USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 700 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 THR OG1 : rot 47:sc= -0.331! USER MOD Set 1.2: A 17 SER OG : rot 101:sc= -2.34! USER MOD Single : A 1 VAL N :NH3+ -168:sc= -0.669 (180deg=-1.39) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.51! USER MOD Single : A 21 SER OG : rot 180:sc= -0.0404 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0943 USER MOD Single : A 31 TYR OH : rot 0:sc= 0.542 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 1:sc= 0.364! USER MOD Single : A 36 TYR OH : rot -179:sc= 0.237 USER MOD Single : A 39 THR OG1 : rot -66:sc= 0.921 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 93:sc= 0.705 USER MOD Single : A 46 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.0017) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0594 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 123:sc= 1.48 USER MOD Single : A 63 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00241) USER MOD Single : A 68 TYR OH : rot 30:sc= -0.0762 USER MOD Single : A 69 THR OG1 : rot -120:sc= -0.591 USER MOD Single : A 71 THR OG1 : rot 180:sc= -1.74 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot -180:sc= 0.691 USER MOD Single : A 81 SER OG : rot 180:sc= -0.441 USER MOD Single : A 84 SER OG : rot 70:sc= 1.07 USER MOD Single : A 85 SER OG : rot -103:sc= -3.83! USER MOD Single : A 86 LYS NZ :NH3+ -167:sc=-0.00173 (180deg=-0.125) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.56 X(o=-0.56,f=-0.13) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 5.004 20.390 -7.592 1.00 0.00 N ATOM 2 CA VAL A 1 5.298 19.792 -8.916 1.00 0.00 C ATOM 3 C VAL A 1 5.376 18.277 -8.801 1.00 0.00 C ATOM 4 O VAL A 1 5.332 17.572 -9.792 1.00 0.00 O ATOM 5 CB VAL A 1 6.647 20.312 -9.436 1.00 0.00 C ATOM 6 CG1 VAL A 1 6.644 20.283 -10.965 1.00 0.00 C ATOM 7 CG2 VAL A 1 6.845 21.753 -8.960 1.00 0.00 C ATOM 0 H1 VAL A 1 4.753 21.392 -7.712 1.00 0.00 H new ATOM 0 H2 VAL A 1 4.209 19.884 -7.151 1.00 0.00 H new ATOM 0 H3 VAL A 1 5.843 20.314 -6.983 1.00 0.00 H new ATOM 0 HA VAL A 1 4.500 20.069 -9.604 1.00 0.00 H new ATOM 0 HB VAL A 1 7.454 19.684 -9.059 1.00 0.00 H new ATOM 0 HG11 VAL A 1 7.600 20.651 -11.338 1.00 0.00 H new ATOM 0 HG12 VAL A 1 6.490 19.260 -11.309 1.00 0.00 H new ATOM 0 HG13 VAL A 1 5.840 20.917 -11.339 1.00 0.00 H new ATOM 0 HG21 VAL A 1 7.801 22.129 -9.325 1.00 0.00 H new ATOM 0 HG22 VAL A 1 6.039 22.377 -9.345 1.00 0.00 H new ATOM 0 HG23 VAL A 1 6.837 21.781 -7.870 1.00 0.00 H new ATOM 19 N SER A 2 5.492 17.799 -7.593 1.00 0.00 N ATOM 20 CA SER A 2 5.573 16.331 -7.398 1.00 0.00 C ATOM 21 C SER A 2 4.216 15.684 -7.647 1.00 0.00 C ATOM 22 O SER A 2 3.299 15.842 -6.865 1.00 0.00 O ATOM 23 CB SER A 2 5.996 16.057 -5.947 1.00 0.00 C ATOM 24 OG SER A 2 6.972 15.031 -6.056 1.00 0.00 O ATOM 0 H SER A 2 5.534 18.359 -6.741 1.00 0.00 H new ATOM 0 HA SER A 2 6.296 15.914 -8.099 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.408 16.950 -5.477 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.149 15.738 -5.339 1.00 0.00 H new ATOM 0 HG SER A 2 7.300 14.795 -5.163 1.00 0.00 H new ATOM 30 N ASP A 3 4.114 14.965 -8.729 1.00 0.00 N ATOM 31 CA ASP A 3 2.825 14.303 -9.041 1.00 0.00 C ATOM 32 C ASP A 3 3.054 12.987 -9.779 1.00 0.00 C ATOM 33 O ASP A 3 2.122 12.258 -10.056 1.00 0.00 O ATOM 34 CB ASP A 3 2.007 15.245 -9.941 1.00 0.00 C ATOM 35 CG ASP A 3 0.761 15.713 -9.184 1.00 0.00 C ATOM 36 OD1 ASP A 3 0.896 16.694 -8.470 1.00 0.00 O ATOM 37 OD2 ASP A 3 -0.257 15.065 -9.365 1.00 0.00 O ATOM 0 H ASP A 3 4.863 14.810 -9.404 1.00 0.00 H new ATOM 0 HA ASP A 3 2.297 14.090 -8.112 1.00 0.00 H new ATOM 0 HB2 ASP A 3 2.612 16.103 -10.234 1.00 0.00 H new ATOM 0 HB3 ASP A 3 1.718 14.731 -10.858 1.00 0.00 H new ATOM 42 N VAL A 4 4.294 12.710 -10.084 1.00 0.00 N ATOM 43 CA VAL A 4 4.612 11.451 -10.803 1.00 0.00 C ATOM 44 C VAL A 4 5.113 10.373 -9.802 1.00 0.00 C ATOM 45 O VAL A 4 6.056 10.623 -9.079 1.00 0.00 O ATOM 46 CB VAL A 4 5.756 11.758 -11.789 1.00 0.00 C ATOM 47 CG1 VAL A 4 6.378 10.449 -12.285 1.00 0.00 C ATOM 48 CG2 VAL A 4 5.199 12.535 -12.981 1.00 0.00 C ATOM 0 H VAL A 4 5.095 13.302 -9.865 1.00 0.00 H new ATOM 0 HA VAL A 4 3.723 11.081 -11.314 1.00 0.00 H new ATOM 0 HB VAL A 4 6.518 12.351 -11.284 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.186 10.671 -12.982 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.773 9.890 -11.437 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.618 9.853 -12.790 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.005 12.754 -13.681 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.437 11.937 -13.481 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.757 13.468 -12.632 1.00 0.00 H new ATOM 58 N PRO A 5 4.482 9.180 -9.758 1.00 0.00 N ATOM 59 CA PRO A 5 4.935 8.154 -8.829 1.00 0.00 C ATOM 60 C PRO A 5 6.420 7.846 -9.037 1.00 0.00 C ATOM 61 O PRO A 5 6.990 8.210 -10.048 1.00 0.00 O ATOM 62 CB PRO A 5 4.071 6.912 -9.139 1.00 0.00 C ATOM 63 CG PRO A 5 3.013 7.339 -10.204 1.00 0.00 C ATOM 64 CD PRO A 5 3.320 8.797 -10.592 1.00 0.00 C ATOM 0 HA PRO A 5 4.829 8.474 -7.792 1.00 0.00 H new ATOM 0 HB2 PRO A 5 4.690 6.098 -9.516 1.00 0.00 H new ATOM 0 HB3 PRO A 5 3.582 6.548 -8.235 1.00 0.00 H new ATOM 0 HG2 PRO A 5 3.063 6.690 -11.078 1.00 0.00 H new ATOM 0 HG3 PRO A 5 2.004 7.253 -9.800 1.00 0.00 H new ATOM 0 HD2 PRO A 5 3.551 8.882 -11.654 1.00 0.00 H new ATOM 0 HD3 PRO A 5 2.465 9.445 -10.399 1.00 0.00 H new ATOM 72 N ARG A 6 7.026 7.182 -8.081 1.00 0.00 N ATOM 73 CA ARG A 6 8.478 6.859 -8.236 1.00 0.00 C ATOM 74 C ARG A 6 8.946 5.793 -7.235 1.00 0.00 C ATOM 75 O ARG A 6 8.269 5.492 -6.275 1.00 0.00 O ATOM 76 CB ARG A 6 9.274 8.152 -7.973 1.00 0.00 C ATOM 77 CG ARG A 6 8.827 8.737 -6.629 1.00 0.00 C ATOM 78 CD ARG A 6 9.649 9.987 -6.301 1.00 0.00 C ATOM 79 NE ARG A 6 9.384 10.365 -4.880 1.00 0.00 N ATOM 80 CZ ARG A 6 9.713 11.556 -4.452 1.00 0.00 C ATOM 81 NH1 ARG A 6 10.870 12.053 -4.792 1.00 0.00 N ATOM 82 NH2 ARG A 6 8.874 12.204 -3.691 1.00 0.00 N ATOM 0 H ARG A 6 6.589 6.856 -7.219 1.00 0.00 H new ATOM 0 HA ARG A 6 8.640 6.468 -9.240 1.00 0.00 H new ATOM 0 HB2 ARG A 6 10.343 7.941 -7.957 1.00 0.00 H new ATOM 0 HB3 ARG A 6 9.103 8.871 -8.774 1.00 0.00 H new ATOM 0 HG2 ARG A 6 7.767 8.989 -6.667 1.00 0.00 H new ATOM 0 HG3 ARG A 6 8.950 7.994 -5.841 1.00 0.00 H new ATOM 0 HD2 ARG A 6 10.711 9.793 -6.450 1.00 0.00 H new ATOM 0 HD3 ARG A 6 9.378 10.805 -6.968 1.00 0.00 H new ATOM 0 HE ARG A 6 8.948 9.696 -4.246 1.00 0.00 H new ATOM 0 HH11 ARG A 6 11.503 11.514 -5.383 1.00 0.00 H new ATOM 0 HH12 ARG A 6 11.142 12.981 -4.467 1.00 0.00 H new ATOM 0 HH21 ARG A 6 7.981 11.780 -3.441 1.00 0.00 H new ATOM 0 HH22 ARG A 6 9.112 13.134 -3.347 1.00 0.00 H new ATOM 96 N ASP A 7 10.115 5.252 -7.494 1.00 0.00 N ATOM 97 CA ASP A 7 10.677 4.205 -6.591 1.00 0.00 C ATOM 98 C ASP A 7 9.647 3.136 -6.235 1.00 0.00 C ATOM 99 O ASP