USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 734 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 39 GLN : amide:sc= -0.636 K(o=-1.5,f=-3.1!) USER MOD Set 1.2: A 105 HIS : no HD1:sc= -0.865 X(o=-1.5,f=-1.2) USER MOD Single : A 1 GLU N :NH3+ -140:sc= 0.0898 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 57:sc= 0.677 USER MOD Single : A 11 GLN : amide:sc= -15.7! C(o=-16!,f=-17!) USER MOD Single : A 14 LYS NZ :NH3+ -114:sc= -0.788 (180deg=-1.85!) USER MOD Single : A 15 ASN : amide:sc= -8.3! C(o=-8.3!,f=-10!) USER MOD Single : A 18 ASN : amide:sc= -2.57! C(o=-2.6!,f=-11!) USER MOD Single : A 25 THR OG1 : rot 180:sc=-0.00699 USER MOD Single : A 26 SER OG : rot -71:sc= 0.238! USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot 83:sc= 0.375 USER MOD Single : A 32 SER OG : rot 5:sc= 0.946 USER MOD Single : A 38 SER OG : rot -97:sc= 1.83 USER MOD Single : A 48 LYS NZ :NH3+ -117:sc= -3.17! (180deg=-8.1!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 170:sc= -15.2! (180deg=-16.5!) USER MOD Single : A 61 GLN : amide:sc= -1.08 X(o=-1.1,f=-1.4) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -1.22 K(o=-1.2,f=-4!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= -2.3! USER MOD Single : A 82 ASN :FLIP amide:sc= -5.04! C(o=-5.7!,f=-5!) USER MOD Single : A 86 SER OG : rot 30:sc= -2.39! USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -24:sc= 1.85 USER MOD Single : A 106 TYR OH : rot -14:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -7.178 -11.759 10.224 1.00 1.00 N ATOM 2 CA GLU A 1 -8.010 -11.756 11.415 1.00 1.00 C ATOM 3 C GLU A 1 -7.608 -10.605 12.340 1.00 1.00 C ATOM 4 O GLU A 1 -6.876 -9.705 11.934 1.00 1.00 O ATOM 5 CB GLU A 1 -7.930 -13.099 12.144 1.00 1.00 C ATOM 6 CG GLU A 1 -9.307 -13.528 12.656 1.00 1.00 C ATOM 7 CD GLU A 1 -9.223 -14.027 14.099 1.00 1.00 C ATOM 8 OE1 GLU A 1 -8.592 -15.087 14.298 1.00 1.00 O ATOM 9 OE2 GLU A 1 -9.794 -13.337 14.971 1.00 1.00 O ATOM 0 H1 GLU A 1 -7.762 -11.984 9.393 1.00 1.00 H new ATOM 0 H2 GLU A 1 -6.746 -10.821 10.100 1.00 1.00 H new ATOM 0 H3 GLU A 1 -6.430 -12.474 10.325 1.00 1.00 H new ATOM 0 HA GLU A 1 -9.046 -11.607 11.110 1.00 1.00 H new ATOM 0 HB2 GLU A 1 -7.535 -13.860 11.470 1.00 1.00 H new ATOM 0 HB3 GLU A 1 -7.235 -13.022 12.980 1.00 1.00 H new ATOM 0 HG2 GLU A 1 -9.999 -12.688 12.598 1.00 1.00 H new ATOM 0 HG3 GLU A 1 -9.707 -14.316 12.018 1.00 1.00 H new ATOM 16 N LYS A 2 -8.107 -10.672 13.566 1.00 1.00 N ATOM 17 CA LYS A 2 -7.809 -9.647 14.552 1.00 1.00 C ATOM 18 C LYS A 2 -6.340 -9.240 14.429 1.00 1.00 C ATOM 19 O LYS A 2 -5.453 -9.960 14.884 1.00 1.00 O ATOM 20 CB LYS A 2 -8.202 -10.121 15.953 1.00 1.00 C ATOM 21 CG LYS A 2 -9.095 -9.092 16.649 1.00 1.00 C ATOM 22 CD LYS A 2 -9.426 -9.532 18.077 1.00 1.00 C ATOM 23 CE LYS A 2 -8.806 -8.581 19.101 1.00 1.00 C ATOM 24 NZ LYS A 2 -8.583 -9.279 20.387 1.00 1.00 N ATOM 0 H LYS A 2 -8.715 -11.420 13.899 1.00 1.00 H new ATOM 0 HA LYS A 2 -8.404 -8.753 14.365 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -8.725 -11.075 15.885 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -7.305 -10.291 16.548 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -8.594 -8.124 16.669 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -10.017 -8.962 16.082 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -10.507 -9.561 18.211 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -9.056 -10.544 18.245 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -7.860 -8.194 18.721 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -9.462 -7.724 19.254 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -8.161 -8.619 21.072 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -9.491 -9.627 20.755 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -7.939 -10.082 20.239 1.00 1.00 H new ATOM 38 N PRO A 3 -6.122 -8.055 13.797 1.00 1.00 N ATOM 39 CA PRO A 3 -4.776 -7.543 13.610 1.00 1.00 C ATOM 40 C PRO A 3 -4.213 -6.987 14.919 1.00 1.00 C ATOM 41 O PRO A 3 -4.789 -7.197 15.985 1.00 1.00 O ATOM 42 CB PRO A 3 -4.904 -6.488 12.523 1.00 1.00 C ATOM 43 CG PRO A 3 -6.378 -6.120 12.470 1.00 1.00 C ATOM 44 CD PRO A 3 -7.149 -7.175 13.247 1.00 1.00 C ATOM 0 HA PRO A 3 -4.069 -8.318 13.314 1.00 1.00 H new ATOM 0 HB2 PRO A 3 -4.292 -5.616 12.752 1.00 1.00 H new ATOM 0 HB3 PRO A 3 -4.563 -6.874 11.562 1.00 1.00 H new ATOM 0 HG2 PRO A 3 -6.541 -5.133 12.902 1.00 1.00 H new ATOM 0 HG3 PRO A 3 -6.724 -6.077 11.437 1.00 1.00 H new ATOM 0 HD2 PRO A 3 -7.749 -6.725 14.038 1.00 1.00 H new ATOM 0 HD3 PRO A 3 -7.834 -7.722 12.599 1.00 1.00 H new ATOM 52 N ALA A 4 -3.094 -6.288 14.796 1.00 1.00 N ATOM 53 CA ALA A 4 -2.447 -5.699 15.956 1.00 1.00 C ATOM 54 C ALA A 4 -3.297 -4.535 16.473 1.00 1.00 C ATOM 55 O ALA A 4 -4.525 -4.589 16.425 1.00 1.00 O ATOM 56 CB ALA A 4 -1.028 -5.266 15.586 1.00 1.00 C ATOM 0 H ALA A 4 -2.619 -6.116 13.910 1.00 1.00 H new ATOM 0 HA ALA A 4 -2.364 -6.430 16.761 1.00 1.00 H new ATOM 0 HB1 ALA A 4 -0.544 -4.824 16.457 1.00 1.00 H new ATOM 0 HB2 ALA A 4 -0.458 -6.134 15.255 1.00 1.00 H new ATOM 0 HB3 ALA A 4 -1.070 -4.531 14.782 1.00 1.00 H new ATOM 62 N ALA A 5 -2.608 -3.512 16.955 1.00 1.00 N ATOM 63 CA ALA A 5 -3.283 -2.337 17.480 1.00 1.00 C ATOM 64 C ALA A 5 -2.817 -1.099 16.709 1.00 1.00 C ATOM 65 O ALA A 5 -3.609 -0.199 16.437 1.00 1.00 O ATOM 66 CB ALA A 5 -3.016 -2.222 18.981 1.00 1.00 C ATOM 0 H ALA A 5 -1.590 -3.472 16.993 1.00 1.00 H new ATOM 0 HA ALA A 5 -4.361 -2.423 17.346 1.00 1.00 H new ATOM 0 HB1 ALA A 5 -3.522 -1.341 19.374 1.00 1.00 H new ATOM 0 HB2 ALA A 5 -3.391 -3.112 19.487 1.00 1.00 H new ATOM 0 HB3 ALA A 5 -1.944 -2.132 19.154 1.00 1.00 H new ATOM 72 N CYS A 6 -1.533 -1.096 16.379 1.00 1.00 N ATOM 73 CA CYS A 6 -0.953 0.016 15.645 1.00 1.00 C ATOM 74 C CYS A 6 -1.539 0.017 14.233 1.00 1.00 C ATOM 75 O CYS A 6 -1.349 0.971 13.479 1.00 1.00 O ATOM 76 CB CYS A 6 0.576 -0.054 15.629 1.00 1.00 C ATOM 77 SG CYS A 6 1.385 0.466 17.186 1.00 1.00 S ATOM 0 H CYS A 6 -0.879 -1.845 16.606 1.00 1.00 H new ATOM 0 HA CYS A 6 -1.203 0.954 16.141 1.00 1.00 H new ATOM 0 HB2 CYS A 6 0.876 -1.077 15.404 1.00 1.00 H new ATOM 0 HB3 CYS A 6 0.946 0.572 14.817 1.00 1.00 H new ATOM 82 N ARG A 7 -2.239 -1.061 13.915 1.00 1.00 N ATOM 83 CA ARG A 7 -2.854 -1.196 12.607 1.00 1.00 C ATOM 84 C ARG A 7 -4.234 -0.535 12.597 1.00 1.00 C ATOM 85 O ARG A 7 -4.976 -0.652 11.623 1.00 1.00 O ATOM 86 CB ARG A 7 -2.999 -2.668 12.215 1.00 1.00 C ATOM 87 CG ARG A 7 -1.846 -3.500 12.777 1.00 1.00 C ATOM 88 CD ARG A 7 -1.257 -4.418 11.703 1.00 1.00 C ATOM 89 NE ARG A 7 -1.585 -5.829 12.006 1.00 1.00 N ATOM 90 CZ ARG A 7 -0.744 -6.684 12.602 1.00 1.00 C ATOM 91 NH1 ARG A 7 0.481 -6.278 12.963 1.00 1.00 N ATOM 92 NH2 ARG A 7 -1.128 -7.946 12.840 1.00 1.00 N ATOM 0 H ARG A 7 -2.394 -1.850 14.542 1.00 1.00 H new ATOM 0 HA ARG A 7 -2.205 -0.701 11.884 1.00 1.00 H new ATOM 0 HB2 ARG A 7 -3.947 -3.056 12.587 1.00 1.00 H new ATOM 0 HB3 ARG A 7 -3.022 -2.758 11.129 1.00 1.00 H new ATOM 0 HG2 ARG A 7 -1.069 -2.839 13.161 1.00 1.00 H new ATOM 0 HG3 ARG A 7 -2.200 -4.098 13.617 1.00 1.00 H new ATOM 0 HD2 ARG A 7 -1.653 -4.146 10.724 1.00 1.00 H new ATOM 0 HD3 ARG A 7 -0.176 -4.290 11.657 1.00 1.00 H new ATOM 0 HE ARG A 7 -2.509 -6.172 11.745 1.00 1.00 H new ATOM 0 HH11 ARG A 7 0.773 -5.317 12.784 1.00 1.00 H new ATOM 0 HH12 ARG A 7 1.121 -6.930 13.417 1.00 1.00 H new ATOM 0 HH21 ARG A 7 -2.061 -8.255 12.567 1.00 1.00 H new ATOM 0 HH22 ARG A 7 -0.487 -8.597 13.294 1.00 1.00 H new ATOM 106 N CYS A 8 -4.535 0.146 13.694 1.00 1.00 N ATOM 107 CA CYS A 8 -5.813 0.826 13.824 1.00 1.00 C ATOM 108 C CYS A 8 -5.560 2.214 14.417 1.00 1.00 C ATOM 109 O CYS A 8 -5.932 3.224 13.821 1.00 1.00 O ATOM 110 CB CYS A 8 -6.801 0.017 14.666 1.00 1.00 C ATOM 111 SG CYS A 8 -6.570 -1.796 14.590 1.00 1.00 S ATOM 0 H CYS A 8 -3.917 0.241 14.500 1.00 1.00 H new ATOM 0 HA CYS A 8 -6.274 0.930 12.842 1.00 1.00 H new ATOM 0 HB2 CYS A 8 -6.718 0.336 15.705 1.00 1.00 H new ATOM 0 HB3 CYS A 8 -7.814 0.254 14.340 1.00 1.00 H new ATOM 116 N SER A 9 -4.931 2.218 15.583 1.00 1.00 N ATOM 117 CA SER A 9 -4.624 3.465 16.262 1.00 1.00 C ATOM 118 C SER A 9 -3.904 4.419 15.306 1.00 1.00 C ATOM 119 O SER A 9 -2.675 4.461 15.275 1.00 1.00 O ATOM 120 CB SER A 9 -3.771 3.218 17.508 1.00 1.00 C ATOM 121 OG SER A 9 -2.380 3.181 17.204 1.00 1.00 O ATOM 0 H SER A 9 -4.626 1.378 16.074 1.00 1.00 H new ATOM 0 HA SER A 9 -5.562 3.920 16.581 1.00 1.00 H new ATOM 0 HB2 SER A 9 -3.961 4.004 18.239 1.00 1.00 H new ATOM 0 HB3 SER A 9 -4.067 2.275 17.969 1.00 1.00 H new ATOM 0 HG SER A 9 -2.118 4.018 16.767 1.00 1.00 H new ATOM 127 N ARG A 10 -4.700 5.160 14.550 1.00 1.00 N ATOM 128 CA ARG A 10 -4.153 6.111 13.597 1.00 1.00 C ATOM 129 C ARG A 10 -3.552 5.374 12.399 1.00 1.00 C ATOM 130 O ARG A 10 -2.651 5.888 11.738 1.00 1.00 O ATOM 131 CB ARG A 10 -3.076 6.983 14.244 1.00 1.00 C ATOM 132 CG ARG A 10 -3.094 8.398 13.663 1.00 1.00 C ATOM 133 CD ARG A 10 -4.265 9.207 14.224 1.00 1.00 C ATOM 134 NE ARG A 10 -5.150 9.648 13.123 1.00 1.00 N ATOM 135 CZ ARG A 10 -4.958 10.764 12.406 1.00 1.00 C ATOM 136 NH1 ARG A 10 -3.912 11.558 12.670 1.00 1.00 N ATOM 137 NH2 ARG A 10 -5.812 11.084 11.425 1.00 1.00 N ATOM 0 H ARG A 10 -5.719 5.121 14.578 1.00 1.00 H new ATOM 0 HA ARG A 10 -4.969 6.752 13.262 1.00 1.00 H new ATOM 0 HB2 ARG A 10 -3.237 7.026 15.321 1.00 1.00 H new ATOM 0 HB3 ARG A 10 -2.096 6.534 14.086 1.00 1.00 H new ATOM 0 HG2 ARG A 10 -2.156 8.902 13.894 1.00 1.00 H new ATOM 0 HG3 ARG A 10 -3.169 8.348 12.577 1.00 1.00 H new ATOM 0 HD2 ARG A 10 -4.829 8.602 14.934 1.00 1.00 H new ATOM 0 HD3 ARG A 10 -3.891 10.073 14.770 1.00 1.00 H new ATOM 0 HE ARG A 10 -5.956 9.066 12.896 1.00 1.00 H new ATOM 0 HH11 ARG A 10 -3.262 11.313 13.417 1.00 1.00 H new ATOM 0 HH12 ARG A 10 -3.766 12.407 12.124 1.00 1.00 H new ATOM 0 HH21 ARG A 10 -6.608 10.479 11.224 1.00 1.00 H new ATOM 0 HH22 ARG A 10 -5.666 11.933 10.879 1.00 1.00 H new ATOM 151 N GLN A 11 -4.075 4.182 12.155 1.00 1.00 N ATOM 152 CA GLN A 11 -3.601 3.369 11.048 1.00 1.00 C ATOM 153 C GLN A 11 -3.082 4.260 9.918 1.00 1.00 C ATOM 154 O GLN A 11 -1.890 4.254 9.615 1.00 1.00 O ATOM 155 CB GLN A 11 -4.700 2.431 10.546 1.00 1.00 C ATOM 156 CG GLN A 11 -6.086 3.023 10.806 1.00 1.00 C ATOM 157 CD GLN A 11 -7.039 2.721 9.648 1.00 1.00 C ATOM 158 OE1 GLN A 11 -7.825 3.551 9.222 1.00 1.00 O ATOM 159 NE2 GLN A 11 -6.927 1.486 9.163 1.00 1.00 N ATOM 0 H GLN A 11 -4.823 3.759 12.705 1.00 1.00 H new ATOM 0 HA GLN A 11 -2.777 2.751 11.404 1.00 1.00 H new ATOM 0 HB2 GLN A 11 -4.571 2.252 9.478 1.00 1.00 H new ATOM 0 HB3 GLN A 11 -4.614 1.465 11.043 1.00 1.00 H new ATOM 0 HG2 GLN A 11 -6.492 2.614 11.731 1.00 1.00 H new ATOM 0 HG3 GLN A 11 -6.005 4.101 10.943 1.00 1.00 H new ATOM 0 HE21 GLN A 11 -6.248 0.840 9.565 1.00 1.00 H new ATOM 0 HE22 GLN A 11 -7.520 1.186 8.389 1.00 1.00 H new ATOM 168 N ASP A 12 -4.002 5.008 9.327 