ASP A 88 -1.855 -15.727 4.743 1.00 0.00 C ATOM 1253 CG ASP A 88 -2.368 -17.152 4.680 1.00 0.00 C ATOM 1254 OD1 ASP A 88 -3.152 -17.540 5.572 1.00 0.00 O ATOM 1255 OD2 ASP A 88 -1.986 -17.880 3.740 1.00 0.00 O ATOM 0 H ASP A 88 -2.067 -12.885 4.554 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.929 -15.161 4.748 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -1.368 -15.477 3.800 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -1.098 -15.650 5.523 1.00 0.00 H new ATOM 1260 N GLN A 89 -2.092 -13.525 6.920 1.00 0.00 N ATOM 1261 CA GLN A 89 -1.997 -13.115 8.305 1.00 0.00 C ATOM 1262 C GLN A 89 -2.540 -11.704 8.490 1.00 0.00 C ATOM 1263 O GLN A 89 -1.783 -10.733 8.485 1.00 0.00 O ATOM 1264 CB GLN A 89 -0.540 -13.176 8.725 1.00 0.00 C ATOM 1265 CG GLN A 89 -0.327 -13.170 10.229 1.00 0.00 C ATOM 1266 CD GLN A 89 1.114 -13.441 10.615 1.00 0.00 C ATOM 1267 OE1 GLN A 89 2.036 -13.169 9.846 1.00 0.00 O ATOM 1268 NE2 GLN A 89 1.314 -13.980 11.813 1.00 0.00 N ATOM 0 H GLN A 89 -1.395 -13.099 6.309 1.00 0.00 H new ATOM 0 HA GLN A 89 -2.594 -13.784 8.925 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -0.091 -14.078 8.309 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -0.012 -12.327 8.291 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -0.631 -12.204 10.631 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -0.969 -13.923 10.686 1.00 0.00 H new ATOM 0 HE21 GLN A 89 0.519 -14.189 12.417 1.00 0.00 H new ATOM 0 HE22 GLN A 89 2.262 -14.185 12.128 1.00 0.00 H new ATOM 1277 N THR A 90 -3.853 -11.595 8.644 1.00 0.00 N ATOM 1278 CA THR A 90 -4.487 -10.297 8.819 1.00 0.00 C ATOM 1279 C THR A 90 -4.508 -9.878 10.280 1.00 0.00 C ATOM 1280 O THR A 90 -4.570 -10.714 11.182 1.00 0.00 O ATOM 1281 CB THR A 90 -5.907 -10.303 8.261 1.00 0.00 C ATOM 1282 OG1 THR A 90 -6.597 -11.477 8.649 1.00 0.00 O ATOM 1283 CG2 THR A 90 -5.958 -10.212 6.752 1.00 0.00 C ATOM 0 H THR A 90 -4.496 -12.386 8.651 1.00 0.00 H new ATOM 0 HA THR A 90 -3.892 -9.572 8.264 1.00 0.00 H new ATOM 0 HB THR A 90 -6.383 -9.415 8.677 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.505 -11.459 8.282 1.00 0.00 H new ATOM 0 HG21 THR A 90 -6.997 -10.221 6.422 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.482 -9.287 6.427 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.432 -11.062 6.318 1.00 0.00 H new ATOM 1291 N LEU A 91 -4.456 -8.572 10.499 1.00 0.00 N ATOM 1292 CA LEU A 91 -4.467 -8.013 11.842 1.00 0.00 C ATOM 1293 C LEU A 91 -4.991 -6.579 11.823 1.00 0.00 C ATOM 1294 O LEU A 91 -4.651 -5.773 12.688 1.00 0.00 O ATOM 1295 CB LEU A 91 -3.057 -8.049 12.435 1.00 0.00 C ATOM 1296 CG LEU A 91 -2.988 -8.401 13.921 1.00 0.00 C ATOM 1297 CD1 LEU A 91 -1.560 -8.740 14.323 1.00 0.00 C ATOM 1298 CD2 LEU A 91 -3.523 -7.254 14.765 1.00 0.00 C ATOM 0 H LEU A 91 -4.405 -7.875 9.756 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.131 -8.615 12.463 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.464 -8.774 