USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 959 hydrogens (13 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 NoAdj-H: B 2 PTR HN2 : B 2 PTR N : B 1 THR C :(H bumps) USER MOD Set 1.1: A 79 LYS NZ :NH3+ -163:sc= 0 (180deg=0) USER MOD Set 1.2: A 90 HIS : no HD1:sc= -0.83 X(o=-0.83,f=-0.6) USER MOD Set 2.1: A 53 CYS SG : rot 27:sc= -5.04! USER MOD Set 2.2: A 62 HIS : no HE2:sc= -7.95! C(o=-13!,f=-12!) USER MOD Set 3.1: A 46 ASN : amide:sc= -1.04! C(o=-1.2!,f=-7.4!) USER MOD Set 3.2: A 47 ASN : amide:sc= -0.108 K(o=-1.2,f=-2.4!) USER MOD Set 4.1: A 36 ASN : amide:sc= -6.5! C(o=-8.5!,f=-21!) USER MOD Set 4.2: A 56 HIS : no HE2:sc= -2.01 K(o=-8.5,f=-18!) USER MOD Set 5.1: A 17 HIS : no HD1:sc= -3.55! K(o=-9!,f=-8.1) USER MOD Set 5.2: A 107 GLN : amide:sc= -5.4! C(o=-9!,f=-12!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.185 USER MOD Single : A 9 SER OG : rot -84:sc= 0.192! USER MOD Single : A 10 HIS : no HD1:sc= -5.82! K(o=-5.8!,f=-4.3) USER MOD Single : A 12 LYS NZ :NH3+ 136:sc= -2.15! (180deg=-4.29!) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 129:sc= 1.05 USER MOD Single : A 25 SER OG : rot 80:sc= -3.15! USER MOD Single : A 27 GLN : amide:sc= -1.27 X(o=-1.3,f=-1.6) USER MOD Single : A 33 SER OG : rot 80:sc= -6.98! USER MOD Single : A 34 LYS NZ :NH3+ -164:sc= -1.38 (180deg=-1.95) USER MOD Single : A 35 THR OG1 : rot 64:sc= 0.0636 USER MOD Single : A 38 LYS NZ :NH3+ 134:sc= -3.72! (180deg=-7.9!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00401) USER MOD Single : A 63 TYR OH : rot 0:sc= -0.0603 USER MOD Single : A 67 LYS NZ :NH3+ -174:sc= -2.18 (180deg=-2.3) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 175:sc= -0.388 (180deg=-0.437) USER MOD Single : A 74 SER OG : rot -55:sc= 1.17 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -2.32! C(o=-2.3!,f=-7.4!) USER MOD Single : A 91 TYR OH : rot -120:sc= 0.0921 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 163:sc= 0.456 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot -20:sc= -15.8! USER MOD Single : A 108 LYS NZ :NH3+ 165:sc= -1.51 (180deg=-1.76) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc=-0.00538 X(o=-0.0054,f=0) USER MOD Single : B 1 THR OG1 : rot 180:sc= 0 USER MOD Single : B 4 THR OG1 : rot 180:sc= 0.00725 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.336 -14.649 10.438 1.00 0.00 N ATOM 2 CA GLY A 1 -10.532 -15.376 10.028 1.00 0.00 C ATOM 3 C GLY A 1 -10.276 -16.274 8.816 1.00 0.00 C ATOM 4 O GLY A 1 -9.377 -17.106 8.805 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.557 -14.054 11.262 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.588 -15.326 10.690 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.009 -14.048 9.655 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.888 -15.984 10.860 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.324 -14.665 9.791 1.00 0.00 H new ATOM 10 N SER A 2 -11.129 -16.045 7.801 1.00 0.00 N ATOM 11 CA SER A 2 -10.994 -16.833 6.589 1.00 0.00 C ATOM 12 C SER A 2 -11.079 -15.912 5.370 1.00 0.00 C ATOM 13 O SER A 2 -10.083 -15.393 4.882 1.00 0.00 O ATOM 14 CB SER A 2 -12.090 -17.896 6.546 1.00 0.00 C ATOM 15 OG SER A 2 -11.969 -18.688 5.392 1.00 0.00 O ATOM 0 H SER A 2 -11.879 -15.354 7.802 1.00 0.00 H new ATOM 0 HA SER A 2 -10.026 -17.334 6.578 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.028 -18.526 7.433 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.069 -17.417 6.563 1.00 0.00 H new ATOM 0 HG SER A 2 -12.679 -19.364 5.383 1.00 0.00 H new ATOM 21 N ARG A 3 -12.336 -15.748 4.915 1.00 0.00 N ATOM 22 CA ARG A 3 -12.550 -14.893 3.759 1.00 0.00 C ATOM 23 C ARG A 3 -13.989 -14.382 3.761 1.00 0.00 C ATOM 24 O ARG A 3 -14.920 -15.066 4.168 1.00 0.00 O ATOM 25 CB ARG A 3 -12.266 -15.679 2.481 1.00 0.00 C ATOM 26 CG ARG A 3 -10.824 -15.489 2.012 1.00 0.00 C ATOM 27 CD ARG A 3 -10.582 -16.160 0.660 1.00 0.00 C ATOM 28 NE ARG A 3 -9.357 -15.661 0.061 1.00 0.00 N ATOM 29 CZ ARG A 3 -9.333 -14.396 -0.399 1.00 0.00 C ATOM 30 NH1 ARG A 3 -10.415 -13.628 -0.298 1.00 0.00 N ATOM 31 NH2 ARG A 3 -8.226 -13.914 -0.956 1.00 0.00 N ATOM 0 H ARG A 3 -13.172 -16.176 5.313 1.00 0.00 H new ATOM 0 HA ARG A 3 -11.873 -14.040 3.804 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -12.456 -16.738 2.655 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -12.950 -15.357 1.696 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -10.602 -14.425 1.936 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -10.141 -15.905 2.753 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -10.518 -17.240 0.789 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -11.424 -15.968 -0.005 1.00 0.00 H new ATOM 0 HE ARG A 3 -8.532 -16.256 -0.010 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -11.265 -13.997 0.129 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -10.395 -12.670 -0.647 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -7.397 -14.503 -1.034 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -8.206 -12.956 -1.305 1.00 0.00 H new ATOM 45 N ARG A 4 -14.101 -13.130 3.279 1.00 0.00 N ATOM 46 CA ARG A 4 -15.418 -12.522 3.222 1.00 0.00 C ATOM 47 C ARG A 4 -15.350 -11.246 2.383 1.00 0.00 C ATOM 48 O ARG A 4 -14.458 -11.057 1.565 1.00 0.00 O ATOM 49 CB ARG A 4 -15.900 -12.214 4.638 1.00 0.00 C ATOM 50 CG ARG A 4 -15.113 -11.063 5.267 1.00 0.00 C ATOM 51 CD ARG A 4 -15.399 -10.942 6.763 1.00 0.00 C ATOM 52 NE ARG A 4 -15.286 -9.559 7.188 1.00 0.00 N ATOM 53 CZ ARG A 4 -16.344 -8.745 7.019 1.00 0.00 C ATOM 54 NH1 ARG A 4 -17.461 -9.209 6.464 1.00 0.00 N ATOM 55 NH2 ARG A 4 -16.274 -7.474 7.406 1.00 0.00 N ATOM 0 H ARG A 4 -13.330 -12.554 2.942 1.00 0.00 H new ATOM 0 HA ARG A 4 -16.125 -13.209 2.758 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -16.960 -11.960 4.614 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -15.800 -13.105 5.258 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -14.046 -11.222 5.111 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -15.372 -10.129 4.769 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -16.400 -11.315 6.980 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -14.699 -11.560 7.325 1.00 0.00 H new ATOM 0 HE ARG A 4 -14.423 -9.211 7.606 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -17.516 -10.183 6.166 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -18.262 -8.591 6.337 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -15.418 -7.117 7.831 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -17.076 -6.857 7.278 1.00 0.00 H new ATOM 69 N ALA A 5 -16.352 -10.388 2.646 1.00 0.00 N ATOM 70 CA ALA A 5 -16.402 -9.137 1.914 1.00 0.00 C ATOM 71 C ALA A 5 -16.207 -7.971 2.880 1.00 0.00 C ATOM 72 O ALA A 5 -15.633 -8.108 3.954 1.00 0.00 O ATOM 73 CB ALA A 5 -17.744 -9.023 1.196 1.00 0.00 C ATOM 0 H ALA A 5 -17.097 -10.536 3.327 1.00 0.00 H new ATOM 0 HA ALA A 5 -15.604 -9.110 1.172 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -17.783 -8.083 0.645 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -17.857 -9.856 0.502 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -18.551 -9.049 1.928 1.00 0.00 H new ATOM 79 N SER A 6 -16.727 -6.817 2.424 1.00 0.00 N ATOM 80 CA SER A 6 -16.607 -5.627 3.248 1.00 0.00 C ATOM 81 C SER A 6 -15.136 -5.394 3.587 1.00 0.00 C ATOM 82 O SER A 6 -14.257 -6.160 3.211 1.00 0.00 O ATOM 83 CB SER A 6 -17.430 -5.804 4.521 1.00 0.00 C ATOM 84 OG SER A 6 -17.335 -4.663 5.335 1.00 0.00 O ATOM 0 H SER A 6 -17.209 -6.695 1.533 1.00 0.00 H new ATOM 0 HA SER A 6 -16.985 -4.760 2.707 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.473 -5.987 4.263 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.079 -6.678 5.069 1.00 0.00 H new ATOM 0 HG SER A 6 -17.870 -4.794 6.145 1.00 0.00 H new ATOM 90 N VAL A 7 -14.934 -4.287 4.323 1.00 0.00 N ATOM 91 CA VAL A 7 -13.574 -3.954 4.712 1.00 0.00 C ATOM 92 C VAL A 7 -13.017 -5.062 5.603 1.00 0.00 C ATOM 93 O VAL A 7 -13.281 -5.129 6.797 1.00 0.00 O ATOM 94 CB VAL A 7 -13.564 -2.614 5.443 1.00 0.00 C ATOM 95 CG1 VAL A 7 -14.586 -2.610 6.580 1.00 0.00 C ATOM 96 CG2 VAL A 7 -12.165 -2.316 5.985 1.00 0.00 C ATOM 0 H VAL A 7 -15.659 -3.645 4.641 1.00 0.00 H new ATOM 0 HA VAL A 7 -12.945 -3.868 3.826 1.00 0.00 H new ATOM 0 HB VAL A 7 -13.839 -1.834 4.733 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -14.562 -1.646 7.087 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -15.583 -2.782 6.174 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -14.343 -3.400 7.291 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -12.172 -1.357 6.504 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -11.869 -3.102 6.679 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -11.456 -2.276 5.158 1.00 0.00 H new ATOM 106 N GLY A 8 -12.227 -5.923 4.937 1.00 0.00 N ATOM 107 CA GLY A 8 -11.632 -7.025 5.667 1.00 0.00 C ATOM 108 C GLY A 8 -10.755 -7.881 4.750 1.00 0.00 C ATOM 109 O GLY A 8 -9.668 -8.314 5.114 1.00 0.00 O ATOM 0 H GLY A 8 -12.001 -5.873 3.944 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -11.033 -6.638 6.492 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.417 -7.642 6.105 1.00 0.00 H new ATOM 113 N SER A 9 -11.304 -8.088 3.540 1.00 0.00 N ATOM 114 CA SER A 9 -10.571 -8.888 2.574 1.00 0.00 C ATOM 115 C SER A 9 -9.448 -8.049 1.966 1.00 0.00 C ATOM 116 O SER A 9 -9.598 -6.863 1.701 1.00 0.00 O ATOM 117 CB SER A 9 -11.524 -9.378 1.490 1.00 0.00 C ATOM 118 OG SER A 9 -10.874 -10.284 0.635 1.00 0.00 O ATOM 0 H SER A 9 -12.206 -7.729 3.228 1.00 0.00 H new ATOM 0 HA SER A 9 -10.132 -9.754 3.068 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.389 -9.858 1.948 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.897 -8.530 0.915 1.00 0.00 H new ATOM 0 HG SER A 9 -10.386 -9.789 -0.056 1.00 0.00 H new ATOM 124 N HIS A 10 -8.320 -8.753 1.766 1.00 0.00 N ATOM 125 CA HIS A 10 -7.163 -8.076 1.196 1.00 0.00 C ATOM 126 C HIS A 10 -5.977 -9.039 1.177 1.00 0.00 C ATOM 127 O HIS A 10 -4.999 -8.875 1.893 1.00 0.00 O ATOM 128 CB HIS A 10 -6.827 -6.824 2.016 1.00 0.00 C ATOM 129 CG HIS A 10 -6.678 -7.182 3.481 1.00 0.00 C ATOM 130 ND1 HIS A 10 -6.681 -6.275 4.482 1.00 0.00 N ATOM 131 CD2 HIS A 10 -6.531 -8.461 4.050 1.00 0.00 C ATOM 132 CE1 HIS A 10 -6.542 -6.969 5.624 1.00 0.00 C ATOM 133 NE2 HIS A 10 -6.449 -8.290 5.390 1.00 0.00 N ATOM 0 H HIS A 10 -8.194 -9.742 1.981 1.00 0.00 H new ATOM 0 HA HIS A 10 -7.388 -7.765 0.176 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -5.904 -6.376 1.648 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -7.613 -6.079 1.894 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -6.491 -9.400 3.518 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -6.509 -6.522 6.607 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -6.338 -9.024 6.090 1.00 0.00 H new ATOM 141 N GLU A 11 -6.133 -10.050 0.303 1.00 0.00 N ATOM 142 CA GLU A 11 -5.093 -11.040 0.190 1.00 0.00 C ATOM 143 C GLU A 11 -3.816 -10.407 -0.353 1.00 0.00 C ATOM 144 O GLU A 11 -2.832 -10.244 0.357 1.00 0.00 O ATOM 145 CB GLU A 11 -5.591 -12.147 -0.729 1.00 0.00 C ATOM 146 CG GLU A 11 -5.321 -13.524 -0.136 1.00 0.00 C ATOM 147 CD GLU A 11 -5.556 -14.604 -1.193 1.00 0.00 C ATOM 148 OE1 GLU A 11 -5.296 -14.343 -2.367 1.00 0.00 O ATOM 149 OE2 GLU A 11 -5.997 -15.694 -0.831 1.00 0.00 O ATOM 0 H GLU A 11 -6.941 -10.186 -0.305 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.858 -11.457 1.169 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.661 -12.026 -0.900 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.101 -12.064 -1.699 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.295 -13.577 0.228 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.973 -13.694 0.721 1.00 0.00 H new ATOM 156 N LYS A 12 -3.908 -10.059 -1.653 1.00 0.00 N ATOM 157 CA LYS A 12 -2.760 -9.450 -2.308 1.00 0.00 C ATOM 158 C LYS A 12 -1.466 -10.069 -1.753 1.00 0.00 C ATOM 159 O LYS A 12 -0.523 -9.395 -1.369 1.00 0.00 O ATOM 160 CB LYS A 12 -2.832 -7.954 -2.055 1.00 0.00 C ATOM 161 CG LYS A 12 -3.849 -7.265 -2.974 1.00 0.00 C ATOM 162 CD LYS A 12 -3.422 -7.300 -4.441 1.00 0.00 C ATOM 163 CE LYS A 12 -4.458 -6.633 -5.346 1.00 0.00 C ATOM 164 NZ LYS A 12 -5.105 -7.583 -6.243 1.00 0.00 N ATOM 0 H LYS A 12 -4.733 -10.187 -2.239 1.00 0.00 H new ATOM 0 HA LYS A 12 -2.766 -9.630 -3.383 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.103 -7.775 -1.015 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.847 -7.512 -2.208 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.819 -7.751 -2.868 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.976 -6.229 -2.660 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.462 -6.796 -4.553 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.277 -8.334 -4.754 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.214 -6.145 -4.731 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.974 -5.853 -5.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.129 -7.401 -6.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.717 -7.475 -7.