1.00 1.00 N ATOM 169 CA ASP A 12 -3.653 5.903 8.238 1.00 1.00 C ATOM 170 C ASP A 12 -3.962 7.344 8.649 1.00 1.00 C ATOM 171 O ASP A 12 -4.919 7.593 9.381 1.00 1.00 O ATOM 172 CB ASP A 12 -4.465 5.586 6.981 1.00 1.00 C ATOM 173 CG ASP A 12 -4.340 6.612 5.854 1.00 1.00 C ATOM 174 OD1 ASP A 12 -4.907 7.713 6.022 1.00 1.00 O ATOM 175 OD2 ASP A 12 -3.678 6.272 4.848 1.00 1.00 O ATOM 0 H ASP A 12 -4.990 5.012 9.582 1.00 1.00 H new ATOM 0 HA ASP A 12 -2.592 5.774 8.023 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -4.154 4.613 6.602 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -5.516 5.499 7.258 1.00 1.00 H new ATOM 180 N PRO A 13 -3.113 8.281 8.147 1.00 1.00 N ATOM 181 CA PRO A 13 -3.286 9.691 8.455 1.00 1.00 C ATOM 182 C PRO A 13 -4.458 10.282 7.669 1.00 1.00 C ATOM 183 O PRO A 13 -4.273 11.194 6.864 1.00 1.00 O ATOM 184 CB PRO A 13 -1.953 10.334 8.109 1.00 1.00 C ATOM 185 CG PRO A 13 -1.242 9.355 7.191 1.00 1.00 C ATOM 186 CD PRO A 13 -1.969 8.023 7.277 1.00 1.00 C ATOM 0 HA PRO A 13 -3.538 9.867 9.501 1.00 1.00 H new ATOM 0 HB2 PRO A 13 -2.100 11.295 7.616 1.00 1.00 H new ATOM 0 HB3 PRO A 13 -1.366 10.523 9.008 1.00 1.00 H new ATOM 0 HG2 PRO A 13 -1.242 9.724 6.165 1.00 1.00 H new ATOM 0 HG3 PRO A 13 -0.200 9.241 7.489 1.00 1.00 H new ATOM 0 HD2 PRO A 13 -2.289 7.682 6.292 1.00 1.00 H new ATOM 0 HD3 PRO A 13 -1.325 7.246 7.689 1.00 1.00 H new ATOM 194 N LYS A 14 -5.638 9.741 7.931 1.00 1.00 N ATOM 195 CA LYS A 14 -6.840 10.204 7.258 1.00 1.00 C ATOM 196 C LYS A 14 -6.963 9.504 5.904 1.00 1.00 C ATOM 197 O LYS A 14 -6.290 9.878 4.945 1.00 1.00 O ATOM 198 CB LYS A 14 -6.847 11.731 7.165 1.00 1.00 C ATOM 199 CG LYS A 14 -8.275 12.267 7.043 1.00 1.00 C ATOM 200 CD LYS A 14 -8.396 13.653 7.679 1.00 1.00 C ATOM 201 CE LYS A 14 -7.945 13.627 9.141 1.00 1.00 C ATOM 202 NZ LYS A 14 -6.575 14.170 9.271 1.00 1.00 N ATOM 0 H LYS A 14 -5.788 8.986 8.600 1.00 1.00 H new ATOM 0 HA LYS A 14 -7.726 9.939 7.835 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -6.370 12.155 8.049 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -6.261 12.049 6.303 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -8.559 12.319 5.992 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -8.968 11.579 7.527 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -7.791 14.367 7.121 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -9.429 13.995 7.619 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -8.634 14.212 9.750 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -7.975 12.605 9.519 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -5.929 13.414 9.577 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -6.261 14.543 8.352 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -6.570 14.935 9.975 1.00 1.00 H new ATOM 216 N ASN A 15 -7.829 8.502 5.867 1.00 1.00 N ATOM 217 CA ASN A 15 -8.049 7.746 4.646 1.00 1.00 C ATOM 218 C ASN A 15 -9.478 7.987 4.153 1.00 1.00 C ATOM 219 O ASN A 15 -9.751 7.886 2.958 1.00 1.00 O ATOM 220 CB ASN A 15 -7.879 6.245 4.888 1.00 1.00 C ATOM 221 CG ASN A 15 -6.513 5.761 4.399 1.00 1.00 C ATOM 222 OD1 ASN A 15 -5.844 6.407 3.608 1.00 1.00 O ATOM 223 ND2 ASN A 15 -6.137 4.593 4.910 1.00 1.00 N ATOM 0 H ASN A 15 -8.387 8.196 6.664 1.00 1.00 H new ATOM 0 HA ASN A 15 -7.318 8.077 3.909 1.00 1.00 H new ATOM 0 HB2 ASN A 15 -7.985 6.030 5.951 1.00 1.00 H new ATOM 0 HB3 ASN A 15 -8.668 5.698 4.372 1.00 1.00 H new ATOM 0 HD21 ASN A 15 -5.240 4.185 4.645 1.00 1.00 H new ATOM 0 HD22 ASN A 15 -6.745 4.105 5.567 1.00 1.00 H new ATOM 230 N ARG A 16 -10.350 8.301 5.099 1.00 1.00 N ATOM 231 CA ARG A 16 -11.744 8.557 4.775 1.00 1.00 C ATOM 232 C ARG A 16 -12.420 7.274 4.289 1.00 1.00 C ATOM 233 O ARG A 16 -13.565 7.304 3.840 1.00 1.00 O ATOM 234 CB ARG A 16 -11.870 9.634 3.696 1.00 1.00 C ATOM 235 CG ARG A 16 -12.826 10.743 4.137 1.00 1.00 C ATOM 236 CD ARG A 16 -12.366 12.104 3.611 1.00 1.00 C ATOM 237 NE ARG A 16 -12.976 13.190 4.412 1.00 1.00 N ATOM 238 CZ ARG A 16 -12.710 13.407 5.707 1.00 1.00 C ATOM 239 NH1 ARG A 16 -11.843 12.617 6.356 1.00 1.00 N ATOM 240 NH2 ARG A 16 -13.311 14.416 6.355 1.00 1.00 N ATOM 0 H ARG A 16 -10.119 8.384 6.089 1.00 1.00 H new ATOM 0 HA ARG A 16 -12.236 8.909 5.682 1.00 1.00 H new ATOM 0 HB2 ARG A 16 -10.888 10.058 3.484 1.00 1.00 H new ATOM 0 HB3 ARG A 16 -12.230 9.186 2.770 1.00 1.00 H new ATOM 0 HG2 ARG A 16 -13.830 10.529 3.772 1.00 1.00 H new ATOM 0 HG3 ARG A 16 -12.881 10.769 5.225 1.00 1.00 H new ATOM 0 HD2 ARG A 16 -11.279 12.173 3.658 1.00 1.00 H new ATOM 0 HD3 ARG A 16 -12.647 12.212 2.563 1.00 1.00 H new ATOM 0 HE ARG A 16 -13.640 13.811 3.949 1.00 1.00 H new ATOM 0 HH11 ARG A 16 -11.385 11.850 5.864 1.00 1.00 H new ATOM 0 HH12 ARG A 16 -11.641 12.783 7.342 1.00 1.00 H new ATOM 0 HH21 ARG A 16 -13.970 15.018 5.862 1.00 1.00 H new ATOM 0 HH22 ARG A 16 -13.109 14.581 7.341 1.00 1.00 H new ATOM 254 N VAL A 17 -11.683 6.178 4.392 1.00 1.00 N ATOM 255 CA VAL A 17 -12.198 4.887 3.968 1.00 1.00 C ATOM 256 C VAL A 17 -12.735 4.132 5.186 1.00 1.00 C ATOM 257 O VAL A 17 -12.163 4.211 6.272 1.00 1.00 O ATOM 258 CB VAL A 17 -11.112 4.113 3.216 1.00 1.00 C ATOM 259 CG1 VAL A 17 -11.674 2.821 2.621 1.00 1.00 C ATOM 260 CG2 VAL A 17 -10.471 4.983 2.133 1.00 1.00 C ATOM 0 H VAL A 17 -10.733 6.157 4.763 1.00 1.00 H new ATOM 0 HA VAL A 17 -13.028 5.016 3.273 1.00 1.00 H new ATOM 0 HB VAL A 17 -10.335 3.842 3.931 1.00 1.00 H new ATOM 0 HG11 VAL A 17 -10.883 2.290 2.092 1.00 1.00 H new ATOM 0 HG12 VAL A 17 -12.062 2.191 3.421 1.00 1.00 H new ATOM 0 HG13 VAL A 17 -12.478 3.061 1.925 1.00 1.00 H new ATOM 0 HG21 VAL A 17 -9.703 4.410 1.613 1.00 1.00 H new ATOM 0 HG22 VAL A 17 -11.233 5.297 1.420 1.00 1.00 H new ATOM 0 HG23 VAL A 17 -10.019 5.862 2.593 1.00 1.00 H new ATOM 270 N ASN A 18 -13.828 3.417 4.963 1.00 1.00 N ATOM 271 CA ASN A 18 -14.449 2.648 6.028 1.00 1.00 C ATOM 272 C ASN A 18 -14.520 1.177 5.615 1.00 1.00 C ATOM 273 O ASN A 18 -14.622 0.866 4.429 1.00 1.00 O ATOM 274 CB ASN A 18 -15.875 3.133 6.297 1.00 1.00 C ATOM 275 CG ASN A 18 -16.690 2.062 7.026 1.00 1.00 C ATOM 276 OD1 ASN A 18 -17.292 1.187 6.426 1.00 1.00 O ATOM 277 ND2 ASN A 18 -16.675 2.180 8.351 1.00 1.00 N ATOM 0 H ASN A 18 -14.299 3.354 4.061 1.00 1.00 H new ATOM 0 HA ASN A 18 -13.849 2.774 6.929 1.00 1.00 H new ATOM 0 HB2 ASN A 18 -15.846 4.044 6.896 1.00 1.00 H new ATOM 0 HB3 ASN A 18 -16.361 3.386 5.355 1.00 1.00 H new ATOM 0 HD21 ASN A 18 -17.188 1.514 8.928 1.00 1.00 H new ATOM 0 HD22 ASN A 18 -16.150 2.937 8.790 1.00 1.00 H new ATOM 284 N CYS A 19 -14.460 0.311 6.616 1.00 1.00 N ATOM 285 CA CYS A 19 -14.516 -1.121 6.372 1.00 1.00 C ATOM 286 C CYS A 19 -15.565 -1.727 7.306 1.00 1.00 C ATOM 287 O CYS A 19 -15.311 -2.740 7.956 1.00 1.00 O ATOM 288 CB CYS A 19 -13.146 -1.778 6.549 1.00 1.00 C ATOM 289 SG CYS A 19 -13.047 -3.513 5.975 1.00 1.00 S ATOM 0 H CYS A 19 -14.373 0.573 7.598 1.00 1.00 H new ATOM 0 HA CYS A 19 -14.804 -1.306 5.337 1.00 1.00 H new ATOM 0 HB2 CYS A 19 -12.404 -1.189 6.010 1.00 1.00 H new ATOM 0 HB3 CYS A 19 -12.876 -1.743 7.604 1.00 1.00 H new ATOM 294 N GLY A 20 -16.721 -1.081 7.344 1.00 1.00 N ATOM 295 CA GLY A 20 -17.810 -1.544 8.188 1.00 1.00 C ATOM 296 C GLY A 20 -18.977 -0.555 8.169 1.00 1.00 C ATOM 297 O GLY A 20 -19.254 0.065 7.144 1.00 1.00 O ATOM 0 H GLY A 20 -16.928 -0.241 6.804 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -18.151 -2.521 7.845 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -17.454 -1.672 9.210 1.00 1.00 H new ATOM 301 N PHE A 21 -19.628 -0.437 9.317 1.00 1.00 N ATOM 302 CA PHE A 21 -20.758 0.468 9.446 1.00 1.00 C ATOM 303 C PHE A 21 -20.664 1.282 10.738 1.00 1.00 C ATOM 304 O PHE A 21 -19.923 0.922 11.651 1.00 1.00 O ATOM 305 CB PHE A 21 -22.020 -0.397 9.494 1.00 1.00 C ATOM 306 CG PHE A 21 -21.818 -1.756 10.168 1.00 1.00 C ATOM 307 CD1 PHE A 21 -21.025 -2.694 9.583 1.00 1.00 C ATOM 308 CD2 PHE A 21 -22.429 -2.026 11.352 1.00 1.00 C ATOM 309 CE1 PHE A 21 -20.837 -3.955 10.208 1.00 1.00 C ATOM 310 CE2 PHE A 21 -22.241 -3.288 11.977 1.00 1.00 C ATOM 311 CZ PHE A 21 -21.449 -4.225 11.391 1.00 1.00 C ATOM 0 H PHE A 21 -19.395 -0.953 10.166 1.00 1.00 H new ATOM 0 HA PHE A 21 -20.773 1.166 8.609 1.00 1.00 H new ATOM 0 HB2 PHE A 21 -22.801 0.147 10.024 1.00 1.00 H new ATOM 0 HB3 PHE A 21 -22.377 -0.557 8.477 1.00 1.00 H new ATOM 0 HD1 PHE A 21 -20.538 -2.479 8.643 1.00 1.00 H new ATOM 0 HD2 PHE A 21 -23.057 -1.281 11.818 1.00 1.00 H new ATOM 0 HE1 PHE A 21 -20.208 -4.700 9.743 1.00 1.00 H new ATOM 0 HE2 PHE A 21 -22.727 -3.503 12.917 1.00 1.00 H new ATOM 0 HZ PHE A 21 -21.306 -5.184 11.866 1.00 1.00 H new ATOM 321 N PRO A 22 -21.444 2.395 10.773 1.00 1.00 N ATOM 322 CA PRO A 22 -21.456 3.265 11.938 1.00 1.00 C ATOM 323 C PRO A 22 -22.244 2.633 13.086 1.00 1.00 C ATOM 324 O PRO A 22 -22.376 3.228 14.154 1.00 1.00 O ATOM 325 CB PRO A 22 -22.062 4.570 11.448 1.00 1.00 C ATOM 326 CG PRO A 22 -22.792 4.232 10.158 1.00 1.00 C ATOM 327 CD PRO A 22 -22.334 2.854 9.711 1.00 1.00 C ATOM 0 HA PRO A 22 -20.460 3.433 12.348 1.00 1.00 H new ATOM 0 HB2 PRO A 22 -22.747 4.984 12.187 1.00 1.00 H new ATOM 0 HB3 PRO A 22 -21.289 5.319 11.275 1.00 1.00 H new ATOM 0 HG2 PRO A 22 -23.871 4.243 10.315 1.00 1.00 H new ATOM 0 HG3 PRO A 22 -22.574 4.974 9.390 1.00 1.00 H new ATOM 0 HD2 PRO A 22 -23.180 2.178 9.584 1.00 1.00 H new ATOM 0 HD3 PRO A 22 -21.816 2.901 8.753 1.00 1.00 H new ATOM 335 N GLY A 23 -22.747 1.435 12.828 1.00 1.00 N ATOM 336 CA GLY A 23 -23.518 0.715 13.827 1.00 1.00 C ATOM 337 C GLY A 23 -22.779 -0.541 14.291 1.00 1.00 C ATOM 338 O GLY A 23 -23.347 -1.377 14.993 1.00 1.00 O ATOM 0 H GLY A 23 -22.636 0.944 11.941 1.00 1.00 H new ATOM 0 HA2 GLY A 23 -23.710 1.365 14.681 1.00 1.00 H new ATOM 0 HA3 GLY A 23 -24.488 0.438 13.413 1.00 1.00 H new ATOM 342 N ILE A 24 -21.522 -0.636 13.881 1.00 1.00 N ATOM 343 CA ILE A 24 -20.699 -1.775 14.246 1.00 1.00 C ATOM 344 C ILE A 24 -20.415 -1.733 15.748 1.00 1.00 C ATOM 345 O ILE A 24 -20.737 -0.753 16.418 1.00 1.00 O ATOM 346 CB ILE A 24 -19.437 -1.824 13.382 1.00 1.00 C ATOM 347 CG1 ILE A 24 -18.879 -3.246 13.304 1.00 1.00 C ATOM 348 CG2 ILE A 24 -18.392 -0.824 13.883 1.00 1.00 C ATOM 349 CD1 ILE A 24 -18.097 -3.459 12.007 1.00 1.00 C ATOM 0 H ILE A 24 -21.054 0.059 13.299 1.00 1.00 H new ATOM 0 HA ILE A 24 -21.229 -2.707 14.047 1.00 1.00 H new ATOM 0 HB ILE A 24 -19.706 -1.529 12.368 1.00 1.00 H new ATOM 0 HG12 ILE A 24 -18.229 -3.433 14.159 1.00 1.00 H new ATOM 0 HG13 ILE A 24 -19.696 -3.965 13.362 1.00 1.00 H new ATOM 0 HG21 ILE A 24 -17.505 -0.878 13.252 1.00 1.00 H new ATOM 0 HG22 ILE A 24 -18.805 0.184 13.843 1.00 1.00 H new ATOM 0 HG23 ILE A 24 -18.122 -1.065 14.911 1.00 1.00 H new ATOM 0 HD11 ILE A 24 -17.712 -4.478 11.978 1.00 1.00 H new ATOM 0 HD12 ILE A 24 -18.756 -3.296 11.154 1.00 1.00 H new ATOM 0 HD13 ILE A 24 -17.266 -2.755 11.964 1.00 1.00 H new ATOM 361 N THR A 25 -19.815 -2.810 16.235 1.00 