A 7 9.187 3.069 -5.113 1.00 0.00 O ATOM 100 CB ASP A 7 11.146 4.882 -5.296 1.00 0.00 C ATOM 101 CG ASP A 7 12.042 3.914 -4.518 1.00 0.00 C ATOM 102 OD1 ASP A 7 13.125 3.658 -5.019 1.00 0.00 O ATOM 103 OD2 ASP A 7 11.593 3.485 -3.467 1.00 0.00 O ATOM 0 H ASP A 7 10.701 5.493 -8.293 1.00 0.00 H new ATOM 0 HA ASP A 7 11.500 3.717 -7.112 1.00 0.00 H new ATOM 0 HB2 ASP A 7 11.692 5.796 -5.527 1.00 0.00 H new ATOM 0 HB3 ASP A 7 10.287 5.169 -4.689 1.00 0.00 H new ATOM 108 N LEU A 8 9.307 2.318 -7.198 1.00 0.00 N ATOM 109 CA LEU A 8 8.307 1.242 -6.934 1.00 0.00 C ATOM 110 C LEU A 8 9.009 -0.096 -6.722 1.00 0.00 C ATOM 111 O LEU A 8 9.761 -0.536 -7.568 1.00 0.00 O ATOM 112 CB LEU A 8 7.392 1.116 -8.167 1.00 0.00 C ATOM 113 CG LEU A 8 6.128 1.953 -7.955 1.00 0.00 C ATOM 114 CD1 LEU A 8 6.509 3.431 -7.892 1.00 0.00 C ATOM 115 CD2 LEU A 8 5.176 1.732 -9.128 1.00 0.00 C ATOM 0 H LEU A 8 9.676 2.348 -8.149 1.00 0.00 H new ATOM 0 HA LEU A 8 7.736 1.495 -6.041 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.919 1.454 -9.060 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.126 0.072 -8.330 1.00 0.00 H new ATOM 0 HG LEU A 8 5.643 1.656 -7.025 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.612 4.032 -7.741 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.199 3.594 -7.064 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.989 3.723 -8.826 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.274 2.326 -8.981 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.664 2.035 -10.054 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.910 0.677 -9.187 1.00 0.00 H new ATOM 127 N GLU A 9 8.757 -0.730 -5.600 1.00 0.00 N ATOM 128 CA GLU A 9 9.426 -2.039 -5.360 1.00 0.00 C ATOM 129 C GLU A 9 8.859 -2.766 -4.140 1.00 0.00 C ATOM 130 O GLU A 9 8.075 -2.216 -3.382 1.00 0.00 O ATOM 131 CB GLU A 9 10.925 -1.778 -5.121 1.00 0.00 C ATOM 132 CG GLU A 9 11.110 -1.078 -3.770 1.00 0.00 C ATOM 133 CD GLU A 9 12.450 -0.337 -3.765 1.00 0.00 C ATOM 134 OE1 GLU A 9 13.431 -0.991 -3.449 1.00 0.00 O ATOM 135 OE2 GLU A 9 12.418 0.842 -4.078 1.00 0.00 O ATOM 0 H GLU A 9 8.134 -0.405 -4.861 1.00 0.00 H new ATOM 0 HA GLU A 9 9.257 -2.670 -6.232 1.00 0.00 H new ATOM 0 HB2 GLU A 9 11.476 -2.718 -5.134 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.330 -1.160 -5.922 1.00 0.00 H new ATOM 0 HG2 GLU A 9 10.293 -0.378 -3.595 1.00 0.00 H new ATOM 0 HG3 GLU A 9 11.082 -1.809 -2.962 1.00 0.00 H new ATOM 142 N VAL A 10 9.268 -4.006 -3.987 1.00 0.00 N ATOM 143 CA VAL A 10 8.788 -4.813 -2.838 1.00 0.00 C ATOM 144 C VAL A 10 9.708 -4.614 -1.643 1.00 0.00 C ATOM 145 O VAL A 10 10.886 -4.367 -1.812 1.00 0.00 O ATOM 146 CB VAL A 10 8.823 -6.292 -3.247 1.00 0.00 C ATOM 147 CG1 VAL A 10 8.066 -7.124 -2.209 1.00 0.00 C ATOM 148 CG2 VAL A 10 8.147 -6.450 -4.610 1.00 0.00 C ATOM 0 H VAL A 10 9.914 -4.486 -4.614 1.00 0.00 H new ATOM 0 HA VAL A 10 7.778 -4.506 -2.567 1.00 0.00 H new ATOM 0 HB VAL A 10 9.857 -6.633 -3.305 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.090 -8.175 -2.498 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.537 -7.005 -1.233 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.031 -6.786 -2.156 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.168 -7.498 -4.907 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.113 -6.112 -4.545 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.678 -5.852 -5.351 1.00 0.00 H new ATOM 158 N VAL A 11 9.158 -4.721 -0.455 1.00 0.00 N ATOM 159 CA VAL A 11 10.000 -4.538 0.760 1.00 0.00 C ATOM 160 C VAL A 11 9.814 -5.679 1.755 1.00 0.00 C ATOM 161 O VAL A 11 10.513 -5.752 2.746 1.00 0.00 O ATOM 162 CB VAL A 11 9.588 -3.218 1.433 1.00 0.00 C ATOM 163 CG1 VAL A 11 8.088 -3.247 1.740 1.00 0.00 C ATOM 164 CG2 VAL A 11 10.369 -3.051 2.740 1.00 0.00 C ATOM 0 H VAL A 11 8.174 -4.925 -0.280 1.00 0.00 H new ATOM 0 HA VAL A 11 11.048 -4.524 0.459 1.00 0.00 H new ATOM 0 HB VAL A 11 9.807 -2.385 0.765 1.00 0.00 H new ATOM 0 HG11 VAL A 11 7.796 -2.311 2.217 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.529 -3.371 0.812 1.00 0.00 H new ATOM 0 HG13 VAL A 11 7.870 -4.079 2.409 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.080 -2.116 3.220 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.147 -3.885 3.406 1.00 0.00 H new ATOM 0 HG23 VAL A 11 11.438 -3.033 2.526 1.00 0.00 H new ATOM 174 N ALA A 12 8.885 -6.554 1.483 1.00 0.00 N ATOM 175 CA ALA A 12 8.671 -7.683 2.427 1.00 0.00 C ATOM 176 C ALA A 12 7.715 -8.726 1.856 1.00 0.00 C ATOM 177 O ALA A 12 6.964 -8.454 0.940 1.00 0.00 O ATOM 178 CB ALA A 12 8.066 -7.117 3.721 1.00 0.00 C ATOM 0 H ALA A 12 8.277 -6.537 0.665 1.00 0.00 H new ATOM 0 HA ALA A 12 9.630 -8.169 2.610 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.900 -7.928 4.430 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.752 -6.390 4.156 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.116 -6.631 3.497 1.00 0.00 H new ATOM 184 N ALA A 13 7.764 -9.906 2.420 1.00 0.00 N ATOM 185 CA ALA A 13 6.875 -10.991 1.938 1.00 0.00 C ATOM 186 C ALA A 13 6.519 -11.947 3.077 1.00 0.00 C ATOM 187 O ALA A 13 7.325 -12.192 3.954 1.00 0.00 O ATOM 188 CB ALA A 13 7.618 -11.783 0.847 1.00 0.00 C ATOM 0 H ALA A 13 8.382 -10.159 3.191 1.00 0.00 H new ATOM 0 HA ALA A 13 5.958 -10.550 1.548 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.978 -12.586 0.481 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.872 -11.117 0.023 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.531 -12.208 1.264 1.00 0.00 H new ATOM 194 N THR A 14 5.315 -12.468 3.033 1.00 0.00 N ATOM 195 CA THR A 14 4.870 -13.413 4.096 1.00 0.00 C ATOM 196 C THR A 14 4.260 -14.676 3.454 1.00 0.00 C ATOM 197 O THR A 14 3.875 -14.655 2.300 1.00 0.00 O ATOM 198 CB THR A 14 3.796 -12.706 4.943 1.00 0.00 C ATOM 199 OG1 THR A 14 3.417 -11.574 4.193 1.00 0.00 O ATOM 200 CG2 THR A 14 4.405 -12.118 6.230 1.00 0.00 C ATOM 0 H THR A 14 4.625 -12.277 2.306 1.00 0.00 H new ATOM 0 HA THR A 14 5.718 -13.706 4.715 1.00 0.00 H new ATOM 0 HB THR A 14 2.998 -13.409 5.182 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.255 -11.837 3.263 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.625 -11.624 6.809 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.845 -12.919 6.823 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.177 -11.393 5.969 1.00 0.00 H new ATOM 208 N PRO A 15 4.174 -15.762 4.221 1.00 0.00 N ATOM 209 CA PRO A 15 3.613 -17.011 3.707 1.00 0.00 C ATOM 210 C PRO A 15 2.211 -16.810 3.138 1.00 0.00 C ATOM 211 O PRO A 15 1.666 -17.692 2.504 1.00 0.00 O ATOM 212 CB PRO A 15 3.546 -17.950 4.930 1.00 0.00 C ATOM 213 CG PRO A 15 4.141 -17.176 6.145 1.00 0.00 C ATOM 214 CD PRO A 15 4.603 -15.805 5.630 1.00 0.00 C ATOM 0 HA PRO A 15 4.222 -17.408 2.895 1.00 0.00 H new ATOM 0 HB2 PRO A 15 2.516 -18.246 5.131 1.00 0.00 H new ATOM 0 HB3 PRO A 15 4.110 -18.864 4.744 1.00 0.00 H new ATOM 0 HG2 PRO A 15 3.394 -17.060 6.930 