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.932 -8.552 -5.906 1.00 0.00 H new ATOM 178 N MET A 13 -1.521 -11.411 -1.766 1.00 0.00 N ATOM 179 CA MET A 13 -0.419 -12.221 -1.250 1.00 0.00 C ATOM 180 C MET A 13 0.918 -11.465 -1.130 1.00 0.00 C ATOM 181 O MET A 13 1.431 -11.270 -0.035 1.00 0.00 O ATOM 182 CB MET A 13 -0.258 -13.453 -2.135 1.00 0.00 C ATOM 183 CG MET A 13 -0.742 -14.719 -1.427 1.00 0.00 C ATOM 184 SD MET A 13 -0.539 -16.166 -2.478 1.00 0.00 S ATOM 185 CE MET A 13 -2.272 -16.417 -2.895 1.00 0.00 C ATOM 0 H MET A 13 -2.310 -11.948 -2.125 1.00 0.00 H new ATOM 0 HA MET A 13 -0.681 -12.504 -0.230 1.00 0.00 H new ATOM 0 HB2 MET A 13 -0.819 -13.314 -3.059 1.00 0.00 H new ATOM 0 HB3 MET A 13 0.790 -13.568 -2.413 1.00 0.00 H new ATOM 0 HG2 MET A 13 -0.184 -14.857 -0.501 1.00 0.00 H new ATOM 0 HG3 MET A 13 -1.791 -14.608 -1.154 1.00 0.00 H new ATOM 0 HE1 MET A 13 -2.367 -17.282 -3.552 1.00 0.00 H new ATOM 0 HE2 MET A 13 -2.844 -16.589 -1.983 1.00 0.00 H new ATOM 0 HE3 MET A 13 -2.656 -15.532 -3.403 1.00 0.00 H new ATOM 195 N PRO A 14 1.470 -11.048 -2.300 1.00 0.00 N ATOM 196 CA PRO A 14 2.766 -10.389 -2.353 1.00 0.00 C ATOM 197 C PRO A 14 2.706 -8.949 -1.892 1.00 0.00 C ATOM 198 O PRO A 14 3.233 -8.560 -0.858 1.00 0.00 O ATOM 199 CB PRO A 14 3.142 -10.380 -3.833 1.00 0.00 C ATOM 200 CG PRO A 14 1.830 -10.570 -4.598 1.00 0.00 C ATOM 201 CD PRO A 14 0.825 -11.151 -3.600 1.00 0.00 C ATOM 0 HA PRO A 14 3.472 -10.909 -1.705 1.00 0.00 H new ATOM 0 HB2 PRO A 14 3.623 -9.441 -4.109 1.00 0.00 H new ATOM 0 HB3 PRO A 14 3.847 -11.179 -4.062 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.474 -9.621 -4.999 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.969 -11.242 -5.445 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.113 -10.596 -3.619 1.00 0.00 H new ATOM 0 HD3 PRO A 14 0.587 -12.187 -3.840 1.00 0.00 H new ATOM 209 N TRP A 15 2.011 -8.198 -2.749 1.00 0.00 N ATOM 210 CA TRP A 15 1.891 -6.762 -2.493 1.00 0.00 C ATOM 211 C TRP A 15 1.070 -6.471 -1.228 1.00 0.00 C ATOM 212 O TRP A 15 0.677 -5.342 -0.988 1.00 0.00 O ATOM 213 CB TRP A 15 1.284 -6.000 -3.700 1.00 0.00 C ATOM 214 CG TRP A 15 0.404 -6.864 -4.605 1.00 0.00 C ATOM 215 CD1 TRP A 15 -0.308 -8.005 -4.238 1.00 0.00 C ATOM 216 CD2 TRP A 15 0.134 -6.636 -5.992 1.00 0.00 C ATOM 217 NE1 TRP A 15 -0.996 -8.484 -5.315 1.00 0.00 N ATOM 218 CE2 TRP A 15 -0.753 -7.670 -6.423 1.00 0.00 C ATOM 219 CE3 TRP A 15 0.563 -5.663 -6.884 1.00 0.00 C ATOM 220 CZ2 TRP A 15 -1.199 -7.715 -7.737 1.00 0.00 C ATOM 221 CZ3 TRP A 15 0.114 -5.698 -8.229 1.00 0.00 C ATOM 222 CH2 TRP A 15 -0.768 -6.726 -8.656 1.00 0.00 C ATOM 0 H TRP A 15 1.543 -8.539 -3.588 1.00 0.00 H new ATOM 0 HA TRP A 15 2.907 -6.400 -2.337 1.00 0.00 H new ATOM 0 HB2 TRP A 15 0.693 -5.163 -3.328 1.00 0.00 H new ATOM 0 HB3 TRP A 15 2.094 -5.578 -4.295 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -0.314 -8.443 -3.251 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -1.595 -9.309 -5.311 1.00 0.00 H new ATOM 0 HE3 TRP A 15 1.235 -4.884 -6.556 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -1.870 -8.499 -8.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 0.443 -4.943 -8.928 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -1.110 -6.754 -9.680 1.00 0.00 H new ATOM 233 N PHE A 16 0.852 -7.532 -0.427 1.00 0.00 N ATOM 234 CA PHE A 16 0.106 -7.323 0.794 1.00 0.00 C ATOM 235 C PHE A 16 0.543 -8.309 1.867 1.00 0.00 C ATOM 236 O PHE A 16 0.051 -9.427 1.966 1.00 0.00 O ATOM 237 CB PHE A 16 -1.368 -7.481 0.507 1.00 0.00 C ATOM 238 CG PHE A 16 -2.186 -7.142 1.721 1.00 0.00 C ATOM 239 CD1 PHE A 16 -2.591 -5.808 1.973 1.00 0.00 C ATOM 240 CD2 PHE A 16 -2.532 -8.154 2.650 1.00 0.00 C ATOM 241 CE1 PHE A 16 -3.324 -5.490 3.139 1.00 0.00 C ATOM 242 CE2 PHE A 16 -3.266 -7.835 3.815 1.00 0.00 C ATOM 243 CZ PHE A 16 -3.661 -6.504 4.058 1.00 0.00 C ATOM 0 H PHE A 16 1.168 -8.486 -0.602 1.00 0.00 H new ATOM 0 HA PHE A 16 0.300 -6.316 1.163 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.653 -6.833 -0.322 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -1.575 -8.505 0.197 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.338 -5.029 1.269 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.233 -9.176 2.467 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.626 -4.470 3.326 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.524 -8.612 4.520 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.222 -6.261 4.948 1.00 0.00 H new ATOM 253 N HIS A 17 1.495 -7.807 2.660 1.00 0.00 N ATOM 254 CA HIS A 17 1.992 -8.622 3.751 1.00 0.00 C ATOM 255 C HIS A 17 1.638 -7.946 5.073 1.00 0.00 C ATOM 256 O HIS A 17 2.034 -6.821 5.353 1.00 0.00 O ATOM 257 CB HIS A 17 3.500 -8.794 3.628 1.00 0.00 C ATOM 258 CG HIS A 17 3.804 -10.072 2.881 1.00 0.00 C ATOM 259 ND1 HIS A 17 4.526 -11.091 3.396 1.00 0.00 N ATOM 260 CD2 HIS A 17 3.414 -10.426 1.577 1.00 0.00 C ATOM 261 CE1 HIS A 17 4.578 -12.038 2.445 1.00 0.00 C ATOM 262 NE2 HIS A 17 3.914 -11.661 1.337 1.00 0.00 N ATOM 0 H HIS A 17 1.916 -6.882 2.568 1.00 0.00 H new ATOM 0 HA HIS A 17 1.532 -9.610 3.715 1.00 0.00 H new ATOM 0 HB2 HIS A 17 3.932 -7.942 3.103 1.00 0.00 H new ATOM 0 HB3 HIS A 17 3.955 -8.822 4.618 1.00 0.00 H new ATOM 0 HD2 HIS A 17 2.827 -9.827 0.897 1.00 0.00 H new ATOM 0 HE1 HIS A 17 5.089 -12.983 2.556 1.00 0.00 H new ATOM 0 HE2 HIS A 17 3.808 -12.203 0.479 1.00 0.00 H new ATOM 270 N GLY A 18 0.867 -8.712 5.859 1.00 0.00 N ATOM 271 CA GLY A 18 0.445 -8.189 7.147 1.00 0.00 C ATOM 272 C GLY A 18 1.438 -8.555 8.257 1.00 0.00 C ATOM 273 O GLY A 18 1.071 -8.763 9.407 1.00 0.00 O ATOM 0 H GLY A 18 0.540 -9.651 5.633 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.349 -7.105 7.087 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -0.541 -8.583 7.395 1.00 0.00 H new ATOM 277 N LYS A 19 2.713 -8.621 7.831 1.00 0.00 N ATOM 278 CA LYS A 19 3.749 -8.961 8.790 1.00 0.00 C ATOM 279 C LYS A 19 4.820 -7.873 8.795 1.00 0.00 C ATOM 280 O LYS A 19 5.211 -7.353 9.833 1.00 0.00 O ATOM 281 CB LYS A 19 4.366 -10.304 8.413 1.00 0.00 C ATOM 282 CG LYS A 19 5.388 -10.762 9.455 1.00 0.00 C ATOM 283 CD LYS A 19 6.559 -11.499 8.805 1.00 0.00 C ATOM 284 CE LYS A 19 7.607 -11.909 9.840 1.00 0.00 C ATOM 285 NZ LYS A 19 8.811 -12.454 9.224 1.00 0.00 N ATOM 0 H LYS A 19 3.029 -8.451 6.876 1.00 0.00 H new ATOM 0 HA LYS A 19 3.316 -9.034 9.788 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.580 -11.053 8.318 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.849 -10.224 7.439 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.761 -9.898 10.005 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.902 -11.416 10.180 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.191 -12.385 8.288 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.020 -10.859 8.052 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.872 -11.044 10.447 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.178 -12.651 10.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.491 -12.717 9.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.565 -13.296 8.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.237 -11.738 8.602 1.00 0.00 H new ATOM 299 N ILE A 20 5.261 -7.571 7.560 1.00 0.00 N ATOM 300 CA ILE A 20 6.290 -6.551 7.404 1.00 0.00 C ATOM 301 C ILE A 20 6.061 -5.416 8.397 1.00 0.00 C ATOM 302 O ILE A 20 4.960 -5.187 8.884 1.00 0.00 O ATOM 303 CB ILE A 20 6.282 -6.016 5.974 1.00 0.00 C ATOM 304 CG1 ILE A 20 4.868 -6.056 5.385 1.00 0.00 C ATOM 305 CG2 ILE A 20 7.245 -6.822 5.105 1.00 0.00 C ATOM 306 CD1 ILE A 20 4.831 -5.486 3.966 1.00 0.00 C ATOM 0 H ILE A 20 4.933 -8.002 6.696 1.00 0.00 H new ATOM 0 HA ILE A 20 7.264 -6.997 7.606 1.00 0.00 H new ATOM 0 HB ILE A 20 6.612 -4.977 5.993 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.507 -7.085 5.374 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.191 -5.488 6.023 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.231 -6.431 4.087 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.254 -6.743 5.510 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.939 -7.868 5.096 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.812 -5.531 3.582 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.167 -4.449 3.981 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.488 -6.071 3.322 1.00 0.00 H new ATOM 318 N SER A 21 7.185 -4.727 8.660 1.00 0.00 N ATOM 319 CA SER A 21 7.129 -3.624 9.590 1.00 0.00 C ATOM 320 C SER A 21 6.825 -2.330 8.834 1.00 0.00 C ATOM 321 O SER A 21 5.684 -1.916 8.668 1.00 0.00 O ATOM 322 CB SER A 21 8.464 -3.532 10.324 1.00 0.00 C ATOM 323 OG SER A 21 8.620 -4.614 11.208 1.00 0.00 O ATOM 0 H SER A 21 8.101 -4.915 8.253 1.00 0.00 H new ATOM 0 HA SER A 21 6.335 -3.782 10.320 1.00 0.00 H new ATOM 0 HB2 SER A 21 9.281 -3.524 9.603 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.517 -2.594 10.876 1.00 0.00 H new ATOM 0 HG SER A 21 9.487 -5.043 11.051 1.00 0.00 H new ATOM 329 N ARG A 22 7.940 -1.739 8.402 1.00 0.00 N ATOM 330 CA ARG A 22 7.870 -0.496 7.654 1.00 0.00 C ATOM 331 C ARG A 22 9.167 -0.382 6.858 1.00 0.00 C ATOM 332 O ARG A 22 9.191 -0.055 5.676 1.00 0.00 O ATOM 333 CB ARG A 22 7.719 0.679 8.616 1.00 0.00 C ATOM 334 CG ARG A 22 6.402 1.423 8.393 1.00 0.00 C ATOM 335 CD ARG A 22 6.251 2.599 9.358 1.00 0.00 C ATOM 336 NE ARG A 22 6.362 2.140 10.731 1.00 0.00 N ATOM 337 CZ ARG A 22 5.337 1.452 11.267 1.00 0.00 C ATOM 338 NH1 ARG A 22 4.249 1.202 10.543 1.00 0.00 N ATOM 339 NH2 ARG A 22 5.412 1.020 12.523 1.00 0.00 N ATOM 0 H ARG A 22 8.883 -2.097 8.556 1.00 0.00 H new ATOM 0 HA ARG A 22 7.011 -0.484 6.983 1.00 0.00 H new ATOM 0 HB2 ARG A 22 7.764 0.317 9.643 1.00 0.00 H new ATOM 0 HB3 ARG A 22 8.554 1.368 8.484 1.00 0.00 H new ATOM 0 HG2 ARG A 22 6.358 1.786 7.366 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.567 0.734 8.524 1.00 0.00 H new ATOM 0 HD2 ARG A 22 7.017 3.347 9.154 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.286 3.082 9.206 1.00 0.00 H new ATOM 0 HE ARG A 22 7.200 2.335 11.278 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.191 1.532 9.580 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.473 0.680 10.951 1.00 0.00 H new ATOM 0 HH21 ARG A 22 6.246 1.210 13.079 1.00 0.00 H new ATOM 0 HH22 ARG A 22 4.636 0.499 12.930 1.00 0.00 H new ATOM 353 N GLU A 23 10.239 -0.693 7.608 1.00 0.00 N ATOM 354 CA GLU A 23 11.547 -0.691 7.020 1.00 0.00 C ATOM 355 C GLU A 23 11.672 -1.934 6.157 1.00 0.00 C ATOM 356 O GLU A 23 12.148 -1.915 5.032 1.00 0.00 O ATOM 357 CB GLU A 23 12.556 -0.720 8.160 1.00 0.00 C ATOM 358 CG GLU A 23 12.937 -2.135 8.588 1.00 0.00 C ATOM 359 CD GLU A 23 14.054 -2.080 9.633 1.00 0.00 C ATOM 360 OE1 GLU A 23 14.159 -1.071 10.327 1.00 0.00 O ATOM 361 OE2 GLU A 23 14.806 -3.047 9.738 1.00 0.00 O ATOM 0 H GLU A 23 10.207 -0.940 8.597 1.00 0.00 H new ATOM 0 HA GLU A 23 11.722 0.189 6.401 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.455 -0.185 7.855 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.143 -0.187 9.016 1.00 0.00 H new ATOM 0 HG2 GLU A 23 12.067 -2.647 9.000 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.265 -2.710 7.722 1.00 0.00 H new ATOM 368 N GLU A 24 11.195 -3.011 6.792 1.00 0.00 N ATOM 369 CA GLU A 24 11.217 -4.296 6.121 1.00 0.00 C ATOM 370 C GLU A 24 10.625 -4.166 4.710 1.00 0.00 C ATOM 371 O GLU A 24 11.078 -4.796 3.762 1.00 0.00 O ATOM 372 CB GLU A 24 10.416 -5.294 6.948 1.00 0.00 C ATOM 373 CG GLU A 24 11.001 -5.460 8.351 1.00 0.00 C ATOM 374 CD GLU A 24 10.186 -6.489 9.136 1.00 0.00 C ATOM 375 OE1 GLU A 24 9.652 -7.409 8.519 1.00 0.00 O ATOM 376 OE2 GLU A 24 10.093 -6.358 10.356 1.00 0.00 O ATOM 0 H GLU A 24 10.805 -3.013 7.734 1.00 0.00 H new ATOM 0 HA GLU A 24 12.245 -4.647 6.025 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.381 -4.959 7.022 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.403 -6.259 6.442 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.041 -5.780 8.285 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.994 -4.503 8.873 1.00 0.00 H new ATOM 383 N SER A 25 9.597 -3.299 4.638 1.00 0.00 N ATOM 384 CA SER A 25 8.935 -3.099 3.355 1.00 0.00 C ATOM 385 C SER A 25 9.698 -2.096 2.474 1.00 0.00 C ATOM 386 O SER A 25 9.565 -2.090 1.256 1.00 0.00 O ATOM 387 CB SER A 25 7.517 -2.599 3.607 1.00 0.00 C ATOM 388 OG SER A 25 6.892 -3.362 4.606 1.00 0.00 O ATOM 0 H SER A 25 9.228 -2.754 5.417 1.00 0.00 H new ATOM 0 HA SER A 25 8.912 -4.050 2.822 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.543 -1.551 3.906 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.938 -2.653 2.685 1.00 0.00 H new ATOM 0 HG SER A 25 7.195 -3.058 5.487 1.00 0.00 H new ATOM 394 N GLU A 26 10.499 -1.255 3.158 1.00 0.00 N ATOM 395 CA GLU A 26 11.244 -0.257 2.435 1.00 0.00 C ATOM 396 C GLU A 26 12.610 -0.803 1.985 1.00 0.00 C ATOM 397 O GLU A 26 13.251 -0.263 1.091 1.00 0.00 O ATOM 398 CB GLU A 26 11.391 0.940 3.362 1.00 0.00 C ATOM 399 CG GLU A 26 12.753 1.597 3.224 1.00 0.00 C ATOM 400 CD GLU A 26 12.848 2.814 4.147 1.00 0.00 C ATOM 401 OE1 GLU A 26 11.812 3.404 4.449 1.00 0.00 O ATOM 402 OE2 GLU A 26 13.957 3.157 4.553 1.00 0.00 O ATOM 0 H GLU A 26 10.631 -1.259 4.169 1.00 0.00 H new ATOM 0 HA GLU A 26 10.723 0.034 1.523 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.612 1.669 3.140 1.00 0.00 H new ATOM 0 HB3 GLU A 26 11.244 0.621 4.394 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.537 0.881 3.472 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.915 1.902 2.190 1.00 0.00 H new ATOM 409 N GLN A 27 13.007 -1.902 2.651 1.00 0.00 N ATOM 410 CA GLN A 27 14.271 -2.515 2.280 1.00 0.00 C ATOM 411 C GLN A 27 13.990 -3.417 1.086 1.00 0.00 C ATOM 412 O GLN A 27 14.819 -3.631 0.214 1.00 0.00 O ATOM 413 CB GLN A 27 14.841 -3.313 3.451 1.00 0.00 C ATOM 414 CG GLN A 27 13.841 -4.344 3.965 1.00 0.00 C ATOM 415 CD GLN A 27 14.479 -5.175 5.080 1.00 0.00 C ATOM 416 OE1 GLN A 27 15.190 -4.668 5.938 1.00 0.00 O ATOM 417 NE2 GLN A 27 14.173 -6.483 5.002 1.00 0.00 N ATOM 0 H GLN A 27 12.495 -2.356 3.407 1.00 0.00 H new ATOM 0 HA GLN A 27 15.013 -1.760 2.021 1.00 0.00 H new ATOM 0 HB2 GLN A 27 15.756 -3.816 3.138 1.00 0.00 H new ATOM 0 HB3 GLN A 27 15.111 -2.633 4.259 1.00 0.00 H new ATOM 0 HG2 GLN A 27 12.948 -3.843 4.338 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.524 -4.995 3.150 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.571 -6.822 4.252 1.00 0.00 H new ATOM 0 HE22 GLN A 27 14.543 -7.135 5.693 1.00 0.00 H new ATOM 426 N ILE A 28 12.745 -3.921 1.114 1.00 0.00 N ATOM 427 CA ILE A 28 12.307 -4.744 0.044 1.00 0.00 C ATOM 428 C ILE A 28 12.214 -3.890 -1.206 1.00 0.00 C ATOM 429 O ILE A 28 12.574 -4.287 -2.307 1.00 0.00 O ATOM 430 CB ILE A 28 10.943 -5.268 0.442 1.00 0.00 C ATOM 431 CG1 ILE A 28 11.061 -6.471 1.360 1.00 0.00 C ATOM 432 CG2 ILE A 28 10.123 -5.623 -0.779 1.00 0.00 C ATOM 433 CD1 ILE A 28 9.796 -6.632 2.197 1.00 0.00 C ATOM 0 H ILE A 28 12.063 -3.763 1.856 1.00 0.00 H new ATOM 0 HA ILE A 28 12.986 -5.573 -0.156 1.00 0.00 H new ATOM 0 HB ILE A 28 10.433 -4.472 0.985 1.00 0.00 H new ATOM 0 HG12 ILE A 28 11.230 -7.371 0.769 1.00 0.00 H new ATOM 0 HG13 ILE A 28 11.924 -6.353 2.015 1.00 0.00 H new ATOM 0 HG21 ILE A 28 9.148 -5.997 -0.466 1.00 0.00 H new ATOM 0 HG22 ILE A 28 9.990 -4.736 -1.398 1.00 0.00 H new ATOM 0 HG23 ILE A 28 10.639 -6.392 -1.353 1.00 0.00 H new ATOM 0 HD11 ILE A 28 9.899 -7.499 2.849 1.00 0.00 H new ATOM 0 HD12 ILE A 28 9.644 -5.739 2.803 1.00 0.00 H new ATOM 0 HD13 ILE A 28 8.939 -6.773 1.538 1.00 0.00 H new ATOM 445 N VAL A 29 11.677 -2.695 -0.952 1.00 0.00 N ATOM 446 CA VAL A 29 11.565 -1.751 -2.031 1.00 0.00 C ATOM 447 C VAL A 29 12.953 -1.409 -2.549 1.00 0.00 C ATOM 448 O VAL A 29 13.146 -1.070 -3.710 1.00 0.00 O ATOM 449 CB VAL A 29 10.873 -0.497 -1.496 1.00 0.00 C ATOM 450 CG1 VAL A 29 11.370 