1.00 N ATOM 362 CA THR A 25 -19.483 -2.908 17.646 1.00 1.00 C ATOM 363 C THR A 25 -18.014 -3.296 17.823 1.00 1.00 C ATOM 364 O THR A 25 -17.667 -4.022 18.753 1.00 1.00 O ATOM 365 CB THR A 25 -20.454 -3.899 18.291 1.00 1.00 C ATOM 366 OG1 THR A 25 -19.988 -5.175 17.859 1.00 1.00 O ATOM 367 CG2 THR A 25 -21.865 -3.800 17.709 1.00 1.00 C ATOM 0 H THR A 25 -19.550 -3.622 15.677 1.00 1.00 H new ATOM 0 HA THR A 25 -19.595 -1.946 18.146 1.00 1.00 H new ATOM 0 HB THR A 25 -20.492 -3.721 19.366 1.00 1.00 H new ATOM 0 HG1 THR A 25 -20.561 -5.876 18.234 1.00 1.00 H new ATOM 0 HG21 THR A 25 -22.513 -4.525 18.202 1.00 1.00 H new ATOM 0 HG22 THR A 25 -22.255 -2.795 17.870 1.00 1.00 H new ATOM 0 HG23 THR A 25 -21.833 -4.010 16.640 1.00 1.00 H new ATOM 375 N SER A 26 -17.189 -2.792 16.916 1.00 1.00 N ATOM 376 CA SER A 26 -15.764 -3.075 16.960 1.00 1.00 C ATOM 377 C SER A 26 -15.520 -4.565 16.712 1.00 1.00 C ATOM 378 O SER A 26 -15.009 -4.947 15.659 1.00 1.00 O ATOM 379 CB SER A 26 -15.161 -2.655 18.302 1.00 1.00 C ATOM 380 OG SER A 26 -15.427 -3.605 19.329 1.00 1.00 O ATOM 0 H SER A 26 -17.480 -2.189 16.146 1.00 1.00 H new ATOM 0 HA SER A 26 -15.275 -2.497 16.176 1.00 1.00 H new ATOM 0 HB2 SER A 26 -14.083 -2.532 18.192 1.00 1.00 H new ATOM 0 HB3 SER A 26 -15.564 -1.685 18.593 1.00 1.00 H new ATOM 0 HG SER A 26 -16.377 -3.571 19.568 1.00 1.00 H new ATOM 386 N ASP A 27 -15.895 -5.366 17.698 1.00 1.00 N ATOM 387 CA ASP A 27 -15.722 -6.806 17.599 1.00 1.00 C ATOM 388 C ASP A 27 -16.056 -7.259 16.177 1.00 1.00 C ATOM 389 O ASP A 27 -15.170 -7.671 15.429 1.00 1.00 O ATOM 390 CB ASP A 27 -16.658 -7.540 18.561 1.00 1.00 C ATOM 391 CG ASP A 27 -16.342 -7.344 20.046 1.00 1.00 C ATOM 392 OD1 ASP A 27 -15.482 -8.100 20.547 1.00 1.00 O ATOM 393 OD2 ASP A 27 -16.968 -6.443 20.645 1.00 1.00 O ATOM 0 H ASP A 27 -16.318 -5.046 18.569 1.00 1.00 H new ATOM 0 HA ASP A 27 -14.688 -7.040 17.853 1.00 1.00 H new ATOM 0 HB2 ASP A 27 -17.679 -7.207 18.375 1.00 1.00 H new ATOM 0 HB3 ASP A 27 -16.624 -8.606 18.335 1.00 1.00 H new ATOM 398 N GLN A 28 -17.335 -7.167 15.846 1.00 1.00 N ATOM 399 CA GLN A 28 -17.798 -7.562 14.525 1.00 1.00 C ATOM 400 C GLN A 28 -16.868 -7.001 13.448 1.00 1.00 C ATOM 401 O GLN A 28 -16.778 -7.554 12.353 1.00 1.00 O ATOM 402 CB GLN A 28 -19.241 -7.113 14.292 1.00 1.00 C ATOM 403 CG GLN A 28 -20.198 -7.824 15.251 1.00 1.00 C ATOM 404 CD GLN A 28 -21.291 -8.569 14.482 1.00 1.00 C ATOM 405 OE1 GLN A 28 -21.353 -9.787 14.465 1.00 1.00 O ATOM 406 NE2 GLN A 28 -22.147 -7.772 13.848 1.00 1.00 N ATOM 0 H GLN A 28 -18.066 -6.825 16.469 1.00 1.00 H new ATOM 0 HA GLN A 28 -17.778 -8.650 14.465 1.00 1.00 H new ATOM 0 HB2 GLN A 28 -19.317 -6.034 14.430 1.00 1.00 H new ATOM 0 HB3 GLN A 28 -19.529 -7.324 13.262 1.00 1.00 H new ATOM 0 HG2 GLN A 28 -19.642 -8.526 15.871 1.00 1.00 H new ATOM 0 HG3 GLN A 28 -20.653 -7.096 15.923 1.00 1.00 H new ATOM 0 HE21 GLN A 28 -22.038 -6.759 13.904 1.00 1.00 H new ATOM 0 HE22 GLN A 28 -22.912 -8.174 13.306 1.00 1.00 H new ATOM 415 N CYS A 29 -16.200 -5.912 13.796 1.00 1.00 N ATOM 416 CA CYS A 29 -15.280 -5.270 12.873 1.00 1.00 C ATOM 417 C CYS A 29 -13.925 -5.970 12.980 1.00 1.00 C ATOM 418 O CYS A 29 -13.296 -6.274 11.966 1.00 1.00 O ATOM 419 CB CYS A 29 -15.169 -3.766 13.137 1.00 1.00 C ATOM 420 SG CYS A 29 -14.813 -2.751 11.656 1.00 1.00 S ATOM 0 H CYS A 29 -16.277 -5.457 14.706 1.00 1.00 H new ATOM 0 HA CYS A 29 -15.658 -5.366 11.855 1.00 1.00 H new ATOM 0 HB2 CYS A 29 -16.102 -3.420 13.582 1.00 1.00 H new ATOM 0 HB3 CYS A 29 -14.383 -3.598 13.873 1.00 1.00 H new ATOM 425 N PHE A 30 -13.512 -6.206 14.217 1.00 1.00 N ATOM 426 CA PHE A 30 -12.243 -6.865 14.470 1.00 1.00 C ATOM 427 C PHE A 30 -12.295 -8.335 14.050 1.00 1.00 C ATOM 428 O PHE A 30 -11.273 -9.020 14.047 1.00 1.00 O ATOM 429 CB PHE A 30 -11.991 -6.786 15.977 1.00 1.00 C ATOM 430 CG PHE A 30 -11.217 -5.539 16.414 1.00 1.00 C ATOM 431 CD1 PHE A 30 -11.668 -4.305 16.069 1.00 1.00 C ATOM 432 CD2 PHE A 30 -10.081 -5.668 17.149 1.00 1.00 C ATOM 433 CE1 PHE A 30 -10.952 -3.148 16.475 1.00 1.00 C ATOM 434 CE2 PHE A 30 -9.363 -4.512 17.555 1.00 1.00 C ATOM 435 CZ PHE A 30 -9.814 -3.276 17.209 1.00 1.00 C ATOM 0 H PHE A 30 -14.035 -5.952 15.055 1.00 1.00 H new ATOM 0 HA PHE A 30 -11.451 -6.380 13.899 1.00 1.00 H new ATOM 0 HB2 PHE A 30 -12.949 -6.807 16.497 1.00 1.00 H new ATOM 0 HB3 PHE A 30 -11.439 -7.672 16.290 1.00 1.00 H new ATOM 0 HD1 PHE A 30 -12.571 -4.204 15.486 1.00 1.00 H new ATOM 0 HD2 PHE A 30 -9.724 -6.650 17.424 1.00 1.00 H new ATOM 0 HE1 PHE A 30 -11.311 -2.167 16.201 1.00 1.00 H new ATOM 0 HE2 PHE A 30 -8.460 -4.614 18.138 1.00 1.00 H new ATOM 0 HZ PHE A 30 -9.268 -2.396 17.517 1.00 1.00 H new ATOM 445 N THR A 31 -13.495 -8.777 13.705 1.00 1.00 N ATOM 446 CA THR A 31 -13.693 -10.153 13.285 1.00 1.00 C ATOM 447 C THR A 31 -13.885 -10.225 11.768 1.00 1.00 C ATOM 448 O THR A 31 -13.890 -11.311 11.190 1.00 1.00 O ATOM 449 CB THR A 31 -14.873 -10.724 14.073 1.00 1.00 C ATOM 450 OG1 THR A 31 -14.819 -10.041 15.323 1.00 1.00 O ATOM 451 CG2 THR A 31 -14.674 -12.195 14.444 1.00 1.00 C ATOM 0 H THR A 31 -14.340 -8.206 13.708 1.00 1.00 H new ATOM 0 HA THR A 31 -12.815 -10.762 13.500 1.00 1.00 H new ATOM 0 HB THR A 31 -15.785 -10.618 13.486 1.00 1.00 H new ATOM 0 HG1 THR A 31 -15.254 -9.167 15.237 1.00 1.00 H new ATOM 0 HG21 THR A 31 -15.540 -12.550 15.002 1.00 1.00 H new ATOM 0 HG22 THR A 31 -14.560 -12.787 13.536 1.00 1.00 H new ATOM 0 HG23 THR A 31 -13.780 -12.297 15.059 1.00 1.00 H new ATOM 459 N SER A 32 -14.037 -9.055 11.168 1.00 1.00 N ATOM 460 CA SER A 32 -14.229 -8.971 9.730 1.00 1.00 C ATOM 461 C SER A 32 -12.907 -8.617 9.045 1.00 1.00 C ATOM 462 O SER A 32 -12.893 -8.217 7.883 1.00 1.00 O ATOM 463 CB SER A 32 -15.302 -7.939 9.375 1.00 1.00 C ATOM 464 OG SER A 32 -15.204 -7.511 8.020 1.00 1.00 O ATOM 0 H SER A 32 -14.031 -8.157 11.651 1.00 1.00 H new ATOM 0 HA SER A 32 -14.567 -9.944 9.374 1.00 1.00 H new ATOM 0 HB2 SER A 32 -16.289 -8.368 9.549 1.00 1.00 H new ATOM 0 HB3 SER A 32 -15.208 -7.077 10.035 1.00 1.00 H new ATOM 0 HG SER A 32 -14.509 -8.029 7.563 1.00 1.00 H new ATOM 470 N GLY A 33 -11.827 -8.779 9.797 1.00 1.00 N ATOM 471 CA GLY A 33 -10.504 -8.482 9.277 1.00 1.00 C ATOM 472 C GLY A 33 -10.282 -6.972 9.170 1.00 1.00 C ATOM 473 O GLY A 33 -9.271 -6.526 8.631 1.00 1.00 O ATOM 0 H GLY A 33 -11.842 -9.112 10.761 1.00 1.00 H new ATOM 0 HA2 GLY A 33 -9.747 -8.919 9.928 1.00 1.00 H new ATOM 0 HA3 GLY A 33 -10.384 -8.941 8.296 1.00 1.00 H new ATOM 477 N CYS A 34 -11.246 -6.227 9.691 1.00 1.00 N ATOM 478 CA CYS A 34 -11.169 -4.776 9.660 1.00 1.00 C ATOM 479 C CYS A 34 -10.997 -4.273 11.094 1.00 1.00 C ATOM 480 O CYS A 34 -11.312 -4.985 12.047 1.00 1.00 O ATOM 481 CB CYS A 34 -12.395 -4.159 8.983 1.00 1.00 C ATOM 482 SG CYS A 34 -12.783 -4.841 7.329 1.00 1.00 S ATOM 0 H CYS A 34 -12.084 -6.601 10.137 1.00 1.00 H new ATOM 0 HA CYS A 34 -10.311 -4.468 9.062 1.00 1.00 H new ATOM 0 HB2 CYS A 34 -13.260 -4.300 9.631 1.00 1.00 H new ATOM 0 HB3 CYS A 34 -12.239 -3.084 8.890 1.00 1.00 H new ATOM 487 N CYS A 35 -10.496 -3.051 11.203 1.00 1.00 N ATOM 488 CA CYS A 35 -10.278 -2.445 12.505 1.00 1.00 C ATOM 489 C CYS A 35 -11.462 -1.527 12.813 1.00 1.00 C ATOM 490 O CYS A 35 -12.342 -1.341 11.974 1.00 1.00 O ATOM 491 CB CYS A 35 -8.944 -1.697 12.564 1.00 1.00 C ATOM 492 SG CYS A 35 -7.528 -2.694 13.156 1.00 1.00 S ATOM 0 H CYS A 35 -10.235 -2.464 10.410 1.00 1.00 H new ATOM 0 HA CYS A 35 -10.217 -3.223 13.266 1.00 1.00 H new ATOM 0 HB2 CYS A 35 -8.712 -1.318 11.569 1.00 1.00 H new ATOM 0 HB3 CYS A 35 -9.058 -0.831 13.216 1.00 1.00 H new ATOM 497 N PHE A 36 -11.445 -0.978 14.019 1.00 1.00 N ATOM 498 CA PHE A 36 -12.508 -0.083 14.448 1.00 1.00 C ATOM 499 C PHE A 36 -11.988 0.938 15.461 1.00 1.00 C ATOM 500 O PHE A 36 -12.126 0.745 16.668 1.00 1.00 O ATOM 501 CB PHE A 36 -13.578 -0.949 15.115 1.00 1.00 C ATOM 502 CG PHE A 36 -14.519 -0.172 16.039 1.00 1.00 C ATOM 503 CD1 PHE A 36 -15.587 0.491 15.520 1.00 1.00 C ATOM 504 CD2 PHE A 36 -14.286 -0.144 17.378 1.00 1.00 C ATOM 505 CE1 PHE A 36 -16.459 1.212 16.378 1.00 1.00 C ATOM 506 CE2 PHE A 36 -15.158 0.577 18.236 1.00 1.00 C ATOM 507 CZ PHE A 36 -16.227 1.239 17.718 1.00 1.00 C ATOM 0 H PHE A 36 -10.713 -1.135 14.712 1.00 1.00 H new ATOM 0 HA PHE A 36 -12.904 0.464 13.592 1.00 1.00 H new ATOM 0 HB2 PHE A 36 -14.168 -1.440 14.341 1.00 1.00 H new ATOM 0 HB3 PHE A 36 -13.089 -1.735 15.689 1.00 1.00 H new ATOM 0 HD1 PHE A 36 -15.772 0.469 14.456 1.00 1.00 H new ATOM 0 HD2 PHE A 36 -13.437 -0.670 17.789 1.00 1.00 H new ATOM 0 HE1 PHE A 36 -17.307 1.739 15.966 1.00 1.00 H new ATOM 0 HE2 PHE A 36 -14.972 0.600 19.300 1.00 1.00 H new ATOM 0 HZ PHE A 36 -16.892 1.786 18.370 1.00 1.00 H new ATOM 517 N ASP A 37 -11.403 2.003 14.934 1.00 1.00 N ATOM 518 CA ASP A 37 -10.863 3.055 15.777 1.00 1.00 C ATOM 519 C ASP A 37 -11.834 4.237 15.797 1.00 1.00 C ATOM 520 O ASP A 37 -11.738 5.138 14.966 1.00 1.00 O ATOM 521 CB ASP A 37 -9.520 3.555 15.241 1.00 1.00 C ATOM 522 CG ASP A 37 -9.003 4.841 15.891 1.00 1.00 C ATOM 523 OD1 ASP A 37 -8.391 4.723 16.974 1.00 1.00 O ATOM 524 OD2 ASP A 37 -9.232 5.913 15.289 1.00 1.00 O ATOM 0 H ASP A 37 -11.291 2.160 13.932 1.00 1.00 H new ATOM 0 HA ASP A 37 -10.723 2.646 16.778 1.00 1.00 H new ATOM 0 HB2 ASP A 37 -8.776 2.771 15.380 1.00 1.00 H new ATOM 0 HB3 ASP A 37 -9.613 3.720 14.168 1.00 1.00 H new ATOM 529 N SER A 38 -12.748 4.194 16.755 1.00 1.00 N ATOM 530 CA SER A 38 -13.736 5.250 16.894 1.00 1.00 C ATOM 531 C SER A 38 -13.104 6.474 17.560 1.00 1.00 C ATOM 532 O SER A 38 -13.698 7.552 17.577 1.00 1.00 O ATOM 533 CB SER A 38 -14.945 4.771 17.701 1.00 1.00 C ATOM 534 OG SER A 38 -14.618 3.676 18.551 1.00 1.00 O ATOM 0 H SER A 38 -12.825 3.444 17.442 1.00 1.00 H new ATOM 0 HA SER A 38 -14.084 5.525 15.899 1.00 1.00 H new ATOM 0 HB2 SER A 38 -15.329 5.595 18.302 1.00 1.00 H new ATOM 0 HB3 SER A 38 -15.742 4.475 17.019 1.00 1.00 H new ATOM 0 HG SER A 38 -14.865 2.836 18.111 1.00 1.00 H new ATOM 540 N GLN A 39 -11.908 6.268 18.091 1.00 1.00 N ATOM 541 CA GLN A 39 -11.189 7.341 18.756 1.00 1.00 C ATOM 542 C GLN A 39 -11.168 8.591 17.876 1.00 1.00 C ATOM 543 O GLN A 39 -10.921 9.693 18.362 1.00 1.00 O ATOM 544 CB GLN A 39 -9.769 6.904 19.124 1.00 1.00 C ATOM 545 CG GLN A 39 -9.771 6.039 20.386 1.00 1.00 C ATOM 546 CD GLN A 39 -8.577 6.375 21.281 1.00 1.00 C ATOM 547 OE1 GLN A 39 -7.768 7.238 20.984 1.00 1.00 O ATOM 548 NE2 GLN A 39 -8.514 5.647 22.393 1.00 1.00 N ATOM 0 H GLN A 39 -11.419 5.373 18.074 1.00 1.00 H new ATOM 0 HA GLN A 39 -11.711 7.582 19.682 1.00 1.00 H new ATOM 0 HB2 GLN A 39 -9.331 6.346 18.297 1.00 1.00 H new ATOM 0 HB3 GLN A 39 -9.144 7.783 19.282 1.00 1.00 H new ATOM 0 HG2 GLN A 39 -10.699 6.195 20.937 1.00 1.00 H new ATOM 0 HG3 GLN A 39 -9.738 4.985 20.109 1.00 1.00 H new ATOM 0 HE21 GLN A 39 -9.225 4.940 22.581 1.00 1.00 H new ATOM 0 HE22 GLN A 39 -7.755 