11.878 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.592 -7.074 12.286 1.00 0.00 H new ATOM 0 HG LEU A 91 -3.611 -9.278 14.097 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.530 -8.988 15.384 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.211 -9.593 13.741 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.915 -7.882 14.132 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.467 -7.522 15.820 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.926 -6.360 14.585 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.561 -7.057 14.496 1.00 0.00 H new ATOM 1310 N LYS A 92 -5.814 -6.270 10.822 1.00 0.00 N ATOM 1311 CA LYS A 92 -6.382 -4.933 10.674 1.00 0.00 C ATOM 1312 C LYS A 92 -7.100 -4.482 11.947 1.00 0.00 C ATOM 1313 O LYS A 92 -8.191 -4.963 12.254 1.00 0.00 O ATOM 1314 CB LYS A 92 -7.356 -4.905 9.495 1.00 0.00 C ATOM 1315 CG LYS A 92 -8.322 -6.078 9.474 1.00 0.00 C ATOM 1316 CD LYS A 92 -9.443 -5.858 8.471 1.00 0.00 C ATOM 1317 CE LYS A 92 -10.105 -7.169 8.079 1.00 0.00 C ATOM 1318 NZ LYS A 92 -11.453 -6.955 7.482 1.00 0.00 N ATOM 0 H LYS A 92 -6.102 -6.930 10.100 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.560 -4.242 10.487 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -7.926 -3.977 9.528 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -6.787 -4.897 8.565 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -7.782 -6.991 9.223 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -8.745 -6.220 10.469 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -10.188 -5.186 8.898 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -9.046 -5.369 7.581 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -9.472 -7.696 7.365 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -10.195 -7.807 8.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -11.870 -7.873 7.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -12.066 -6.475 8.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -11.365 -6.367 6.629 1.00 0.00 H new ATOM 1332 N PRO A 93 -6.501 -3.544 12.703 1.00 0.00 N ATOM 1333 CA PRO A 93 -7.092 -3.027 13.936 1.00 0.00 C ATOM 1334 C PRO A 93 -8.107 -1.917 13.670 1.00 0.00 C ATOM 1335 O PRO A 93 -9.176 -1.879 14.280 1.00 0.00 O ATOM 1336 CB PRO A 93 -5.882 -2.477 14.682 1.00 0.00 C ATOM 1337 CG PRO A 93 -4.967 -2.004 13.604 1.00 0.00 C ATOM 1338 CD PRO A 93 -5.201 -2.904 12.415 1.00 0.00 C ATOM 0 HA PRO A 93 -7.646 -3.789 14.484 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.163 -1.663 15.350 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.410 -3.245 15.295 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.173 -0.964 13.350 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.928 -2.053 13.929 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -5.233 -2.337 11.485 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.406 -3.643 12.311 1.00 0.00 H new ATOM 1346 N GLY A 94 -7.761 -1.016 12.754 1.00 0.00 N ATOM 1347 CA GLY