0.735 -2.235 1.00 0.00 C ATOM 451 CG2 VAL A 29 9.347 -0.608 -1.586 1.00 0.00 C ATOM 0 H VAL A 29 11.331 -2.380 -0.046 1.00 0.00 H new ATOM 0 HA VAL A 29 10.984 -2.171 -2.852 1.00 0.00 H new ATOM 0 HB VAL A 29 11.128 -0.400 -0.441 1.00 0.00 H new ATOM 0 HG11 VAL A 29 10.869 1.621 -1.844 1.00 0.00 H new ATOM 0 HG12 VAL A 29 12.446 0.835 -2.094 1.00 0.00 H new ATOM 0 HG13 VAL A 29 11.152 0.634 -3.298 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.892 0.303 -1.196 1.00 0.00 H new ATOM 0 HG22 VAL A 29 9.053 -0.744 -2.627 1.00 0.00 H new ATOM 0 HG23 VAL A 29 9.009 -1.462 -0.999 1.00 0.00 H new ATOM 461 N LEU A 30 13.896 -1.518 -1.617 1.00 0.00 N ATOM 462 CA LEU A 30 15.239 -1.244 -1.977 1.00 0.00 C ATOM 463 C LEU A 30 15.636 -2.225 -3.078 1.00 0.00 C ATOM 464 O LEU A 30 16.380 -1.915 -4.000 1.00 0.00 O ATOM 465 CB LEU A 30 16.052 -1.443 -0.704 1.00 0.00 C ATOM 466 CG LEU A 30 16.931 -2.683 -0.747 1.00 0.00 C ATOM 467 CD1 LEU A 30 18.222 -2.403 -1.499 1.00 0.00 C ATOM 468 CD2 LEU A 30 17.232 -3.169 0.654 1.00 0.00 C ATOM 0 H LEU A 30 13.741 -1.786 -0.645 1.00 0.00 H new ATOM 0 HA LEU A 30 15.400 -0.237 -2.361 1.00 0.00 H new ATOM 0 HB2 LEU A 30 16.678 -0.566 -0.539 1.00 0.00 H new ATOM 0 HB3 LEU A 30 15.374 -1.515 0.146 1.00 0.00 H new ATOM 0 HG LEU A 30 16.389 -3.466 -1.277 1.00 0.00 H new ATOM 0 HD11 LEU A 30 18.835 -3.304 -1.517 1.00 0.00 H new ATOM 0 HD12 LEU A 30 17.990 -2.101 -2.520 1.00 0.00 H new ATOM 0 HD13 LEU A 30 18.768 -1.603 -0.999 1.00 0.00 H new ATOM 0 HD21 LEU A 30 17.862 -4.057 0.604 1.00 0.00 H new ATOM 0 HD22 LEU A 30 17.752 -2.386 1.207 1.00 0.00 H new ATOM 0 HD23 LEU A 30 16.299 -3.414 1.162 1.00 0.00 H new ATOM 480 N ILE A 31 15.066 -3.435 -2.898 1.00 0.00 N ATOM 481 CA ILE A 31 15.332 -4.478 -3.838 1.00 0.00 C ATOM 482 C ILE A 31 14.724 -4.119 -5.167 1.00 0.00 C ATOM 483 O ILE A 31 15.388 -3.865 -6.164 1.00 0.00 O ATOM 484 CB ILE A 31 14.682 -5.786 -3.391 1.00 0.00 C ATOM 485 CG1 ILE A 31 14.466 -5.883 -1.892 1.00 0.00 C ATOM 486 CG2 ILE A 31 15.496 -6.940 -3.881 1.00 0.00 C ATOM 487 CD1 ILE A 31 15.570 -6.685 -1.201 1.00 0.00 C ATOM 0 H ILE A 31 14.443 -3.683 -2.129 1.00 0.00 H new ATOM 0 HA ILE A 31 16.413 -4.597 -3.910 1.00 0.00 H new ATOM 0 HB ILE A 31 13.686 -5.811 -3.833 1.00 0.00 H new ATOM 0 HG12 ILE A 31 14.427 -4.880 -1.466 1.00 0.00 H new ATOM 0 HG13 ILE A 31 13.501 -6.351 -1.695 1.00 0.00 H new ATOM 0 HG21 ILE A 31 15.032 -7.874 -3.562 1.00 0.00 H new ATOM 0 HG22 ILE A 31 15.547 -6.913 -4.969 1.00 0.00 H new ATOM 0 HG23 ILE A 31 16.503 -6.876 -3.469 1.00 0.00 H new ATOM 0 HD11 ILE A 31 15.373 -6.727 -0.130 1.00 0.00 H new ATOM 0 HD12 ILE A 31 15.593 -7.697 -1.606 1.00 0.00 H new ATOM 0 HD13 ILE A 31 16.532 -6.203 -1.374 1.00 0.00 H new ATOM 499 N GLY A 32 13.390 -4.128 -5.083 1.00 0.00 N ATOM 500 CA GLY A 32 12.621 -3.881 -6.274 1.00 0.00 C ATOM 501 C GLY A 32 12.158 -2.429 -6.394 1.00 0.00 C ATOM 502 O GLY A 32 11.776 -1.791 -5.424 1.00 0.00 O ATOM 0 H GLY A 32 12.851 -4.298 -4.234 1.00 0.00 H new ATOM 0 HA2 GLY A 32 13.220 -4.139 -7.147 1.00 0.00 H new ATOM 0 HA3 GLY A 32 11.750 -4.536 -6.280 1.00 0.00 H new ATOM 506 N SER A 33 12.227 -1.986 -7.673 1.00 0.00 N ATOM 507 CA SER A 33 11.827 -0.623 -8.021 1.00 0.00 C ATOM 508 C SER A 33 12.850 -0.070 -9.025 1.00 0.00 C ATOM 509 O SER A 33 13.057 -0.642 -10.086 1.00 0.00 O ATOM 510 CB SER A 33 11.723 0.255 -6.774 1.00 0.00 C ATOM 511 OG SER A 33 11.519 1.598 -7.131 1.00 0.00 O ATOM 0 H SER A 33 12.551 -2.549 -8.459 1.00 0.00 H new ATOM 0 HA SER A 33 10.836 -0.626 -8.476 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.900 -0.089 -6.148 1.00 0.00 H new ATOM 0 HB3 SER A 33 12.634 0.165 -6.182 1.00 0.00 H new ATOM 0 HG SER A 33 10.575 1.738 -7.353 1.00 0.00 H new ATOM 517 N LYS A 34 13.464 1.066 -8.621 1.00 0.00 N ATOM 518 CA LYS A 34 14.471 1.678 -9.485 1.00 0.00 C ATOM 519 C LYS A 34 13.822 2.416 -10.639 1.00 0.00 C ATOM 520 O LYS A 34 14.178 3.537 -10.981 1.00 0.00 O ATOM 521 CB LYS A 34 15.383 0.597 -10.059 1.00 0.00 C ATOM 522 CG LYS A 34 15.880 -0.348 -8.971 1.00 0.00 C ATOM 523 CD LYS A 34 17.306 -0.827 -9.245 1.00 0.00 C ATOM 524 CE LYS A 34 18.345 0.189 -8.764 1.00 0.00 C ATOM 525 NZ LYS A 34 18.293 1.438 -9.515 1.00 0.00 N ATOM 0 H LYS A 34 13.284 1.551 -7.742 1.00 0.00 H new ATOM 0 HA LYS A 34 15.044 2.384 -8.883 1.00 0.00 H new ATOM 0 HB2 LYS A 34 14.844 0.029 -10.817 1.00 0.00 H new ATOM 0 HB3 LYS A 34 16.234 1.063 -10.555 1.00 0.00 H new ATOM 0 HG2 LYS A 34 15.845 0.158 -8.006 1.00 0.00 H new ATOM 0 HG3 LYS A 34 15.214 -1.208 -8.904 1.00 0.00 H new ATOM 0 HD2 LYS A 34 17.472 -1.782 -8.746 1.00 0.00 H new ATOM 0 HD3 LYS A 34 17.433 -1.000 -10.314 1.00 0.00 H new ATOM 0 HE2 LYS A 34 18.182 0.397 -7.707 1.00 0.00 H new ATOM 0 HE3 LYS A 34 19.341 -0.244 -8.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 19.166 1.979 -9.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 18.202 1.229 -10.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 17.474 1.997 -9.202 1.00 0.00 H new ATOM 539 N THR A 35 12.853 1.703 -11.212 1.00 0.00 N ATOM 540 CA THR A 35 12.188 2.233 -12.369 1.00 0.00 C ATOM 541 C THR A 35 10.976 3.098 -12.025 1.00 0.00 C ATOM 542 O THR A 35 10.297 3.635 -12.891 1.00 0.00 O ATOM 543 CB THR A 35 11.768 1.046 -13.199 1.00 0.00 C ATOM 544 OG1 THR A 35 11.692 -0.104 -12.388 1.00 0.00 O ATOM 545 CG2 THR A 35 12.743 0.803 -14.345 1.00 0.00 C ATOM 0 H THR A 35 12.529 0.789 -10.897 1.00 0.00 H new ATOM 0 HA THR A 35 12.869 2.893 -12.907 1.00 0.00 H new ATOM 0 HB THR A 35 10.787 1.260 -13.623 1.00 0.00 H new ATOM 0 HG1 THR A 35 10.991 0.017 -11.714 1.00 0.00 H new ATOM 0 HG21 THR A 35 12.414 -0.059 -14.926 1.00 0.00 H new ATOM 0 HG22 THR A 35 12.776 1.683 -14.988 1.00 0.00 H new ATOM 0 HG23 THR A 35 13.737 0.611 -13.942 1.00 0.00 H new ATOM 553 N ASN A 36 10.758 3.177 -10.724 1.00 0.00 N ATOM 554 CA ASN A 36 9.647 3.972 -10.239 1.00 0.00 C ATOM 555 C ASN A 36 8.341 3.313 -10.674 1.00 0.00 C ATOM 556 O ASN A 36 7.970 3.302 -11.841 1.00 0.00 O ATOM 557 CB ASN A 36 9.768 5.406 -10.775 1.00 0.00 C ATOM 558 CG ASN A 36 8.383 6.032 -10.973 1.00 0.00 C ATOM 559 OD1 ASN A 36 7.830 6.674 -10.089 1.00 0.00 O ATOM 560 ND2 ASN A 36 7.871 5.797 -12.195 1.00 0.00 N ATOM 0 H ASN A 36 11.316 2.716 -10.005 1.00 0.00 H new ATOM 0 HA ASN A 36 9.659 4.024 -9.150 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.349 6.011 -10.079 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.308 5.401 -11.722 1.00 0.00 H new ATOM 0 HD21 ASN A 36 6.953 6.166 -12.443 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.401 5.250 -12.874 1.00 0.00 H new ATOM 567 N GLY A 37 7.686 2.760 -9.646 1.00 0.00 N ATOM 568 CA GLY A 37 6.421 2.096 -9.898 1.00 0.00 C ATOM 569 C GLY A 37 6.188 0.929 -8.935 1.00 0.00 C ATOM 570 O GLY A 37 5.086 0.411 -8.822 1.00 0.00 O ATOM 0 H GLY A 37 8.000 2.761 -8.676 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.608 2.815 -9.801 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.401 1.729 -10.924 1.00 0.00 H new ATOM 574 N LYS A 38 7.281 0.544 -8.245 1.00 0.00 N ATOM 575 CA LYS A 38 7.120 -0.553 -7.322 1.00 0.00 C ATOM 576 C LYS A 38 6.353 -0.041 -6.128 1.00 0.00 C ATOM 577 O LYS A 38 6.433 1.121 -5.755 1.00 0.00 O ATOM 578 CB LYS A 38 8.470 -1.097 -6.878 1.00 0.00 C ATOM 579 CG LYS A 38 8.330 -2.435 -6.147 1.00 0.00 C ATOM 580 CD LYS A 38 8.204 -3.611 -7.114 1.00 0.00 C ATOM 581 CE LYS A 38 9.387 -3.692 -8.080 1.00 0.00 C ATOM 582 NZ LYS A 38 9.161 -2.946 -9.312 1.00 0.00 N ATOM 0 H LYS A 38 8.213 0.953 -8.311 1.00 0.00 H new ATOM 0 HA LYS A 38 6.582 -1.367 -7.808 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.115 -1.223 -7.748 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.956 -0.374 -6.223 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.196 -2.588 -5.503 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.453 -2.403 -5.500 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.135 -4.540 -6.547 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.279 -3.515 -7.682 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.280 -3.308 -7.587 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.581 -4.737 -8.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.004 -2.379 -9.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.975 -3.610 -10.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.342 -2.316 -9.191 1.00 0.00 H new ATOM 596 N PHE A 39 5.613 -0.981 -5.559 1.00 0.00 N ATOM 597 CA PHE A 39 4.815 -0.591 -4.408 1.00 0.00 C ATOM 598 C PHE A 39 4.380 -1.813 -3.599 1.00 0.00 C ATOM 599 O PHE A 39 4.486 -2.948 -4.033 1.00 0.00 O ATOM 600 CB PHE A 39 3.589 0.186 -4.894 1.00 0.00 C ATOM 601 CG PHE A 39 2.546 -0.731 -5.472 1.00 0.00 C ATOM 602 CD1 PHE A 39 2.687 -1.250 -6.781 1.00 0.00 C ATOM 603 CD2 PHE A 39 1.414 -1.088 -4.702 1.00 0.00 C ATOM 604 CE1 PHE A 39 1.704 -2.116 -7.314 1.00 0.00 C ATOM 605 CE2 PHE A 39 0.432 -1.953 -5.232 1.00 0.00 C ATOM 606 CZ PHE A 39 0.577 -2.467 -6.539 1.00 0.00 C ATOM 0 H PHE A 39 5.547 -1.956 -5.850 1.00 0.00 H new ATOM 0 HA PHE A 39 5.419 0.039 -3.755 1.00 0.00 H new ATOM 0 HB2 PHE A 39 3.161 0.748 -4.064 1.00 0.00 H new ATOM 0 HB3 PHE A 39 3.893 0.913 -5.647 1.00 0.00 H new ATOM 0 HD1 PHE A 39 3.549 -0.984 -7.375 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.300 -0.696 -3.702 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.815 -2.509 -8.314 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -0.429 -2.221 -4.638 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.174 -3.128 -6.946 1.00 0.00 H new ATOM 616 N LEU A 40 3.852 -1.484 -2.407 1.00 0.00 N ATOM 617 CA LEU A 40 3.361 -2.542 -1.545 1.00 0.00 C ATOM 618 C LEU A 40 2.488 -1.935 -0.452 1.00 0.00 C ATOM 619 O LEU A 40 2.811 -0.915 0.144 1.00 0.00 O ATOM 620 CB LEU A 40 4.536 -3.291 -0.935 1.00 0.00 C ATOM 621 CG LEU A 40 5.304 -2.415 0.055 1.00 0.00 C ATOM 622 CD1 LEU A 40 4.771 -2.608 1.474 1.00 0.00 C ATOM 623 CD2 LEU A 40 6.797 -2.736 0.005 1.00 0.00 C ATOM 0 H LEU A 40 3.762 -0.536 -2.042 1.00 0.00 H new ATOM 0 HA LEU A 40 2.764 -3.246 -2.125 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.175 -4.185 -0.427 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.208 -3.623 -1.726 1.00 0.00 H new ATOM 0 HG LEU A 40 5.160 -1.373 -0.230 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.331 -1.975 2.162 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.716 -2.335 1.507 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.884 -3.652 1.766 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.329 -2.104 0.716 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.953 -3.783 0.264 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.176 -2.550 -1.000 1.00 0.00 H new ATOM 635 N ILE A 41 1.361 -2.632 -0.235 1.00 0.00 N ATOM 636 CA ILE A 41 0.444 -2.166 0.787 1.00 0.00 C ATOM 637 C ILE A 41 0.676 -2.970 2.065 1.00 0.00 C ATOM 638 O ILE A 41 1.139 -4.104 2.043 1.00 0.00 O ATOM 639 CB ILE A 41 -0.990 -2.335 0.293 1.00 0.00 C ATOM 640 CG1 ILE A 41 -1.987 -2.097 1.427 1.00 0.00 C ATOM 641 CG2 ILE A 41 -1.179 -3.729 -0.282 1.00 0.00 C ATOM 642 CD1 ILE A 41 -1.941 -0.650 1.922 1.00 0.00 C ATOM 0 H ILE A 41 1.082 -3.478 -0.732 1.00 0.00 H new ATOM 0 HA ILE A 41 0.615 -1.110 0.998 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.175 -1.596 -0.487 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.994 -2.333 1.083 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.767 -2.772 2.254 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.205 -3.842 -0.632 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.493 -3.875 -1.116 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.975 -4.472 0.490 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.663 -0.518 2.728 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.941 -0.423 2.290 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.187 0.023 1.101 1.00 0.00 H new ATOM 654 N ARG A 42 0.324 -2.301 3.173 1.00 0.00 N ATOM 655 CA ARG A 42 0.495 -2.946 4.463 1.00 0.00 C ATOM 656 C ARG A 42 -0.657 -2.550 5.384 1.00 0.00 C ATOM 657 O ARG A 42 -1.078 -1.401 5.437 1.00 0.00 O ATOM 658 CB ARG A 42 1.833 -2.527 5.068 1.00 0.00 C ATOM 659 CG ARG A 42 1.922 -2.902 6.547 1.00 0.00 C ATOM 660 CD ARG A 42 3.291 -2.555 7.132 1.00 0.00 C ATOM 661 NE ARG A 42 3.334 -2.887 8.544 1.00 0.00 N ATOM 662 CZ ARG A 42 2.687 -2.091 9.416 1.00 0.00 C ATOM 663 NH1 ARG A 42 2.028 -1.020 8.980 1.00 0.00 N ATOM 664 NH2 ARG A 42 2.706 -2.376 10.715 1.00 0.00 N ATOM 0 H ARG A 42 -0.063 -1.357 3.196 1.00 0.00 H new ATOM 0 HA ARG A 42 0.490 -4.029 4.340 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.646 -3.005 4.521 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.963 -1.451 4.956 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.144 -2.379 7.103 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.735 -3.969 6.665 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.070 -3.100 6.599 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.494 -1.493 6.995 1.00 0.00 H new ATOM 0 HE ARG A 42 3.845 -3.708 8.870 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.013 -0.801 7.984 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.538 -0.418 9.642 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.210 -3.197 11.050 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.216 -1.774 11.377 1.00 0.00 H new ATOM 678 N ALA A 43 -1.135 -3.583 6.102 1.00 0.00 N ATOM 679 CA ALA A 43 -2.236 -3.338 7.016 1.00 0.00 C ATOM 680 C ALA A 43 -1.939 -3.991 8.365 1.00 0.00 C ATOM 681 O ALA A 43 -1.304 -5.035 8.455 1.00 0.00 O ATOM 682 CB ALA A 43 -3.524 -3.901 6.421 1.00 0.00 C ATOM 0 H ALA A 43 -0.791 -4.542 6.065 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.357 -2.265 7.168 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.352 -3.718 7.106 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.728 -3.414 5.467 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.414 -4.974 6.264 1.00 0.00 H new ATOM 688 N ARG A 44 -2.441 -3.298 9.402 1.00 0.00 N ATOM 689 CA ARG A 44 -2.235 -3.808 10.746 1.00 0.00 C ATOM 690 C ARG A 44 -3.542 -3.701 11.531 1.00 0.00 C ATOM 691 O ARG A 44 -4.503 -3.072 11.104 1.00 0.00 O ATOM 692 CB ARG A 44 -1.125 -3.008 11.430 1.00 0.00 C ATOM 693 CG ARG A 44 -0.838 -3.530 12.839 1.00 0.00 C ATOM 694 CD ARG A 44 0.503 -3.019 13.366 1.00 0.00 C ATOM 695 NE ARG A 44 0.850 -3.702 14.599 1.00 0.00 N ATOM 696 CZ ARG A 44 1.223 -4.994 14.538 1.00 0.00 C ATOM 697 NH1 ARG A 44 1.266 -5.622 13.365 1.00 0.00 N ATOM 698 NH2 ARG A 44 1.547 -5.646 15.652 1.00 0.00 N ATOM 0 H ARG A 44 -2.966 -2.426 9.333 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.934 -4.855 10.707 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.216 -3.060 10.830 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.412 -1.958 11.482 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.637 -3.219 13.513 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.835 -4.620 12.830 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.281 -3.182 12.620 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.448 -1.944 13.540 1.00 0.00 H new ATOM 0 HE ARG A 44 0.812 -3.213 15.493 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.016 -5.124 12.511 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.549 -6.601 13.321 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.513 -5.167 16.552 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.830 -6.625 15.606 1.00 0.00 H new ATOM 712 N ASP A 45 -3.510 -4.366 12.700 1.00 0.00 N ATOM 713 CA ASP A 45 -4.689 -4.345 13.548 1.00 0.00 C ATOM 714 C ASP A 45 -5.109 -2.896 13.800 1.00 0.00 C ATOM 715 O ASP A 45 -4.667 -1.972 13.131 1.00 0.00 O ATOM 716 CB ASP A 45 -4.375 -5.055 14.865 1.00 0.00 C ATOM 717 CG ASP A 45 -5.674 -5.423 15.583 1.00 0.00 C ATOM 718 OD1 ASP A 45 -6.710 -5.491 14.924 1.00 0.00 O ATOM 719 OD2 ASP A 45 -5.635 -5.636 16.794 1.00 0.00 O ATOM 0 H ASP A 45 -2.716 -4.897 13.057 1.00 0.00 H new ATOM 0 HA ASP A 45 -5.512 -4.864 13.058 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.789 -5.954 14.673 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -3.769 -4.409 15.500 1.00 0.00 H new ATOM 724 N ASN A 46 -5.990 -2.769 14.811 1.00 0.00 N ATOM 725 CA ASN A 46 -6.474 -1.442 15.158 1.00 0.00 C ATOM 726 C ASN A 46 -7.485 -0.976 14.112 1.00 0.00 C ATOM 727 O ASN A 46 -7.746 -1.646 13.120 1.00 0.00 O ATOM 728 CB ASN A 46 -5.299 -0.469 15.242 1.00 0.00 C ATOM 729 CG ASN A 46 -5.724 0.794 15.993 1.00 0.00 C ATOM 730 OD1 ASN A 46 -6.735 0.827 16.684 1.00 0.00 O ATOM 731 ND2 ASN A 46 -4.881 1.825 15.805 1.00 0.00 N ATOM 0 H ASN A 46 -6.360 -3.536 15.372 1.00 0.00 H new ATOM 0 HA ASN A 46 -6.966 -1.475 16.130 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -4.460 -0.941 15.752 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -4.958 -0.210 14.240 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -5.063 2.722 16.256 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -4.060 1.710 15.211 1.00 0.00 H new ATOM 738 N ASN A 47 -8.033 0.217 14.406 1.00 0.00 N ATOM 739 CA ASN A 47 -9.016 0.776 13.495 1.00 0.00 C ATOM 740 C ASN A 47 -8.527 0.621 12.054 1.00 0.00 C ATOM 741 O ASN A 47 -8.779 -0.379 11.392 1.00 0.00 O ATOM 742 CB ASN A 47 -9.244 2.248 13.837 1.00 0.00 C ATOM 743 CG ASN A 47 -9.645 2.382 15.308 1.00 0.00 C ATOM 744 OD1 ASN A 47 -8.815 2.368 16.209 1.00 0.00 O ATOM 745 ND2 ASN A 47 -10.973 2.512 15.481 1.00 0.00 N ATOM 0 H ASN A 47 -7.818 0.781 15.229 1.00 0.00 H new ATOM 0 HA ASN A 47 -9.962 0.244 13.597 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -8.337 2.820 13.644 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -10.024 2.663 13.199 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -11.358 2.609 16.421 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.595 2.514 14.673 1.00 0.00 H new ATOM 752 N GLY A 48 -7.815 1.676 11.617 1.00 0.00 N ATOM 753 CA GLY A 48 -7.296 1.648 10.264 1.00 0.00 C ATOM 754 C GLY A 48 -5.971 2.407 10.166 1.00 0.00 C ATOM 755 O GLY A 48 -5.922 3.631 10.191 1.00 0.00 O ATOM 0 H GLY A 48 -7.601 2.513 12.159 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -7.151 0.615 9.948 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.023 2.090 9.583 1.00 0.00 H new ATOM 759 N SER A 49 -4.908 1.592 10.052 1.00 0.00 N ATOM 760 CA SER A 49 -3.586 2.184 9.947 1.00 0.00 C ATOM 761 C SER A 49 -2.834 1.533 8.788 1.00 0.00 C ATOM 762 O SER A 49 -1.703 1.080 8.921 1.00 0.00 O ATOM 763 CB SER A 49 -2.831 1.985 11.259 1.00 0.00 C ATOM 764 OG SER A 49 -2.686 0.617 11.545 1.00 0.00 O ATOM 0 H SER A 49 -4.942 0.573 10.032 1.00 0.00 H new ATOM 0 HA SER A 49 -3.671 3.254 9.755 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.849 2.454 11.194 1.00 0.00 H new ATOM 0 HB3 SER A 49 -3.367 2.477 12.071 1.00 0.00 H new ATOM 0 HG SER A 49 -2.198 0.509 12.388 1.00 0.00 H new ATOM 770 N TYR A 50 -3.545 1.521 7.647 1.00 0.00 N ATOM 771 CA TYR A 50 -2.950 0.926 6.458 1.00 0.00 C ATOM 772 C TYR A 50 -2.189 2.016 5.704 1.00 0.00 C ATOM 773 O TYR A 50 -2.626 3.155 5.621 1.00 0.00 O ATOM 774 CB TYR A 50 -4.044 0.324 5.561 1.00 0.00 C ATOM 775 CG TYR A 50 -5.037 -0.501 6.341 1.00 0.00 C ATOM 776 CD1 TYR A 50 -4.660 -1.132 7.553 1.00 0.00 C ATOM 777 CD2 TYR A 50 -6.367 -0.643 5.873 1.00 0.00 C ATOM 778 CE1 TYR A 50 -5.600 -1.892 8.287 1.00 0.00 C ATOM 779 CE2 TYR A 50 -7.306 -1.404 6.607 1.00 0.00 C ATOM 780 CZ TYR A 50 -6.923 -2.027 7.813 1.00 0.00 C ATOM 781 OH TYR A 50 -7.841 -2.766 8.531 1.00 0.00 O ATOM 0 H TYR A 50 -4.486 1.899 7.532 1.00 0.00 H new ATOM 0 HA TYR A 50 -2.268 0.125 6.744 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.569 1.127 5.044 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.581 -0.298 4.795 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -3.649 -1.032 7.918 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -6.665 -0.167 4.950 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -5.306 -2.369 9.210 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -8.318 -1.508 6.244 1.00 0.00 H new ATOM 0 HH TYR A 50 -8.704 -2.757 8.066 1.00 0.00 H new ATOM 791 N ALA A 51 -1.026 1.601 5.164 1.00 0.00 N ATOM 792 CA ALA A 51 -0.237 2.581 4.435 1.00 0.00 C ATOM 793 C ALA A 51 0.384 1.956 3.185 1.00 0.00 C ATOM 794 O ALA A 51 0.882 0.836 3.190 1.00 0.00 O ATOM 795 CB ALA A 51 0.848 3.147 5.348 1.00 0.00 C ATOM 0 H ALA A 51 -0.641 0.658 5.217 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.891 3.392 4.114 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.438 3.881 4.800 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.384 3.625 6.211 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.497 2.339 5.686 1.00 0.00 H new ATOM 801 N LEU A 52 0.307 2.774 2.119 1.00 0.00 N ATOM 802 CA LEU A 52 0.861 2.344 0.840 1.00 0.00 C ATOM 803 C LEU A 52 2.320 2.803 0.726 1.00 0.00 C ATOM 804 O LEU A 52 2.654 3.951 0.980 1.00 0.00 O ATOM 805 CB LEU A 52 0.006 2.944 -0.278 1.00 0.00 C ATOM 806 CG LEU A 52 0.825 3.380 -1.498 1.00 0.00 C ATOM 807 CD1 LEU A 52 1.407 2.163 -2.224 1.00 0.00 C ATOM 808 CD2 LEU A 52 -0.068 4.166 -2.448 1.00 0.00 C ATOM 0 H LEU A 52 -0.118 3.701 2.122 1.00 0.00 H new ATOM 0 HA LEU A 52 0.847 1.257 0.761 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.737 2.211 -0.591 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.539 3.804 0.112 1.00 0.00 H new ATOM 0 HG LEU A 52 1.651 4.007 -1.162 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.984 2.496 -3.087 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.056 1.610 -1.545 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.596 1.516 -2.558 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.511 4.478 -3.317 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.898 3.537 -2.771 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.458 5.046 -1.937 1.00 0.00 H new ATOM 820 N CYS A 53 3.158 1.833 0.310 1.00 0.00 N ATOM 821 CA CYS A 53 4.575 2.151 0.171 1.00 0.00 C ATOM 822 C CYS A 53 5.054 1.857 -1.249 1.00 0.00 C ATOM 823 O CYS A 53 4.943 0.747 -1.750 1.00 0.00 O ATOM 824 CB CYS A 53 5.387 1.318 1.161 1.00 0.00 C ATOM 825 SG CYS A 53 7.124 1.814 1.237 1.00 0.00 S ATOM 0 H CYS A 53 2.891 0.876 0.078 1.00 0.00 H new ATOM 0 HA CYS A 53 4.715 3.212 0.378 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.945 1.408 2.153 1.00 0.00 H new ATOM 0 HB3 CYS A 53 5.326 0.267 0.879 1.00 0.00 H new ATOM 0 HG CYS A 53 7.231 3.069 0.915 1.00 0.00 H new ATOM 831 N LEU A 54 5.603 2.924 -1.854 1.00 0.00 N ATOM 832 CA LEU A 54 6.137 2.757 -3.201 1.00 0.00 C ATOM 833 C LEU A 54 7.394 3.615 -3.343 1.00 0.00 C ATOM 834 O LEU A 54 7.635 4.532 -2.569 1.00 0.00 O ATOM 835 CB LEU A 54 5.079 3.085 -4.265 1.00 0.00 C ATOM 836 CG LEU A 54 4.470 4.485 -4.130 1.00 0.00 C ATOM 837 CD1 LEU A 54 3.661 4.607 -2.842 1.00 0.00 C ATOM 838 CD2 LEU A 54 5.550 5.567 -4.196 1.00 0.00 C ATOM 0 H LEU A 54 5.684 3.859 -1.454 1.00 0.00 H new ATOM 0 HA LEU A 54 6.410 1.714 -3.363 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.531 2.990 -5.253 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.280 2.346 -4.208 1.00 0.00 H new ATOM 0 HG LEU A 54 3.794 4.634 -4.972 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.240 5.610 -2.771 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.854 3.874 -2.848 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.310 4.424 -1.986 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.088 6.549 -4.097 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.263 5.419 -3.385 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.069 5.505 -5.152 1.00 0.00 H new ATOM 850 N LEU A 55 8.197 3.241 -4.360 1.00 0.00 N ATOM 851 CA LEU A 55 9.438 3.987 -4.548 1.00 0.00 C ATOM 852 C LEU A 55 9.420 4.756 -5.864 1.00 0.00 C ATOM 853 O LEU A 55 8.963 4.275 -6.894 1.00 0.00 O ATOM 854 CB LEU A 55 10.613 3.018 -4.512 1.00 0.00 C ATOM 855 CG LEU A 55 11.960 3.747 -4.567 1.00 0.00 C ATOM 856 CD1 LEU A 55 12.648 3.751 -3.209 1.00 0.00 C ATOM 857 CD2 LEU A 55 12.878 3.080 -5.576 1.00 0.00 C ATOM 0 H LEU A 55 8.021 2.481 -5.017 1.00 0.00 H new ATOM 0 HA LEU A 55 9.540 4.715 -3.743 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.562 2.419 -3.603 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.540 2.328 -5.352 1.00 0.00 H new ATOM 0 HG LEU A 55 11.760 4.776 -4.864 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.600 4.276 -3.285 1.00 0.00 H new ATOM 0 HD12 LEU A 55 12.013 4.255 -2.481 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.824 2.725 -2.888 1.00 0.00 H new ATOM 0 HD21 LEU A 55 13.831 3.608 -5.605 1.00 0.00 H new ATOM 0 HD22 LEU A 55 13.046 2.043 -5.285 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.417 3.110 -6.563 1.00 0.00 H new ATOM 869 N HIS A 56 9.955 5.988 -5.750 1.00 0.00 N ATOM 870 CA HIS A 56 10.010 6.834 -6.928 1.00 0.00 C ATOM 871 C HIS A 56 11.456 6.987 -7.431 1.00 0.00 C ATOM 872 O HIS A 56 12.157 7.934 -7.102 1.00 0.00 O ATOM 873 CB HIS A 56 9.420 8.201 -6.585 1.00 0.00 C ATOM 874 CG HIS A 56 9.479 9.095 -7.802 1.00 0.00 C ATOM 875 ND1 HIS A 56 9.222 8.675 -9.059 1.00 0.00 N ATOM 876 CD2 HIS A 56 9.801 10.464 -7.855 1.00 0.00 C ATOM 877 CE1 HIS A 56 9.380 9.744 -9.857 1.00 0.00 C ATOM 878 NE2 HIS A 56 9.729 10.836 -9.154 1.00 0.00 N ATOM 0 H HIS A 56 10.334 6.392 -4.894 1.00 0.00 H new ATOM 0 HA HIS A 56 9.430 6.371 -7.726 1.00 0.00 H new ATOM 0 HB2 HIS A 56 8.388 8.090 -6.252 1.00 0.00 H new ATOM 0 HB3 HIS A 56 9.974 8.652 -5.762 1.00 0.00 H new ATOM 0 HD1 HIS A 56 8.960 7.732 -9.346 1.00 0.00 H new ATOM 0 HD2 HIS A 56 10.057 11.097 -7.018 1.00 0.00 H new ATOM 0 HE1 HIS A 56 9.244 9.728 -10.928 1.00 0.00 H new ATOM 886 N GLU A 57 11.840 5.992 -8.256 1.00 0.00 N ATOM 887 CA GLU A 57 13.171 6.031 -8.859 1.00 0.00 C ATOM 888 C GLU A 57 14.318 5.999 -7.835 1.00 0.00 C ATOM 889 O GLU A 57 15.485 6.049 -8.203 1.00 0.00 O ATOM 890 CB GLU A 57 13.268 7.299 -9.687 1.00 0.00 C ATOM 891 CG GLU A 57 12.182 7.349 -10.759 1.00 0.00 C ATOM 892 CD GLU A 57 12.644 8.220 -11.929 1.00 0.00 C ATOM 893 OE1 GLU A 57 13.363 9.189 -11.690 1.00 0.00 O ATOM 894 OE2 GLU A 57 12.281 7.919 -13.065 1.00 0.00 O ATOM 0 H GLU A 57 11.268 5.186 -8.508 1.00 0.00 H new ATOM 0 HA GLU A 57 13.286 5.133 -9.466 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.179 8.168 -9.036 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.249 7.353 -10.158 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.959 6.342 -11.110 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.261 7.751 -10.337 1.00 0.00 H new ATOM 901 N GLY A 58 13.944 5.918 -6.548 1.00 0.00 N ATOM 902 CA GLY A 58 15.002 5.888 -5.545 1.00 0.00 C ATOM 903 C GLY A 58 14.650 6.687 -4.283 1.00 0.00 C ATOM 904 O GLY A 58 15.516 7.161 -3.558 1.00 0.00 O ATOM 0 H GLY A 58 12.986 5.875 -6.200 1.00 0.00 H new ATOM 0 HA2 GLY A 58 15.205 4.853 -5.269 1.00 0.00 H new ATOM 0 HA3 GLY A 58 15.919 6.288 -5.979 1.00 0.00 H new ATOM 908 N LYS A 59 13.332 6.792 -4.076 1.00 0.00 N ATOM 909 CA LYS A 59 12.852 7.495 -2.917 1.00 0.00 C ATOM 910 C LYS A 59 11.637 6.739 -2.427 1.00 0.00 C ATOM 911 O LYS A 59 10.519 6.928 -2.889 1.00 0.00 O ATOM 912 CB LYS A 59 12.483 8.926 -3.269 1.00 0.00 C ATOM 913 CG LYS A 59 13.669 9.692 -3.856 1.00 0.00 C ATOM 914 CD LYS A 59 13.379 10.181 -5.275 1.00 0.00 C ATOM 915 CE LYS A 59 14.470 11.126 -5.780 1.00 0.00 C ATOM 916 NZ LYS A 59 14.359 12.461 -5.203 1.00 0.00 N ATOM 0 H LYS A 59 12.610 6.406 -4.685 1.00 0.00 H new ATOM 0 HA LYS A 59 13.621 7.545 -2.146 1.00 0.00 H new ATOM 0 HB2 LYS A 59 11.662 8.923 -3.986 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.125 9.439 -2.376 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.904 10.544 -3.218 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.549 9.049 -3.865 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.299 9.326 -5.946 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.417 10.692 -5.294 1.00 0.00 H new ATOM 0 HE2 LYS A 59 15.448 10.709 -5.539 1.00 0.00 H new ATOM 0 HE3 LYS A 59 14.412 11.196 -6.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 15.099 13.074 -5.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.424 12.858 -5.