5.796 23.058 1.00 1.00 H new ATOM 557 N VAL A 40 -11.430 8.378 16.594 1.00 1.00 N ATOM 558 CA VAL A 40 -11.444 9.474 15.641 1.00 1.00 C ATOM 559 C VAL A 40 -12.868 9.672 15.118 1.00 1.00 C ATOM 560 O VAL A 40 -13.257 9.065 14.122 1.00 1.00 O ATOM 561 CB VAL A 40 -10.429 9.211 14.525 1.00 1.00 C ATOM 562 CG1 VAL A 40 -10.408 10.365 13.520 1.00 1.00 C ATOM 563 CG2 VAL A 40 -9.034 8.959 15.101 1.00 1.00 C ATOM 0 H VAL A 40 -11.634 7.462 16.194 1.00 1.00 H new ATOM 0 HA VAL A 40 -11.143 10.403 16.124 1.00 1.00 H new ATOM 0 HB VAL A 40 -10.740 8.311 13.995 1.00 1.00 H new ATOM 0 HG11 VAL A 40 -9.679 10.153 12.738 1.00 1.00 H new ATOM 0 HG12 VAL A 40 -11.396 10.477 13.074 1.00 1.00 H new ATOM 0 HG13 VAL A 40 -10.134 11.288 14.031 1.00 1.00 H new ATOM 0 HG21 VAL A 40 -8.332 8.775 14.287 1.00 1.00 H new ATOM 0 HG22 VAL A 40 -8.711 9.832 15.668 1.00 1.00 H new ATOM 0 HG23 VAL A 40 -9.063 8.090 15.758 1.00 1.00 H new ATOM 573 N PRO A 41 -13.625 10.547 15.832 1.00 1.00 N ATOM 574 CA PRO A 41 -14.998 10.833 15.451 1.00 1.00 C ATOM 575 C PRO A 41 -15.048 11.741 14.219 1.00 1.00 C ATOM 576 O PRO A 41 -16.125 12.145 13.785 1.00 1.00 O ATOM 577 CB PRO A 41 -15.624 11.468 16.682 1.00 1.00 C ATOM 578 CG PRO A 41 -14.464 11.938 17.545 1.00 1.00 C ATOM 579 CD PRO A 41 -13.197 11.286 17.016 1.00 1.00 C ATOM 0 HA PRO A 41 -15.548 9.939 15.157 1.00 1.00 H new ATOM 0 HB2 PRO A 41 -16.268 12.303 16.406 1.00 1.00 H new ATOM 0 HB3 PRO A 41 -16.244 10.750 17.219 1.00 1.00 H new ATOM 0 HG2 PRO A 41 -14.378 13.024 17.510 1.00 1.00 H new ATOM 0 HG3 PRO A 41 -14.628 11.664 18.587 1.00 1.00 H new ATOM 0 HD2 PRO A 41 -12.443 12.032 16.766 1.00 1.00 H new ATOM 0 HD3 PRO A 41 -12.754 10.622 17.758 1.00 1.00 H new ATOM 587 N GLY A 42 -13.868 12.034 13.693 1.00 1.00 N ATOM 588 CA GLY A 42 -13.764 12.886 12.520 1.00 1.00 C ATOM 589 C GLY A 42 -13.415 12.067 11.276 1.00 1.00 C ATOM 590 O GLY A 42 -13.229 12.623 10.194 1.00 1.00 O ATOM 0 H GLY A 42 -12.977 11.697 14.057 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -14.707 13.410 12.362 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -13.001 13.646 12.685 1.00 1.00 H new ATOM 594 N VAL A 43 -13.339 10.759 11.471 1.00 1.00 N ATOM 595 CA VAL A 43 -13.016 9.857 10.379 1.00 1.00 C ATOM 596 C VAL A 43 -13.759 8.534 10.578 1.00 1.00 C ATOM 597 O VAL A 43 -14.543 8.394 11.515 1.00 1.00 O ATOM 598 CB VAL A 43 -11.500 9.681 10.275 1.00 1.00 C ATOM 599 CG1 VAL A 43 -10.773 10.991 10.587 1.00 1.00 C ATOM 600 CG2 VAL A 43 -11.015 8.554 11.189 1.00 1.00 C ATOM 0 H VAL A 43 -13.496 10.302 12.369 1.00 1.00 H new ATOM 0 HA VAL A 43 -13.347 10.276 9.429 1.00 1.00 H new ATOM 0 HB VAL A 43 -11.265 9.404 9.247 1.00 1.00 H new ATOM 0 HG11 VAL A 43 -9.697 10.838 10.506 1.00 1.00 H new ATOM 0 HG12 VAL A 43 -11.085 11.758 9.878 1.00 1.00 H new ATOM 0 HG13 VAL A 43 -11.019 11.311 11.600 1.00 1.00 H new ATOM 0 HG21 VAL A 43 -9.934 8.450 11.096 1.00 1.00 H new ATOM 0 HG22 VAL A 43 -11.269 8.789 12.223 1.00 1.00 H new ATOM 0 HG23 VAL A 43 -11.496 7.619 10.901 1.00 1.00 H new ATOM 610 N PRO A 44 -13.478 7.572 9.658 1.00 1.00 N ATOM 611 CA PRO A 44 -14.111 6.267 9.724 1.00 1.00 C ATOM 612 C PRO A 44 -13.505 5.419 10.845 1.00 1.00 C ATOM 613 O PRO A 44 -12.304 5.153 10.847 1.00 1.00 O ATOM 614 CB PRO A 44 -13.908 5.661 8.345 1.00 1.00 C ATOM 615 CG PRO A 44 -12.773 6.447 7.707 1.00 1.00 C ATOM 616 CD PRO A 44 -12.555 7.704 8.535 1.00 1.00 C ATOM 0 HA PRO A 44 -15.172 6.326 9.966 1.00 1.00 H new ATOM 0 HB2 PRO A 44 -13.658 4.602 8.417 1.00 1.00 H new ATOM 0 HB3 PRO A 44 -14.817 5.734 7.748 1.00 1.00 H new ATOM 0 HG2 PRO A 44 -11.863 5.847 7.676 1.00 1.00 H new ATOM 0 HG3 PRO A 44 -13.019 6.706 6.677 1.00 1.00 H new ATOM 0 HD2 PRO A 44 -11.523 7.779 8.877 1.00 1.00 H new ATOM 0 HD3 PRO A 44 -12.764 8.602 7.954 1.00 1.00 H new ATOM 624 N TRP A 45 -14.364 5.020 11.771 1.00 1.00 N ATOM 625 CA TRP A 45 -13.928 4.209 12.895 1.00 1.00 C ATOM 626 C TRP A 45 -13.515 2.838 12.356 1.00 1.00 C ATOM 627 O TRP A 45 -12.409 2.369 12.624 1.00 1.00 O ATOM 628 CB TRP A 45 -15.017 4.126 13.967 1.00 1.00 C ATOM 629 CG TRP A 45 -15.722 5.456 14.241 1.00 1.00 C ATOM 630 CD1 TRP A 45 -15.394 6.673 13.786 1.00 1.00 C ATOM 631 CD2 TRP A 45 -16.895 5.655 15.058 1.00 1.00 C ATOM 632 NE1 TRP A 45 -16.266 7.639 14.247 1.00 1.00 N ATOM 633 CE2 TRP A 45 -17.209 6.999 15.044 1.00 1.00 C ATOM 634 CE3 TRP A 45 -17.667 4.730 15.782 1.00 1.00 C ATOM 635 CZ2 TRP A 45 -18.298 7.539 15.739 1.00 1.00 C ATOM 636 CZ3 TRP A 45 -18.752 5.286 16.471 1.00 1.00 C ATOM 637 CH2 TRP A 45 -19.080 6.636 16.468 1.00 1.00 C ATOM 0 H TRP A 45 -15.359 5.243 11.766 1.00 1.00 H new ATOM 0 HA TRP A 45 -13.069 4.663 13.388 1.00 1.00 H new ATOM 0 HB2 TRP A 45 -15.759 3.389 13.660 1.00 1.00 H new ATOM 0 HB3 TRP A 45 -14.573 3.764 14.894 1.00 1.00 H new ATOM 0 HD1 TRP A 45 -14.552 6.873 13.139 1.00 1.00 H new ATOM 0 HE1 TRP A 45 -16.226 8.637 14.041 1.00 1.00 H new ATOM 0 HE3 TRP A 45 -17.441 3.674 15.805 1.00 1.00 H new ATOM 0 HZ2 TRP A 45 -18.522 8.595 15.714 1.00 1.00 H new ATOM 0 HZ3 TRP A 45 -19.378 4.619 17.045 1.00 1.00 H new ATOM 0 HH2 TRP A 45 -19.935 6.987 17.026 1.00 1.00 H new ATOM 648 N CYS A 46 -14.425 2.233 11.606 1.00 1.00 N ATOM 649 CA CYS A 46 -14.168 0.925 11.028 1.00 1.00 C ATOM 650 C CYS A 46 -13.511 1.124 9.662 1.00 1.00 C ATOM 651 O CYS A 46 -14.140 1.633 8.735 1.00 1.00 O ATOM 652 CB CYS A 46 -15.447 0.089 10.931 1.00 1.00 C ATOM 653 SG CYS A 46 -15.774 -0.986 12.374 1.00 1.00 S ATOM 0 H CYS A 46 -15.341 2.625 11.386 1.00 1.00 H new ATOM 0 HA CYS A 46 -13.494 0.364 11.675 1.00 1.00 H new ATOM 0 HB2 CYS A 46 -16.294 0.762 10.798 1.00 1.00 H new ATOM 0 HB3 CYS A 46 -15.390 -0.533 10.038 1.00 1.00 H new ATOM 658 N PHE A 47 -12.254 0.714 9.579 1.00 1.00 N ATOM 659 CA PHE A 47 -11.505 0.842 8.341 1.00 1.00 C ATOM 660 C PHE A 47 -10.609 -0.378 8.114 1.00 1.00 C ATOM 661 O PHE A 47 -10.717 -1.374 8.828 1.00 1.00 O ATOM 662 CB PHE A 47 -10.626 2.087 8.476 1.00 1.00 C ATOM 663 CG PHE A 47 -9.957 2.232 9.845 1.00 1.00 C ATOM 664 CD1 PHE A 47 -9.283 1.182 10.386 1.00 1.00 C ATOM 665 CD2 PHE A 47 -10.038 3.408 10.520 1.00 1.00 C ATOM 666 CE1 PHE A 47 -8.662 1.315 11.656 1.00 1.00 C ATOM 667 CE2 PHE A 47 -9.418 3.543 11.790 1.00 1.00 C ATOM 668 CZ PHE A 47 -8.743 2.494 12.332 1.00 1.00 C ATOM 0 H PHE A 47 -11.735 0.293 10.350 1.00 1.00 H new ATOM 0 HA PHE A 47 -12.191 0.918 7.497 1.00 1.00 H new ATOM 0 HB2 PHE A 47 -9.854 2.059 7.707 1.00 1.00 H new ATOM 0 HB3 PHE A 47 -11.234 2.971 8.285 1.00 1.00 H new ATOM 0 HD1 PHE A 47 -9.220 0.247 9.850 1.00 1.00 H new ATOM 0 HD2 PHE A 47 -10.574 4.241 10.090 1.00 1.00 H new ATOM 0 HE1 PHE A 47 -8.126 0.482 12.085 1.00 1.00 H new ATOM 0 HE2 PHE A 47 -9.482 4.479 12.326 1.00 1.00 H new ATOM 0 HZ PHE A 47 -8.271 2.596 13.298 1.00 1.00 H new ATOM 678 N LYS A 48 -9.745 -0.260 7.117 1.00 1.00 N ATOM 679 CA LYS A 48 -8.831 -1.340 6.787 1.00 1.00 C ATOM 680 C LYS A 48 -7.457 -1.043 7.391 1.00 1.00 C ATOM 681 O LYS A 48 -6.895 0.029 7.165 1.00 1.00 O ATOM 682 CB LYS A 48 -8.800 -1.574 5.276 1.00 1.00 C ATOM 683 CG LYS A 48 -9.592 -0.493 4.538 1.00 1.00 C ATOM 684 CD LYS A 48 -8.825 0.831 4.517 1.00 1.00 C ATOM 685 CE LYS A 48 -8.174 1.066 3.154 1.00 1.00 C ATOM 686 NZ LYS A 48 -9.167 0.899 2.068 1.00 1.00 N ATOM 0 H LYS A 48 -9.658 0.567 6.527 1.00 1.00 H new ATOM 0 HA LYS A 48 -9.176 -2.277 7.224 1.00 1.00 H new ATOM 0 HB2 LYS A 48 -7.768 -1.577 4.926 1.00 1.00 H new ATOM 0 HB3 LYS A 48 -9.217 -2.555 5.048 1.00 1.00 H new ATOM 0 HG2 LYS A 48 -9.793 -0.817 3.517 1.00 1.00 H new ATOM 0 HG3 LYS A 48 -10.558 -0.350 5.023 1.00 1.00 H new ATOM 0 HD2 LYS A 48 -9.504 1.652 4.746 1.00 1.00 H new ATOM 0 HD3 LYS A 48 -8.060 0.824 5.293 1.00 1.00 H new ATOM 0 HE2 LYS A 48 -7.750 2.069 3.115 1.00 1.00 H new ATOM 0 HE3 LYS A 48 -7.351 0.366 3.012 1.00 1.00 H new ATOM 0 HZ1 LYS A 48 -8.887 0.103 1.461 1.00 1.00 H new ATOM 0 HZ2 LYS A 48 -10.103 0.708 2.480 1.00 1.00 H new ATOM 0 HZ3 LYS A 48 -9.210 1.769 1.500 1.00 1.00 H new ATOM 700 N PRO A 49 -6.941 -2.034 8.166 1.00 1.00 N ATOM 701 CA PRO A 49 -5.644 -1.889 8.804 1.00 1.00 C ATOM 702 C PRO A 49 -4.512 -2.049 7.786 1.00 1.00 C ATOM 703 O PRO A 49 -4.759 -2.119 6.584 1.00 1.00 O ATOM 704 CB PRO A 49 -5.619 -2.949 9.891 1.00 1.00 C ATOM 705 CG PRO A 49 -6.704 -3.950 9.524 1.00 1.00 C ATOM 706 CD PRO A 49 -7.579 -3.316 8.456 1.00 1.00 C ATOM 0 HA PRO A 49 -5.494 -0.897 9.231 1.00 1.00 H new ATOM 0 HB2 PRO A 49 -4.643 -3.432 9.943 1.00 1.00 H new ATOM 0 HB3 PRO A 49 -5.809 -2.509 10.870 1.00 1.00 H new ATOM 0 HG2 PRO A 49 -6.261 -4.875 9.155 1.00 1.00 H new ATOM 0 HG3 PRO A 49 -7.298 -4.208 10.401 1.00 1.00 H new ATOM 0 HD2 PRO A 49 -7.633 -3.942 7.565 1.00 1.00 H new ATOM 0 HD3 PRO A 49 -8.600 -3.179 8.811 1.00 1.00 H new ATOM 714 N LEU A 50 -3.295 -2.103 8.307 1.00 1.00 N ATOM 715 CA LEU A 50 -2.124 -2.253 7.459 1.00 1.00 C ATOM 716 C LEU A 50 -1.257 -3.395 7.994 1.00 1.00 C ATOM 717 O LEU A 50 -0.096 -3.186 8.341 1.00 1.00 O ATOM 718 CB LEU A 50 -1.380 -0.923 7.332 1.00 1.00 C ATOM 719 CG LEU A 50 -2.188 0.332 7.667 1.00 1.00 C ATOM 720 CD1 LEU A 50 -2.039 0.701 9.145 1.00 1.00 C ATOM 721 CD2 LEU A 50 -1.807 1.493 6.746 1.00 1.00 C ATOM 0 H LEU A 50 -3.094 -2.046 9.305 1.00 1.00 H new ATOM 0 HA LEU A 50 -2.419 -2.523 6.445 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -0.507 -0.954 7.984 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -1.011 -0.832 6.310 1.00 1.00 H new ATOM 0 HG LEU A 50 -3.242 0.116 7.493 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -2.623 1.597 9.357 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -2.398 -0.122 9.763 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -0.989 0.891 9.368 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -2.396 2.372 7.006 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -0.747 1.719 6.864 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -2.006 1.216 5.711 1.00 1.00 H new ATOM 733 N PRO A 51 -1.870 -4.608 8.044 1.00 1.00 N ATOM 734 CA PRO A 51 -1.166 -5.782 8.530 1.00 1.00 C ATOM 735 C PRO A 51 -0.165 -6.292 7.490 1.00 1.00 C ATOM 736 O PRO A 51 -0.336 -6.060 6.295 1.00 1.00 O ATOM 737 CB PRO A 51 -2.257 -6.791 8.849 1.00 1.00 C ATOM 738 CG PRO A 51 -3.492 -6.321 8.097 1.00 1.00 C ATOM 739 CD PRO A 51 -3.244 -4.892 7.641 1.00 1.00 C ATOM 0 HA PRO A 51 -0.563 -5.574 9.414 1.00 1.00 H new ATOM 0 HB2 PRO A 51 -1.966 -7.793 8.535 1.00 1.00 H new ATOM 0 HB3 PRO A 51 -2.446 -6.836 9.922 1.00 1.00 H new ATOM 0 HG2 PRO A 51 -3.686 -6.967 7.241 1.00 1.00 H new ATOM 0 HG3 PRO A 51 -4.372 -6.370 8.739 1.00 1.00 H new ATOM 0 HD2 PRO A 51 -3.369 -4.793 6.563 1.00 1.00 H new ATOM 0 HD3 PRO A 51 -3.945 -4.200 8.108 1.00 1.00 H new ATOM 747 N ALA A 52 0.856 -6.976 7.984 1.00 1.00 N ATOM 748 CA ALA A 52 1.882 -7.520 7.112 1.00 1.00 C ATOM 749 C ALA A 52 2.411 -8.827 7.708 1.00 1.00 C ATOM 750 O ALA A 52 1.889 -9.312 