A 94 -8.649 0.085 12.420 1.00 0.00 C ATOM 1348 C GLY A 94 -8.902 0.194 10.927 1.00 0.00 C ATOM 1349 O GLY A 94 -8.245 -0.473 10.129 1.00 0.00 O ATOM 0 H GLY A 94 -6.882 -1.029 12.237 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.599 -0.048 12.938 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.217 1.018 12.781 1.00 0.00 H new ATOM 1353 N LYS A 95 -9.855 1.039 10.551 1.00 0.00 N ATOM 1354 CA LYS A 95 -10.186 1.244 9.158 1.00 0.00 C ATOM 1355 C LYS A 95 -10.745 2.646 8.941 1.00 0.00 C ATOM 1356 O LYS A 95 -11.812 2.816 8.350 1.00 0.00 O ATOM 1357 CB LYS A 95 -11.183 0.188 8.675 1.00 0.00 C ATOM 1358 CG LYS A 95 -12.309 -0.080 9.662 1.00 0.00 C ATOM 1359 CD LYS A 95 -13.617 -0.382 8.949 1.00 0.00 C ATOM 1360 CE LYS A 95 -14.643 -0.980 9.899 1.00 0.00 C ATOM 1361 NZ LYS A 95 -15.746 -1.660 9.168 1.00 0.00 N ATOM 0 H LYS A 95 -10.412 1.594 11.201 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.272 1.142 8.573 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -11.611 0.511 7.726 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -10.650 -0.743 8.483 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -12.040 -0.920 10.302 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -12.439 0.786 10.311 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -14.014 0.534 8.512 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -13.434 -1.074 8.127 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -14.152 -1.693 10.561 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -15.056 -0.193 10.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -16.424 -2.054 9.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -16.231 -0.974 8.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -15.355 -2.428 8.586 1.00 0.00 H new ATOM 1375 N VAL A 96 -10.024 3.645 9.430 1.00 0.00 N ATOM 1376 CA VAL A 96 -10.453 5.031 9.300 1.00 0.00 C ATOM 1377 C VAL A 96 -9.917 5.646 8.017 1.00 0.00 C ATOM 1378 O VAL A 96 -8.759 5.445 7.655 1.00 0.00 O ATOM 1379 CB VAL A 96 -9.995 5.891 10.494 1.00 0.00 C ATOM 1380 CG1 VAL A 96 -10.776 7.195 10.541 1.00 0.00 C ATOM 1381 CG2 VAL A 96 -10.145 5.125 11.800 1.00 0.00 C ATOM 0 H VAL A 96 -9.138 3.522 9.921 1.00 0.00 H new ATOM 0 HA VAL A 96 -11.543 5.018 9.277 1.00 0.00 H new ATOM 0 HB VAL A 96 -8.939 6.128 10.361 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -10.440 7.790 11.390 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -10.610 7.752 9.619 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -11.839 6.979 10.648 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -9.816 5.751 12.629 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.191 4.852 11.944 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -9.536 4.222 11.764 1.00 0.00 H new ATOM 1391 N ASP A 97 -10.770 6.394 7.336 1.00 0.00 N ATOM 1392 CA ASP A 97 -10.396 7.040 6.091 1.00 0.00 C ATOM 1393 C ASP A 97 -9.483 8.230 6.348 1.00 0.00 C ATOM 1394 O ASP A 97 -9.515 8.839 7.418 1.00 