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.977 -17.725 6.579 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.153 -14.995 6.204 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.684 -15.695 5.717 1.00 0.00 H new ATOM 222 N THR A 16 1.654 -15.655 3.371 1.00 0.00 N ATOM 223 CA THR A 16 0.291 -15.387 2.848 1.00 0.00 C ATOM 224 C THR A 16 0.022 -13.893 2.777 1.00 0.00 C ATOM 225 O THR A 16 -1.033 -13.431 3.162 1.00 0.00 O ATOM 226 CB THR A 16 -0.732 -16.026 3.800 1.00 0.00 C ATOM 227 OG1 THR A 16 -0.123 -17.213 4.264 1.00 0.00 O ATOM 228 CG2 THR A 16 -1.974 -16.504 3.030 1.00 0.00 C ATOM 0 H THR A 16 2.081 -14.892 3.897 1.00 0.00 H new ATOM 0 HA THR A 16 0.209 -15.806 1.845 1.00 0.00 H new ATOM 0 HB THR A 16 -1.014 -15.309 4.572 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.729 -17.672 4.882 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.683 -16.953 3.726 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.442 -15.655 2.532 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.678 -17.244 2.286 1.00 0.00 H new ATOM 236 N SER A 17 0.984 -13.156 2.288 1.00 0.00 N ATOM 237 CA SER A 17 0.792 -11.688 2.188 1.00 0.00 C ATOM 238 C SER A 17 2.044 -11.003 1.659 1.00 0.00 C ATOM 239 O SER A 17 3.141 -11.472 1.866 1.00 0.00 O ATOM 240 CB SER A 17 0.488 -11.135 3.591 1.00 0.00 C ATOM 241 OG SER A 17 0.958 -12.140 4.476 1.00 0.00 O ATOM 0 H SER A 17 1.883 -13.506 1.958 1.00 0.00 H new ATOM 0 HA SER A 17 -0.030 -11.492 1.500 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.995 -10.186 3.762 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.579 -10.955 3.725 1.00 0.00 H new ATOM 0 HG SER A 17 1.832 -11.878 4.834 1.00 0.00 H new ATOM 247 N LEU A 18 1.845 -9.911 0.964 1.00 0.00 N ATOM 248 CA LEU A 18 3.005 -9.164 0.405 1.00 0.00 C ATOM 249 C LEU A 18 2.882 -7.682 0.738 1.00 0.00 C ATOM 250 O LEU A 18 1.791 -7.170 0.844 1.00 0.00 O ATOM 251 CB LEU A 18 3.003 -9.336 -1.122 1.00 0.00 C ATOM 252 CG LEU A 18 4.374 -8.938 -1.674 1.00 0.00 C ATOM 253 CD1 LEU A 18 5.221 -10.197 -1.880 1.00 0.00 C ATOM 254 CD2 LEU A 18 4.192 -8.230 -3.018 1.00 0.00 C ATOM 0 H LEU A 18 0.930 -9.508 0.762 1.00 0.00 H new ATOM 0 HA LEU A 18 3.930 -9.549 0.834 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.778 -10.370 -1.383 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.224 -8.718 -1.569 1.00 0.00 H new ATOM 0 HG LEU A 18 4.872 -8.270 -0.971 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.198 -9.918 -2.273 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.347 -10.711 -0.927 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.722 -10.860 -2.587 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.167 -7.945 -3.414 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.698 -8.902 -3.719 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.582 -7.338 -2.879 1.00 0.00 H new ATOM 266 N LEU A 19 4.005 -7.022 0.905 1.00 0.00 N ATOM 267 CA LEU A 19 3.965 -5.561 1.234 1.00 0.00 C ATOM 268 C LEU A 19 4.737 -4.757 0.202 1.00 0.00 C ATOM 269 O LEU A 19 5.934 -4.918 0.057 1.00 0.00 O ATOM 270 CB LEU A 19 4.620 -5.346 2.615 1.00 0.00 C ATOM 271 CG LEU A 19 3.740 -4.414 3.472 1.00 0.00 C ATOM 272 CD1 LEU A 19 4.304 -4.363 4.893 1.00 0.00 C ATOM 273 CD2 LEU A 19 3.761 -2.999 2.879 1.00 0.00 C ATOM 0 H LEU A 19 4.938 -7.427 0.829 1.00 0.00 H new ATOM 0 HA LEU A 19 2.927 -5.229 1.239 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.750 -6.304 3.119 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.613 -4.913 2.493 1.00 0.00 H new ATOM 0 HG LEU A 19 2.717 -4.791 3.486 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.687 -3.706 5.506 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.303 -5.365 5.321 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.325 -3.982 4.866 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.139 -2.341 3.486 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.784 -2.624 2.870 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.375 -3.026 1.860 1.00 0.00 H new ATOM 285 N ILE A 20 4.035 -3.898 -0.499 1.00 0.00 N ATOM 286 CA ILE A 20 4.706 -3.068 -1.531 1.00 0.00 C ATOM 287 C ILE A 20 4.878 -1.640 -1.045 1.00 0.00 C ATOM 288 O ILE A 20 4.330 -1.253 -0.023 1.00 0.00 O ATOM 289 CB ILE A 20 3.839 -3.060 -2.794 1.00 0.00 C ATOM 290 CG1 ILE A 20 2.438 -2.526 -2.478 1.00 0.00 C ATOM 291 CG2 ILE A 20 3.720 -4.510 -3.306 1.00 0.00 C ATOM 292 CD1 ILE A 20 1.644 -2.412 -3.779 1.00 0.00 C ATOM 0 H ILE A 20 3.032 -3.741 -0.397 1.00 0.00 H new ATOM 0 HA ILE A 20 5.690 -3.489 -1.739 1.00 0.00 H new ATOM 0 HB ILE A 20 4.297 -2.418 -3.546 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.928 -3.194 -1.783 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.507 -1.553 -1.992 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.106 -4.529 -4.206 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.713 -4.897 -3.536 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.257 -5.130 -2.538 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.645 -2.033 -3.564 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.154 -1.728 -4.457 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.566 -3.394 -4.245 1.00 0.00 H new ATOM 304 N SER A 21 5.619 -0.875 -1.790 1.00 0.00 N ATOM 305 CA SER A 21 5.839 0.529 -1.385 1.00 0.00 C ATOM 306 C SER A 21 6.152 1.402 -2.586 1.00 0.00 C ATOM 307 O SER A 21 6.938 1.030 -3.440 1.00 0.00 O ATOM 308 CB SER A 21 7.034 0.572 -0.424 1.00 0.00 C ATOM 309 OG SER A 21 7.592 -0.731 -0.510 1.00 0.00 O ATOM 0 H SER A 21 6.077 -1.161 -2.655 1.00 0.00 H new ATOM 0 HA SER A 21 4.933 0.905 -0.909 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.755 1.335 -0.718 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.720 0.805 0.593 1.00 0.00 H new ATOM 0 HG SER A 21 8.372 -0.792 0.079 1.00 0.00 H new ATOM 315 N TRP A 22 5.523 2.551 -2.632 1.00 0.00 N ATOM 316 CA TRP A 22 5.764 3.469 -3.763 1.00 0.00 C ATOM 317 C TRP A 22 5.788 4.921 -3.278 1.00 0.00 C ATOM 318 O TRP A 22 6.315 5.197 -2.218 1.00 0.00 O ATOM 319 CB TRP A 22 4.668 3.248 -4.852 1.00 0.00 C ATOM 320 CG TRP A 22 3.308 3.837 -4.438 1.00 0.00 C ATOM 321 CD1 TRP A 22 2.801 4.953 -4.945 1.00 0.00 C ATOM 322 CD2 TRP A 22 2.462 3.271 -3.603 1.00 0.00 C ATOM 323 NE1 TRP A 22 1.589 5.044 -4.372 1.00 0.00 N ATOM 324 CE2 TRP A 22 1.295 4.012 -3.500 1.00 0.00 C ATOM 325 CE3 TRP A 22 2.585 2.095 -2.881 1.00 0.00 C ATOM 326 CZ2 TRP A 22 0.271 3.583 -2.679 1.00 0.00 C ATOM 327 CZ3 TRP A 22 1.560 1.673 -2.063 1.00 0.00 C ATOM 328 CH2 TRP A 22 0.404 2.415 -1.962 1.00 0.00 C ATOM 0 H TRP A 22 4.858 2.883 -1.933 1.00 0.00 H new ATOM 0 HA TRP A 22 6.738 3.257 -4.204 1.00 0.00 H new ATOM 0 HB2 TRP A 22 4.990 3.706 -5.787 1.00 0.00 H new ATOM 0 HB3 TRP A 22 4.557 2.180 -5.041 1.00 0.00 H new ATOM 0 HD1 TRP A 22 3.256 5.630 -5.653 1.00 0.00 H new ATOM 0 HE1 TRP A 22 0.942 5.809 -4.564 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.488 1.507 -2.960 