8.710 1.00 1.00 O ATOM 751 CB ALA A 52 2.988 -6.481 6.914 1.00 1.00 C ATOM 0 H ALA A 52 0.995 -7.166 8.977 1.00 1.00 H new ATOM 0 HA ALA A 52 1.469 -7.748 6.129 1.00 1.00 H new ATOM 0 HB1 ALA A 52 3.758 -6.889 6.260 1.00 1.00 H new ATOM 0 HB2 ALA A 52 2.567 -5.583 6.462 1.00 1.00 H new ATOM 0 HB3 ALA A 52 3.428 -6.230 7.879 1.00 1.00 H new ATOM 757 N GLN A 53 3.442 -9.358 7.066 1.00 1.00 N ATOM 758 CA GLN A 53 4.047 -10.599 7.521 1.00 1.00 C ATOM 759 C GLN A 53 4.064 -10.652 9.050 1.00 1.00 C ATOM 760 O GLN A 53 3.991 -9.618 9.711 1.00 1.00 O ATOM 761 CB GLN A 53 5.457 -10.762 6.950 1.00 1.00 C ATOM 762 CG GLN A 53 5.408 -11.203 5.486 1.00 1.00 C ATOM 763 CD GLN A 53 6.433 -12.306 5.210 1.00 1.00 C ATOM 764 OE1 GLN A 53 6.097 -13.435 4.896 1.00 1.00 O ATOM 765 NE2 GLN A 53 7.696 -11.916 5.346 1.00 1.00 N ATOM 0 H GLN A 53 3.873 -8.952 6.236 1.00 1.00 H new ATOM 0 HA GLN A 53 3.444 -11.430 7.156 1.00 1.00 H new ATOM 0 HB2 GLN A 53 5.997 -9.819 7.032 1.00 1.00 H new ATOM 0 HB3 GLN A 53 6.008 -11.497 7.537 1.00 1.00 H new ATOM 0 HG2 GLN A 53 4.408 -11.563 5.244 1.00 1.00 H new ATOM 0 HG3 GLN A 53 5.605 -10.349 4.838 1.00 1.00 H new ATOM 0 HE21 GLN A 53 7.907 -10.954 5.612 1.00 1.00 H new ATOM 0 HE22 GLN A 53 8.455 -12.579 5.185 1.00 1.00 H new ATOM 774 N GLU A 54 4.164 -11.869 9.566 1.00 1.00 N ATOM 775 CA GLU A 54 4.192 -12.070 11.006 1.00 1.00 C ATOM 776 C GLU A 54 5.451 -11.440 11.604 1.00 1.00 C ATOM 777 O GLU A 54 6.262 -12.131 12.221 1.00 1.00 O ATOM 778 CB GLU A 54 4.105 -13.558 11.352 1.00 1.00 C ATOM 779 CG GLU A 54 2.934 -14.222 10.626 1.00 1.00 C ATOM 780 CD GLU A 54 3.427 -15.313 9.673 1.00 1.00 C ATOM 781 OE1 GLU A 54 3.922 -16.338 10.191 1.00 1.00 O ATOM 782 OE2 GLU A 54 3.299 -15.098 8.448 1.00 1.00 O ATOM 0 H GLU A 54 4.227 -12.724 9.014 1.00 1.00 H new ATOM 0 HA GLU A 54 3.322 -11.578 11.441 1.00 1.00 H new ATOM 0 HB2 GLU A 54 5.036 -14.054 11.077 1.00 1.00 H new ATOM 0 HB3 GLU A 54 3.985 -13.678 12.429 1.00 1.00 H new ATOM 0 HG2 GLU A 54 2.248 -14.654 11.354 1.00 1.00 H new ATOM 0 HG3 GLU A 54 2.375 -13.471 10.067 1.00 1.00 H new ATOM 789 N SER A 55 5.575 -10.136 11.403 1.00 1.00 N ATOM 790 CA SER A 55 6.722 -9.406 11.916 1.00 1.00 C ATOM 791 C SER A 55 6.253 -8.175 12.695 1.00 1.00 C ATOM 792 O SER A 55 6.559 -7.045 12.318 1.00 1.00 O ATOM 793 CB SER A 55 7.662 -8.990 10.783 1.00 1.00 C ATOM 794 OG SER A 55 8.043 -10.099 9.971 1.00 1.00 O ATOM 0 H SER A 55 4.900 -9.566 10.892 1.00 1.00 H new ATOM 0 HA SER A 55 7.274 -10.064 12.587 1.00 1.00 H new ATOM 0 HB2 SER A 55 7.173 -8.238 10.164 1.00 1.00 H new ATOM 0 HB3 SER A 55 8.554 -8.525 11.204 1.00 1.00 H new ATOM 0 HG SER A 55 8.642 -9.792 9.258 1.00 1.00 H new ATOM 800 N GLU A 56 5.517 -8.436 13.764 1.00 1.00 N ATOM 801 CA GLU A 56 5.002 -7.364 14.598 1.00 1.00 C ATOM 802 C GLU A 56 6.147 -6.475 15.086 1.00 1.00 C ATOM 803 O GLU A 56 6.830 -6.811 16.052 1.00 1.00 O ATOM 804 CB GLU A 56 4.201 -7.922 15.777 1.00 1.00 C ATOM 805 CG GLU A 56 2.824 -7.260 15.866 1.00 1.00 C ATOM 806 CD GLU A 56 2.268 -7.341 17.288 1.00 1.00 C ATOM 807 OE1 GLU A 56 2.726 -8.240 18.027 1.00 1.00 O ATOM 808 OE2 GLU A 56 1.397 -6.502 17.606 1.00 1.00 O ATOM 0 H GLU A 56 5.265 -9.375 14.072 1.00 1.00 H new ATOM 0 HA GLU A 56 4.326 -6.756 13.997 1.00 1.00 H new ATOM 0 HB2 GLU A 56 4.084 -9.000 15.664 1.00 1.00 H new ATOM 0 HB3 GLU A 56 4.749 -7.756 16.705 1.00 1.00 H new ATOM 0 HG2 GLU A 56 2.898 -6.217 15.559 1.00 1.00 H new ATOM 0 HG3 GLU A 56 2.137 -7.748 15.175 1.00 1.00 H new ATOM 815 N GLU A 57 6.323 -5.358 14.396 1.00 1.00 N ATOM 816 CA GLU A 57 7.373 -4.418 14.747 1.00 1.00 C ATOM 817 C GLU A 57 7.336 -3.206 13.814 1.00 1.00 C ATOM 818 O GLU A 57 7.605 -2.083 14.238 1.00 1.00 O ATOM 819 CB GLU A 57 8.747 -5.093 14.714 1.00 1.00 C ATOM 820 CG GLU A 57 8.876 -6.011 13.497 1.00 1.00 C ATOM 821 CD GLU A 57 10.331 -6.435 13.283 1.00 1.00 C ATOM 822 OE1 GLU A 57 11.208 -5.782 13.889 1.00 1.00 O ATOM 823 OE2 GLU A 57 10.533 -7.402 12.517 1.00 1.00 O ATOM 0 H GLU A 57 5.755 -5.083 13.595 1.00 1.00 H new ATOM 0 HA GLU A 57 7.198 -4.073 15.766 1.00 1.00 H new ATOM 0 HB2 GLU A 57 9.529 -4.334 14.686 1.00 1.00 H new ATOM 0 HB3 GLU A 57 8.895 -5.670 15.627 1.00 1.00 H new ATOM 0 HG2 GLU A 57 8.252 -6.894 13.635 1.00 1.00 H new ATOM 0 HG3 GLU A 57 8.509 -5.497 12.609 1.00 1.00 H new ATOM 830 N CYS A 58 6.999 -3.474 12.561 1.00 1.00 N ATOM 831 CA CYS A 58 6.923 -2.420 11.564 1.00 1.00 C ATOM 832 C CYS A 58 5.561 -1.734 11.694 1.00 1.00 C ATOM 833 O CYS A 58 5.343 -0.950 12.617 1.00 1.00 O ATOM 834 CB CYS A 58 7.157 -2.959 10.151 1.00 1.00 C ATOM 835 SG CYS A 58 8.784 -3.756 9.895 1.00 1.00 S ATOM 0 H CYS A 58 6.775 -4.406 12.213 1.00 1.00 H new ATOM 0 HA CYS A 58 7.715 -1.692 11.740 1.00 1.00 H new ATOM 0 HB2 CYS A 58 6.374 -3.680 9.918 1.00 1.00 H new ATOM 0 HB3 CYS A 58 7.055 -2.137 9.442 1.00 1.00 H new ATOM 840 N VAL A 59 4.681 -2.053 10.757 1.00 1.00 N ATOM 841 CA VAL A 59 3.347 -1.477 10.756 1.00 1.00 C ATOM 842 C VAL A 59 3.418 -0.036 11.265 1.00 1.00 C ATOM 843 O VAL A 59 3.728 0.200 12.431 1.00 1.00 O ATOM 844 CB VAL A 59 2.397 -2.354 11.575 1.00 1.00 C ATOM 845 CG1 VAL A 59 0.983 -2.321 10.994 1.00 1.00 C ATOM 846 CG2 VAL A 59 2.919 -3.789 11.668 1.00 1.00 C ATOM 0 H VAL A 59 4.865 -2.703 9.993 1.00 1.00 H new ATOM 0 HA VAL A 59 2.946 -1.445 9.743 1.00 1.00 H new ATOM 0 HB VAL A 59 2.353 -1.948 12.586 1.00 1.00 H new ATOM 0 HG11 VAL A 59 0.328 -2.952 11.595 1.00 1.00 H new ATOM 0 HG12 VAL A 59 0.609 -1.297 11.004 1.00 1.00 H new ATOM 0 HG13 VAL A 59 1.002 -2.690 9.969 1.00 1.00 H new ATOM 0 HG21 VAL A 59 2.226 -4.391 12.255 1.00 1.00 H new ATOM 0 HG22 VAL A 59 3.007 -4.210 10.666 1.00 1.00 H new ATOM 0 HG23 VAL A 59 3.897 -3.790 12.149 1.00 1.00 H new ATOM 856 N MET A 60 3.124 0.890 10.364 1.00 1.00 N ATOM 857 CA MET A 60 3.151 2.303 10.706 1.00 1.00 C ATOM 858 C MET A 60 2.812 3.168 9.491 1.00 1.00 C ATOM 859 O MET A 60 3.031 2.759 8.353 1.00 1.00 O ATOM 860 CB MET A 60 4.540 2.676 11.228 1.00 1.00 C ATOM 861 CG MET A 60 5.533 2.838 10.075 1.00 1.00 C ATOM 862 SD MET A 60 7.199 2.587 10.664 1.00 1.00 S ATOM 863 CE MET A 60 7.078 0.898 11.228 1.00 1.00 C ATOM 0 H MET A 60 2.866 0.690 9.398 1.00 1.00 H new ATOM 0 HA MET A 60 2.403 2.485 11.477 1.00 1.00 H new ATOM 0 HB2 MET A 60 4.482 3.605 11.796 1.00 1.00 H new ATOM 0 HB3 MET A 60 4.894 1.905 11.913 1.00 1.00 H new ATOM 0 HG2 MET A 60 5.306 2.122 9.285 1.00 1.00 H new ATOM 0 HG3 MET A 60 5.438 3.833 9.640 1.00 1.00 H new ATOM 0 HE1 MET A 60 8.073 0.521 11.464 1.00 1.00 H new ATOM 0 HE2 MET A 60 6.453 0.856 12.120 1.00 1.00 H new ATOM 0 HE3 MET A 60 6.633 0.284 10.445 1.00 1.00 H new ATOM 873 N GLN A 61 2.282 4.348 9.775 1.00 1.00 N ATOM 874 CA GLN A 61 1.911 5.275 8.720 1.00 1.00 C ATOM 875 C GLN A 61 3.152 5.727 7.948 1.00 1.00 C ATOM 876 O GLN A 61 4.278 5.507 8.393 1.00 1.00 O ATOM 877 CB GLN A 61 1.152 6.477 9.287 1.00 1.00 C ATOM 878 CG GLN A 61 -0.007 6.023 10.177 1.00 1.00 C ATOM 879 CD GLN A 61 0.022 6.745 11.527 1.00 1.00 C ATOM 880 OE1 GLN A 61 -0.054 6.142 12.584 1.00 1.00 O ATOM 881 NE2 GLN A 61 0.137 8.066 11.429 1.00 1.00 N ATOM 0 H GLN A 61 2.101 4.684 10.721 1.00 1.00 H new ATOM 0 HA GLN A 61 1.245 4.758 8.029 1.00 1.00 H new ATOM 0 HB2 GLN A 61 1.833 7.103 9.863 1.00 1.00 H new ATOM 0 HB3 GLN A 61 0.770 7.089 8.470 1.00 1.00 H new ATOM 0 HG2 GLN A 61 -0.954 6.220 9.675 1.00 1.00 H new ATOM 0 HG3 GLN A 61 0.052 4.946 10.335 1.00 1.00 H new ATOM 0 HE21 GLN A 61 0.196 8.506 10.511 1.00 1.00 H new ATOM 0 HE22 GLN A 61 0.166 8.639 12.272 1.00 1.00 H new ATOM 890 N VAL A 62 2.905 6.348 6.804 1.00 1.00 N ATOM 891 CA VAL A 62 3.990 6.831 5.966 1.00 1.00 C ATOM 892 C VAL A 62 4.845 7.816 6.765 1.00 1.00 C ATOM 893 O VAL A 62 6.063 7.864 6.596 1.00 1.00 O ATOM 894 CB VAL A 62 3.426 7.436 4.679 1.00 1.00 C ATOM 895 CG1 VAL A 62 4.551 7.819 3.715 1.00 1.00 C ATOM 896 CG2 VAL A 62 2.434 6.481 4.012 1.00 1.00 C ATOM 0 H VAL A 62 1.970 6.528 6.438 1.00 1.00 H new ATOM 0 HA VAL A 62 4.638 6.007 5.666 1.00 1.00 H new ATOM 0 HB VAL A 62 2.887 8.346 4.945 1.00 1.00 H new ATOM 0 HG11 VAL A 62 4.123 8.247 2.808 1.00 1.00 H new ATOM 0 HG12 VAL A 62 5.203 8.552 4.190 1.00 1.00 H new ATOM 0 HG13 VAL A 62 5.129 6.931 3.460 1.00 1.00 H new ATOM 0 HG21 VAL A 62 2.048 6.936 3.100 1.00 1.00 H new ATOM 0 HG22 VAL A 62 2.938 5.546 3.767 1.00 1.00 H new ATOM 0 HG23 VAL A 62 1.608 6.280 4.694 1.00 1.00 H new ATOM 906 N SER A 63 4.175 8.577 7.617 1.00 1.00 N ATOM 907 CA SER A 63 4.859 9.559 8.442 1.00 1.00 C ATOM 908 C SER A 63 5.305 8.916 9.757 1.00 1.00 C ATOM 909 O SER A 63 5.630 9.616 10.715 1.00 1.00 O ATOM 910 CB SER A 63 3.963 10.767 8.718 1.00 1.00 C ATOM 911 OG SER A 63 2.938 10.907 7.738 1.00 1.00 O ATOM 0 H SER A 63 3.165 8.534 7.754 1.00 1.00 H new ATOM 0 HA SER A 63 5.737 9.910 7.900 1.00 1.00 H new ATOM 0 HB2 SER A 63 3.510 10.664 9.704 1.00 1.00 H new ATOM 0 HB3 SER A 63 4.571 11.672 8.739 1.00 1.00 H new ATOM 0 HG SER A 63 2.387 11.689 7.951 1.00 1.00 H new ATOM 917 N ALA A 64 5.305 7.591 9.762 1.00 1.00 N ATOM 918 CA ALA A 64 5.706 6.847 10.944 1.00 1.00 C ATOM 919 C ALA A 64 6.974 6.049 10.634 1.00 1.00 C ATOM 920 O ALA A 64 7.600 5.497 11.537 1.00 1.00 O ATOM 921 CB ALA A 64 4.550 5.953 11.399 1.00 1.00 C ATOM 0 H ALA A 64 5.034 7.013 8.966 1.00 1.00 H new ATOM 0 HA ALA A 64 5.937 7.525 11.765 1.00 1.00 H new ATOM 0 HB1 ALA A 64 4.849 5.394 12.286 1.00 1.00 H new ATOM 0 HB2 ALA A 64 3.683 6.571 11.635 1.00 1.00 H new ATOM 0 HB3 ALA A 64 4.293 5.257 10.601 1.00 1.00 H new ATOM 927 N ARG A 65 7.315 6.015 9.353 1.00 1.00 N ATOM 928 CA ARG A 65 8.497 5.294 8.913 1.00 1.00 C ATOM 929 C ARG A 65 9.712 6.225 8.903 1.00 1.00 C ATOM 930 O ARG A 65 10.758 5.878 8.356 1.00 1.00 O ATOM 931 CB ARG A 65 8.297 4.712 7.513 1.00 1.00 C ATOM 932 CG ARG A 65 6.826 4.777 7.097 1.00 1.00 C ATOM 933 CD ARG A 65 6.531 3.785 5.970 1.00 1.00 C ATOM 934 NE ARG A 65 5.227 3.124 6.207 1.00 1.00 N ATOM 935 CZ ARG A 65 4.478 2.572 5.242 1.00 1.00 C ATOM 936 NH1 ARG A 65 4.899 2.598 3.970 1.00 1.00 N ATOM 937 NH2 ARG A 65 3.309 1.995 5.550 1.00 1.00 N ATOM 0 H ARG A 65 6.793 6.475 8.607 1.00 1.00 H new ATOM 0 HA ARG A 65 8.667 4.476 9.613 1.00 1.00 H new ATOM 0 HB2 ARG A 65 8.906 5.263 6.796 1.00 1.00 H new ATOM 0 HB3 ARG A 65 8.639 3.677 7.493 1.00 1.00 H new ATOM 0 HG2 ARG A 65 6.191 4.557 7.955 1.00 1.00 H new ATOM 0 HG3 ARG A 65 6.581 5.788 6.770 1.00 1.00 H new ATOM 0 HD2 ARG A 65 6.516 4.304 5.012 1.00 1.00 H new ATOM 0 HD3 ARG A 65 7.323 3.038 5.915 1.00 1.00 H new ATOM 0 HE ARG A 65 4.877 3.086 7.164 1.00 1.00 H new ATOM 0 HH11 ARG A 65 5.789 3.038 3.736 1.00 1.00 H new ATOM 0 HH12 ARG A 65 4.329 2.178 3.236 1.00 1.00 H new ATOM 0 HH21 ARG A 65 2.989 1.976 6.518 1.00 1.00 H new ATOM 0 HH22 ARG A 65 2.739 1.575 4.816 1.00 1.00 H new ATOM 951 N LYS A 66 9.533 7.387 9.513 1.00 1.00 N ATOM 952 CA LYS A 66 10.602 8.369 9.580 1.00 1.00 C