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 14.475 12.404 -4.171 1.00 0.00 H new ATOM 930 N VAL A 60 11.937 5.873 -1.463 1.00 0.00 N ATOM 931 CA VAL A 60 10.868 5.061 -0.935 1.00 0.00 C ATOM 932 C VAL A 60 9.894 5.954 -0.204 1.00 0.00 C ATOM 933 O VAL A 60 10.258 6.860 0.535 1.00 0.00 O ATOM 934 CB VAL A 60 11.406 4.001 0.013 1.00 0.00 C ATOM 935 CG1 VAL A 60 11.577 4.592 1.404 1.00 0.00 C ATOM 936 CG2 VAL A 60 10.444 2.816 0.077 1.00 0.00 C ATOM 0 H VAL A 60 12.860 5.725 -1.056 1.00 0.00 H new ATOM 0 HA VAL A 60 10.368 4.553 -1.759 1.00 0.00 H new ATOM 0 HB VAL A 60 12.372 3.657 -0.356 1.00 0.00 H new ATOM 0 HG11 VAL A 60 11.963 3.828 2.079 1.00 0.00 H new ATOM 0 HG12 VAL A 60 12.278 5.426 1.361 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.613 4.946 1.770 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.839 2.063 0.759 1.00 0.00 H new ATOM 0 HG22 VAL A 60 9.472 3.155 0.435 1.00 0.00 H new ATOM 0 HG23 VAL A 60 10.333 2.383 -0.917 1.00 0.00 H new ATOM 946 N LEU A 61 8.640 5.606 -0.445 1.00 0.00 N ATOM 947 CA LEU A 61 7.589 6.378 0.159 1.00 0.00 C ATOM 948 C LEU A 61 6.612 5.510 0.894 1.00 0.00 C ATOM 949 O LEU A 61 6.584 4.290 0.797 1.00 0.00 O ATOM 950 CB LEU A 61 6.851 7.157 -0.915 1.00 0.00 C ATOM 951 CG LEU A 61 7.840 7.840 -1.840 1.00 0.00 C ATOM 952 CD1 LEU A 61 7.127 8.728 -2.855 1.00 0.00 C ATOM 953 CD2 LEU A 61 8.814 8.650 -1.001 1.00 0.00 C ATOM 0 H LEU A 61 8.342 4.826 -1.031 1.00 0.00 H new ATOM 0 HA LEU A 61 8.047 7.058 0.878 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.211 6.485 -1.487 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.201 7.900 -0.453 1.00 0.00 H new ATOM 0 HG LEU A 61 8.384 7.083 -2.405 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.863 9.203 -3.503 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.451 8.121 -3.458 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.557 9.495 -2.330 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.531 9.147 -1.654 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.266 9.398 -0.428 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.344 7.987 -0.318 1.00 0.00 H new ATOM 965 N HIS A 62 5.806 6.268 1.627 1.00 0.00 N ATOM 966 CA HIS A 62 4.768 5.637 2.413 1.00 0.00 C ATOM 967 C HIS A 62 3.613 6.627 2.537 1.00 0.00 C ATOM 968 O HIS A 62 3.809 7.807 2.759 1.00 0.00 O ATOM 969 CB HIS A 62 5.296 5.258 3.809 1.00 0.00 C ATOM 970 CG HIS A 62 6.644 4.568 3.711 1.00 0.00 C ATOM 971 ND1 HIS A 62 6.829 3.235 3.841 1.00 0.00 N ATOM 972 CD2 HIS A 62 7.901 5.165 3.500 1.00 0.00 C ATOM 973 CE1 HIS A 62 8.151 3.021 3.716 1.00 0.00 C ATOM 974 NE2 HIS A 62 8.818 4.170 3.509 1.00 0.00 N ATOM 0 H HIS A 62 5.851 7.285 1.691 1.00 0.00 H new ATOM 0 HA HIS A 62 4.436 4.720 1.927 1.00 0.00 H new ATOM 0 HB2 HIS A 62 5.386 6.154 4.423 1.00 0.00 H new ATOM 0 HB3 HIS A 62 4.582 4.601 4.306 1.00 0.00 H new ATOM 0 HD1 HIS A 62 6.109 2.531 4.002 1.00 0.00 H new ATOM 0 HD2 HIS A 62 8.097 6.218 3.358 1.00 0.00 H new ATOM 0 HE1 HIS A 62 8.618 2.049 3.775 1.00 0.00 H new ATOM 982 N TYR A 63 2.407 6.084 2.349 1.00 0.00 N ATOM 983 CA TYR A 63 1.250 6.933 2.459 1.00 0.00 C ATOM 984 C TYR A 63 0.273 6.287 3.420 1.00 0.00 C ATOM 985 O TYR A 63 0.015 5.095 3.350 1.00 0.00 O ATOM 986 CB TYR A 63 0.586 7.064 1.095 1.00 0.00 C ATOM 987 CG TYR A 63 1.432 7.824 0.123 1.00 0.00 C ATOM 988 CD1 TYR A 63 1.590 9.229 0.229 1.00 0.00 C ATOM 989 CD2 TYR A 63 2.080 7.136 -0.927 1.00 0.00 C ATOM 990 CE1 TYR A 63 2.387 9.921 -0.704 1.00 0.00 C ATOM 991 CE2 TYR A 63 2.875 7.829 -1.857 1.00 0.00 C ATOM 992 CZ TYR A 63 3.030 9.224 -1.748 1.00 0.00 C ATOM 993 OH TYR A 63 3.808 9.907 -2.660 1.00 0.00 O ATOM 0 H TYR A 63 2.223 5.105 2.130 1.00 0.00 H new ATOM 0 HA TYR A 63 1.544 7.920 2.817 1.00 0.00 H new ATOM 0 HB2 TYR A 63 0.381 6.071 0.696 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.375 7.566 1.208 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.099 9.769 1.025 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.963 6.066 -1.016 1.00 0.00 H new ATOM 0 HE1 TYR A 63 2.506 10.991 -0.619 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.366 7.291 -2.654 1.00 0.00 H new ATOM 0 HH TYR A 63 3.807 10.862 -2.441 1.00 0.00 H new ATOM 1003 N ARG A 64 -0.240 7.123 4.333 1.00 0.00 N ATOM 1004 CA ARG A 64 -1.214 6.568 5.243 1.00 0.00 C ATOM 1005 C ARG A 64 -2.496 6.376 4.453 1.00 0.00 C ATOM 1006 O ARG A 64 -2.691 6.961 3.397 1.00 0.00 O ATOM 1007 CB ARG A 64 -1.460 7.487 6.429 1.00 0.00 C ATOM 1008 CG ARG A 64 -2.702 7.065 7.215 1.00 0.00 C ATOM 1009 CD ARG A 64 -2.790 7.786 8.560 1.00 0.00 C ATOM 1010 NE ARG A 64 -2.202 6.971 9.607 1.00 0.00 N ATOM 1011 CZ ARG A 64 -2.956 6.013 10.178 1.00 0.00 C ATOM 1012 NH1 ARG A 64 -4.211 5.825 9.777 1.00 0.00 N ATOM 1013 NH2 ARG A 64 -2.447 5.252 11.142 1.00 0.00 N ATOM 0 H ARG A 64 -0.012 8.110 4.449 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.851 5.624 5.649 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -0.591 7.476 7.086 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.581 8.512 6.078 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -3.595 7.279 6.628 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -2.680 5.988 7.380 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.273 8.744 8.502 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -3.832 8.000 8.798 1.00 0.00 H new ATOM 0 HE ARG A 64 -1.238 7.121 9.904 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -4.602 6.407 9.036 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -4.781 5.099 10.210 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -1.485 5.394 11.449 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -3.019 4.526 11.574 1.00 0.00 H new ATOM 1027 N ILE A 65 -3.352 5.549 5.047 1.00 0.00 N ATOM 1028 CA ILE A 65 -4.612 5.259 4.379 1.00 0.00 C ATOM 1029 C ILE A 65 -5.592 4.613 5.358 1.00 0.00 C ATOM 1030 O ILE A 65 -5.417 3.484 5.800 1.00 0.00 O ATOM 1031 CB ILE A 65 -4.356 4.326 3.194 1.00 0.00 C ATOM 1032 CG1 ILE A 65 -3.965 5.126 1.953 1.00 0.00 C ATOM 1033 CG2 ILE A 65 -5.598 3.484 2.900 1.00 0.00 C ATOM 1034 CD1 ILE A 65 -2.500 4.904 1.587 1.00 0.00 C ATOM 0 H ILE A 65 -3.207 5.089 5.945 1.00 0.00 H new ATOM 0 HA ILE A 65 -5.050 6.189 4.016 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.532 3.662 3.456 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.599 4.835 1.116 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.140 6.187 2.132 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.399 2.826 2.054 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.847 2.885 3.776 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.434 4.141 2.660 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.254 5.487 0.700 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.866 5.219 2.416 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.332 3.846 1.384 1.00 0.00 H new ATOM 1046 N ASP A 66 -6.633 5.407 5.657 1.00 0.00 N ATOM 1047 CA ASP A 66 -7.640 4.925 6.551 1.00 0.00 C ATOM 1048 C ASP A 66 -9.019 5.333 6.100 1.00 0.00 C ATOM 1049 O ASP A 66 -9.213 6.114 5.183 1.00 0.00 O ATOM 1050 CB ASP A 66 -7.391 5.506 7.905 1.00 0.00 C ATOM 1051 CG ASP A 66 -7.129 7.014 7.811 1.00 0.00 C ATOM 1052 OD1 ASP A 66 -8.090 7.769 7.683 1.00 0.00 O ATOM 1053 OD2 ASP A 66 -5.966 7.412 7.868 1.00 0.00 O ATOM 0 H ASP A 66 -6.778 6.350 5.296 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.592 3.836 6.571 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.251 5.321 8.549 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.536 5.012 8.366 1.00 0.00 H new ATOM 1058 N LYS A 67 -9.949 4.796 6.887 1.00 0.00 N ATOM 1059 CA LYS A 67 -11.344 5.056 6.602 1.00 0.00 C ATOM 1060 C LYS A 67 -11.812 6.263 7.414 1.00 0.00 C ATOM 1061 O LYS A 67 -11.058 7.184 7.700 1.00 0.00 O ATOM 1062 CB LYS A 67 -12.161 3.817 6.959 1.00 0.00 C ATOM 1063 CG LYS A 67 -12.063 3.515 8.450 1.00 0.00 C ATOM 1064 CD LYS A 67 -11.707 2.051 8.711 1.00 0.00 C ATOM 1065 CE LYS A 67 -12.829 1.112 8.268 1.00 0.00 C ATOM 1066 NZ LYS A 67 -12.534 -0.285 8.563 1.00 0.00 N ATOM 0 H LYS A 67 -9.766 4.201 7.695 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.479 5.278 5.543 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.204 3.972 6.682 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.803 2.962 6.386 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.309 4.159 8.902 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.012 3.750 8.931 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.789 1.799 8.180 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.510 1.908 9.773 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -13.756 1.398 8.766 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -12.994 1.227 7.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -13.275 -0.890 8.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.613 -0.540 8.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.503 -0.423 9.593 1.00 0.00 H new ATOM 1080 N ASP A 68 -13.107 6.186 7.763 1.00 0.00 N ATOM 1081 CA ASP A 68 -13.686 7.266 8.541 1.00 0.00 C ATOM 1082 C ASP A 68 -14.844 6.721 9.375 1.00 0.00 C ATOM 1083 O ASP A 68 -15.906 7.323 9.480 1.00 0.00 O ATOM 1084 CB ASP A 68 -14.182 8.347 7.590 1.00 0.00 C ATOM 1085 CG ASP A 68 -13.313 9.600 7.724 1.00 0.00 C ATOM 1086 OD1 ASP A 68 -12.123 9.524 7.423 1.00 0.00 O ATOM 1087 OD2 ASP A 68 -13.838 10.637 8.127 1.00 0.00 O ATOM 0 H ASP A 68 -13.739 5.421 7.527 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.939 7.692 9.211 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.152 7.982 6.563 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -15.221 8.590 7.812 1.00 0.00 H new ATOM 1092 N LYS A 69 -14.563 5.541 9.957 1.00 0.00 N ATOM 1093 CA LYS A 69 -15.590 4.894 10.762 1.00 0.00 C ATOM 1094 C LYS A 69 -16.871 4.692 9.937 1.00 0.00 C ATOM 1095 O LYS A 69 -17.944 4.429 10.465 1.00 0.00 O ATOM 1096 CB LYS A 69 -15.874 5.732 12.006 1.00 0.00 C ATOM 1097 CG LYS A 69 -14.613 5.951 12.846 1.00 0.00 C ATOM 1098 CD LYS A 69 -13.719 7.041 12.251 1.00 0.00 C ATOM 1099 CE LYS A 69 -12.812 7.664 13.312 1.00 0.00 C ATOM 1100 NZ LYS A 69 -12.012 8.762 12.783 1.00 0.00 N ATOM 0 H LYS A 69 -13.676 5.043 9.886 1.00 0.00 H new ATOM 0 HA LYS A 69 -15.232 3.913 11.075 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -16.284 6.697 11.708 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -16.633 5.237 12.612 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -14.896 6.227 13.862 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -14.054 5.018 12.913 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -13.109 6.617 11.453 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -14.339 7.816 11.801 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -13.422 8.028 14.139 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.151 6.898 13.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.414 9.152 13.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.410 8.412 12.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.641 9.507 12.421 1.00 0.00 H new ATOM 1114 N THR A 70 -16.676 4.834 8.614 1.00 0.00 N ATOM 1115 CA THR A 70 -17.769 4.647 7.703 1.00 0.00 C ATOM 1116 C THR A 70 -17.724 3.212 7.175 1.00 0.00 C ATOM 1117 O THR A 70 -18.738 2.603 6.855 1.00 0.00 O ATOM 1118 CB THR A 70 -17.581 5.630 6.560 1.00 0.00 C ATOM 1119 OG1 THR A 70 -18.232 6.839 6.861 1.00 0.00 O ATOM 1120 CG2 THR A 70 -18.099 5.073 5.246 1.00 0.00 C ATOM 0 H THR A 70 -15.785 5.073 8.179 1.00 0.00 H new ATOM 0 HA THR A 70 -18.730 4.816 8.189 1.00 0.00 H new ATOM 0 HB THR A 70 -16.512 5.807 6.444 1.00 0.00 H new ATOM 0 HG1 THR A 70 -18.107 7.471 6.122 1.00 0.00 H new ATOM 0 HG21 THR A 70 -17.946 5.806 4.454 1.00 0.00 H new ATOM 0 HG22 THR A 70 -17.561 4.157 5.001 1.00 0.00 H new ATOM 0 HG23 THR A 70 -19.163 4.855 5.338 1.00 0.00 H new ATOM 1128 N GLY A 71 -16.468 2.726 7.109 1.00 0.00 N ATOM 1129 CA GLY A 71 -16.269 1.384 6.616 1.00 0.00 C ATOM 1130 C GLY A 71 -15.418 1.337 5.338 1.00 0.00 C ATOM 1131 O GLY A 71 -14.959 0.285 4.912 1.00 0.00 O ATOM 0 H GLY A 71 -15.623 3.229 7.381 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -15.787 0.786 7.389 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -17.239 0.928 6.418 1.00 0.00 H new ATOM 1135 N LYS A 72 -15.243 2.537 4.765 1.00 0.00 N ATOM 1136 CA LYS A 72 -14.465 2.610 3.539 1.00 0.00 C ATOM 1137 C LYS A 72 -13.096 3.207 3.834 1.00 0.00 C ATOM 1138 O LYS A 72 -12.954 4.149 4.598 1.00 0.00 O ATOM 1139 CB LYS A 72 -15.203 3.456 2.504 1.00 0.00 C ATOM 1140 CG LYS A 72 -16.471 2.759 2.009 1.00 0.00 C ATOM 1141 CD LYS A 72 -17.043 3.448 0.769 1.00 0.00 C ATOM 1142 CE LYS A 72 -17.582 4.840 1.097 1.00 0.00 C ATOM 1143 NZ LYS A 72 -18.750 4.792 1.968 1.00 0.00 N ATOM 0 H LYS A 72 -15.611 3.422 5.114 1.00 0.00 H new ATOM 0 HA LYS A 72 -14.331 1.606 3.136 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.464 4.420 2.940 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.544 3.656 1.659 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.248 1.718 1.777 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -17.219 2.756 2.802 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -16.268 3.528 0.006 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -17.842 2.837 0.349 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -16.798 5.427 1.576 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -17.843 5.353 0.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -19.027 5.759 2.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -19.537 4.330 1.