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.636 4.164 -2.599 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.663 0.758 -1.499 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.398 2.081 -1.321 1.00 0.00 H new ATOM 339 N ASP A 23 5.223 5.817 -4.048 1.00 0.00 N ATOM 340 CA ASP A 23 5.220 7.265 -3.624 1.00 0.00 C ATOM 341 C ASP A 23 3.818 7.798 -3.307 1.00 0.00 C ATOM 342 O ASP A 23 2.827 7.147 -3.559 1.00 0.00 O ATOM 343 CB ASP A 23 5.797 8.071 -4.786 1.00 0.00 C ATOM 344 CG ASP A 23 5.827 9.557 -4.423 1.00 0.00 C ATOM 345 OD1 ASP A 23 6.246 9.836 -3.312 1.00 0.00 O ATOM 346 OD2 ASP A 23 5.434 10.330 -5.282 1.00 0.00 O ATOM 0 H ASP A 23 4.768 5.621 -4.940 1.00 0.00 H new ATOM 0 HA ASP A 23 5.806 7.357 -2.709 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.804 7.723 -5.017 1.00 0.00 H new ATOM 0 HB3 ASP A 23 5.194 7.918 -5.681 1.00 0.00 H new ATOM 351 N ALA A 24 3.785 9.001 -2.755 1.00 0.00 N ATOM 352 CA ALA A 24 2.483 9.641 -2.395 1.00 0.00 C ATOM 353 C ALA A 24 2.724 11.057 -1.812 1.00 0.00 C ATOM 354 O ALA A 24 2.832 11.211 -0.612 1.00 0.00 O ATOM 355 CB ALA A 24 1.812 8.791 -1.296 1.00 0.00 C ATOM 0 H ALA A 24 4.611 9.560 -2.542 1.00 0.00 H new ATOM 0 HA ALA A 24 1.860 9.710 -3.287 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.859 9.242 -1.019 1.00 0.00 H new ATOM 0 HB2 ALA A 24 1.641 7.782 -1.670 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.461 8.748 -0.422 1.00 0.00 H new ATOM 361 N PRO A 25 2.809 12.081 -2.670 1.00 0.00 N ATOM 362 CA PRO A 25 3.038 13.444 -2.186 1.00 0.00 C ATOM 363 C PRO A 25 1.898 13.927 -1.290 1.00 0.00 C ATOM 364 O PRO A 25 0.893 13.260 -1.140 1.00 0.00 O ATOM 365 CB PRO A 25 3.115 14.315 -3.455 1.00 0.00 C ATOM 366 CG PRO A 25 2.998 13.360 -4.682 1.00 0.00 C ATOM 367 CD PRO A 25 2.695 11.952 -4.135 1.00 0.00 C ATOM 0 HA PRO A 25 3.944 13.497 -1.582 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.312 15.052 -3.464 1.00 0.00 H new ATOM 0 HB3 PRO A 25 4.055 14.867 -3.486 1.00 0.00 H new ATOM 0 HG2 PRO A 25 2.205 13.691 -5.353 1.00 0.00 H new ATOM 0 HG3 PRO A 25 3.923 13.358 -5.258 1.00 0.00 H new ATOM 0 HD2 PRO A 25 1.698 11.621 -4.426 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.400 11.217 -4.523 1.00 0.00 H new ATOM 375 N ALA A 26 2.083 15.087 -0.708 1.00 0.00 N ATOM 376 CA ALA A 26 1.030 15.639 0.184 1.00 0.00 C ATOM 377 C ALA A 26 -0.040 16.387 -0.607 1.00 0.00 C ATOM 378 O ALA A 26 -0.996 16.877 -0.040 1.00 0.00 O ATOM 379 CB ALA A 26 1.694 16.621 1.164 1.00 0.00 C ATOM 0 H ALA A 26 2.914 15.668 -0.814 1.00 0.00 H new ATOM 0 HA ALA A 26 0.551 14.813 0.709 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.938 17.038 1.829 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.445 16.095 1.753 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.170 17.427 0.605 1.00 0.00 H new ATOM 385 N VAL A 27 0.129 16.462 -1.901 1.00 0.00 N ATOM 386 CA VAL A 27 -0.886 17.179 -2.714 1.00 0.00 C ATOM 387 C VAL A 27 -2.243 16.531 -2.535 1.00 0.00 C ATOM 388 O VAL A 27 -2.341 15.339 -2.384 1.00 0.00 O ATOM 389 CB VAL A 27 -0.495 17.087 -4.202 1.00 0.00 C ATOM 390 CG1 VAL A 27 0.864 17.748 -4.409 1.00 0.00 C ATOM 391 CG2 VAL A 27 -0.411 15.615 -4.617 1.00 0.00 C ATOM 0 H VAL A 27 0.912 16.064 -2.419 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.930 18.220 -2.393 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.246 17.595 -4.808 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.143 17.684 -5.461 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.809 18.795 -4.111 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.613 17.238 -3.803 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.135 15.549 -5.669 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.341 15.109 -4.012 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.380 15.138 -4.466 1.00 0.00 H new ATOM 401 N THR A 28 -3.268 17.323 -2.540 1.00 0.00 N ATOM 402 CA THR A 28 -4.620 16.744 -2.370 1.00 0.00 C ATOM 403 C THR A 28 -4.866 15.629 -3.388 1.00 0.00 C ATOM 404 O THR A 28 -5.290 15.879 -4.498 1.00 0.00 O ATOM 405 CB THR A 28 -5.654 17.857 -2.584 1.00 0.00 C ATOM 406 OG1 THR A 28 -5.025 19.040 -2.133 1.00 0.00 O ATOM 407 CG2 THR A 28 -6.854 17.675 -1.643 1.00 0.00 C ATOM 0 H THR A 28 -3.231 18.336 -2.653 1.00 0.00 H new ATOM 0 HA THR A 28 -4.705 16.322 -1.369 1.00 0.00 H new ATOM 0 HB THR A 28 -5.982 17.864 -3.624 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.636 19.798 -2.244 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.574 18.476 -1.813 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.328 16.713 -1.839 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.513 17.707 -0.608 1.00 0.00 H new ATOM 415 N VAL A 29 -4.583 14.413 -2.990 1.00 0.00 N ATOM 416 CA VAL A 29 -4.794 13.276 -3.921 1.00 0.00 C ATOM 417 C VAL A 29 -6.184 12.696 -3.754 1.00 0.00 C ATOM 418 O VAL A 29 -6.633 12.481 -2.646 1.00 0.00 O ATOM 419 CB VAL A 29 -3.788 12.156 -3.587 1.00 0.00 C ATOM 420 CG1 VAL A 29 -3.740 11.164 -4.757 1.00 0.00 C ATOM 421 CG2 VAL A 29 -2.396 12.753 -3.352 1.00 0.00 C ATOM 0 H VAL A 29 -4.219 14.166 -2.070 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.663 13.642 -4.939 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.103 11.640 -2.680 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.031 10.368 -4.530 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.730 10.735 -4.911 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.425 11.684 -5.662 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.693 11.954 -3.117 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.067 13.273 -4.251 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.437 13.456 -2.520 1.00 0.00 H new ATOM 431 N ARG A 30 -6.856 12.456 -4.848 1.00 0.00 N ATOM 432 CA ARG A 30 -8.212 11.888 -4.726 1.00 0.00 C ATOM 433 C ARG A 30 -8.096 10.428 -4.332 1.00 0.00 C ATOM 434 O ARG A 30 -8.262 10.087 -3.180 1.00 0.00 O ATOM 435 CB ARG A 30 -8.940 11.997 -6.076 1.00 0.00 C ATOM 436 CG ARG A 30 -9.115 13.477 -6.431 1.00 0.00 C ATOM 437 CD ARG A 30 -10.560 13.895 -6.145 1.00 0.00 C ATOM 438 NE ARG A 30 -11.465 13.194 -7.098 1.00 0.00 N ATOM 439 CZ ARG A 30 -12.663 13.665 -7.308 1.00 0.00 C ATOM 440 NH1 ARG A 30 -13.580 13.490 -6.394 1.00 0.00 N ATOM 441 NH2 ARG A 30 -12.909 14.292 -8.427 1.00 0.00 N ATOM 0 H ARG A 30 -6.527 12.627 -5.798 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.775 12.435 -3.970 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.370 11.488 -6.853 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.911 11.506 -6.020 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.425 14.087 -5.848 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -8.877 13.642 -7.482 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.828 13.645 -5.118 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.667 14.975 -6.249 1.00 0.00 H new ATOM 0 HE ARG A 30 -11.151 12.353 -7.582 