ATOM 953 C LYS A 66 11.516 8.205 8.364 1.00 1.00 C ATOM 954 O LYS A 66 11.138 8.554 7.247 1.00 1.00 O ATOM 955 CB LYS A 66 11.335 8.271 10.919 1.00 1.00 C ATOM 956 CG LYS A 66 10.354 8.365 12.090 1.00 1.00 C ATOM 957 CD LYS A 66 10.687 7.330 13.168 1.00 1.00 C ATOM 958 CE LYS A 66 9.789 7.507 14.393 1.00 1.00 C ATOM 959 NZ LYS A 66 10.605 7.758 15.602 1.00 1.00 N ATOM 0 H LYS A 66 8.664 7.671 9.965 1.00 1.00 H new ATOM 0 HA LYS A 66 10.195 9.379 9.539 1.00 1.00 H new ATOM 0 HB2 LYS A 66 11.880 7.328 10.971 1.00 1.00 H new ATOM 0 HB3 LYS A 66 12.073 9.070 10.993 1.00 1.00 H new ATOM 0 HG2 LYS A 66 10.389 9.366 12.519 1.00 1.00 H new ATOM 0 HG3 LYS A 66 9.337 8.207 11.731 1.00 1.00 H new ATOM 0 HD2 LYS A 66 10.563 6.325 12.764 1.00 1.00 H new ATOM 0 HD3 LYS A 66 11.732 7.428 13.461 1.00 1.00 H new ATOM 0 HE2 LYS A 66 9.103 8.338 14.231 1.00 1.00 H new ATOM 0 HE3 LYS A 66 9.180 6.614 14.537 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 9.980 7.876 16.425 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 11.242 6.952 15.764 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 11.167 8.623 15.468 1.00 1.00 H new ATOM 973 N ASN A 67 12.702 7.674 8.623 1.00 1.00 N ATOM 974 CA ASN A 67 13.674 7.458 7.564 1.00 1.00 C ATOM 975 C ASN A 67 14.926 6.805 8.152 1.00 1.00 C ATOM 976 O ASN A 67 15.851 7.497 8.575 1.00 1.00 O ATOM 977 CB ASN A 67 14.089 8.784 6.922 1.00 1.00 C ATOM 978 CG ASN A 67 14.380 9.843 7.988 1.00 1.00 C ATOM 979 OD1 ASN A 67 13.491 10.356 8.648 1.00 1.00 O ATOM 980 ND2 ASN A 67 15.669 10.142 8.116 1.00 1.00 N ATOM 0 H ASN A 67 13.012 7.387 9.551 1.00 1.00 H new ATOM 0 HA ASN A 67 13.216 6.818 6.810 1.00 1.00 H new ATOM 0 HB2 ASN A 67 14.974 8.632 6.305 1.00 1.00 H new ATOM 0 HB3 ASN A 67 13.297 9.136 6.262 1.00 1.00 H new ATOM 0 HD21 ASN A 67 15.965 10.839 8.799 1.00 1.00 H new ATOM 0 HD22 ASN A 67 16.362 9.674 7.531 1.00 1.00 H new ATOM 987 N CYS A 68 14.915 5.480 8.159 1.00 1.00 N ATOM 988 CA CYS A 68 16.039 4.726 8.687 1.00 1.00 C ATOM 989 C CYS A 68 16.928 4.303 7.515 1.00 1.00 C ATOM 990 O CYS A 68 17.945 4.939 7.242 1.00 1.00 O ATOM 991 CB CYS A 68 15.575 3.524 9.513 1.00 1.00 C ATOM 992 SG CYS A 68 16.898 2.689 10.462 1.00 1.00 S ATOM 0 H CYS A 68 14.146 4.910 7.808 1.00 1.00 H new ATOM 0 HA CYS A 68 16.613 5.354 9.369 1.00 1.00 H new ATOM 0 HB2 CYS A 68 14.802 3.854 10.207 1.00 1.00 H new ATOM 0 HB3 CYS A 68 15.113 2.798 8.844 1.00 1.00 H new ATOM 997 N GLY A 69 16.511 3.233 6.854 1.00 1.00 N ATOM 998 CA GLY A 69 17.256 2.719 5.718 1.00 1.00 C ATOM 999 C GLY A 69 17.622 3.843 4.747 1.00 1.00 C ATOM 1000 O GLY A 69 17.275 5.001 4.974 1.00 1.00 O ATOM 0 H GLY A 69 15.667 2.708 7.084 1.00 1.00 H new ATOM 0 HA2 GLY A 69 18.163 2.226 6.067 1.00 1.00 H new ATOM 0 HA3 GLY A 69 16.662 1.966 5.200 1.00 1.00 H new ATOM 1004 N TYR A 70 18.319 3.463 3.686 1.00 1.00 N ATOM 1005 CA TYR A 70 18.735 4.424 2.680 1.00 1.00 C ATOM 1006 C TYR A 70 18.171 4.059 1.306 1.00 1.00 C ATOM 1007 O TYR A 70 17.634 2.968 1.121 1.00 1.00 O ATOM 1008 CB TYR A 70 20.262 4.347 2.628 1.00 1.00 C ATOM 1009 CG TYR A 70 20.798 3.162 1.821 1.00 1.00 C ATOM 1010 CD1 TYR A 70 20.843 1.904 2.387 1.00 1.00 C ATOM 1011 CD2 TYR A 70 21.235 3.352 0.525 1.00 1.00 C ATOM 1012 CE1 TYR A 70 21.347 0.790 1.627 1.00 1.00 C ATOM 1013 CE2 TYR A 70 21.740 2.238 -0.235 1.00 1.00 C ATOM 1014 CZ TYR A 70 21.770 1.012 0.354 1.00 1.00 C ATOM 1015 OH TYR A 70 22.247 -0.041 -0.365 1.00 1.00 O ATOM 0 H TYR A 70 18.606 2.502 3.502 1.00 1.00 H new ATOM 0 HA TYR A 70 18.375 5.422 2.931 1.00 1.00 H new ATOM 0 HB2 TYR A 70 20.648 5.271 2.197 1.00 1.00 H new ATOM 0 HB3 TYR A 70 20.647 4.284 3.646 1.00 1.00 H new ATOM 0 HD1 TYR A 70 20.500 1.755 3.400 1.00 1.00 H new ATOM 0 HD2 TYR A 70 21.198 4.336 0.081 1.00 1.00 H new ATOM 0 HE1 TYR A 70 21.388 -0.199 2.058 1.00 1.00 H new ATOM 0 HE2 TYR A 70 22.087 2.373 -1.249 1.00 1.00 H new ATOM 0 HH TYR A 70 22.512 0.265 -1.257 1.00 1.00 H new ATOM 1025 N PRO A 71 18.316 5.017 0.351 1.00 1.00 N ATOM 1026 CA PRO A 71 17.828 4.807 -1.001 1.00 1.00 C ATOM 1027 C PRO A 71 18.741 3.851 -1.772 1.00 1.00 C ATOM 1028 O PRO A 71 19.565 4.287 -2.575 1.00 1.00 O ATOM 1029 CB PRO A 71 17.766 6.195 -1.617 1.00 1.00 C ATOM 1030 CG PRO A 71 18.656 7.075 -0.753 1.00 1.00 C ATOM 1031 CD PRO A 71 18.948 6.320 0.534 1.00 1.00 C ATOM 0 HA PRO A 71 16.848 4.331 -1.025 1.00 1.00 H new ATOM 0 HB2 PRO A 71 18.116 6.180 -2.649 1.00 1.00 H new ATOM 0 HB3 PRO A 71 16.743 6.570 -1.632 1.00 1.00 H new ATOM 0 HG2 PRO A 71 19.583 7.311 -1.276 1.00 1.00 H new ATOM 0 HG3 PRO A 71 18.162 8.022 -0.536 1.00 1.00 H new ATOM 0 HD2 PRO A 71 20.021 6.220 0.700 1.00 1.00 H new ATOM 0 HD3 PRO A 71 18.539 6.840 1.400 1.00 1.00 H new ATOM 1039 N GLY A 72 18.564 2.566 -1.501 1.00 1.00 N ATOM 1040 CA GLY A 72 19.362 1.545 -2.158 1.00 1.00 C ATOM 1041 C GLY A 72 19.200 0.192 -1.464 1.00 1.00 C ATOM 1042 O GLY A 72 19.335 -0.854 -2.097 1.00 1.00 O ATOM 0 H GLY A 72 17.879 2.209 -0.835 1.00 1.00 H new ATOM 0 HA2 GLY A 72 19.062 1.460 -3.202 1.00 1.00 H new ATOM 0 HA3 GLY A 72 20.412 1.838 -2.151 1.00 1.00 H new ATOM 1046 N ILE A 73 18.912 0.255 -0.173 1.00 1.00 N ATOM 1047 CA ILE A 73 18.729 -0.953 0.613 1.00 1.00 C ATOM 1048 C ILE A 73 17.579 -1.771 0.025 1.00 1.00 C ATOM 1049 O ILE A 73 16.745 -1.239 -0.707 1.00 1.00 O ATOM 1050 CB ILE A 73 18.545 -0.608 2.092 1.00 1.00 C ATOM 1051 CG1 ILE A 73 18.808 -1.827 2.978 1.00 1.00 C ATOM 1052 CG2 ILE A 73 17.162 -0.002 2.345 1.00 1.00 C ATOM 1053 CD1 ILE A 73 19.006 -1.412 4.437 1.00 1.00 C ATOM 0 H ILE A 73 18.801 1.124 0.349 1.00 1.00 H new ATOM 0 HA ILE A 73 19.621 -1.577 0.564 1.00 1.00 H new ATOM 0 HB ILE A 73 19.283 0.148 2.360 1.00 1.00 H new ATOM 0 HG12 ILE A 73 17.971 -2.522 2.904 1.00 1.00 H new ATOM 0 HG13 ILE A 73 19.693 -2.355 2.623 1.00 1.00 H new ATOM 0 HG21 ILE A 73 17.056 0.234 3.404 1.00 1.00 H new ATOM 0 HG22 ILE A 73 17.051 0.909 1.757 1.00 1.00 H new ATOM 0 HG23 ILE A 73 16.393 -0.717 2.055 1.00 1.00 H new ATOM 0 HD11 ILE A 73 19.191 -2.297 5.045 1.00 1.00 H new ATOM 0 HD12 ILE A 73 19.858 -0.736 4.511 1.00 1.00 H new ATOM 0 HD13 ILE A 73 18.110 -0.906 4.796 1.00 1.00 H new ATOM 1065 N SER A 74 17.570 -3.051 0.367 1.00 1.00 N ATOM 1066 CA SER A 74 16.534 -3.948 -0.120 1.00 1.00 C ATOM 1067 C SER A 74 15.630 -4.379 1.037 1.00 1.00 C ATOM 1068 O SER A 74 15.800 -3.920 2.165 1.00 1.00 O ATOM 1069 CB SER A 74 17.144 -5.174 -0.802 1.00 1.00 C ATOM 1070 OG SER A 74 16.592 -5.393 -2.099 1.00 1.00 O ATOM 0 H SER A 74 18.262 -3.489 0.975 1.00 1.00 H new ATOM 0 HA SER A 74 15.938 -3.414 -0.859 1.00 1.00 H new ATOM 0 HB2 SER A 74 18.223 -5.044 -0.884 1.00 1.00 H new ATOM 0 HB3 SER A 74 16.976 -6.055 -0.183 1.00 1.00 H new ATOM 0 HG SER A 74 17.008 -6.183 -2.502 1.00 1.00 H new ATOM 1076 N PRO A 75 14.666 -5.278 0.708 1.00 1.00 N ATOM 1077 CA PRO A 75 13.734 -5.777 1.706 1.00 1.00 C ATOM 1078 C PRO A 75 14.413 -6.789 2.631 1.00 1.00 C ATOM 1079 O PRO A 75 14.623 -6.514 3.811 1.00 1.00 O ATOM 1080 CB PRO A 75 12.586 -6.374 0.910 1.00 1.00 C ATOM 1081 CG PRO A 75 13.127 -6.607 -0.492 1.00 1.00 C ATOM 1082 CD PRO A 75 14.436 -5.844 -0.618 1.00 1.00 C ATOM 0 HA PRO A 75 13.372 -4.994 2.373 1.00 1.00 H new ATOM 0 HB2 PRO A 75 12.245 -7.308 1.357 1.00 1.00 H new ATOM 0 HB3 PRO A 75 11.731 -5.698 0.891 1.00 1.00 H new ATOM 0 HG2 PRO A 75 13.287 -7.671 -0.668 1.00 1.00 H new ATOM 0 HG3 PRO A 75 12.412 -6.264 -1.239 1.00 1.00 H new ATOM 0 HD2 PRO A 75 15.252 -6.504 -0.914 1.00 1.00 H new ATOM 0 HD3 PRO A 75 14.367 -5.063 -1.375 1.00 1.00 H new ATOM 1090 N GLU A 76 14.735 -7.940 2.060 1.00 1.00 N ATOM 1091 CA GLU A 76 15.384 -8.997 2.818 1.00 1.00 C ATOM 1092 C GLU A 76 16.734 -8.513 3.351 1.00 1.00 C ATOM 1093 O GLU A 76 17.352 -9.177 4.183 1.00 1.00 O ATOM 1094 CB GLU A 76 15.550 -10.258 1.969 1.00 1.00 C ATOM 1095 CG GLU A 76 14.273 -11.101 1.984 1.00 1.00 C ATOM 1096 CD GLU A 76 14.602 -12.594 2.038 1.00 1.00 C ATOM 1097 OE1 GLU A 76 15.642 -12.925 2.648 1.00 1.00 O ATOM 1098 OE2 GLU A 76 13.807 -13.372 1.466 1.00 1.00 O ATOM 0 H GLU A 76 14.559 -8.164 1.081 1.00 1.00 H new ATOM 0 HA GLU A 76 14.749 -9.252 3.667 1.00 1.00 H new ATOM 0 HB2 GLU A 76 15.795 -9.981 0.944 1.00 1.00 H new ATOM 0 HB3 GLU A 76 16.384 -10.848 2.348 1.00 1.00 H new ATOM 0 HG2 GLU A 76 13.663 -10.828 2.845 1.00 1.00 H new ATOM 0 HG3 GLU A 76 13.681 -10.887 1.094 1.00 1.00 H new ATOM 1105 N ASP A 77 17.154 -7.361 2.850 1.00 1.00 N ATOM 1106 CA ASP A 77 18.420 -6.781 3.266 1.00 1.00 C ATOM 1107 C ASP A 77 18.184 -5.852 4.458 1.00 1.00 C ATOM 1108 O ASP A 77 18.812 -6.006 5.504 1.00 1.00 O ATOM 1109 CB ASP A 77 19.043 -5.954 2.139 1.00 1.00 C ATOM 1110 CG ASP A 77 19.358 -6.735 0.862 1.00 1.00 C ATOM 1111 OD1 ASP A 77 18.660 -7.746 0.629 1.00 1.00 O ATOM 1112 OD2 ASP A 77 20.291 -6.305 0.149 1.00 1.00 O ATOM 0 H ASP A 77 16.640 -6.813 2.160 1.00 1.00 H new ATOM 0 HA ASP A 77 19.093 -7.596 3.531 1.00 1.00 H new ATOM 0 HB2 ASP A 77 18.365 -5.138 1.890 1.00 1.00 H new ATOM 0 HB3 ASP A 77 19.964 -5.502 2.507 1.00 1.00 H new ATOM 1117 N CYS A 78 17.276 -4.906 4.261 1.00 1.00 N ATOM 1118 CA CYS A 78 16.949 -3.953 5.307 1.00 1.00 C ATOM 1119 C CYS A 78 16.839 -4.711 6.631 1.00 1.00 C ATOM 1120 O CYS A 78 17.525 -4.382 7.597 1.00 1.00 O ATOM 1121 CB CYS A 78 15.669 -3.178 4.985 1.00 1.00 C ATOM 1122 SG CYS A 78 15.528 -1.552 5.814 1.00 1.00 S ATOM 0 H CYS A 78 16.757 -4.780 3.392 1.00 1.00 H new ATOM 0 HA CYS A 78 17.739 -3.206 5.382 1.00 1.00 H new ATOM 0 HB2 CYS A 78 15.614 -3.027 3.907 1.00 1.00 H new ATOM 0 HB3 CYS A 78 14.811 -3.789 5.265 1.00 1.00 H new ATOM 1127 N ALA A 79 15.970 -5.711 6.633 1.00 1.00 N ATOM 1128 CA ALA A 79 15.761 -6.518 7.823 1.00 1.00 C ATOM 1129 C ALA A 79 17.041 -7.296 8.138 1.00 1.00 C ATOM 1130 O ALA A 79 17.362 -7.526 9.303 1.00 1.00 O ATOM 1131 CB ALA A 79 14.558 -7.439 7.610 1.00 1.00 C ATOM 0 H ALA A 79 15.403 -5.981 5.830 1.00 1.00 H new ATOM 0 HA ALA A 79 15.540 -5.885 8.682 1.00 1.00 H new ATOM 0 HB1 ALA A 79 14.401 -8.045 8.503 1.00 1.00 H new ATOM 0 HB2 ALA A 79 13.669 -6.838 7.418 1.00 1.00 H new ATOM 0 HB3 ALA A 79 14.746 -8.091 6.757 1.00 1.00 H new ATOM 1137 N ALA A 80 17.739 -7.679 7.077 1.00 1.00 N ATOM 1138 CA ALA A 80 18.976 -8.425 7.226 1.00 1.00 C ATOM 1139 C ALA A 80 20.150 -7.447 7.310 1.00 1.00 C ATOM 1140 O ALA A 80 21.281 -7.799 6.979 1.00 1.00 O ATOM 1141 CB ALA A 80 19.121 -9.410 6.065 1.00 1.00 C ATOM 0 H ALA A 80 17.470 -7.486 6.112 1.00 1.00 H new ATOM 0 HA ALA A 80 18.964 -9.006 8.148 1.00 1.00 H new ATOM 0 HB1 ALA A 80 20.049 -9.970 6.177 1.00 1.00 H new ATOM 0 HB2 ALA A 80 18.278 -10.101 6.067 1.00 1.00 H new ATOM 0 HB3 ALA A 80 19.139 -8.862 5.123 1.00 1.00 H new ATOM 1147 N ARG A 81 19.840 -6.238 7.755 1.00 1.00 N ATOM 1148 CA ARG A 81 20.855 -5.207 7.887 1.00 1.00 C ATOM 1149 C ARG A 81 20.526 -4.286 9.065 1.00 1.00 C ATOM 1150 O ARG A 81 21.379 -4.031 9.913 1.00 1.00 O ATOM 