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -18.520 4.253 2.827 1.00 0.00 H new ATOM 1157 N LEU A 73 -12.103 2.604 3.158 1.00 0.00 N ATOM 1158 CA LEU A 73 -10.750 3.073 3.352 1.00 0.00 C ATOM 1159 C LEU A 73 -10.541 4.295 2.474 1.00 0.00 C ATOM 1160 O LEU A 73 -11.199 4.468 1.459 1.00 0.00 O ATOM 1161 CB LEU A 73 -9.776 1.964 2.974 1.00 0.00 C ATOM 1162 CG LEU A 73 -10.092 0.662 3.711 1.00 0.00 C ATOM 1163 CD1 LEU A 73 -9.220 -0.477 3.183 1.00 0.00 C ATOM 1164 CD2 LEU A 73 -9.882 0.838 5.216 1.00 0.00 C ATOM 0 H LEU A 73 -12.216 1.828 2.505 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.577 3.342 4.394 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.818 1.793 1.898 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.758 2.277 3.208 1.00 0.00 H new ATOM 0 HG LEU A 73 -11.137 0.409 3.532 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.458 -1.396 3.719 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.410 -0.618 2.119 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.169 -0.231 3.334 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.111 -0.097 5.727 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -8.845 1.113 5.409 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.540 1.624 5.586 1.00 0.00 H new ATOM 1176 N SER A 74 -9.601 5.137 2.927 1.00 0.00 N ATOM 1177 CA SER A 74 -9.346 6.334 2.148 1.00 0.00 C ATOM 1178 C SER A 74 -7.934 6.843 2.407 1.00 0.00 C ATOM 1179 O SER A 74 -7.084 6.158 2.963 1.00 0.00 O ATOM 1180 CB SER A 74 -10.377 7.401 2.510 1.00 0.00 C ATOM 1181 OG SER A 74 -10.096 7.955 3.770 1.00 0.00 O ATOM 0 H SER A 74 -9.043 5.018 3.772 1.00 0.00 H new ATOM 0 HA SER A 74 -9.432 6.100 1.087 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.376 8.186 1.754 1.00 0.00 H new ATOM 0 HB3 SER A 74 -11.375 6.963 2.514 1.00 0.00 H new ATOM 0 HG SER A 74 -10.039 7.239 4.437 1.00 0.00 H new ATOM 1187 N ILE A 75 -7.754 8.097 1.963 1.00 0.00 N ATOM 1188 CA ILE A 75 -6.455 8.719 2.126 1.00 0.00 C ATOM 1189 C ILE A 75 -6.642 10.212 2.375 1.00 0.00 C ATOM 1190 O ILE A 75 -7.499 10.857 1.783 1.00 0.00 O ATOM 1191 CB ILE A 75 -5.652 8.523 0.844 1.00 0.00 C ATOM 1192 CG1 ILE A 75 -5.752 7.080 0.348 1.00 0.00 C ATOM 1193 CG2 ILE A 75 -4.188 8.920 1.050 1.00 0.00 C ATOM 1194 CD1 ILE A 75 -4.557 6.710 -0.536 1.00 0.00 C ATOM 0 H ILE A 75 -8.465 8.670 1.509 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.930 8.269 2.969 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.079 9.174 0.082 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.799 6.403 1.201 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.677 6.950 -0.214 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.637 8.771 0.122 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.133 9.969 1.341 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.751 8.303 1.835 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.659 5.678 -0.872 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -4.526 7.372 -1.401 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.635 6.816 0.035 1.00 0.00 H new ATOM 1206 N PRO A 76 -5.794 10.738 3.287 1.00 0.00 N ATOM 1207 CA PRO A 76 -5.807 12.147 3.613 1.00 0.00 C ATOM 1208 C PRO A 76 -5.715 12.993 2.348 1.00 0.00 C ATOM 1209 O PRO A 76 -6.552 13.840 2.060 1.00 0.00 O ATOM 1210 CB PRO A 76 -4.573 12.373 4.488 1.00 0.00 C ATOM 1211 CG PRO A 76 -3.979 10.988 4.799 1.00 0.00 C ATOM 1212 CD PRO A 76 -4.800 9.965 4.011 1.00 0.00 C ATOM 0 HA PRO A 76 -6.728 12.433 4.121 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -3.844 12.998 3.972 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -4.843 12.892 5.408 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -2.929 10.945 4.511 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.025 10.779 5.868 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.168 9.399 3.326 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.273 9.244 4.678 1.00 0.00 H new ATOM 1220 N GLU A 77 -4.632 12.688 1.623 1.00 0.00 N ATOM 1221 CA GLU A 77 -4.403 13.383 0.369 1.00 0.00 C ATOM 1222 C GLU A 77 -4.883 12.513 -0.802 1.00 0.00 C ATOM 1223 O GLU A 77 -5.450 13.002 -1.772 1.00 0.00 O ATOM 1224 CB GLU A 77 -2.921 13.717 0.239 1.00 0.00 C ATOM 1225 CG GLU A 77 -2.472 14.668 1.350 1.00 0.00 C ATOM 1226 CD GLU A 77 -1.074 15.205 1.045 1.00 0.00 C ATOM 1227 OE1 GLU A 77 -0.392 14.621 0.207 1.00 0.00 O ATOM 1228 OE2 GLU A 77 -0.685 16.204 1.648 1.00 0.00 O ATOM 0 H GLU A 77 -3.931 11.992 1.876 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.969 14.315 0.351 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -2.333 12.800 0.281 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.731 14.173 -0.733 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.177 15.495 1.439 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.469 14.147 2.307 1.00 0.00 H new ATOM 1235 N GLY A 78 -4.617 11.196 -0.646 1.00 0.00 N ATOM 1236 CA GLY A 78 -5.042 10.270 -1.687 1.00 0.00 C ATOM 1237 C GLY A 78 -6.555 10.399 -1.918 1.00 0.00 C ATOM 1238 O GLY A 78 -7.152 11.444 -1.695 1.00 0.00 O ATOM 0 H GLY A 78 -4.135 10.779 0.151 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.505 10.479 -2.612 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.795 9.248 -1.399 1.00 0.00 H new ATOM 1242 N LYS A 79 -7.134 9.269 -2.371 1.00 0.00 N ATOM 1243 CA LYS A 79 -8.567 9.275 -2.596 1.00 0.00 C ATOM 1244 C LYS A 79 -9.221 8.186 -1.746 1.00 0.00 C ATOM 1245 O LYS A 79 -8.565 7.339 -1.154 1.00 0.00 O ATOM 1246 CB LYS A 79 -8.852 9.087 -4.086 1.00 0.00 C ATOM 1247 CG LYS A 79 -9.953 8.063 -4.370 1.00 0.00 C ATOM 1248 CD LYS A 79 -10.055 7.766 -5.864 1.00 0.00 C ATOM 1249 CE LYS A 79 -11.439 7.232 -6.236 1.00 0.00 C ATOM 1250 NZ LYS A 79 -11.552 6.917 -7.655 1.00 0.00 N ATOM 0 H LYS A 79 -6.652 8.393 -2.575 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.993 10.232 -2.296 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.138 10.046 -4.517 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -7.936 8.773 -4.587 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.746 7.141 -3.826 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.908 8.441 -4.005 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -9.850 8.674 -6.431 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -9.295 7.036 -6.144 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.649 6.337 -5.650 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.194 7.972 -5.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -12.556 6.839 -7.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -11.107 7.672 -8.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -11.073 6.015 -7.849 1.00 0.00 H new ATOM 1264 N LYS A 80 -10.558 8.277 -1.735 1.00 0.00 N ATOM 1265 CA LYS A 80 -11.320 7.318 -0.947 1.00 0.00 C ATOM 1266 C LYS A 80 -11.645 6.082 -1.789 1.00 0.00 C ATOM 1267 O LYS A 80 -11.950 6.165 -2.972 1.00 0.00 O ATOM 1268 CB LYS A 80 -12.600 7.980 -0.445 1.00 0.00 C ATOM 1269 CG LYS A 80 -13.413 7.036 0.440 1.00 0.00 C ATOM 1270 CD LYS A 80 -14.452 7.796 1.264 1.00 0.00 C ATOM 1271 CE LYS A 80 -15.103 8.913 0.450 1.00 0.00 C ATOM 1272 NZ LYS A 80 -16.192 9.563 1.171 1.00 0.00 N ATOM 0 H LYS A 80 -11.107 8.973 -2.240 1.00 0.00 H new ATOM 0 HA LYS A 80 -10.727 6.998 -0.090 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -12.349 8.880 0.117 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -13.205 8.294 -1.295 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -13.913 6.293 -0.182 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -12.743 6.494 1.108 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -15.219 7.104 1.613 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.977 8.219 2.150 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -14.349 9.656 0.189 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -15.484 8.503 -0.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -16.602 10.313 0.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -16.925 8.862 1.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -15.826 9.979 2.051 1.00 0.00 H new ATOM 1286 N PHE A 81 -11.553 4.932 -1.090 1.00 0.00 N ATOM 1287 CA PHE A 81 -11.827 3.681 -1.758 1.00 0.00 C ATOM 1288 C PHE A 81 -12.676 2.775 -0.866 1.00 0.00 C ATOM 1289 O PHE A 81 -12.884 3.021 0.321 1.00 0.00 O ATOM 1290 CB PHE A 81 -10.509 2.994 -2.051 1.00 0.00 C ATOM 1291 CG PHE A 81 -9.778 3.655 -3.179 1.00 0.00 C ATOM 1292 CD1 PHE A 81 -10.099 3.341 -4.521 1.00 0.00 C ATOM 1293 CD2 PHE A 81 -8.742 4.584 -2.912 1.00 0.00 C ATOM 1294 CE1 PHE A 81 -9.392 3.947 -5.584 1.00 0.00 C ATOM 1295 CE2 PHE A 81 -8.036 5.190 -3.975 1.00 0.00 C ATOM 1296 CZ PHE A 81 -8.361 4.871 -5.310 1.00 0.00 C ATOM 0 H PHE A 81 -11.301 4.860 -0.104 1.00 0.00 H new ATOM 0 HA PHE A 81 -12.373 3.876 -2.681 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -9.886 3.006 -1.157 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -10.691 1.948 -2.299 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -10.888 2.635 -4.734 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -8.491 4.830 -1.891 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -9.641 3.703 -6.606 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -7.247 5.898 -3.766 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.821 5.334 -6.123 1.00 0.00 H new ATOM 1306 N ASP A 82 -13.114 1.687 -1.524 1.00 0.00 N ATOM 1307 CA ASP A 82 -13.933 0.720 -0.818 1.00 0.00 C ATOM 1308 C ASP A 82 -13.035 -0.153 0.055 1.00 0.00 C ATOM 1309 O ASP A 82 -13.230 -0.280 1.258 1.00 0.00 O ATOM 1310 CB ASP A 82 -14.699 -0.135 -1.825 1.00 0.00 C ATOM 1311 CG ASP A 82 -15.712 -1.017 -1.093 1.00 0.00 C ATOM 1312 OD1 ASP A 82 -16.701 -0.483 -0.592 1.00 0.00 O ATOM 1313 OD2 ASP A 82 -15.502 -2.227 -1.032 1.00 0.00 O ATOM 0 H ASP A 82 -12.919 1.471 -2.502 1.00 0.00 H new ATOM 0 HA ASP A 82 -14.654 1.235 -0.182 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -15.212 0.505 -2.543 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -14.005 -0.756 -2.391 1.00 0.00 H new ATOM 1318 N THR A 83 -12.039 -0.743 -0.634 1.00 0.00 N ATOM 1319 CA THR A 83 -11.113 -1.587 0.079 1.00 0.00 C ATOM 1320 C THR A 83 -9.740 -1.411 -0.550 1.00 0.00 C ATOM 1321 O THR A 83 -9.583 -0.787 -1.593 1.00 0.00 O ATOM 1322 CB THR A 83 -11.565 -3.043 -0.007 1.00 0.00 C ATOM 1323 OG1 THR A 83 -11.656 -3.425 -1.357 1.00 0.00 O ATOM 1324 CG2 THR A 83 -12.915 -3.258 0.678 1.00 0.00 C ATOM 0 H THR A 83 -11.873 -0.647 -1.636 1.00 0.00 H new ATOM 0 HA THR A 83 -11.074 -1.311 1.133 1.00 0.00 H new ATOM 0 HB THR A 83 -10.827 -3.656 0.510 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.944 -4.360 -1.414 1.00 0.00 H new ATOM 0 HG21 THR A 83 -13.202 -4.306 0.595 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.837 -2.985 1.730 1.00 0.00 H new ATOM 0 HG23 THR A 83 -13.670 -2.636 0.197 1.00 0.00 H new ATOM 1332 N LEU A 84 -8.764 -1.996 0.148 1.00 0.00 N ATOM 1333 CA LEU A 84 -7.420 -1.914 -0.325 1.00 0.00 C ATOM 1334 C LEU A 84 -7.242 -2.562 -1.695 1.00 0.00 C ATOM 1335 O LEU A 84 -6.174 -2.525 -2.286 1.00 0.00 O ATOM 1336 CB LEU A 84 -6.589 -2.649 0.694 1.00 0.00 C ATOM 1337 CG LEU A 84 -5.772 -1.712 1.564 1.00 0.00 C ATOM 1338 CD1 LEU A 84 -4.885 -2.527 2.493 1.00 0.00 C ATOM 1339 CD2 LEU A 84 -4.937 -0.777 0.698 1.00 0.00 C ATOM 0 H LEU A 84 -8.893 -2.514 1.017 1.00 0.00 H new ATOM 0 HA LEU A 84 -7.126 -0.871 -0.443 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -7.243 -3.249 1.327 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.920 -3.340 0.182 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.444 -1.100 2.166 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.298 -1.854 3.118 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.506 -3.161 3.126 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.215 -3.151 1.902 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.357 -0.111 1.337 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.261 -1.364 0.076 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.595 -0.186 0.061 1.00 0.00 H new ATOM 1351 N TRP A 85 -8.343 -3.150 -2.148 1.00 0.00 N ATOM 1352 CA TRP A 85 -8.303 -3.800 -3.444 1.00 0.00 C ATOM 1353 C TRP A 85 -8.566 -2.781 -4.526 1.00 0.00 C ATOM 1354 O TRP A 85 -8.063 -2.863 -5.639 1.00 0.00 O ATOM 1355 CB TRP A 85 -9.391 -4.860 -3.490 1.00 0.00 C ATOM 1356 CG TRP A 85 -8.788 -6.199 -3.835 1.00 0.00 C ATOM 1357 CD1 TRP A 85 -7.746 -6.407 -4.736 1.00 0.00 C ATOM 1358 CD2 TRP A 85 -9.167 -7.475 -3.320 1.00 0.00 C ATOM 1359 NE1 TRP A 85 -7.464 -7.742 -4.801 1.00 0.00 N ATOM 1360 CE2 TRP A 85 -8.318 -8.442 -3.942 1.00 0.00 C ATOM 1361 CE3 TRP A 85 -10.133 -7.870 -2.405 1.00 0.00 C ATOM 1362 CZ2 TRP A 85 -8.448 -9.791 -3.638 1.00 0.00 C ATOM 1363 CZ3 TRP A 85 -10.275 -9.244 -2.088 1.00 0.00 C ATOM 1364 CH2 TRP A 85 -9.431 -10.206 -2.705 1.00 0.00 C ATOM 0 H TRP A 85 -9.237 -3.189 -1.659 1.00 0.00 H new ATOM 0 HA TRP A 85 -7.324 -4.254 -3.600 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -9.897 -4.917 -2.526 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -10.144 -4.589 -4.230 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -7.240 -5.634 -5.295 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -6.742 -8.163 -5.386 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -10.772 -7.135 -1.938 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -7.804 -10.519 -4.109 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -11.025 -9.560 -1.378 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -9.538 -11.253 -2.463 1.00 0.00 H new ATOM 1375 N GLN A 86 -9.383 -1.816 -4.112 1.00 0.00 N ATOM 1376 CA GLN A 86 -9.741 -0.786 -5.056 1.00 0.00 C ATOM 1377 C GLN A 86 -8.711 0.314 -5.014 1.00 0.00 C ATOM 1378 O GLN A 86 -8.273 0.823 -6.026 1.00 0.00 O ATOM 1379 CB GLN A 86 -11.135 -0.250 -4.742 1.00 0.00 C ATOM 1380 CG GLN A 86 -12.172 -1.372 -4.690 1.00 0.00 C ATOM 1381 CD GLN A 86 -12.349 -1.980 -6.083 1.00 0.00 C ATOM 1382 OE1 GLN A 86 -11.396 -2.373 -6.744 1.00 0.00 O ATOM 1383 NE2 GLN A 86 -13.635 -2.027 -6.476 1.00 0.00 N ATOM 0 H GLN A 86 -9.786 -1.733 -3.179 1.00 0.00 H new ATOM 0 HA GLN A 86 -9.761 -1.202 -6.063 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.117 0.274 -3.786 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -11.424 0.478 -5.499 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -11.854 -2.141 -3.985 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -13.124 -0.983 -4.329 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -14.369 -1.677 -5.861 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -13.875 -2.413 -7.389 1.00 0.00 H new ATOM 1392 N LEU A 87 -8.336 0.640 -3.787 1.00 0.00 N ATOM 1393 CA LEU A 87 -7.349 1.681 -3.661 1.00 0.00 C ATOM 1394 C LEU A 87 -6.024 1.232 -4.270 1.00 0.00 C ATOM 1395 O LEU A 87 -5.250 2.038 -4.762 1.00 0.00 O ATOM 1396 CB LEU A 87 -7.185 2.027 -2.184 1.00 0.00 C ATOM 1397 CG LEU A 87 -6.127 3.098 -1.957 1.00 0.00 C ATOM 1398 CD1 LEU A 87 -6.244 3.656 -0.540 1.00 0.00 C ATOM 1399 CD2 LEU A 87 -4.731 2.518 -2.186 1.00 0.00 C ATOM 0 H LEU A 87 -8.678 0.226 -2.920 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.675 2.569 -4.202 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.139 2.371 -1.785 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.914 1.128 -1.630 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.287 3.909 -2.668 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.483 4.421 -0.386 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.233 4.094 -0.402 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.100 2.851 0.181 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.983 3.294 -2.021 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.560 1.695 -1.492 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.653 2.151 -3.209 1.00 0.00 H new ATOM 1411 N VAL A 88 -5.819 -0.095 -4.234 1.00 0.00 N ATOM 1412 CA VAL A 88 -4.600 -0.603 -4.770 1.00 0.00 C ATOM 1413 C VAL A 88 -4.714 -0.768 -6.268 1.00 0.00 C ATOM 