0.00 O ATOM 1395 CB ASP A 97 -11.644 7.490 5.330 1.00 0.00 C ATOM 1396 CG ASP A 97 -11.319 8.021 3.948 1.00 0.00 C ATOM 1397 OD1 ASP A 97 -11.024 7.202 3.052 1.00 0.00 O ATOM 1398 OD2 ASP A 97 -11.362 9.255 3.761 1.00 0.00 O ATOM 0 H ASP A 97 -11.732 6.569 7.628 1.00 0.00 H new ATOM 0 HA ASP A 97 -9.853 6.316 5.484 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -12.334 6.651 5.241 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -12.156 8.264 5.902 1.00 0.00 H new ATOM 1403 N VAL A 98 -8.671 8.546 5.354 1.00 0.00 N ATOM 1404 CA VAL A 98 -7.734 9.658 5.446 1.00 0.00 C ATOM 1405 C VAL A 98 -7.575 10.347 4.096 1.00 0.00 C ATOM 1406 O VAL A 98 -6.841 9.871 3.228 1.00 0.00 O ATOM 1407 CB VAL A 98 -6.353 9.187 5.938 1.00 0.00 C ATOM 1408 CG1 VAL A 98 -5.447 10.377 6.212 1.00 0.00 C ATOM 1409 CG2 VAL A 98 -6.498 8.319 7.177 1.00 0.00 C ATOM 0 H VAL A 98 -8.640 8.045 4.466 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.144 10.365 6.167 1.00 0.00 H new ATOM 0 HB VAL A 98 -5.893 8.586 5.153 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -4.476 10.023 6.559 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -5.317 10.954 5.296 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -5.897 11.009 6.978 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.513 7.995 7.511 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -6.979 8.893 7.969 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.106 7.446 6.940 1.00 0.00 H new ATOM 1419 N LYS A 99 -8.268 11.466 3.922 1.00 0.00 N ATOM 1420 CA LYS A 99 -8.205 12.217 2.674 1.00 0.00 C ATOM 1421 C LYS A 99 -6.806 12.776 2.444 1.00 0.00 C ATOM 1422 O LYS A 99 -6.506 13.907 2.825 1.00 0.00 O ATOM 1423 CB LYS A 99 -9.224 13.357 2.688 1.00 0.00 C ATOM 1424 CG LYS A 99 -10.644 12.902 2.984 1.00 0.00 C ATOM 1425 CD LYS A 99 -11.660 13.672 2.154 1.00 0.00 C ATOM 1426 CE LYS A 99 -11.817 15.101 2.649 1.00 0.00 C ATOM 1427 NZ LYS A 99 -10.991 16.056 1.858 1.00 0.00 N ATOM 0 H LYS A 99 -8.880 11.873 4.629 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.443 11.535 1.858 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -8.924 14.092 3.435 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -9.207 13.860 1.721 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.736 11.836 2.777 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -10.858 13.041 4.044 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -11.347 13.680 1.110 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -12.624 13.164 2.194 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -12.866 15.393 2.590 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.529 15.155 3.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -11.214 17.030 2.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -9.983 15.867 2.