1151 CB ARG A 81 20.961 -4.371 6.610 1.00 1.00 C ATOM 1152 CG ARG A 81 22.011 -4.952 5.661 1.00 1.00 C ATOM 1153 CD ARG A 81 21.462 -5.059 4.236 1.00 1.00 C ATOM 1154 NE ARG A 81 22.518 -4.716 3.259 1.00 1.00 N ATOM 1155 CZ ARG A 81 23.137 -3.528 3.208 1.00 1.00 C ATOM 1156 NH1 ARG A 81 22.807 -2.563 4.077 1.00 1.00 N ATOM 1157 NH2 ARG A 81 24.084 -3.304 2.287 1.00 1.00 N ATOM 0 H ARG A 81 18.901 -5.950 8.029 1.00 1.00 H new ATOM 0 HA ARG A 81 21.810 -5.703 8.064 1.00 1.00 H new ATOM 0 HB2 ARG A 81 19.993 -4.338 6.111 1.00 1.00 H new ATOM 0 HB3 ARG A 81 21.223 -3.344 6.864 1.00 1.00 H new ATOM 0 HG2 ARG A 81 22.900 -4.321 5.666 1.00 1.00 H new ATOM 0 HG3 ARG A 81 22.318 -5.937 6.011 1.00 1.00 H new ATOM 0 HD2 ARG A 81 21.100 -6.071 4.052 1.00 1.00 H new ATOM 0 HD3 ARG A 81 20.611 -4.389 4.114 1.00 1.00 H new ATOM 0 HE ARG A 81 22.792 -5.428 2.582 1.00 1.00 H new ATOM 0 HH11 ARG A 81 22.085 -2.732 4.777 1.00 1.00 H new ATOM 0 HH12 ARG A 81 23.278 -1.659 4.038 1.00 1.00 H new ATOM 0 HH21 ARG A 81 24.334 -4.038 1.624 1.00 1.00 H new ATOM 0 HH22 ARG A 81 24.555 -2.400 2.249 1.00 1.00 H new ATOM 1171 N ASN A 82 19.289 -3.815 9.078 1.00 1.00 N ATOM 1172 CA ASN A 82 18.837 -2.928 10.138 1.00 1.00 C ATOM 1173 C ASN A 82 17.820 -1.937 9.569 1.00 1.00 C ATOM 1174 O ASN A 82 18.143 -1.156 8.674 1.00 1.00 O ATOM 1175 CB ASN A 82 20.004 -2.128 10.720 1.00 1.00 C ATOM 1176 CG ASN A 82 20.906 -1.587 9.610 1.00 1.00 C ATOM 1177 OD1 ASN A 82 22.174 -1.424 9.974 1.00 1.00 O flip ATOM 1178 ND2 ASN A 82 20.479 -1.333 8.495 1.00 1.00 N flip ATOM 0 H ASN A 82 18.585 -4.030 8.372 1.00 1.00 H new ATOM 0 HA ASN A 82 18.392 -3.539 10.923 1.00 1.00 H new ATOM 0 HB2 ASN A 82 19.620 -1.301 11.317 1.00 1.00 H new ATOM 0 HB3 ASN A 82 20.586 -2.762 11.390 1.00 1.00 H new ATOM 0 HD21 ASN A 82 19.493 -1.481 8.281 1.00 1.00 H new ATOM 0 HD22 ASN A 82 21.108 -0.973 7.778 1.00 1.00 H new ATOM 1185 N CYS A 83 16.613 -1.999 10.111 1.00 1.00 N ATOM 1186 CA CYS A 83 15.546 -1.118 9.668 1.00 1.00 C ATOM 1187 C CYS A 83 14.508 -1.956 8.921 1.00 1.00 C ATOM 1188 O CYS A 83 14.852 -2.943 8.272 1.00 1.00 O ATOM 1189 CB CYS A 83 16.082 0.028 8.806 1.00 1.00 C ATOM 1190 SG CYS A 83 17.299 1.111 9.639 1.00 1.00 S ATOM 0 H CYS A 83 16.350 -2.647 10.854 1.00 1.00 H new ATOM 0 HA CYS A 83 15.077 -0.648 10.532 1.00 1.00 H new ATOM 0 HB2 CYS A 83 16.543 -0.393 7.913 1.00 1.00 H new ATOM 0 HB3 CYS A 83 15.242 0.638 8.474 1.00 1.00 H new ATOM 1195 N CYS A 84 13.257 -1.533 9.039 1.00 1.00 N ATOM 1196 CA CYS A 84 12.166 -2.233 8.383 1.00 1.00 C ATOM 1197 C CYS A 84 12.157 -1.832 6.907 1.00 1.00 C ATOM 1198 O CYS A 84 12.863 -0.908 6.506 1.00 1.00 O ATOM 1199 CB CYS A 84 10.824 -1.948 9.060 1.00 1.00 C ATOM 1200 SG CYS A 84 10.436 -3.034 10.482 1.00 1.00 S ATOM 0 H CYS A 84 12.976 -0.715 9.579 1.00 1.00 H new ATOM 0 HA CYS A 84 12.319 -3.309 8.465 1.00 1.00 H new ATOM 0 HB2 CYS A 84 10.817 -0.912 9.399 1.00 1.00 H new ATOM 0 HB3 CYS A 84 10.031 -2.046 8.319 1.00 1.00 H new ATOM 1205 N PHE A 85 11.349 -2.548 6.137 1.00 1.00 N ATOM 1206 CA PHE A 85 11.239 -2.279 4.713 1.00 1.00 C ATOM 1207 C PHE A 85 9.813 -2.524 4.218 1.00 1.00 C ATOM 1208 O PHE A 85 9.413 -3.668 4.008 1.00 1.00 O ATOM 1209 CB PHE A 85 12.188 -3.245 4.001 1.00 1.00 C ATOM 1210 CG PHE A 85 12.321 -2.990 2.498 1.00 1.00 C ATOM 1211 CD1 PHE A 85 11.277 -3.258 1.667 1.00 1.00 C ATOM 1212 CD2 PHE A 85 13.483 -2.498 1.993 1.00 1.00 C ATOM 1213 CE1 PHE A 85 11.401 -3.021 0.273 1.00 1.00 C ATOM 1214 CE2 PHE A 85 13.607 -2.261 0.598 1.00 1.00 C ATOM 1215 CZ PHE A 85 12.563 -2.528 -0.233 1.00 1.00 C ATOM 0 H PHE A 85 10.765 -3.314 6.473 1.00 1.00 H new ATOM 0 HA PHE A 85 11.491 -1.238 4.510 1.00 1.00 H new ATOM 0 HB2 PHE A 85 13.174 -3.174 4.460 1.00 1.00 H new ATOM 0 HB3 PHE A 85 11.836 -4.265 4.157 1.00 1.00 H new ATOM 0 HD1 PHE A 85 10.354 -3.651 2.068 1.00 1.00 H new ATOM 0 HD2 PHE A 85 14.312 -2.287 2.652 1.00 1.00 H new ATOM 0 HE1 PHE A 85 10.572 -3.232 -0.386 1.00 1.00 H new ATOM 0 HE2 PHE A 85 14.530 -1.869 0.197 1.00 1.00 H new ATOM 0 HZ PHE A 85 12.657 -2.348 -1.294 1.00 1.00 H new ATOM 1225 N SER A 86 9.084 -1.430 4.046 1.00 1.00 N ATOM 1226 CA SER A 86 7.711 -1.513 3.578 1.00 1.00 C ATOM 1227 C SER A 86 7.486 -0.520 2.436 1.00 1.00 C ATOM 1228 O SER A 86 7.066 0.612 2.667 1.00 1.00 O ATOM 1229 CB SER A 86 6.725 -1.243 4.718 1.00 1.00 C ATOM 1230 OG SER A 86 5.379 -1.174 4.253 1.00 1.00 O ATOM 0 H SER A 86 9.418 -0.483 4.222 1.00 1.00 H new ATOM 0 HA SER A 86 7.535 -2.524 3.211 1.00 1.00 H new ATOM 0 HB2 SER A 86 6.810 -2.031 5.466 1.00 1.00 H new ATOM 0 HB3 SER A 86 6.987 -0.307 5.210 1.00 1.00 H new ATOM 0 HG SER A 86 5.275 -1.748 3.466 1.00 1.00 H new ATOM 1236 N ASP A 87 7.776 -0.982 1.228 1.00 1.00 N ATOM 1237 CA ASP A 87 7.611 -0.149 0.050 1.00 1.00 C ATOM 1238 C ASP A 87 6.124 -0.057 -0.301 1.00 1.00 C ATOM 1239 O ASP A 87 5.747 0.637 -1.244 1.00 1.00 O ATOM 1240 CB ASP A 87 8.344 -0.745 -1.154 1.00 1.00 C ATOM 1241 CG ASP A 87 7.581 -1.843 -1.897 1.00 1.00 C ATOM 1242 OD1 ASP A 87 6.927 -2.650 -1.201 1.00 1.00 O ATOM 1243 OD2 ASP A 87 7.669 -1.851 -3.143 1.00 1.00 O ATOM 0 H ASP A 87 8.124 -1.922 1.040 1.00 1.00 H new ATOM 0 HA ASP A 87 8.024 0.835 0.273 1.00 1.00 H new ATOM 0 HB2 ASP A 87 8.571 0.058 -1.856 1.00 1.00 H new ATOM 0 HB3 ASP A 87 9.297 -1.151 -0.815 1.00 1.00 H new ATOM 1248 N THR A 88 5.321 -0.768 0.476 1.00 1.00 N ATOM 1249 CA THR A 88 3.885 -0.776 0.260 1.00 1.00 C ATOM 1250 C THR A 88 3.421 0.575 -0.289 1.00 1.00 C ATOM 1251 O THR A 88 2.526 0.633 -1.131 1.00 1.00 O ATOM 1252 CB THR A 88 3.210 -1.159 1.578 1.00 1.00 C ATOM 1253 OG1 THR A 88 1.817 -1.133 1.277 1.00 1.00 O ATOM 1254 CG2 THR A 88 3.379 -0.088 2.657 1.00 1.00 C ATOM 0 H THR A 88 5.638 -1.343 1.257 1.00 1.00 H new ATOM 0 HA THR A 88 3.603 -1.512 -0.492 1.00 1.00 H new ATOM 0 HB THR A 88 3.624 -2.102 1.936 1.00 1.00 H new ATOM 0 HG1 THR A 88 1.305 -1.371 2.078 1.00 1.00 H new ATOM 0 HG21 THR A 88 2.881 -0.411 3.571 1.00 1.00 H new ATOM 0 HG22 THR A 88 4.440 0.064 2.856 1.00 1.00 H new ATOM 0 HG23 THR A 88 2.937 0.847 2.314 1.00 1.00 H new ATOM 1262 N ILE A 89 4.049 1.629 0.211 1.00 1.00 N ATOM 1263 CA ILE A 89 3.713 2.975 -0.218 1.00 1.00 C ATOM 1264 C ILE A 89 4.914 3.593 -0.936 1.00 1.00 C ATOM 1265 O ILE A 89 5.912 3.936 -0.302 1.00 1.00 O ATOM 1266 CB ILE A 89 3.210 3.805 0.965 1.00 1.00 C ATOM 1267 CG1 ILE A 89 1.727 3.538 1.231 1.00 1.00 C ATOM 1268 CG2 ILE A 89 3.496 5.293 0.752 1.00 1.00 C ATOM 1269 CD1 ILE A 89 1.514 2.982 2.640 1.00 1.00 C ATOM 0 H ILE A 89 4.790 1.577 0.910 1.00 1.00 H new ATOM 0 HA ILE A 89 2.891 2.952 -0.934 1.00 1.00 H new ATOM 0 HB ILE A 89 3.757 3.497 1.856 1.00 1.00 H new ATOM 0 HG12 ILE A 89 1.160 4.461 1.111 1.00 1.00 H new ATOM 0 HG13 ILE A 89 1.343 2.831 0.495 1.00 1.00 H new ATOM 0 HG21 ILE A 89 3.128 5.860 1.607 1.00 1.00 H new ATOM 0 HG22 ILE A 89 4.570 5.446 0.650 1.00 1.00 H new ATOM 0 HG23 ILE A 89 2.993 5.634 -0.153 1.00 1.00 H new ATOM 0 HD11 ILE A 89 0.452 2.801 2.803 1.00 1.00 H new ATOM 0 HD12 ILE A 89 2.062 2.046 2.749 1.00 1.00 H new ATOM 0 HD13 ILE A 89 1.876 3.702 3.374 1.00 1.00 H new ATOM 1281 N PRO A 90 4.777 3.719 -2.283 1.00 1.00 N ATOM 1282 CA PRO A 90 5.839 4.289 -3.093 1.00 1.00 C ATOM 1283 C PRO A 90 5.904 5.808 -2.923 1.00 1.00 C ATOM 1284 O PRO A 90 4.872 6.477 -2.894 1.00 1.00 O ATOM 1285 CB PRO A 90 5.519 3.864 -4.517 1.00 1.00 C ATOM 1286 CG PRO A 90 4.051 3.470 -4.514 1.00 1.00 C ATOM 1287 CD PRO A 90 3.611 3.323 -3.067 1.00 1.00 C ATOM 0 HA PRO A 90 6.827 3.936 -2.799 1.00 1.00 H new ATOM 0 HB2 PRO A 90 5.704 4.678 -5.218 1.00 1.00 H new ATOM 0 HB3 PRO A 90 6.147 3.028 -4.826 1.00 1.00 H new ATOM 0 HG2 PRO A 90 3.452 4.227 -5.020 1.00 1.00 H new ATOM 0 HG3 PRO A 90 3.906 2.534 -5.054 1.00 1.00 H new ATOM 0 HD2 PRO A 90 2.752 3.958 -2.848 1.00 1.00 H new ATOM 0 HD3 PRO A 90 3.314 2.298 -2.845 1.00 1.00 H new ATOM 1295 N GLU A 91 7.127 6.308 -2.815 1.00 1.00 N ATOM 1296 CA GLU A 91 7.339 7.735 -2.648 1.00 1.00 C ATOM 1297 C GLU A 91 7.440 8.087 -1.162 1.00 1.00 C ATOM 1298 O GLU A 91 7.053 9.180 -0.752 1.00 1.00 O ATOM 1299 CB GLU A 91 6.228 8.538 -3.328 1.00 1.00 C ATOM 1300 CG GLU A 91 5.118 8.889 -2.334 1.00 1.00 C ATOM 1301 CD GLU A 91 3.753 8.914 -3.024 1.00 1.00 C ATOM 1302 OE1 GLU A 91 3.747 9.046 -4.267 1.00 1.00 O ATOM 1303 OE2 GLU A 91 2.746 8.800 -2.292 1.00 1.00 O ATOM 0 H GLU A 91 7.980 5.750 -2.840 1.00 1.00 H new ATOM 0 HA GLU A 91 8.280 8.001 -3.129 1.00 1.00 H new ATOM 0 HB2 GLU A 91 6.643 9.452 -3.753 1.00 1.00 H new ATOM 0 HB3 GLU A 91 5.812 7.962 -4.155 1.00 1.00 H new ATOM 0 HG2 GLU A 91 5.107 8.160 -1.524 1.00 1.00 H new ATOM 0 HG3 GLU A 91 5.321 9.861 -1.885 1.00 1.00 H new ATOM 1310 N VAL A 92 7.963 7.141 -0.397 1.00 1.00 N ATOM 1311 CA VAL A 92 8.118 7.337 1.034 1.00 1.00 C ATOM 1312 C VAL A 92 9.269 6.465 1.541 1.00 1.00 C ATOM 1313 O VAL A 92 9.873 5.718 0.772 1.00 1.00 O ATOM 1314 CB VAL A 92 6.795 7.056 1.749 1.00 1.00 C ATOM 1315 CG1 VAL A 92 5.605 7.483 0.888 1.00 1.00 C ATOM 1316 CG2 VAL A 92 6.686 5.580 2.140 1.00 1.00 C ATOM 0 H VAL A 92 8.285 6.236 -0.741 1.00 1.00 H new ATOM 0 HA VAL A 92 8.374 8.374 1.252 1.00 1.00 H new ATOM 0 HB VAL A 92 6.777 7.648 2.664 1.00 1.00 H new ATOM 0 HG11 VAL A 92 4.677 7.272 1.420 1.00 1.00 H new ATOM 0 HG12 VAL A 92 5.670 8.551 0.681 1.00 1.00 H new ATOM 0 HG13 VAL A 92 5.619 6.930 -0.051 1.00 1.00 H new ATOM 0 HG21 VAL A 92 5.737 5.407 2.647 1.00 1.00 H new ATOM 0 HG22 VAL A 92 6.737 4.961 1.244 1.00 1.00 H new ATOM 0 HG23 VAL A 92 7.507 5.319 2.808 1.00 1.00 H new ATOM 1326 N PRO A 93 9.544 6.591 2.867 1.00 1.00 N ATOM 1327 CA PRO A 93 10.611 5.823 3.486 1.00 1.00 C ATOM 1328 C PRO A 93 10.197 4.362 3.676 1.00 1.00 C ATOM 1329 O PRO A 93 9.552 4.021 4.665 1.00 1.00 O ATOM 1330 CB PRO A 93 10.898 6.535 4.799 1.00 1.00 C ATOM 1331 CG PRO A 93 9.675 7.392 5.083 1.00 1.00 C ATOM 1332 CD PRO A 93 8.850 7.465 3.809 1.00 1.00 C ATOM 0 HA PRO A 93 11.508 5.777 2.869 1.00 1.00 H new ATOM 0 HB2 PRO A 93 11.068 5.819 5.603 1.00 1.00 H new ATOM 0 HB3 PRO A 93 11.796 7.148 4.723 1.00 1.00 H new ATOM 0 HG2 PRO A 93 9.087 6.962 5.894 1.00 1.00 H new ATOM 0 HG3 PRO A 93 9.974 8.391 5.401 1.00 1.00 H new ATOM 0 HD2 PRO A 93 7.827 7.130 3.980 1.00 1.00 H new ATOM 0 HD3 PRO A 93 8.792 8.486 3.433 1.00 1.00 H new ATOM 1340 N TRP A 94 10.587 3.540 2.712 1.00 1.00 N ATOM 1341 CA TRP A 94 10.264 2.125 2.761 1.00 1.00 C ATOM 1342 C TRP A 94 10.935 1.529 4.000 1.00 1.00 C ATOM 1343 O TRP A 94 10.356 0.680 4.676 1.00 1.00 O ATOM 1344 CB TRP A 94 10.674 1.425 1.463 1.00 1.00 C ATOM 1345 CG TRP A 94 10.014 2.000 0.210 1.00 1.00 C ATOM 1346 CD1 TRP A 94 9.110 2.986 0.132 1.00 1.00 C ATOM 1347 CD2 TRP A 94 10.244 1.581 -1.153 1.00 1.00 C ATOM 1348 NE1 TRP A 94 8.741 3.232 -1.176 1.00 1.00 N ATOM 1349 CE2 TRP A 94 9.453 2.351 -1.981 1.00 1.00 C ATOM 1350 CE3 TRP A 94 11.092 0.585 -1.667 1.00 1.00 C