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -13.354 12.992 -5.533 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -14.522 13.852 -6.541 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -12.170 14.407 -9.120 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -13.840 14.667 -8.608 1.00 0.00 H new ATOM 455 N TYR A 31 -7.785 9.582 -5.286 1.00 0.00 N ATOM 456 CA TYR A 31 -7.659 8.138 -4.943 1.00 0.00 C ATOM 457 C TYR A 31 -6.648 7.426 -5.832 1.00 0.00 C ATOM 458 O TYR A 31 -6.388 7.829 -6.956 1.00 0.00 O ATOM 459 CB TYR A 31 -9.021 7.434 -5.130 1.00 0.00 C ATOM 460 CG TYR A 31 -10.155 8.453 -5.103 1.00 0.00 C ATOM 461 CD1 TYR A 31 -10.580 9.001 -3.909 1.00 0.00 C ATOM 462 CD2 TYR A 31 -10.778 8.830 -6.270 1.00 0.00 C ATOM 463 CE1 TYR A 31 -11.612 9.917 -3.889 1.00 0.00 C ATOM 464 CE2 TYR A 31 -11.810 9.743 -6.251 1.00 0.00 C ATOM 465 CZ TYR A 31 -12.236 10.295 -5.060 1.00 0.00 C ATOM 466 OH TYR A 31 -13.265 11.216 -5.044 1.00 0.00 O ATOM 0 H TYR A 31 -7.617 9.824 -6.263 1.00 0.00 H new ATOM 0 HA TYR A 31 -7.324 8.087 -3.907 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -9.031 6.894 -6.077 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -9.168 6.696 -4.341 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -10.102 8.711 -2.985 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -10.455 8.407 -7.210 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -11.934 10.341 -2.949 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -12.289 10.029 -7.176 1.00 0.00 H new ATOM 0 HH TYR A 31 -13.429 11.508 -4.123 1.00 0.00 H new ATOM 476 N TYR A 32 -6.094 6.378 -5.290 1.00 0.00 N ATOM 477 CA TYR A 32 -5.096 5.580 -6.033 1.00 0.00 C ATOM 478 C TYR A 32 -5.735 4.265 -6.417 1.00 0.00 C ATOM 479 O TYR A 32 -6.796 3.947 -5.926 1.00 0.00 O ATOM 480 CB TYR A 32 -3.910 5.281 -5.095 1.00 0.00 C ATOM 481 CG TYR A 32 -2.663 6.045 -5.546 1.00 0.00 C ATOM 482 CD1 TYR A 32 -2.510 7.378 -5.238 1.00 0.00 C ATOM 483 CD2 TYR A 32 -1.654 5.397 -6.229 1.00 0.00 C ATOM 484 CE1 TYR A 32 -1.363 8.056 -5.601 1.00 0.00 C ATOM 485 CE2 TYR A 32 -0.507 6.073 -6.593 1.00 0.00 C ATOM 486 CZ TYR A 32 -0.355 7.408 -6.281 1.00 0.00 C ATOM 487 OH TYR A 32 0.795 8.084 -6.636 1.00 0.00 O ATOM 0 H TYR A 32 -6.298 6.040 -4.349 1.00 0.00 H new ATOM 0 HA TYR A 32 -4.757 6.120 -6.917 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.167 5.563 -4.074 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.705 4.210 -5.088 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.294 7.898 -4.708 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.763 4.352 -6.481 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.255 9.101 -5.350 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.276 5.554 -7.125 1.00 0.00 H new ATOM 0 HH TYR A 32 1.400 7.475 -7.108 1.00 0.00 H new ATOM 497 N ARG A 33 -5.106 3.525 -7.287 1.00 0.00 N ATOM 498 CA ARG A 33 -5.708 2.218 -7.684 1.00 0.00 C ATOM 499 C ARG A 33 -4.641 1.173 -7.943 1.00 0.00 C ATOM 500 O ARG A 33 -3.956 1.217 -8.944 1.00 0.00 O ATOM 501 CB ARG A 33 -6.520 2.413 -8.969 1.00 0.00 C ATOM 502 CG ARG A 33 -7.454 1.209 -9.166 1.00 0.00 C ATOM 503 CD ARG A 33 -8.716 1.384 -8.314 1.00 0.00 C ATOM 504 NE ARG A 33 -9.841 1.800 -9.194 1.00 0.00 N ATOM 505 CZ ARG A 33 -11.039 1.888 -8.695 1.00 0.00 C ATOM 506 NH1 ARG A 33 -11.650 0.794 -8.336 1.00 0.00 N ATOM 507 NH2 ARG A 33 -11.583 3.067 -8.561 1.00 0.00 N ATOM 0 H ARG A 33 -4.219 3.760 -7.733 1.00 0.00 H new ATOM 0 HA ARG A 33 -6.342 1.874 -6.867 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.101 3.333 -8.910 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.851 2.513 -9.824 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -7.725 1.116 -10.218 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.940 0.289 -8.886 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.960 0.451 -7.807 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -8.547 2.133 -7.540 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.675 2.014 -10.177 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.188 -0.108 -8.449 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.590 0.840 -7.942 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.069 3.901 -8.846 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.522 3.154 -8.172 1.00 0.00 H new ATOM 521 N ILE A 34 -4.523 0.247 -7.030 1.00 0.00 N ATOM 522 CA ILE A 34 -3.507 -0.820 -7.193 1.00 0.00 C ATOM 523 C ILE A 34 -4.157 -2.096 -7.713 1.00 0.00 C ATOM 524 O ILE A 34 -4.856 -2.780 -6.986 1.00 0.00 O ATOM 525 CB ILE A 34 -2.880 -1.100 -5.827 1.00 0.00 C ATOM 526 CG1 ILE A 34 -1.933 0.031 -5.464 1.00 0.00 C ATOM 527 CG2 ILE A 34 -2.072 -2.406 -5.915 1.00 0.00 C ATOM 528 CD1 ILE A 34 -1.883 0.185 -3.942 1.00 0.00 C ATOM 0 H ILE A 34 -5.087 0.187 -6.182 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.750 -0.496 -7.907 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.663 -1.183 -5.073 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.936 -0.176 -5.852 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.267 0.961 -5.924 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.618 -2.619 -4.947 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.734 -3.226 -6.194 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.290 -2.300 -6.667 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.204 0.996 -3.681 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.881 0.412 -3.566 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.529 -0.743 -3.494 1.00 0.00 H new ATOM 540 N THR A 35 -3.922 -2.386 -8.973 1.00 0.00 N ATOM 541 CA THR A 35 -4.514 -3.615 -9.576 1.00 0.00 C ATOM 542 C THR A 35 -3.442 -4.669 -9.796 1.00 0.00 C ATOM 543 O THR A 35 -2.359 -4.359 -10.256 1.00 0.00 O ATOM 544 CB THR A 35 -5.126 -3.258 -10.946 1.00 0.00 C ATOM 545 OG1 THR A 35 -4.027 -2.927 -11.769 1.00 0.00 O ATOM 546 CG2 THR A 35 -5.963 -1.962 -10.884 1.00 0.00 C ATOM 0 H THR A 35 -3.348 -1.825 -9.603 1.00 0.00 H new ATOM 0 HA THR A 35 -5.274 -4.005 -8.899 1.00 0.00 H new ATOM 0 HB THR A 35 -5.748 -4.086 -11.286 1.00 0.00 H new ATOM 0 HG1 THR A 35 -3.196 -3.021 -11.258 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.375 -1.748 -11.870 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.777 -2.088 -10.170 1.00 0.00 H new ATOM 0 HG23 THR A 35 -5.329 -1.134 -10.568 1.00 0.00 H new ATOM 554 N TYR A 36 -3.762 -5.901 -9.463 1.00 0.00 N ATOM 555 CA TYR A 36 -2.769 -6.994 -9.647 1.00 0.00 C ATOM 556 C TYR A 36 -3.390 -8.229 -10.296 1.00 0.00 C ATOM 557 O TYR A 36 -4.451 -8.688 -9.912 1.00 0.00 O ATOM 558 CB TYR A 36 -2.119 -7.372 -8.273 1.00 0.00 C ATOM 559 CG TYR A 36 -3.132 -7.916 -7.205 1.00 0.00 C ATOM 560 CD1 TYR A 36 -4.513 -7.746 -7.298 1.00 0.00 C ATOM 561 CD2 TYR A 36 -2.634 -8.544 -6.078 1.00 0.00 C ATOM 562 CE1 TYR A 36 -5.345 -8.182 -6.291 1.00 0.00 C ATOM 563 CE2 TYR A 36 -3.479 -8.980 -5.077 1.00 0.00 C ATOM 564 CZ TYR A 36 -4.836 -8.800 -5.178 1.00 0.00 C ATOM 