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -11.199 15.939 0.846 1.00 0.00 H new ATOM 1441 N THR A 100 -5.951 11.975 1.816 1.00 0.00 N ATOM 1442 CA THR A 100 -4.584 12.387 1.534 1.00 0.00 C ATOM 1443 C THR A 100 -4.533 13.308 0.318 1.00 0.00 C ATOM 1444 O THR A 100 -5.374 13.217 -0.577 1.00 0.00 O ATOM 1445 CB THR A 100 -3.704 11.157 1.303 1.00 0.00 C ATOM 1446 OG1 THR A 100 -2.334 11.514 1.302 1.00 0.00 O ATOM 1447 CG2 THR A 100 -3.995 10.441 0.001 1.00 0.00 C ATOM 0 H THR A 100 -6.183 11.036 1.493 1.00 0.00 H new ATOM 0 HA THR A 100 -4.206 12.939 2.395 1.00 0.00 H new ATOM 0 HB THR A 100 -3.936 10.481 2.126 1.00 0.00 H new ATOM 0 HG1 THR A 100 -1.788 10.714 1.155 1.00 0.00 H new ATOM 0 HG21 THR A 100 -3.334 9.580 -0.096 1.00 0.00 H new ATOM 0 HG22 THR A 100 -5.032 10.105 -0.006 1.00 0.00 H new ATOM 0 HG23 THR A 100 -3.829 11.122 -0.834 1.00 0.00 H new ATOM 1455 N ASP A 101 -3.544 14.195 0.294 1.00 0.00 N ATOM 1456 CA ASP A 101 -3.384 15.132 -0.812 1.00 0.00 C ATOM 1457 C ASP A 101 -2.687 14.467 -1.994 1.00 0.00 C ATOM 1458 O ASP A 101 -1.819 13.613 -1.816 1.00 0.00 O ATOM 1459 CB ASP A 101 -2.588 16.357 -0.358 1.00 0.00 C ATOM 1460 CG ASP A 101 -3.443 17.353 0.399 1.00 0.00 C ATOM 1461 OD1 ASP A 101 -4.656 17.431 0.116 1.00 0.00 O ATOM 1462 OD2 ASP A 101 -2.899 18.056 1.277 1.00 0.00 O ATOM 0 H ASP A 101 -2.841 14.285 1.028 1.00 0.00 H new ATOM 0 HA ASP A 101 -4.376 15.450 -1.132 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -1.762 16.036 0.276 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -2.150 16.846 -1.228 1.00 0.00 H new ATOM 1467 N LYS A 102 -3.074 14.864 -3.202 1.00 0.00 N ATOM 1468 CA LYS A 102 -2.486 14.306 -4.415 1.00 0.00 C ATOM 1469 C LYS A 102 -1.093 14.880 -4.656 1.00 0.00 C ATOM 1470 O LYS A 102 -0.153 14.146 -4.956 1.00 0.00 O ATOM 1471 CB LYS A 102 -3.388 14.589 -5.619 1.00 0.00 C ATOM 1472 CG LYS A 102 -4.065 13.348 -6.176 1.00 0.00 C ATOM 1473 CD LYS A 102 -5.127 13.705 -7.204 1.00 0.00 C ATOM 1474 CE LYS A 102 -4.632 13.477 -8.624 1.00 0.00 C ATOM 1475 NZ LYS A 102 -5.416 12.421 -9.324 1.00 0.00 N ATOM 0 H LYS A 102 -3.792 15.570 -3.367 1.00 0.00 H new ATOM 0 HA LYS A 102 -2.395 13.227 -4.286 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -4.152 15.310 -5.329 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -2.794 15.053 -6.406 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -3.318 12.699 -6.634 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -4.521 12.785 -5.362 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -6.020 13.105 -7.029 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -5.416 14.749 -7.082 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -4.697 14.409 -9.185 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -3.580 13.192 -8.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -5.047 12.296 -10.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -5.333 11.525 -8.