ATOM 1351 CZ2 TRP A 94 9.432 2.206 -3.373 1.00 1.00 C ATOM 1352 CZ3 TRP A 94 11.059 0.452 -3.061 1.00 1.00 C ATOM 1353 CH2 TRP A 94 10.269 1.220 -3.909 1.00 1.00 C ATOM 0 H TRP A 94 11.123 3.827 1.893 1.00 1.00 H new ATOM 0 HA TRP A 94 9.187 1.977 2.844 1.00 1.00 H new ATOM 0 HB2 TRP A 94 11.756 1.491 1.353 1.00 1.00 H new ATOM 0 HB3 TRP A 94 10.425 0.367 1.539 1.00 1.00 H new ATOM 0 HD1 TRP A 94 8.719 3.521 0.985 1.00 1.00 H new ATOM 0 HE1 TRP A 94 8.070 3.931 -1.493 1.00 1.00 H new ATOM 0 HE3 TRP A 94 11.719 -0.029 -1.037 1.00 1.00 H new ATOM 0 HZ2 TRP A 94 8.804 2.822 -4.000 1.00 1.00 H new ATOM 0 HZ3 TRP A 94 11.692 -0.300 -3.509 1.00 1.00 H new ATOM 0 HH2 TRP A 94 10.301 1.057 -4.976 1.00 1.00 H new ATOM 1364 N CYS A 95 12.147 1.998 4.260 1.00 1.00 N ATOM 1365 CA CYS A 95 12.903 1.522 5.406 1.00 1.00 C ATOM 1366 C CYS A 95 12.753 2.541 6.537 1.00 1.00 C ATOM 1367 O CYS A 95 12.999 3.731 6.341 1.00 1.00 O ATOM 1368 CB CYS A 95 14.370 1.272 5.053 1.00 1.00 C ATOM 1369 SG CYS A 95 14.700 -0.329 4.230 1.00 1.00 S ATOM 0 H CYS A 95 12.624 2.702 3.697 1.00 1.00 H new ATOM 0 HA CYS A 95 12.508 0.559 5.731 1.00 1.00 H new ATOM 0 HB2 CYS A 95 14.715 2.076 4.403 1.00 1.00 H new ATOM 0 HB3 CYS A 95 14.963 1.324 5.966 1.00 1.00 H new ATOM 1374 N PHE A 96 12.354 2.038 7.696 1.00 1.00 N ATOM 1375 CA PHE A 96 12.169 2.891 8.857 1.00 1.00 C ATOM 1376 C PHE A 96 12.795 2.262 10.104 1.00 1.00 C ATOM 1377 O PHE A 96 13.564 1.308 10.003 1.00 1.00 O ATOM 1378 CB PHE A 96 10.661 3.032 9.075 1.00 1.00 C ATOM 1379 CG PHE A 96 9.860 1.780 8.711 1.00 1.00 C ATOM 1380 CD1 PHE A 96 9.590 1.500 7.407 1.00 1.00 C ATOM 1381 CD2 PHE A 96 9.418 0.947 9.690 1.00 1.00 C ATOM 1382 CE1 PHE A 96 8.847 0.339 7.069 1.00 1.00 C ATOM 1383 CE2 PHE A 96 8.676 -0.215 9.353 1.00 1.00 C ATOM 1384 CZ PHE A 96 8.405 -0.495 8.049 1.00 1.00 C ATOM 0 H PHE A 96 12.154 1.051 7.856 1.00 1.00 H new ATOM 0 HA PHE A 96 12.647 3.856 8.689 1.00 1.00 H new ATOM 0 HB2 PHE A 96 10.477 3.277 10.121 1.00 1.00 H new ATOM 0 HB3 PHE A 96 10.295 3.870 8.482 1.00 1.00 H new ATOM 0 HD1 PHE A 96 9.941 2.162 6.629 1.00 1.00 H new ATOM 0 HD2 PHE A 96 9.632 1.170 10.725 1.00 1.00 H new ATOM 0 HE1 PHE A 96 8.632 0.118 6.034 1.00 1.00 H new ATOM 0 HE2 PHE A 96 8.326 -0.877 10.131 1.00 1.00 H new ATOM 0 HZ PHE A 96 7.840 -1.379 7.792 1.00 1.00 H new ATOM 1394 N PHE A 97 12.440 2.821 11.251 1.00 1.00 N ATOM 1395 CA PHE A 97 12.958 2.327 12.516 1.00 1.00 C ATOM 1396 C PHE A 97 11.907 1.489 13.248 1.00 1.00 C ATOM 1397 O PHE A 97 10.878 2.011 13.676 1.00 1.00 O ATOM 1398 CB PHE A 97 13.300 3.550 13.369 1.00 1.00 C ATOM 1399 CG PHE A 97 14.149 4.596 12.643 1.00 1.00 C ATOM 1400 CD1 PHE A 97 15.469 4.363 12.415 1.00 1.00 C ATOM 1401 CD2 PHE A 97 13.581 5.760 12.224 1.00 1.00 C ATOM 1402 CE1 PHE A 97 16.255 5.334 11.741 1.00 1.00 C ATOM 1403 CE2 PHE A 97 14.367 6.731 11.550 1.00 1.00 C ATOM 1404 CZ PHE A 97 15.688 6.498 11.322 1.00 1.00 C ATOM 0 H PHE A 97 11.800 3.611 11.331 1.00 1.00 H new ATOM 0 HA PHE A 97 13.830 1.697 12.340 1.00 1.00 H new ATOM 0 HB2 PHE A 97 12.374 4.017 13.704 1.00 1.00 H new ATOM 0 HB3 PHE A 97 13.832 3.221 14.262 1.00 1.00 H new ATOM 0 HD1 PHE A 97 15.919 3.439 12.747 1.00 1.00 H new ATOM 0 HD2 PHE A 97 12.532 5.945 12.404 1.00 1.00 H new ATOM 0 HE1 PHE A 97 17.304 5.149 11.561 1.00 1.00 H new ATOM 0 HE2 PHE A 97 13.916 7.655 11.218 1.00 1.00 H new ATOM 0 HZ PHE A 97 16.286 7.236 10.809 1.00 1.00 H new ATOM 1414 N PRO A 98 12.209 0.169 13.372 1.00 1.00 N ATOM 1415 CA PRO A 98 11.303 -0.747 14.045 1.00 1.00 C ATOM 1416 C PRO A 98 11.357 -0.556 15.562 1.00 1.00 C ATOM 1417 O PRO A 98 12.332 -0.942 16.206 1.00 1.00 O ATOM 1418 CB PRO A 98 11.745 -2.133 13.603 1.00 1.00 C ATOM 1419 CG PRO A 98 13.161 -1.970 13.077 1.00 1.00 C ATOM 1420 CD PRO A 98 13.417 -0.485 12.878 1.00 1.00 C ATOM 0 HA PRO A 98 10.259 -0.575 13.783 1.00 1.00 H new ATOM 0 HB2 PRO A 98 11.716 -2.836 14.435 1.00 1.00 H new ATOM 0 HB3 PRO A 98 11.084 -2.526 12.830 1.00 1.00 H new ATOM 0 HG2 PRO A 98 13.880 -2.390 13.780 1.00 1.00 H new ATOM 0 HG3 PRO A 98 13.283 -2.508 12.137 1.00 1.00 H new ATOM 0 HD2 PRO A 98 14.298 -0.158 13.430 1.00 1.00 H new ATOM 0 HD3 PRO A 98 13.593 -0.251 11.828 1.00 1.00 H new ATOM 1428 N MET A 99 10.297 0.039 16.089 1.00 1.00 N ATOM 1429 CA MET A 99 10.212 0.285 17.519 1.00 1.00 C ATOM 1430 C MET A 99 9.151 1.343 17.830 1.00 1.00 C ATOM 1431 O MET A 99 8.464 1.822 16.930 1.00 1.00 O ATOM 1432 CB MET A 99 11.572 0.758 18.038 1.00 1.00 C ATOM 1433 CG MET A 99 12.230 -0.318 18.906 1.00 1.00 C ATOM 1434 SD MET A 99 12.686 0.372 20.488 1.00 1.00 S ATOM 1435 CE MET A 99 14.387 -0.163 20.580 1.00 1.00 C ATOM 0 H MET A 99 9.490 0.358 15.552 1.00 1.00 H new ATOM 0 HA MET A 99 9.928 -0.644 18.013 1.00 1.00 H new ATOM 0 HB2 MET A 99 12.222 1.001 17.197 1.00 1.00 H new ATOM 0 HB3 MET A 99 11.446 1.672 18.618 1.00 1.00 H new ATOM 0 HG2 MET A 99 11.544 -1.153 19.048 1.00 1.00 H new ATOM 0 HG3 MET A 99 13.113 -0.713 18.404 1.00 1.00 H new ATOM 0 HE1 MET A 99 14.828 0.185 21.514 1.00 1.00 H new ATOM 0 HE2 MET A 99 14.429 -1.252 20.543 1.00 1.00 H new ATOM 0 HE3 MET A 99 14.944 0.250 19.739 1.00 1.00 H new ATOM 1445 N SER A 100 9.051 1.676 19.109 1.00 1.00 N ATOM 1446 CA SER A 100 8.086 2.668 19.550 1.00 1.00 C ATOM 1447 C SER A 100 6.664 2.132 19.369 1.00 1.00 C ATOM 1448 O SER A 100 6.195 1.976 18.243 1.00 1.00 O ATOM 1449 CB SER A 100 8.259 3.982 18.787 1.00 1.00 C ATOM 1450 OG SER A 100 7.458 4.025 17.609 1.00 1.00 O ATOM 0 H SER A 100 9.622 1.276 19.853 1.00 1.00 H new ATOM 0 HA SER A 100 8.260 2.868 20.607 1.00 1.00 H new ATOM 0 HB2 SER A 100 7.993 4.816 19.437 1.00 1.00 H new ATOM 0 HB3 SER A 100 9.307 4.109 18.517 1.00 1.00 H new ATOM 0 HG SER A 100 7.269 3.112 17.309 1.00 1.00 H new ATOM 1456 N VAL A 101 6.019 1.865 20.495 1.00 1.00 N ATOM 1457 CA VAL A 101 4.660 1.349 20.474 1.00 1.00 C ATOM 1458 C VAL A 101 3.973 1.681 21.800 1.00 1.00 C ATOM 1459 O VAL A 101 3.795 2.850 22.136 1.00 1.00 O ATOM 1460 CB VAL A 101 4.674 -0.149 20.165 1.00 1.00 C ATOM 1461 CG1 VAL A 101 4.977 -0.402 18.687 1.00 1.00 C ATOM 1462 CG2 VAL A 101 5.669 -0.885 21.063 1.00 1.00 C ATOM 0 H VAL A 101 6.412 1.996 21.427 1.00 1.00 H new ATOM 0 HA VAL A 101 4.082 1.824 19.681 1.00 1.00 H new ATOM 0 HB VAL A 101 3.680 -0.543 20.374 1.00 1.00 H new ATOM 0 HG11 VAL A 101 4.981 -1.475 18.495 1.00 1.00 H new ATOM 0 HG12 VAL A 101 4.213 0.074 18.072 1.00 1.00 H new ATOM 0 HG13 VAL A 101 5.953 0.014 18.439 1.00 1.00 H new ATOM 0 HG21 VAL A 101 5.659 -1.948 20.822 1.00 1.00 H new ATOM 0 HG22 VAL A 101 6.670 -0.486 20.901 1.00 1.00 H new ATOM 0 HG23 VAL A 101 5.388 -0.747 22.107 1.00 1.00 H new ATOM 1472 N GLU A 102 3.606 0.630 22.518 1.00 1.00 N ATOM 1473 CA GLU A 102 2.943 0.794 23.800 1.00 1.00 C ATOM 1474 C GLU A 102 2.056 2.040 23.783 1.00 1.00 C ATOM 1475 O GLU A 102 2.450 3.094 24.282 1.00 1.00 O ATOM 1476 CB GLU A 102 3.961 0.862 24.940 1.00 1.00 C ATOM 1477 CG GLU A 102 3.303 0.540 26.283 1.00 1.00 C ATOM 1478 CD GLU A 102 4.342 0.490 27.405 1.00 1.00 C ATOM 1479 OE1 GLU A 102 5.053 1.507 27.566 1.00 1.00 O ATOM 1480 OE2 GLU A 102 4.403 -0.562 28.076 1.00 1.00 O ATOM 0 H GLU A 102 3.755 -0.339 22.236 1.00 1.00 H new ATOM 0 HA GLU A 102 2.311 -0.077 23.973 1.00 1.00 H new ATOM 0 HB2 GLU A 102 4.772 0.159 24.750 1.00 1.00 H new ATOM 0 HB3 GLU A 102 4.404 1.857 24.978 1.00 1.00 H new ATOM 0 HG2 GLU A 102 2.550 1.294 26.513 1.00 1.00 H new ATOM 0 HG3 GLU A 102 2.786 -0.417 26.218 1.00 1.00 H new ATOM 1487 N ASP A 103 0.875 1.880 23.204 1.00 1.00 N ATOM 1488 CA ASP A 103 -0.071 2.980 23.116 1.00 1.00 C ATOM 1489 C ASP A 103 -1.211 2.591 22.172 1.00 1.00 C ATOM 1490 O ASP A 103 -2.329 3.085 22.309 1.00 1.00 O ATOM 1491 CB ASP A 103 0.597 4.238 22.556 1.00 1.00 C ATOM 1492 CG ASP A 103 1.290 4.054 21.204 1.00 1.00 C ATOM 1493 OD1 ASP A 103 1.729 2.914 20.941 1.00 1.00 O ATOM 1494 OD2 ASP A 103 1.364 5.059 20.464 1.00 1.00 O ATOM 0 H ASP A 103 0.551 1.005 22.791 1.00 1.00 H new ATOM 0 HA ASP A 103 -0.444 3.186 24.119 1.00 1.00 H new ATOM 0 HB2 ASP A 103 -0.157 5.019 22.458 1.00 1.00 H new ATOM 0 HB3 ASP A 103 1.331 4.594 23.279 1.00 1.00 H new ATOM 1499 N CYS A 104 -0.890 1.709 21.238 1.00 1.00 N ATOM 1500 CA CYS A 104 -1.873 1.248 20.273 1.00 1.00 C ATOM 1501 C CYS A 104 -2.833 0.293 20.984 1.00 1.00 C ATOM 1502 O CYS A 104 -2.417 -0.485 21.841 1.00 1.00 O ATOM 1503 CB CYS A 104 -1.211 0.594 19.058 1.00 1.00 C ATOM 1504 SG CYS A 104 0.221 1.509 18.378 1.00 1.00 S ATOM 0 H CYS A 104 0.038 1.301 21.129 1.00 1.00 H new ATOM 0 HA CYS A 104 -2.431 2.100 19.884 1.00 1.00 H new ATOM 0 HB2 CYS A 104 -0.885 -0.408 19.335 1.00 1.00 H new ATOM 0 HB3 CYS A 104 -1.958 0.480 18.272 1.00 1.00 H new ATOM 1509 N HIS A 105 -4.098 0.383 20.602 1.00 1.00 N ATOM 1510 CA HIS A 105 -5.120 -0.464 21.192 1.00 1.00 C ATOM 1511 C HIS A 105 -6.397 -0.390 20.353 1.00 1.00 C ATOM 1512 O HIS A 105 -6.336 -0.208 19.138 1.00 1.00 O ATOM 1513 CB HIS A 105 -5.352 -0.094 22.659 1.00 1.00 C ATOM 1514 CG HIS A 105 -6.067 1.221 22.855 1.00 1.00 C ATOM 1515 ND1 HIS A 105 -5.611 2.411 22.312 1.00 1.00 N ATOM 1516 CD2 HIS A 105 -7.209 1.522 23.536 1.00 1.00 C ATOM 1517 CE1 HIS A 105 -6.448 3.377 22.659 1.00 1.00 C ATOM 1518 NE2 HIS A 105 -7.438 2.824 23.419 1.00 1.00 N ATOM 0 H HIS A 105 -4.439 1.030 19.891 1.00 1.00 H new ATOM 0 HA HIS A 105 -4.784 -1.501 21.187 1.00 1.00 H new ATOM 0 HB2 HIS A 105 -5.931 -0.885 23.135 1.00 1.00 H new ATOM 0 HB3 HIS A 105 -4.390 -0.052 23.169 1.00 1.00 H new ATOM 0 HD2 HIS A 105 -7.824 0.819 24.079 1.00 1.00 H new ATOM 0 HE1 HIS A 105 -6.362 4.419 22.388 1.00 1.00 H new ATOM 0 HE2 HIS A 105 -8.224 3.328 23.829 1.00 1.00 H new ATOM 1526 N TYR A 106 -7.525 -0.534 21.034 1.00 1.00 N ATOM 1527 CA TYR A 106 -8.814 -0.484 20.366 1.00 1.00 C ATOM 1528 C TYR A 106 -9.784 0.433 21.113 1.00 1.00 C ATOM 1529 O TYR A 106 -9.577 1.643 21.173 1.00 1.00 O ATOM 1530 CB TYR A 106 -9.358 -1.915 20.394 1.00 1.00 C ATOM 1531 CG TYR A 106 -8.367 -2.967 19.897 1.00 1.00 C ATOM 1532 CD1 TYR A 106 -7.507 -2.670 18.858 1.00 1.00 C ATOM 1533 CD2 TYR A 106 -8.331 -4.215 20.485 1.00 1.00 C ATOM 1534 CE1 TYR A 106 -6.574 -3.662 18.390 1.00 1.00 C ATOM 1535 CE2 TYR A 106 -7.398 -5.207 20.016 1.00 1.00 C ATOM 1536 CZ TYR A 106 -6.566 -4.881 18.992 1.00 1.00 C ATOM 1537 OH TYR A 106 -5.684 -5.817 18.549 1.00 1.00 O ATOM 0 H TYR A 106 -7.572 -0.685 22.042 1.00 1.00 H new ATOM 0 HA TYR A 106 -8.707 -0.097 19.353 1.00 1.00 H new ATOM 0 HB2 TYR A 106 -9.652 -2.161 21.414 1.00 1.00 H new ATOM 0 HB3 TYR A 106 -10.259 -1.962 19.783 1.00 1.00 H new ATOM 0 HD1 TYR A 106 -7.534 -1.694 18.397 1.00 1.00 H new ATOM 0 HD2 TYR A 106 -9.003 -4.448 21.298 1.00 1.00 H new ATOM 0 HE1 TYR A 106 -5.896 -3.443 17.579 1.00 1.00 H new ATOM 0 HE2 TYR A 106 -7.360 -6.187 20.468 1.00 1.00 H new ATOM 0 HH TYR A 106 -5.315 -5.536 17.686 1.00 1.00 H new TER 1547 TYR A 106