1414 O VAL A 88 -3.830 -0.392 -7.013 1.00 0.00 O ATOM 1415 CB VAL A 88 -4.307 -1.951 -4.159 1.00 0.00 C ATOM 1416 CG1 VAL A 88 -3.297 -2.665 -5.031 1.00 0.00 C ATOM 1417 CG2 VAL A 88 -3.793 -1.802 -2.728 1.00 0.00 C ATOM 0 H VAL A 88 -6.464 -0.787 -3.853 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.799 0.100 -4.541 1.00 0.00 H new ATOM 0 HB VAL A 88 -5.224 -2.539 -4.109 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.074 -3.642 -4.603 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.707 -2.792 -6.033 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.382 -2.075 -5.086 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.589 -2.788 -2.310 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.876 -1.212 -2.730 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.546 -1.299 -2.121 1.00 0.00 H new ATOM 1427 N GLU A 89 -5.839 -1.386 -6.659 1.00 0.00 N ATOM 1428 CA GLU A 89 -5.997 -1.623 -8.079 1.00 0.00 C ATOM 1429 C GLU A 89 -6.101 -0.313 -8.823 1.00 0.00 C ATOM 1430 O GLU A 89 -5.511 -0.118 -9.878 1.00 0.00 O ATOM 1431 CB GLU A 89 -7.222 -2.464 -8.323 1.00 0.00 C ATOM 1432 CG GLU A 89 -8.498 -1.753 -7.924 1.00 0.00 C ATOM 1433 CD GLU A 89 -9.201 -1.196 -9.164 1.00 0.00 C ATOM 1434 OE1 GLU A 89 -9.777 -1.982 -9.914 1.00 0.00 O ATOM 1435 OE2 GLU A 89 -9.166 0.017 -9.365 1.00 0.00 O ATOM 0 H GLU A 89 -6.595 -1.706 -6.054 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.122 -2.158 -8.448 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.272 -2.730 -9.379 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.138 -3.395 -7.763 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.160 -2.443 -7.401 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.270 -0.943 -7.231 1.00 0.00 H new ATOM 1442 N HIS A 90 -6.888 0.568 -8.208 1.00 0.00 N ATOM 1443 CA HIS A 90 -7.063 1.852 -8.855 1.00 0.00 C ATOM 1444 C HIS A 90 -5.717 2.490 -9.047 1.00 0.00 C ATOM 1445 O HIS A 90 -5.317 2.872 -10.131 1.00 0.00 O ATOM 1446 CB HIS A 90 -7.942 2.759 -8.015 1.00 0.00 C ATOM 1447 CG HIS A 90 -8.649 3.747 -8.912 1.00 0.00 C ATOM 1448 ND1 HIS A 90 -9.364 3.398 -10.003 1.00 0.00 N ATOM 1449 CD2 HIS A 90 -8.697 5.147 -8.785 1.00 0.00 C ATOM 1450 CE1 HIS A 90 -9.836 4.541 -10.529 1.00 0.00 C ATOM 1451 NE2 HIS A 90 -9.448 5.611 -9.812 1.00 0.00 N ATOM 0 H HIS A 90 -7.380 0.428 -7.326 1.00 0.00 H new ATOM 0 HA HIS A 90 -7.547 1.701 -9.820 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -8.671 2.166 -7.463 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -7.338 3.288 -7.278 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -8.225 5.739 -8.015 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -10.450 4.594 -11.416 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -9.676 6.586 -10.005 1.00 0.00 H new ATOM 1459 N TYR A 91 -5.065 2.588 -7.907 1.00 0.00 N ATOM 1460 CA TYR A 91 -3.748 3.177 -7.924 1.00 0.00 C ATOM 1461 C TYR A 91 -2.821 2.348 -8.810 1.00 0.00 C ATOM 1462 O TYR A 91 -1.841 2.846 -9.348 1.00 0.00 O ATOM 1463 CB TYR A 91 -3.218 3.284 -6.512 1.00 0.00 C ATOM 1464 CG TYR A 91 -3.706 4.553 -5.860 1.00 0.00 C ATOM 1465 CD1 TYR A 91 -4.959 5.113 -6.228 1.00 0.00 C ATOM 1466 CD2 TYR A 91 -2.930 5.199 -4.868 1.00 0.00 C ATOM 1467 CE1 TYR A 91 -5.428 6.292 -5.612 1.00 0.00 C ATOM 1468 CE2 TYR A 91 -3.403 6.384 -4.252 1.00 0.00 C ATOM 1469 CZ TYR A 91 -4.650 6.927 -4.623 1.00 0.00 C ATOM 1470 OH TYR A 91 -5.108 8.081 -4.021 1.00 0.00 O ATOM 0 H TYR A 91 -5.408 2.282 -6.996 1.00 0.00 H new ATOM 0 HA TYR A 91 -3.799 4.183 -8.341 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -3.541 2.421 -5.930 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -2.128 3.270 -6.524 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -5.558 4.631 -6.987 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -1.974 4.787 -4.580 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -6.383 6.708 -5.898 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -2.806 6.873 -3.496 1.00 0.00 H new ATOM 0 HH TYR A 91 -4.473 8.809 -4.184 1.00 0.00 H new ATOM 1480 N SER A 92 -3.181 1.051 -8.933 1.00 0.00 N ATOM 1481 CA SER A 92 -2.374 0.215 -9.804 1.00 0.00 C ATOM 1482 C SER A 92 -2.417 0.784 -11.227 1.00 0.00 C ATOM 1483 O SER A 92 -1.620 0.445 -12.093 1.00 0.00 O ATOM 1484 CB SER A 92 -2.955 -1.177 -9.794 1.00 0.00 C ATOM 1485 OG SER A 92 -1.943 -2.150 -9.733 1.00 0.00 O ATOM 0 H SER A 92 -3.970 0.598 -8.471 1.00 0.00 H new ATOM 0 HA SER A 92 -1.340 0.189 -9.461 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.623 -1.289 -8.940 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.556 -1.329 -10.690 1.00 0.00 H new ATOM 0 HG SER A 92 -2.347 -3.043 -9.726 1.00 0.00 H new ATOM 1491 N TYR A 93 -3.413 1.672 -11.385 1.00 0.00 N ATOM 1492 CA TYR A 93 -3.618 2.298 -12.668 1.00 0.00 C ATOM 1493 C TYR A 93 -2.806 3.570 -12.735 1.00 0.00 C ATOM 1494 O TYR A 93 -1.985 3.782 -13.614 1.00 0.00 O ATOM 1495 CB TYR A 93 -5.090 2.664 -12.814 1.00 0.00 C ATOM 1496 CG TYR A 93 -6.001 1.487 -12.599 1.00 0.00 C ATOM 1497 CD1 TYR A 93 -5.502 0.163 -12.666 1.00 0.00 C ATOM 1498 CD2 TYR A 93 -7.372 1.698 -12.322 1.00 0.00 C ATOM 1499 CE1 TYR A 93 -6.365 -0.937 -12.463 1.00 0.00 C ATOM 1500 CE2 TYR A 93 -8.237 0.598 -12.118 1.00 0.00 C ATOM 1501 CZ TYR A 93 -7.733 -0.720 -12.189 1.00 0.00 C ATOM 1502 OH TYR A 93 -8.576 -1.794 -11.989 1.00 0.00 O ATOM 0 H TYR A 93 -4.064 1.956 -10.653 1.00 0.00 H new ATOM 0 HA TYR A 93 -3.315 1.613 -13.460 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -5.339 3.447 -12.098 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -5.262 3.075 -13.809 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -4.456 -0.007 -12.873 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.760 2.704 -12.266 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.978 -1.944 -12.517 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -9.283 0.765 -11.908 1.00 0.00 H new ATOM 0 HH TYR A 93 -9.398 -1.488 -11.552 1.00 0.00 H new ATOM 1512 N LYS A 94 -3.166 4.410 -11.757 1.00 0.00 N ATOM 1513 CA LYS A 94 -2.539 5.688 -11.632 1.00 0.00 C ATOM 1514 C LYS A 94 -2.042 5.932 -10.225 1.00 0.00 C ATOM 1515 O LYS A 94 -2.167 5.124 -9.315 1.00 0.00 O ATOM 1516 CB LYS A 94 -3.590 6.725 -11.914 1.00 0.00 C ATOM 1517 CG LYS A 94 -4.868 6.439 -11.110 1.00 0.00 C ATOM 1518 CD LYS A 94 -6.002 7.384 -11.499 1.00 0.00 C ATOM 1519 CE LYS A 94 -6.741 6.880 -12.740 1.00 0.00 C ATOM 1520 NZ LYS A 94 -7.816 7.775 -13.150 1.00 0.00 N ATOM 0 H LYS A 94 -3.882 4.212 -11.058 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.693 5.733 -12.317 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -3.209 7.714 -11.660 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -3.820 6.736 -12.979 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.180 5.408 -11.277 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.659 6.540 -10.045 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -6.702 7.478 -10.669 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -5.600 8.379 -11.691 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.032 6.768 -13.561 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -7.153 5.891 -12.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.286 7.390 -13.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -8.508 7.863 -12.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -7.423 8.712 -13.370 1.00 0.00 H new ATOM 1534 N ALA A 95 -1.480 7.132 -10.146 1.00 0.00 N ATOM 1535 CA ALA A 95 -0.979 7.607 -8.874 1.00 0.00 C ATOM 1536 C ALA A 95 -2.157 8.155 -8.069 1.00 0.00 C ATOM 1537 O ALA A 95 -2.331 7.865 -6.896 1.00 0.00 O ATOM 1538 CB ALA A 95 0.060 8.701 -9.107 1.00 0.00 C ATOM 0 H ALA A 95 -1.364 7.776 -10.929 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.504 6.794 -8.325 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.435 9.057 -8.147 1.00 0.00 H new ATOM 0 HB2 ALA A 95 0.886 8.299 -9.693 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.399 9.529 -9.647 1.00 0.00 H new ATOM 1544 N ASP A 96 -2.969 8.952 -8.792 1.00 0.00 N ATOM 1545 CA ASP A 96 -4.131 9.543 -8.133 1.00 0.00 C ATOM 1546 C ASP A 96 -3.712 10.646 -7.159 1.00 0.00 C ATOM 1547 O ASP A 96 -4.524 11.375 -6.602 1.00 0.00 O ATOM 1548 CB ASP A 96 -4.884 8.457 -7.403 1.00 0.00 C ATOM 1549 CG ASP A 96 -6.291 8.318 -7.982 1.00 0.00 C ATOM 1550 OD1 ASP A 96 -7.033 9.299 -7.962 1.00 0.00 O ATOM 1551 OD2 ASP A 96 -6.629 7.231 -8.445 1.00 0.00 O ATOM 0 H ASP A 96 -2.847 9.187 -9.777 1.00 0.00 H new ATOM 0 HA ASP A 96 -4.774 9.997 -8.887 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -4.350 7.511 -7.491 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -4.941 8.693 -6.340 1.00 0.00 H new ATOM 1556 N GLY A 97 -2.395 10.701 -7.007 1.00 0.00 N ATOM 1557 CA GLY A 97 -1.811 11.685 -6.117 1.00 0.00 C ATOM 1558 C GLY A 97 -0.414 11.254 -5.650 1.00 0.00 C ATOM 1559 O GLY A 97 0.437 12.072 -5.320 1.00 0.00 O ATOM 0 H GLY A 97 -1.728 10.090 -7.478 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -1.746 12.646 -6.627 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -2.459 11.826 -5.252 1.00 0.00 H new ATOM 1563 N LEU A 98 -0.244 9.915 -5.640 1.00 0.00 N ATOM 1564 CA LEU A 98 1.026 9.376 -5.211 1.00 0.00 C ATOM 1565 C LEU A 98 2.147 10.149 -5.887 1.00 0.00 C ATOM 1566 O LEU A 98 1.920 10.993 -6.745 1.00 0.00 O ATOM 1567 CB LEU A 98 1.112 7.920 -5.646 1.00 0.00 C ATOM 1568 CG LEU A 98 -0.063 7.111 -5.135 1.00 0.00 C ATOM 1569 CD1 LEU A 98 -0.132 5.772 -5.854 1.00 0.00 C ATOM 1570 CD2 LEU A 98 0.060 6.928 -3.626 1.00 0.00 C ATOM 0 H LEU A 98 -0.947 9.228 -5.914 1.00 0.00 H new ATOM 0 HA LEU A 98 1.116 9.455 -4.128 1.00 0.00 H new ATOM 0 HB2 LEU A 98 1.144 7.867 -6.734 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.041 7.485 -5.278 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.991 7.645 -5.341 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.980 5.200 -5.478 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.253 5.940 -6.924 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.788 5.215 -5.676 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.786 6.346 -3.260 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.988 6.403 -3.398 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.066 7.904 -3.140 1.00 0.00 H new ATOM 1582 N LEU A 99 3.370 9.808 -5.454 1.00 0.00 N ATOM 1583 CA LEU A 99 4.503 10.442 -6.094 1.00 0.00 C ATOM 1584 C LEU A 99 4.442 10.069 -7.579 1.00 0.00 C ATOM 1585 O LEU A 99 4.603 10.895 -8.470 1.00 0.00 O ATOM 1586 CB LEU A 99 5.802 9.953 -5.460 1.00 0.00 C ATOM 1587 CG LEU A 99 6.908 11.001 -5.567 1.00 0.00 C ATOM 1588 CD1 LEU A 99 7.071 11.459 -7.015 1.00 0.00 C ATOM 1589 CD2 LEU A 99 6.595 12.195 -4.663 1.00 0.00 C ATOM 0 H LEU A 99 3.582 9.141 -4.712 1.00 0.00 H new ATOM 0 HA LEU A 99 4.472 11.525 -5.974 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.628 9.712 -4.411 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.123 9.033 -5.949 1.00 0.00 H new ATOM 0 HG LEU A 99 7.845 10.551 -5.240 1.00 0.00 H new ATOM 0 HD11 LEU A 99 7.863 12.206 -7.073 1.00 0.00 H new ATOM 0 HD12 LEU A 99 7.331 10.605 -7.640 1.00 0.00 H new ATOM 0 HD13 LEU A 99 6.135 11.894 -7.366 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.391 12.935 -4.749 1.00 0.00 H new ATOM 0 HD22 LEU A 99 5.649 12.643 -4.967 1.00 0.00 H new ATOM 0 HD23 LEU A 99 6.522 11.859 -3.629 1.00 0.00 H new ATOM 1601 N ARG A 100 4.188 8.756 -7.763 1.00 0.00 N ATOM 1602 CA ARG A 100 4.060 8.228 -9.100 1.00 0.00 C ATOM 1603 C ARG A 100 3.184 6.971 -9.040 1.00 0.00 C ATOM 1604 O ARG A 100 3.110 6.289 -8.026 1.00 0.00 O ATOM 1605 CB ARG A 100 5.440 7.894 -9.632 1.00 0.00 C ATOM 1606 CG ARG A 100 5.477 7.904 -11.160 1.00 0.00 C ATOM 1607 CD ARG A 100 5.253 9.310 -11.716 1.00 0.00 C ATOM 1608 NE ARG A 100 5.591 9.352 -13.128 1.00 0.00 N ATOM 1609 CZ ARG A 100 5.915 10.536 -13.682 1.00 0.00 C ATOM 1610 NH1 ARG A 100 5.917 11.642 -12.942 1.00 0.00 N ATOM 1611 NH2 ARG A 100 6.233 10.600 -14.972 1.00 0.00 N ATOM 0 H ARG A 100 4.073 8.074 -7.013 1.00 0.00 H new ATOM 0 HA ARG A 100 3.597 8.957 -9.765 1.00 0.00 H new ATOM 0 HB2 ARG A 100 6.162 8.614 -9.246 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.742 6.912 -9.267 1.00 0.00 H new ATOM 0 HG2 ARG A 100 6.439 7.524 -11.504 1.00 0.00 H new ATOM 0 HG3 ARG A 100 4.712 7.232 -11.548 1.00 0.00 H new ATOM 0 HD2 ARG A 100 4.213 9.603 -11.575 1.00 0.00 H new ATOM 0 HD3 ARG A 100 5.863 10.027 -11.167 1.00 0.00 H new ATOM 0 HE ARG A 100 5.583 8.501 -13.690 1.00 0.00 H new ATOM 0 HH11 ARG A 100 5.673 11.594 -11.953 1.00 0.00 H new ATOM 0 HH12 ARG A 100 6.163 12.538 -13.364 1.00 0.00 H new ATOM 0 HH21 ARG A 100 6.231 9.753 -15.540 1.00 0.00 H new ATOM 0 HH22 ARG A 100 6.479 11.496 -15.393 1.00 0.00 H new ATOM 1625 N VAL A 101 2.531 6.715 -10.186 1.00 0.00 N ATOM 1626 CA VAL A 101 1.673 5.562 -10.263 1.00 0.00 C ATOM 1627 C VAL A 101 2.388 4.331 -9.707 1.00 0.00 C ATOM 1628 O VAL A 101 3.547 4.365 -9.313 1.00 0.00 O ATOM 1629 CB VAL A 101 1.364 5.315 -11.721 1.00 0.00 C ATOM 1630 CG1 VAL A 101 0.229 4.332 -11.852 1.00 0.00 C ATOM 1631 CG2 VAL A 101 1.026 6.625 -12.436 1.00 0.00 C ATOM 0 H VAL A 101 2.588 7.279 -11.034 1.00 0.00 H new ATOM 0 HA VAL A 101 0.766 5.739 -9.685 1.00 0.00 H new ATOM 0 HB VAL A 101 2.250 4.892 -12.194 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.015 4.162 -12.907 1.00 0.00 H new ATOM 0 HG12 VAL A 101 0.508 3.389 -11.382 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.658 4.733 -11.362 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.807 6.421 -13.484 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.155 7.082 -11.966 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.874 7.306 -12.368 1.00 0.00 H new ATOM 1641 N LEU A 102 1.596 3.250 -9.715 1.00 0.00 N ATOM 1642 CA LEU A 102 2.112 1.964 -9.293 1.00 0.00 C ATOM 1643 C LEU A 102 2.290 1.135 -10.547 1.00 0.00 C ATOM 1644 O LEU A 102 1.717 1.413 -11.593 1.00 0.00 O ATOM 1645 CB LEU A 102 1.124 1.274 -8.373 1.00 0.00 C ATOM 1646 CG LEU A 102 1.099 1.863 -6.960 1.00 0.00 C ATOM 1647 CD1 LEU A 102 1.149 3.388 -6.976 1.00 0.00 C ATOM 1648 CD2 LEU A 102 -0.158 1.395 -6.234 1.00 0.00 C ATOM 0 H LEU A 102 0.618 3.249 -10.004 1.00 0.00 H new ATOM 0 HA LEU A 102 3.051 2.085 -8.752 1.00 0.00 H new ATOM 0 HB2 LEU A 102 0.126 1.343 -8.806 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.373 0.214 -8.313 1.00 0.00 H new ATOM 0 HG LEU