565 OH TYR A 36 -5.677 -9.229 -4.170 1.00 0.00 O ATOM 0 H TYR A 36 -4.661 -6.188 -9.076 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.997 -6.624 -10.322 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.350 -8.125 -8.444 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.619 -6.493 -7.867 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -4.935 -7.267 -8.169 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -1.569 -8.695 -5.980 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -6.411 -8.035 -6.379 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.068 -9.468 -4.205 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.147 -9.631 -3.451 1.00 0.00 H new ATOM 575 N GLY A 37 -2.705 -8.726 -11.299 1.00 0.00 N ATOM 576 CA GLY A 37 -3.200 -9.932 -12.023 1.00 0.00 C ATOM 577 C GLY A 37 -2.038 -10.618 -12.752 1.00 0.00 C ATOM 578 O GLY A 37 -1.064 -9.983 -13.106 1.00 0.00 O ATOM 0 H GLY A 37 -1.824 -8.345 -11.645 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.659 -10.626 -11.319 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.971 -9.646 -12.738 1.00 0.00 H new ATOM 582 N GLU A 38 -2.166 -11.896 -12.962 1.00 0.00 N ATOM 583 CA GLU A 38 -1.089 -12.635 -13.658 1.00 0.00 C ATOM 584 C GLU A 38 -0.667 -11.932 -14.951 1.00 0.00 C ATOM 585 O GLU A 38 -1.297 -10.984 -15.383 1.00 0.00 O ATOM 586 CB GLU A 38 -1.617 -14.034 -14.006 1.00 0.00 C ATOM 587 CG GLU A 38 -2.786 -14.382 -13.080 1.00 0.00 C ATOM 588 CD GLU A 38 -3.069 -15.881 -13.170 1.00 0.00 C ATOM 589 OE1 GLU A 38 -2.871 -16.404 -14.254 1.00 0.00 O ATOM 590 OE2 GLU A 38 -3.467 -16.421 -12.150 1.00 0.00 O ATOM 0 H GLU A 38 -2.970 -12.457 -12.681 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.220 -12.687 -13.002 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.941 -14.064 -15.046 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.822 -14.772 -13.899 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.547 -14.106 -12.053 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.672 -13.815 -13.364 1.00 0.00 H new ATOM 597 N THR A 39 0.397 -12.418 -15.543 1.00 0.00 N ATOM 598 CA THR A 39 0.891 -11.804 -16.808 1.00 0.00 C ATOM 599 C THR A 39 0.023 -12.189 -17.995 1.00 0.00 C ATOM 600 O THR A 39 0.456 -12.116 -19.128 1.00 0.00 O ATOM 601 CB THR A 39 2.316 -12.306 -17.060 1.00 0.00 C ATOM 602 OG1 THR A 39 2.665 -11.815 -18.338 1.00 0.00 O ATOM 603 CG2 THR A 39 2.334 -13.832 -17.215 1.00 0.00 C ATOM 0 H THR A 39 0.941 -13.211 -15.204 1.00 0.00 H new ATOM 0 HA THR A 39 0.861 -10.720 -16.702 1.00 0.00 H new ATOM 0 HB THR A 39 2.968 -11.996 -16.243 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.100 -12.240 -19.017 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.356 -14.168 -17.393 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.954 -14.295 -16.304 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.705 -14.120 -18.058 1.00 0.00 H new ATOM 611 N GLY A 40 -1.183 -12.593 -17.725 1.00 0.00 N ATOM 612 CA GLY A 40 -2.080 -12.985 -18.844 1.00 0.00 C ATOM 613 C GLY A 40 -3.533 -12.672 -18.498 1.00 0.00 C ATOM 614 O GLY A 40 -3.960 -11.537 -18.562 1.00 0.00 O ATOM 0 H GLY A 40 -1.584 -12.669 -16.790 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.793 -12.453 -19.751 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.970 -14.050 -19.050 1.00 0.00 H new ATOM 618 N GLY A 41 -4.262 -13.685 -18.135 1.00 0.00 N ATOM 619 CA GLY A 41 -5.688 -13.467 -17.781 1.00 0.00 C ATOM 620 C GLY A 41 -6.331 -14.779 -17.355 1.00 0.00 C ATOM 621 O GLY A 41 -7.537 -14.885 -17.269 1.00 0.00 O ATOM 0 H GLY A 41 -3.935 -14.649 -18.068 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.762 -12.738 -16.974 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.223 -13.052 -18.635 1.00 0.00 H new ATOM 625 N ASN A 42 -5.513 -15.757 -17.104 1.00 0.00 N ATOM 626 CA ASN A 42 -6.060 -17.066 -16.682 1.00 0.00 C ATOM 627 C ASN A 42 -6.856 -16.915 -15.400 1.00 0.00 C ATOM 628 O ASN A 42 -7.630 -17.777 -15.043 1.00 0.00 O ATOM 629 CB ASN A 42 -4.888 -18.023 -16.424 1.00 0.00 C ATOM 630 CG ASN A 42 -5.016 -19.236 -17.344 1.00 0.00 C ATOM 631 OD1 ASN A 42 -4.872 -19.137 -18.546 1.00 0.00 O ATOM 632 ND2 ASN A 42 -5.283 -20.400 -16.819 1.00 0.00 N ATOM 0 H ASN A 42 -4.497 -15.706 -17.173 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.713 -17.453 -17.464 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -3.941 -17.514 -16.604 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.886 -18.341 -15.381 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.370 -21.221 -17.417 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -5.405 -20.489 -15.810 1.00 0.00 H new ATOM 639 N SER A 43 -6.648 -15.813 -14.730 1.00 0.00 N ATOM 640 CA SER A 43 -7.379 -15.574 -13.462 1.00 0.00 C ATOM 641 C SER A 43 -6.831 -14.323 -12.751 1.00 0.00 C ATOM 642 O SER A 43 -6.160 -14.421 -11.745 1.00 0.00 O ATOM 643 CB SER A 43 -7.165 -16.792 -12.545 1.00 0.00 C ATOM 644 OG SER A 43 -5.868 -17.260 -12.883 1.00 0.00 O ATOM 0 H SER A 43 -6.004 -15.073 -15.009 1.00 0.00 H new ATOM 0 HA SER A 43 -8.437 -15.424 -13.679 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.226 -16.514 -11.493 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.922 -17.557 -12.717 1.00 0.00 H new ATOM 0 HG SER A 43 -5.208 -16.858 -12.281 1.00 0.00 H new ATOM 650 N PRO A 44 -7.133 -13.155 -13.303 1.00 0.00 N ATOM 651 CA PRO A 44 -6.671 -11.900 -12.722 1.00 0.00 C ATOM 652 C PRO A 44 -7.236 -11.725 -11.323 1.00 0.00 C ATOM 653 O PRO A 44 -8.434 -11.743 -11.129 1.00 0.00 O ATOM 654 CB PRO A 44 -7.216 -10.801 -13.662 1.00 0.00 C ATOM 655 CG PRO A 44 -7.954 -11.520 -14.831 1.00 0.00 C ATOM 656 CD PRO A 44 -7.954 -13.023 -14.513 1.00 0.00 C ATOM 0 HA PRO A 44 -5.585 -11.864 -12.633 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -7.897 -10.139 -13.126 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.403 -10.182 -14.043 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -8.974 -11.148 -14.929 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.452 -11.327 -15.779 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -8.966 -13.391 -14.345 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.537 -13.601 -15.338 1.00 0.00 H new ATOM 664 N VAL A 45 -6.368 -11.560 -10.369 1.00 0.00 N ATOM 665 CA VAL A 45 -6.851 -11.389 -8.985 1.00 0.00 C ATOM 666 C VAL A 45 -7.912 -10.296 -8.899 1.00 0.00 C ATOM 667 O VAL A 45 -9.087 -10.569 -9.050 1.00 0.00 O ATOM 668 CB VAL A 45 -5.656 -11.040 -8.071 1.00 0.00 C ATOM 669 CG1 VAL A 45 -6.081 -11.210 -6.607 1.00 0.00 C ATOM 670 CG2 VAL A 45 -4.489 -11.983 -8.373 1.00 0.00 C ATOM 0 H VAL A 45 -5.355 -11.537 -10.490 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.309 -12.322 -8.658 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.345 -10.011 -8.250 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.243 -10.966 -5.954 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.916 -10.543 -6.391 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.386 -12.242 -6.434 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.646 -11.737 -7.728 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.797 -13.013 -8.191 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.192 -11.872 -9.416 1.00 0.00 H new ATOM 680 N GLN A 46 -7.492 -9.077 -8.673 1.00 0.00 N ATOM 681 CA GLN A 46 -8.489 -7.975 -8.578 1.00 0.00 C ATOM 682 C GLN A 46 -7.804 -6.617 -8.448 1.00 0.00 C ATOM 683 O GLN A 46 -6.816 -6.351 -9.098 1.00 0.00 O ATOM 684 CB GLN A 46 -9.352 -8.197 -7.314 1.00 0.00 C ATOM 685 CG GLN A 46 -10.666 -7.414 -7.443 1.00 0.00 C ATOM 686 CD GLN A 46 -11.807 -8.391 -7.719 1.00 0.00 C ATOM 687 OE1 GLN A 46 -12.509 -8.282 -8.707 1.00 0.00 O ATOM 688 NE2 GLN A 46 -12.031 -9.355 -6.870 1.00 0.00 N ATOM 0 H GLN A 46 -6.517 -8.802 -8.552 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.094 -7.981 -9.484 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -9.561 -9.259 -7.186 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -8.808 -7.870 -6.428 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -10.862 -6.856 -6.527 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.592 -6.686 -8.250 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -11.445 -9.450 -6.040 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -12.792 -10.014 -7.035 1.00 0.00 H new ATOM 697 N GLU A 47 -8.371 -5.771 -7.622 1.00 0.00 N ATOM 698 CA GLU A 47 -7.781 -4.425 -7.424 1.00 0.00 C ATOM 699 C GLU A 47 -8.480 -3.694 -6.286 1.00 0.00 C ATOM 700 O GLU A 47 -9.513 -4.124 -5.816 1.00 0.00 O ATOM 701 CB GLU A 47 -7.963 -3.613 -8.713 1.00 0.00 C ATOM 702 CG GLU A 47 -9.458 -3.370 -8.951 1.00 0.00 C ATOM 703 CD GLU A 47 -9.679 -2.994 -10.418 1.00 0.00 C ATOM 704 OE1 GLU A 47 -9.642 -3.911 -11.222 1.00 0.00 O ATOM 705 OE2 GLU A 47 -9.873 -1.813 -10.651 1.00 0.00 O ATOM 0 H GLU A 47 -9.215 -5.961 -7.081 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.725 -4.535 -7.179 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.436 -2.662 -8.635 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.531 -4.149 -9.558 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.028 -4.265 -8.703 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.817 -2.572 -8.301 1.00 0.00 H new ATOM 712 N PHE A 48 -7.907 -2.598 -5.858 1.00 0.00 N ATOM 713 CA PHE A 48 -8.545 -1.841 -4.748 1.00 0.00 C ATOM 714 C PHE A 48 -8.021 -0.416 -4.691 1.00 0.00 C ATOM 715 O PHE A 48 -6.849 -0.174 -4.901 1.00 0.00 O ATOM 716 CB PHE A 48 -8.224 -2.546 -3.424 1.00 0.00 C ATOM 717 CG PHE A 48 -6.723 -2.500 -3.177 1.00 0.00 C ATOM 718 CD1 PHE A 48 -5.898 -3.486 -3.687 1.00 0.00 C ATOM 719 CD2 PHE A 48 -6.165 -1.471 -2.439 1.00 0.00 C ATOM 720 CE1 PHE A 48 -4.539 -3.443 -3.463 1.00 0.00 C ATOM 721 CE2 PHE A 48 -4.806 -1.431 -2.217 1.00 0.00 C ATOM 722 CZ PHE A 48 -3.994 -2.417 -2.727 1.00 0.00 C ATOM 0 H PHE A 48 -7.041 -2.203 -6.223 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.621 -1.807 -4.917 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -8.754 -2.061 -2.604 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.566 -3.580 -3.458 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.321 -4.295 -4.264 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.798 -0.695 -2.035 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.901 -4.216 -3.866 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.377 -0.624 -1.641 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.929 -2.386 -2.550 1.00 0.00 H new ATOM 732 N THR A 49 -8.905 0.509 -4.402 1.00 0.00 N ATOM 733 CA THR A 49 -8.479 1.928 -4.328 1.00 0.00 C ATOM 734 C THR A 49 -8.213 2.353 -2.895 1.00 0.00 C ATOM 735 O THR A 49 -8.590 1.675 -1.959 1.00 0.00 O ATOM 736 CB THR A 49 -9.602 2.807 -4.891 1.00 0.00 C ATOM 737 OG1 THR A 49 -9.988 3.647 -3.822 1.00 0.00 O ATOM 738 CG2 THR A 49 -10.852 1.974 -5.194 1.00 0.00 C ATOM 0 H THR A 49 -9.893 0.338 -4.217 1.00 0.00 H new ATOM 0 HA THR A 49 -7.559 2.041 -4.902 1.00 0.00 H new ATOM 0 HB THR A 49 -9.256 3.315 -5.791 1.00 0.00 H new ATOM 0 HG1 THR A 49 -10.709 4.242 -4.117 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.633 2.622 -5.592 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.608 1.206 -5.928 1.00 0.00 H new ATOM 0 HG23 THR A 49 -11.205 1.501 -4.278 1.00 0.00 H new ATOM 746 N VAL A 50 -7.565 3.475 -2.752 1.00 0.00 N ATOM 747 CA VAL A 50 -7.258 3.972 -1.389 1.00 0.00 C ATOM 748 C VAL A 50 -7.200 5.515 -1.390 1.00 0.00 C ATOM 749 O VAL A 50 -7.034 6.118 -2.433 1.00 0.00 O ATOM 750 CB VAL A 50 -5.882 3.409 -0.979 1.00 0.00 C ATOM 751 CG1 VAL A 50 -6.076 2.189 -0.073 1.00 0.00 C ATOM 752 CG2 VAL A 50 -5.125 2.977 -2.236 1.00 0.00 C ATOM 0 H VAL A 50 -7.238 4.064 -3.517 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.031 3.652 -0.690 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.319 4.175 -0.446 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.103 1.792 0.216 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.628 2.483 0.820 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.636 1.423 -0.609 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.151 2.578 -1.955 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.695 2.209 -2.758 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.989 3.837 -2.892 1.00 0.00 H new ATOM 762 N PRO A 51 -7.337 6.139 -0.215 1.00 0.00 N ATOM 763 CA PRO A 51 -7.293 7.604 -0.123 1.00 0.00 C ATOM 764 C PRO A 51 -5.925 8.171 -0.527 1.00 0.00 C ATOM 765 O PRO A 51 -5.588 9.281 -0.166 1.00 0.00 O ATOM 766 CB PRO A 51 -7.545 7.916 1.367 1.00 0.00 C ATOM 767 CG PRO A 51 -7.610 6.557 2.125 1.00 0.00 C ATOM 768 CD PRO A 51 -7.559 5.441 1.068 1.00 0.00 C ATOM 0 HA PRO A 51 -8.026 8.051 -0.795 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -6.747 8.541 1.768 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -8.476 8.469 1.491 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -6.776 6.465 2.821 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -8.525 6.488 2.713 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.755 4.735 1.278 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -8.488 4.870 1.051 1.00 0.00 H new ATOM 776 N GLY A 52 -5.168 7.406 -1.273 1.00 0.00 N ATOM 777 CA GLY A 52 -3.823 7.893 -1.703 1.00 0.00 C ATOM 778 C GLY A 52 -3.101 8.582 -0.542 1.00 0.00 C ATOM 779 O GLY A 52 -2.340 9.509 -0.745 1.00 0.00 O ATOM 0 H GLY A 52 -5.421 6.473 -1.600 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.226 7.056 -2.064 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.931 8.589 -2.535 1.00 0.00 H new ATOM 783 N SER A 53 -3.350 8.112 0.652 1.00 0.00 N ATOM 784 CA SER A 53 -2.690 8.726 1.834 1.00 0.00 C ATOM 785 C SER A 53 -1.440 7.952 2.233 1.00 0.00 C ATOM 786 O SER A 53 -0.371 8.517 2.361 1.00 0.00 O ATOM 787 CB SER A 53 -3.677 8.696 3.005 1.00 0.00 C ATOM 788 OG SER A 53 -3.917 10.065 3.293 1.00 0.00 O ATOM 0 H