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -6.416 12.704 -9.370 1.00 0.00 H new ATOM 1489 N TRP A 103 -0.971 16.198 -4.524 1.00 0.00 N ATOM 1490 CA TRP A 103 0.304 16.875 -4.729 1.00 0.00 C ATOM 1491 C TRP A 103 1.408 16.281 -3.860 1.00 0.00 C ATOM 1492 O TRP A 103 2.593 16.412 -4.169 1.00 0.00 O ATOM 1493 CB TRP A 103 0.152 18.357 -4.444 1.00 0.00 C ATOM 1494 CG TRP A 103 -0.104 19.111 -5.689 1.00 0.00 C ATOM 1495 CD1 TRP A 103 -1.232 19.782 -6.019 1.00 0.00 C ATOM 1496 CD2 TRP A 103 0.784 19.240 -6.798 1.00 0.00 C ATOM 1497 NE1 TRP A 103 -1.092 20.327 -7.256 1.00 0.00 N ATOM 1498 CE2 TRP A 103 0.126 20.017 -7.751 1.00 0.00 C ATOM 1499 CE3 TRP A 103 2.073 18.782 -7.077 1.00 0.00 C ATOM 1500 CZ2 TRP A 103 0.686 20.357 -8.960 1.00 0.00 C ATOM 1501 CZ3 TRP A 103 2.646 19.119 -8.293 1.00 0.00 C ATOM 1502 CH2 TRP A 103 1.950 19.904 -9.225 1.00 0.00 C ATOM 0 H TRP A 103 -1.742 16.818 -4.276 1.00 0.00 H new ATOM 0 HA TRP A 103 0.595 16.732 -5.770 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -0.668 18.514 -3.744 1.00 0.00 H new ATOM 0 HB3 TRP A 103 1.056 18.734 -3.966 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -2.109 19.871 -5.395 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -1.798 20.884 -7.737 1.00 0.00 H new ATOM 0 HE3 TRP A 103 2.612 18.179 -6.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 0.147 20.960 -9.675 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 3.642 18.773 -8.527 1.00 0.00 H new ATOM 0 HH2 TRP A 103 2.419 20.154 -10.165 1.00 0.00 H new ATOM 1513 N ASP A 104 1.012 15.627 -2.775 1.00 0.00 N ATOM 1514 CA ASP A 104 1.967 15.012 -1.859 1.00 0.00 C ATOM 1515 C ASP A 104 2.878 14.034 -2.594 1.00 0.00 C ATOM 1516 O ASP A 104 4.102 14.120 -2.502 1.00 0.00 O ATOM 1517 CB ASP A 104 1.231 14.289 -0.729 1.00 0.00 C ATOM 1518 CG ASP A 104 0.955 15.195 0.454 1.00 0.00 C ATOM 1519 OD1 ASP A 104 0.513 16.343 0.234 1.00 0.00 O ATOM 1520 OD2 ASP A 104 1.180 14.757 1.602 1.00 0.00 O ATOM 0 H ASP A 104 0.035 15.508 -2.507 1.00 0.00 H new ATOM 0 HA ASP A 104 2.583 15.804 -1.434 1.00 0.00 H new ATOM 0 HB2 ASP A 104 0.289 13.893 -1.108 1.00 0.00 H new ATOM 0 HB3 ASP A 104 1.825 13.437 -0.399 1.00 0.00 H new ATOM 1525 N PHE A 105 2.272 13.103 -3.324 1.00 0.00 N ATOM 1526 CA PHE A 105 3.029 12.109 -4.075 1.00 0.00 C ATOM 1527 C PHE A 105 3.049 12.449 -5.562 1.00 0.00 C ATOM 1528 O PHE A 105 2.006 12.488 -6.214 1.00 0.00 O ATOM 1529 CB PHE A 105 2.433 10.716 -3.865 1.00 0.00 C ATOM 1530 CG PHE A 105 3.118 9.926 -2.787 1.00 0.00 C ATOM 1531 CD1 PHE A 105 4.352 9.338 -3.019 1.00 0.00 C ATOM 1532 CD2 PHE A 105 2.529 9.772 -1.542 1.00 0.00 C ATOM 1533 CE1 PHE A 105 4.985 8.611 -2.028 1.00 0.00 C ATOM 1534 CE2 PHE A 105 3.158 9.046 -0.549 1.00 0.00 C ATOM 1535 CZ PHE A 105 4.387 8.465 -0.792 1.00 0.00 C ATOM 0 H PHE A 105 1.259 13.017 -3.411 1.00 0.00 H new ATOM 0 HA PHE A 105 4.055 12.116 -3.706 1.00 0.00 H new ATOM 0 HB2 PHE A 105 1.377 10.816 -3.615 1.00 0.00 H new ATOM 0 HB3 PHE A 105 2.488 10.161 -4.802 1.00 0.00 H new ATOM 0 HD1 PHE A 105 4.824 9.449 -3.984 1.00 0.00 H new ATOM 0 HD2 PHE A 105 1.568 10.224 -1.346 1.00 0.00 H new ATOM 0 HE1 PHE A 105 