A 102 1.987 1.510 -6.436 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.129 3.763 -5.953 1.00 0.00 H new ATOM 0 HD12 LEU A 102 2.066 3.717 -7.466 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.288 3.775 -7.521 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -0.175 1.815 -5.228 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.040 1.728 -6.781 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -0.159 0.307 -6.173 1.00 0.00 H new ATOM 1660 N THR A 103 3.116 0.112 -10.379 1.00 0.00 N ATOM 1661 CA THR A 103 3.376 -0.725 -11.521 1.00 0.00 C ATOM 1662 C THR A 103 3.694 -2.158 -11.095 1.00 0.00 C ATOM 1663 O THR A 103 3.339 -3.120 -11.764 1.00 0.00 O ATOM 1664 CB THR A 103 4.551 -0.096 -12.269 1.00 0.00 C ATOM 1665 OG1 THR A 103 4.119 0.365 -13.524 1.00 0.00 O ATOM 1666 CG2 THR A 103 5.714 -1.059 -12.447 1.00 0.00 C ATOM 0 H THR A 103 3.590 -0.143 -9.512 1.00 0.00 H new ATOM 0 HA THR A 103 2.498 -0.786 -12.164 1.00 0.00 H new ATOM 0 HB THR A 103 4.912 0.736 -11.665 1.00 0.00 H new ATOM 0 HG1 THR A 103 4.873 0.769 -14.001 1.00 0.00 H new ATOM 0 HG21 THR A 103 6.521 -0.560 -12.984 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.073 -1.380 -11.469 1.00 0.00 H new ATOM 0 HG23 THR A 103 5.383 -1.928 -13.015 1.00 0.00 H new ATOM 1674 N VAL A 104 4.383 -2.235 -9.945 1.00 0.00 N ATOM 1675 CA VAL A 104 4.786 -3.571 -9.492 1.00 0.00 C ATOM 1676 C VAL A 104 4.667 -3.752 -7.975 1.00 0.00 C ATOM 1677 O VAL A 104 4.881 -2.832 -7.197 1.00 0.00 O ATOM 1678 CB VAL A 104 6.253 -3.760 -9.875 1.00 0.00 C ATOM 1679 CG1 VAL A 104 6.813 -5.077 -9.331 1.00 0.00 C ATOM 1680 CG2 VAL A 104 6.438 -3.723 -11.392 1.00 0.00 C ATOM 0 H VAL A 104 4.655 -1.451 -9.352 1.00 0.00 H new ATOM 0 HA VAL A 104 4.124 -4.299 -9.961 1.00 0.00 H new ATOM 0 HB VAL A 104 6.803 -2.933 -9.426 1.00 0.00 H new ATOM 0 HG11 VAL A 104 7.858 -5.176 -9.624 1.00 0.00 H new ATOM 0 HG12 VAL A 104 6.738 -5.083 -8.244 1.00 0.00 H new ATOM 0 HG13 VAL A 104 6.242 -5.911 -9.738 1.00 0.00 H new ATOM 0 HG21 VAL A 104 7.492 -3.860 -11.633 1.00 0.00 H new ATOM 0 HG22 VAL A 104 5.854 -4.522 -11.849 1.00 0.00 H new ATOM 0 HG23 VAL A 104 6.100 -2.761 -11.776 1.00 0.00 H new ATOM 1690 N PRO A 105 4.310 -5.017 -7.598 1.00 0.00 N ATOM 1691 CA PRO A 105 4.241 -5.425 -6.205 1.00 0.00 C ATOM 1692 C PRO A 105 5.660 -5.501 -5.638 1.00 0.00 C ATOM 1693 O PRO A 105 6.581 -5.974 -6.291 1.00 0.00 O ATOM 1694 CB PRO A 105 3.592 -6.808 -6.201 1.00 0.00 C ATOM 1695 CG PRO A 105 3.446 -7.238 -7.671 1.00 0.00 C ATOM 1696 CD PRO A 105 3.884 -6.047 -8.532 1.00 0.00 C ATOM 0 HA PRO A 105 3.669 -4.724 -5.597 1.00 0.00 H new ATOM 0 HB2 PRO A 105 4.205 -7.521 -5.649 1.00 0.00 H new ATOM 0 HB3 PRO A 105 2.620 -6.777 -5.709 1.00 0.00 H new ATOM 0 HG2 PRO A 105 4.062 -8.112 -7.880 1.00 0.00 H new ATOM 0 HG3 PRO A 105 2.415 -7.515 -7.891 1.00 0.00 H new ATOM 0 HD2 PRO A 105 4.697 -6.327 -9.202 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.063 -5.693 -9.156 1.00 0.00 H new ATOM 1704 N CYS A 106 5.782 -5.024 -4.396 1.00 0.00 N ATOM 1705 CA CYS A 106 7.114 -4.976 -3.825 1.00 0.00 C ATOM 1706 C CYS A 106 7.496 -6.237 -3.071 1.00 0.00 C ATOM 1707 O CYS A 106 8.491 -6.882 -3.376 1.00 0.00 O ATOM 1708 CB CYS A 106 7.211 -3.784 -2.899 1.00 0.00 C ATOM 1709 SG CYS A 106 8.817 -2.974 -2.996 1.00 0.00 S ATOM 0 H CYS A 106 5.023 -4.687 -3.804 1.00 0.00 H new ATOM 0 HA CYS A 106 7.814 -4.888 -4.656 1.00 0.00 H new ATOM 0 HB2 CYS A 106 6.429 -3.067 -3.150 1.00 0.00 H new ATOM 0 HB3 CYS A 106 7.031 -4.107 -1.874 1.00 0.00 H new ATOM 0 HG CYS A 106 9.688 -3.797 -3.499 1.00 0.00 H new ATOM 1715 N GLN A 107 6.666 -6.533 -2.060 1.00 0.00 N ATOM 1716 CA GLN A 107 6.966 -7.667 -1.234 1.00 0.00 C ATOM 1717 C GLN A 107 7.541 -8.811 -2.033 1.00 0.00 C ATOM 1718 O GLN A 107 7.427 -8.918 -3.248 1.00 0.00 O ATOM 1719 CB GLN A 107 5.730 -8.105 -0.507 1.00 0.00 C ATOM 1720 CG GLN A 107 6.028 -8.360 0.963 1.00 0.00 C ATOM 1721 CD GLN A 107 6.763 -9.689 1.143 1.00 0.00 C ATOM 1722 OE1 GLN A 107 6.520 -10.664 0.443 1.00 0.00 O ATOM 1723 NE2 GLN A 107 7.677 -9.653 2.130 1.00 0.00 N ATOM 0 H GLN A 107 5.821 -6.016 -1.816 1.00 0.00 H new ATOM 0 HA GLN A 107 7.725 -7.365 -0.512 1.00 0.00 H new ATOM 0 HB2 GLN A 107 4.959 -7.340 -0.599 1.00 0.00 H new ATOM 0 HB3 GLN A 107 5.336 -9.012 -0.965 1.00 0.00 H new ATOM 0 HG2 GLN A 107 6.634 -7.547 1.363 1.00 0.00 H new ATOM 0 HG3 GLN A 107 5.098 -8.373 1.531 1.00 0.00 H new ATOM 0 HE21 GLN A 107 7.816 -8.796 2.666 1.00 0.00 H new ATOM 0 HE22 GLN A 107 8.231 -10.483 2.342 1.00 0.00 H new ATOM 1732 N LYS A 108 8.154 -9.649 -1.217 1.00 0.00 N ATOM 1733 CA LYS A 108 8.820 -10.808 -1.735 1.00 0.00 C ATOM 1734 C LYS A 108 7.868 -11.924 -2.100 1.00 0.00 C ATOM 1735 O LYS A 108 6.650 -11.817 -2.026 1.00 0.00 O ATOM 1736 CB LYS A 108 9.783 -11.268 -0.671 1.00 0.00 C ATOM 1737 CG LYS A 108 10.996 -10.381 -0.713 1.00 0.00 C ATOM 1738 CD LYS A 108 11.815 -10.449 0.570 1.00 0.00 C ATOM 1739 CE LYS A 108 12.416 -11.838 0.786 1.00 0.00 C ATOM 1740 NZ LYS A 108 13.274 -12.250 -0.318 1.00 0.00 N ATOM 0 H LYS A 108 8.199 -9.542 -0.204 1.00 0.00 H new ATOM 0 HA LYS A 108 9.331 -10.544 -2.661 1.00 0.00 H new ATOM 0 HB2 LYS A 108 9.313 -11.222 0.311 1.00 0.00 H new ATOM 0 HB3 LYS A 108 10.067 -12.307 -0.840 1.00 0.00 H new ATOM 0 HG2 LYS A 108 11.624 -10.669 -1.556 1.00 0.00 H new ATOM 0 HG3 LYS A 108 10.683 -9.351 -0.886 1.00 0.00 H new ATOM 0 HD2 LYS A 108 12.614 -9.709 0.531 1.00 0.00 H new ATOM 0 HD3 LYS A 108 11.183 -10.190 1.419 1.00 0.00 H new ATOM 0 HE2 LYS A 108 12.992 -11.842 1.711 1.00 0.00 H new ATOM 0 HE3 LYS A 108 11.612 -12.564 0.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 13.851 -13.064 -0.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 12.686 -12.518 -1.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 13.898 -11.462 -0.586 1.00 0.00 H new ATOM 1754 N ILE A 109 8.548 -13.007 -2.502 1.00 0.00 N ATOM 1755 CA ILE A 109 7.814 -14.193 -2.903 1.00 0.00 C ATOM 1756 C ILE A 109 8.719 -15.415 -2.781 1.00 0.00 C ATOM 1757 O ILE A 109 8.408 -16.392 -2.111 1.00 0.00 O ATOM 1758 CB ILE A 109 7.323 -14.023 -4.341 1.00 0.00 C ATOM 1759 CG1 ILE A 109 6.476 -15.225 -4.759 1.00 0.00 C ATOM 1760 CG2 ILE A 109 8.497 -13.840 -5.304 1.00 0.00 C ATOM 1761 CD1 ILE A 109 6.063 -15.137 -6.229 1.00 0.00 C ATOM 0 H ILE A 109 9.564 -13.078 -2.554 1.00 0.00 H new ATOM 0 HA ILE A 109 6.950 -14.334 -2.254 1.00 0.00 H new ATOM 0 HB ILE A 109 6.706 -13.125 -4.384 1.00 0.00 H new ATOM 0 HG12 ILE A 109 7.039 -16.143 -4.593 1.00 0.00 H new ATOM 0 HG13 ILE A 109 5.586 -15.279 -4.133 1.00 0.00 H new ATOM 0 HG21 ILE A 109 8.119 -13.721 -6.320 1.00 0.00 H new ATOM 0 HG22 ILE A 109 9.064 -12.953 -5.022 1.00 0.00 H new ATOM 0 HG23 ILE A 109 9.145 -14.715 -5.258 1.00 0.00 H new ATOM 0 HD11 ILE A 109 5.462 -16.008 -6.491 1.00 0.00 H new ATOM 0 HD12 ILE A 109 5.478 -14.231 -6.389 1.00 0.00 H new ATOM 0 HD13 ILE A 109 6.954 -15.109 -6.856 1.00 0.00 H new ATOM 1773 N GLY A 110 9.858 -15.281 -3.473 1.00 0.00 N ATOM 1774 CA GLY A 110 10.821 -16.364 -3.450 1.00 0.00 C ATOM 1775 C GLY A 110 12.112 -15.938 -2.749 1.00 0.00 C ATOM 1776 O GLY A 110 12.171 -15.790 -1.535 1.00 0.00 O ATOM 0 H GLY A 110 10.119 -14.467 -4.030 1.00 0.00 H new ATOM 0 HA2 GLY A 110 10.392 -17.225 -2.937 1.00 0.00 H new ATOM 0 HA3 GLY A 110 11.044 -16.678 -4.470 1.00 0.00 H new ATOM 1780 N THR A 111 13.136 -15.754 -3.602 1.00 0.00 N ATOM 1781 CA THR A 111 14.422 -15.348 -3.066 1.00 0.00 C ATOM 1782 C THR A 111 14.503 -13.826 -3.023 1.00 0.00 C ATOM 1783 O THR A 111 14.911 -13.225 -2.037 1.00 0.00 O ATOM 1784 CB THR A 111 15.540 -15.920 -3.939 1.00 0.00 C ATOM 1785 OG1 THR A 111 16.748 -15.905 -3.219 1.00 0.00 O ATOM 1786 CG2 THR A 111 15.710 -15.133 -5.238 1.00 0.00 C ATOM 0 H THR A 111 13.094 -15.876 -4.614 1.00 0.00 H new ATOM 0 HA THR A 111 14.536 -15.731 -2.052 1.00 0.00 H new ATOM 0 HB THR A 111 15.268 -16.942 -4.203 1.00 0.00 H new ATOM 0 HG1 THR A 111 17.465 -16.273 -3.776 1.00 0.00 H new ATOM 0 HG21 THR A 111 16.514 -15.573 -5.828 1.00 0.00 H new ATOM 0 HG22 THR A 111 14.782 -15.167 -5.808 1.00 0.00 H new ATOM 0 HG23 THR A 111 15.956 -14.097 -5.006 1.00 0.00 H new ATOM 1794 N GLN A 112 14.085 -13.252 -4.161 1.00 0.00 N ATOM 1795 CA GLN A 112 14.118 -11.821 -4.267 1.00 0.00 C ATOM 1796 C GLN A 112 12.839 -11.324 -4.944 1.00 0.00 C ATOM 1797 O GLN A 112 12.004 -10.735 -4.260 1.00 0.00 O ATOM 1798 CB GLN A 112 15.342 -11.430 -5.082 1.00 0.00 C ATOM 1799 CG GLN A 112 16.581 -11.307 -4.197 1.00 0.00 C ATOM 1800 CD GLN A 112 17.763 -10.799 -5.023 1.00 0.00 C ATOM 1801 OE1 GLN A 112 18.268 -11.472 -5.914 1.00 0.00 O ATOM 1802 NE2 GLN A 112 18.165 -9.567 -4.663 1.00 0.00 N ATOM 1803 OXT GLN A 112 12.693 -11.532 -6.147 1.00 0.00 O ATOM 0 H GLN A 112 13.736 -13.749 -4.980 1.00 0.00 H new ATOM 0 HA GLN A 112 14.178 -11.367 -3.278 1.00 0.00 H new ATOM 0 HB2 GLN A 112 15.519 -12.175 -5.857 1.00 0.00 H new ATOM 0 HB3 GLN A 112 15.158 -10.482 -5.587 1.00 0.00 H new ATOM 0 HG2 GLN A 112 16.382 -10.623 -3.372 1.00 0.00 H new ATOM 0 HG3 GLN A 112 16.822 -12.275 -3.758 1.00 0.00 H new ATOM 0 HE21 GLN A 112 17.687 -9.075 -3.908 1.00 0.00 H new ATOM 0 HE22 GLN A 112 18.947 -9.125 -5.145 1.00 0.00 H new TER 1812 GLN A 112 HETATM 1813 C ACE B 0 4.923 10.295 9.266 1.00 0.00 C HETATM 1814 O ACE B 0 5.071 11.273 8.543 1.00 0.00 O HETATM 1815 CH3 ACE B 0 3.936 10.289 10.428 1.00 0.00 C HETATM 0 H1 ACE B 0 3.199 9.500 10.275 1.00 0.00 H new HETATM 0 H2 ACE B 0 4.472 10.109 11.360 1.00 0.00 H new HETATM 0 H3 ACE B 0 3.430 11.253 10.481 1.00 0.00 H new ATOM 1819 N THR B 1 5.576 9.130 9.137 1.00 0.00 N ATOM 1820 CA THR B 1 6.365 8.912 7.944 1.00 0.00 C ATOM 1821 C THR B 1 5.428 8.612 6.779 1.00 0.00 C ATOM 1822 O THR B 1 5.153 7.466 6.444 1.00 0.00 O ATOM 1823 CB THR B 1 7.319 7.746 8.176 1.00 0.00 C ATOM 1824 OG1 THR B 1 8.568 8.235 8.608 1.00 0.00 O ATOM 1825 CG2 THR B 1 7.507 6.903 6.915 1.00 0.00 C ATOM 0 H THR B 1 5.569 8.367 9.814 1.00 0.00 H new ATOM 0 HA THR B 1 6.951 9.801 7.711 1.00 0.00 H new ATOM 0 HB THR B 1 6.881 7.106 8.942 1.00 0.00 H new ATOM 0 HG1 THR B 1 9.179 7.484 8.758 1.00 0.00 H new ATOM 0 HG21 THR B 1 8.194 6.083 7.124 1.00 0.00 H new ATOM 0 HG22 THR B 1 6.545 6.499 6.601 1.00 0.00 H new ATOM 0 HG23 THR B 1 7.916 7.525 6.119 1.00 0.00 H new HETATM 1833 N PTR B 2 4.931 9.707 6.201 1.00 0.00 N HETATM 1834 CA PTR B 2 4.025 9.515 5.089 1.00 0.00 C HETATM 1835 C PTR B 2 4.136 10.622 4.066 1.00 0.00 C HETATM 1836 O PTR B 2 3.828 11.781 4.313 1.00 0.00 O HETATM 1837 CB PTR B 2 2.602 9.411 5.609 1.00 0.00 C HETATM 1838 CG PTR B 2 2.534 8.234 6.500 1.00 0.00 C HETATM 1839 CD1 PTR B 2 2.368 6.942 5.950 1.00 0.00 C HETATM 1840 CD2 PTR B 2 2.796 8.384 7.881 1.00 0.00 C HETATM 1841 CE1 PTR B 2 2.471 5.811 6.765 1.00 0.00 C HETATM 1842 CE2 PTR B 2 2.905 7.258 8.704 1.00 0.00 C HETATM 1843 CZ PTR B 2 2.740 5.972 8.142 1.00 0.00 C HETATM 1844 OH PTR B 2 2.848 4.835 8.958 1.00 0.00 O HETATM 1845 P PTR B 2 2.475 4.961 10.470 1.00 0.00 P HETATM 1846 O1P PTR B 2 1.242 5.900 10.492 1.00 0.00 O HETATM 1847 O2P PTR B 2 3.681 5.692 11.112 1.00 0.00 O HETATM 1848 O3P PTR B 2 2.199 3.633 11.109 1.00 0.00 O HETATM 0 HE2 PTR B 2 3.115 7.371 9.768 1.00 0.00 H new HETATM 0 HE1 PTR B 2 2.345 4.814 6.342 1.00 0.00 H new HETATM 0 HD2 PTR B 2 2.914 9.381 8.306 1.00 0.00 H new HETATM 0 HD1 PTR B 2 2.159 6.827 4.886 1.00 0.00 H new HETATM 0 HB3 PTR B 2 2.325 10.316 6.149 1.00 0.00 H new HETATM 0 HB2 PTR B 2 1.899 9.306 4.782 1.00 0.00 H new HETATM 0 HA PTR B 2 4.301 8.589 4.585 1.00 0.00 H new HETATM 0 H PTR B 2 5.545 10.521 6.224 1.00 0.00 H new ATOM 1857 N GLU B 3 4.597 10.167 2.896 1.00 0.00 N ATOM 1858 CA GLU B 3 4.710 11.096 1.801 1.00 0.00 C ATOM 1859 C GLU B 3 3.378 11.802 1.646 1.00 0.00 C ATOM 1860 O GLU B 3 2.428 11.536 2.374 1.00 0.00 O ATOM 1861 CB GLU B 3 5.080 10.356 0.546 1.00 0.00 C ATOM 1862 CG GLU B 3 6.570 10.074 0.520 1.00 0.00 C ATOM 1863 CD GLU B 3 7.369 11.358 0.764 1.00 0.00 C ATOM 1864 OE1 GLU B 3 7.010 12.389 0.198 1.00 0.00 O ATOM 1865 OE2 GLU B 3 8.339 11.311 1.518 1.00 0.00 O ATOM 0 H GLU B 3 4.882 9.207 2.701 1.00 0.00 H new ATOM 0 HA GLU B 3 5.490 11.832 1.995 1.00 0.00 H new ATOM 0 HB2 GLU B 3 4.525 9.420 0.491 1.00 0.00 H new ATOM 0 HB3 GLU B 3 4.799 10.945 -0.327 1.00 0.00 H new ATOM 0 HG2 GLU B 3 6.819 9.335 1.282 1.00 0.00 H new ATOM 0 HG3 GLU B 3 6.847 9.645 -0.443 1.00 0.00 H new ATOM 1872 N THR B 4 3.352 12.712 0.664 1.00 0.00 N ATOM 1873 CA THR B 4 2.113 13.424 0.470 1.00 0.00 C ATOM 1874 C THR B 4 1.460 13.029 -0.838 1.00 0.00 C ATOM 1875 O THR B 4 1.886 13.374 -1.934 1.00 0.00 O ATOM 1876 CB THR B 4 2.364 14.922 0.534 1.00 0.00 C ATOM 1877 OG1 THR B 4 3.656 15.207 0.049 1.00 0.00 O ATOM 1878 CG2 THR B 4 2.222 15.458 1.957 1.00 0.00 C ATOM 0 H THR B 4 4.122 12.952 0.039 1.00 0.00 H new ATOM 0 HA THR B 4 1.423 13.155 1.270 1.00 0.00 H new ATOM 0 HB THR B 4 1.615 15.414 -0.086 1.00 0.00 H new ATOM 0 HG1 THR B 4 3.815 16.173 0.090 1.00 0.00 H new ATOM 0 HG21 THR B 4 2.409 16.532 1.962 1.00 0.00 H new ATOM 0 HG22 THR B 4 1.213 15.264 2.320 1.00 0.00 H new ATOM 0 HG23 THR B 4 2.943 14.962 2.606 1.00 0.00 H new ATOM 1886 N LEU B 5 0.384 12.274 -0.606 1.00 0.00 N ATOM 1887 CA LEU B 5 -0.402 11.781 -1.693 1.00 0.00 C ATOM 1888 C LEU B 5 -1.177 12.944 -2.320 1.00 0.00 C ATOM 1889 O LEU B 5 -0.826 14.108 -2.168 1.00 0.00 O ATOM 1890 CB LEU B 5 -1.336 10.719 -1.138 1.00 0.00 C ATOM 1891 CG LEU B 5 -1.103 9.416 -1.862 1.00 0.00 C ATOM 1892 CD1 LEU B 5 -1.751 8.258 -1.145 1.00 0.00 C ATOM 1893 CD2 LEU B 5 -1.660 9.521 -3.253 1.00 0.00 C ATOM 0 H LEU B 5 0.055 12.004 0.321 1.00 0.00 H new ATOM 0 HA LEU B 5 0.219 11.340 -2.473 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -1.163 10.590 -0.070 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -2.373 11.033 -1.257 1.00 0.00 H new ATOM 0 HG LEU B 5 -0.030 9.230 -1.895 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -1.562 7.337 -1.696 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -1.335 8.173 -0.141 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -2.826 8.427 -1.079 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -1.495 8.583 -3.783 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -2.729 9.726 -3.202 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -1.160 10.330 -3.785 1.00 0.00 H new HETATM 1905 N NH2 B 6 -2.251 12.552 -3.030 1.00 0.00 N TER 1908 NH2 B 6