5.946 8.158 -2.220 1.00 0.00 H new ATOM 0 HE2 PHE A 105 2.689 8.933 0.417 1.00 0.00 H new ATOM 0 HZ PHE A 105 4.880 7.897 -0.016 1.00 0.00 H new ATOM 1545 N TYR A 106 4.243 12.695 -6.091 1.00 0.00 N ATOM 1546 CA TYR A 106 4.401 13.032 -7.500 1.00 0.00 C ATOM 1547 C TYR A 106 5.768 12.593 -8.014 1.00 0.00 C ATOM 1548 O TYR A 106 6.796 13.148 -7.625 1.00 0.00 O ATOM 1549 CB TYR A 106 4.225 14.537 -7.709 1.00 0.00 C ATOM 1550 CG TYR A 106 3.552 14.895 -9.015 1.00 0.00 C ATOM 1551 CD1 TYR A 106 4.246 14.823 -10.217 1.00 0.00 C ATOM 1552 CD2 TYR A 106 2.226 15.306 -9.046 1.00 0.00 C ATOM 1553 CE1 TYR A 106 3.635 15.151 -11.413 1.00 0.00 C ATOM 1554 CE2 TYR A 106 1.608 15.633 -10.239 1.00 0.00 C ATOM 1555 CZ TYR A 106 2.316 15.554 -11.418 1.00 0.00 C ATOM 1556 OH TYR A 106 1.706 15.880 -12.607 1.00 0.00 O ATOM 0 H TYR A 106 5.116 12.667 -5.564 1.00 0.00 H new ATOM 0 HA TYR A 106 3.633 12.502 -8.063 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.638 14.943 -6.885 1.00 0.00 H new ATOM 0 HB3 TYR A 106 5.203 15.017 -7.671 1.00 0.00 H new ATOM 0 HD1 TYR A 106 5.278 14.506 -10.217 1.00 0.00 H new ATOM 0 HD2 TYR A 106 1.668 15.371 -8.123 1.00 0.00 H new ATOM 0 HE1 TYR A 106 4.188 15.092 -12.339 1.00 0.00 H new ATOM 0 HE2 TYR A 106 0.575 15.949 -10.246 1.00 0.00 H new ATOM 0 HH TYR A 106 0.777 16.142 -12.437 1.00 0.00 H new ATOM 1566 N CYS A 107 5.773 11.592 -8.887 1.00 0.00 N ATOM 1567 CA CYS A 107 7.015 11.078 -9.454 1.00 0.00 C ATOM 1568 C CYS A 107 7.754 12.168 -10.224 1.00 0.00 C ATOM 1569 O CYS A 107 7.204 12.770 -11.147 1.00 0.00 O ATOM 1570 CB CYS A 107 6.727 9.887 -10.371 1.00 0.00 C ATOM 1571 SG CYS A 107 7.440 8.314 -9.792 1.00 0.00 S ATOM 0 H CYS A 107 4.931 11.120 -9.218 1.00 0.00 H new ATOM 0 HA CYS A 107 7.652 10.747 -8.634 1.00 0.00 H new ATOM 0 HB2 CYS A 107 5.648 9.770 -10.469 1.00 0.00 H new ATOM 0 HB3 CYS A 107 7.116 10.106 -11.366 1.00 0.00 H new ATOM 1576 N GLN A 108 9.001 12.416 -9.840 1.00 0.00 N ATOM 1577 CA GLN A 108 9.816 13.434 -10.496 1.00 0.00 C ATOM 1578 C GLN A 108 9.169 14.810 -10.373 1.00 0.00 C ATOM 1579 O GLN A 108 8.379 15.174 -11.268 1.00 0.00 O ATOM 1580 CB GLN A 108 10.019 13.083 -11.970 1.00 0.00 C ATOM 1581 CG GLN A 108 11.099 12.040 -12.205 1.00 0.00 C ATOM 1582 CD GLN A 108 12.236 12.557 -13.064 1.00 0.00 C ATOM 1583 OE1 GLN A 108 12.076 13.524 -13.809 1.00 0.00 O ATOM 1584 NE2 GLN A 108 13.393 11.914 -12.964 1.00 0.00 N ATOM 1585 OXT GLN A 108 9.459 15.512 -9.381 1.00 0.00 O ATOM 0 H GLN A 108 9.470 11.927 -9.078 1.00 0.00 H new ATOM 0 HA GLN A 108 10.786 13.463 -10.000 1.00 0.00 H new ATOM 0 HB2 GLN A 108 9.078 12.718 -12.381 1.00 0.00 H new ATOM 0 HB3 GLN A 108 10.276 13.989 -12.518 1.00 0.00 H new ATOM 0 HG2 GLN A 108 11.496 11.711 -11.244 1.00 0.00 H new ATOM 0 HG3 GLN A 108 10.656 11.166 -12.683 1.00 0.00 H new ATOM 0 HE21 GLN A 108 13.481 11.117 -12.333 1.00 0.00 H new ATOM 0 HE22 GLN A 108 14.194 12.217 -13.518 1.00 0.00 H new TER 1594 GLN A 108