SER A 53 -3.978 7.335 0.856 1.00 0.00 H new ATOM 0 HA SER A 53 -2.400 9.746 1.583 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.598 8.178 2.737 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.258 8.175 3.866 1.00 0.00 H new ATOM 0 HG SER A 53 -4.548 10.137 4.039 1.00 0.00 H new ATOM 794 N LYS A 54 -1.592 6.670 2.427 1.00 0.00 N ATOM 795 CA LYS A 54 -0.420 5.851 2.820 1.00 0.00 C ATOM 796 C LYS A 54 0.496 5.597 1.628 1.00 0.00 C ATOM 797 O LYS A 54 0.038 5.294 0.543 1.00 0.00 O ATOM 798 CB LYS A 54 -0.928 4.498 3.352 1.00 0.00 C ATOM 799 CG LYS A 54 -1.774 4.731 4.611 1.00 0.00 C ATOM 800 CD LYS A 54 -1.571 3.560 5.576 1.00 0.00 C ATOM 801 CE LYS A 54 -2.688 3.572 6.624 1.00 0.00 C ATOM 802 NZ LYS A 54 -3.912 2.908 6.091 1.00 0.00 N ATOM 0 H LYS A 54 -2.471 6.162 2.330 1.00 0.00 H new ATOM 0 HA LYS A 54 0.145 6.387 3.583 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.522 3.995 2.589 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.086 3.846 3.582 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.486 5.667 5.090 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.827 4.820 4.345 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.579 2.617 5.029 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.599 3.638 6.062 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.353 3.060 7.526 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.918 4.599 6.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.659 2.925 6.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.240 3.413 5.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.692 1.922 5.843 1.00 0.00 H new ATOM 816 N SER A 55 1.776 5.731 1.851 1.00 0.00 N ATOM 817 CA SER A 55 2.737 5.504 0.746 1.00 0.00 C ATOM 818 C SER A 55 3.049 4.020 0.606 1.00 0.00 C ATOM 819 O SER A 55 3.615 3.591 -0.379 1.00 0.00 O ATOM 820 CB SER A 55 4.034 6.258 1.073 1.00 0.00 C ATOM 821 OG SER A 55 3.591 7.484 1.639 1.00 0.00 O ATOM 0 H SER A 55 2.191 5.987 2.747 1.00 0.00 H new ATOM 0 HA SER A 55 2.304 5.860 -0.189 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.655 5.698 1.772 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.633 6.426 0.178 1.00 0.00 H new ATOM 0 HG SER A 55 4.367 8.032 1.881 1.00 0.00 H new ATOM 827 N THR A 56 2.669 3.269 1.605 1.00 0.00 N ATOM 828 CA THR A 56 2.921 1.804 1.577 1.00 0.00 C ATOM 829 C THR A 56 1.648 1.052 1.938 1.00 0.00 C ATOM 830 O THR A 56 0.804 1.570 2.641 1.00 0.00 O ATOM 831 CB THR A 56 4.002 1.485 2.618 1.00 0.00 C ATOM 832 OG1 THR A 56 3.466 1.910 3.855 1.00 0.00 O ATOM 833 CG2 THR A 56 5.240 2.372 2.407 1.00 0.00 C ATOM 0 H THR A 56 2.194 3.611 2.440 1.00 0.00 H new ATOM 0 HA THR A 56 3.242 1.502 0.580 1.00 0.00 H new ATOM 0 HB THR A 56 4.273 0.431 2.560 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.112 1.732 4.570 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.994 2.129 3.156 1.00 0.00 H new ATOM 0 HG22 THR A 56 5.648 2.197 1.412 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.957 3.420 2.504 1.00 0.00 H new ATOM 841 N ALA A 57 1.518 -0.157 1.456 1.00 0.00 N ATOM 842 CA ALA A 57 0.282 -0.920 1.787 1.00 0.00 C ATOM 843 C ALA A 57 0.497 -2.425 1.703 1.00 0.00 C ATOM 844 O ALA A 57 1.395 -2.897 1.029 1.00 0.00 O ATOM 845 CB ALA A 57 -0.812 -0.523 0.785 1.00 0.00 C ATOM 0 H ALA A 57 2.195 -0.637 0.863 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.003 -0.680 2.811 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.727 -1.071 1.009 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.002 0.548 0.860 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.484 -0.764 -0.226 1.00 0.00 H new ATOM 851 N THR A 58 -0.346 -3.151 2.396 1.00 0.00 N ATOM 852 CA THR A 58 -0.230 -4.628 2.387 1.00 0.00 C ATOM 853 C THR A 58 -1.218 -5.241 1.398 1.00 0.00 C ATOM 854 O THR A 58 -2.388 -4.909 1.402 1.00 0.00 O ATOM 855 CB THR A 58 -0.558 -5.145 3.792 1.00 0.00 C ATOM 856 OG1 THR A 58 0.320 -4.455 4.658 1.00 0.00 O ATOM 857 CG2 THR A 58 -0.163 -6.622 3.938 1.00 0.00 C ATOM 0 H THR A 58 -1.106 -2.778 2.965 1.00 0.00 H new ATOM 0 HA THR A 58 0.782 -4.906 2.091 1.00 0.00 H new ATOM 0 HB THR A 58 -1.621 -5.013 3.995 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.160 -4.741 5.582 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.406 -6.966 4.943 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.710 -7.219 3.208 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.908 -6.731 3.766 1.00 0.00 H new ATOM 865 N ILE A 59 -0.719 -6.124 0.570 1.00 0.00 N ATOM 866 CA ILE A 59 -1.594 -6.784 -0.438 1.00 0.00 C ATOM 867 C ILE A 59 -1.403 -8.296 -0.400 1.00 0.00 C ATOM 868 O ILE A 59 -0.308 -8.789 -0.584 1.00 0.00 O ATOM 869 CB ILE A 59 -1.207 -6.255 -1.838 1.00 0.00 C ATOM 870 CG1 ILE A 59 -2.026 -6.962 -2.927 1.00 0.00 C ATOM 871 CG2 ILE A 59 0.294 -6.539 -2.094 1.00 0.00 C ATOM 872 CD1 ILE A 59 -3.516 -6.777 -2.648 1.00 0.00 C ATOM 0 H ILE A 59 0.259 -6.415 0.551 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.638 -6.560 -0.217 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.408 -5.184 -1.872 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.776 -6.555 -3.907 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -1.779 -8.023 -2.951 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.571 -6.168 -3.080 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.894 -6.037 -1.335 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.474 -7.613 -2.047 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.096 -7.279 -3.422 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -3.760 -7.205 -1.676 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.757 -5.714 -2.647 1.00 0.00 H new ATOM 884 N SER A 60 -2.486 -9.004 -0.153 1.00 0.00 N ATOM 885 CA SER A 60 -2.409 -10.492 -0.094 1.00 0.00 C ATOM 886 C SER A 60 -3.261 -11.123 -1.186 1.00 0.00 C ATOM 887 O SER A 60 -3.723 -10.448 -2.085 1.00 0.00 O ATOM 888 CB SER A 60 -2.948 -10.951 1.275 1.00 0.00 C ATOM 889 OG SER A 60 -2.550 -12.312 1.371 1.00 0.00 O ATOM 0 H SER A 60 -3.413 -8.611 0.009 1.00 0.00 H new ATOM 0 HA SER A 60 -1.373 -10.800 -0.235 1.00 0.00 H new ATOM 0 HB2 SER A 60 -2.530 -10.356 2.087 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.032 -10.849 1.330 1.00 0.00 H new ATOM 0 HG SER A 60 -2.014 -12.440 2.181 1.00 0.00 H new ATOM 895 N GLY A 61 -3.451 -12.410 -1.091 1.00 0.00 N ATOM 896 CA GLY A 61 -4.274 -13.106 -2.121 1.00 0.00 C ATOM 897 C GLY A 61 -3.448 -13.378 -3.382 1.00 0.00 C ATOM 898 O GLY A 61 -3.862 -13.050 -4.476 1.00 0.00 O ATOM 0 H GLY A 61 -3.076 -13.006 -0.353 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.651 -14.046 -1.718 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.142 -12.496 -2.373 1.00 0.00 H new ATOM 902 N LEU A 62 -2.291 -13.973 -3.195 1.00 0.00 N ATOM 903 CA LEU A 62 -1.418 -14.280 -4.363 1.00 0.00 C ATOM 904 C LEU A 62 -0.958 -15.728 -4.324 1.00 0.00 C ATOM 905 O LEU A 62 -1.552 -16.548 -3.650 1.00 0.00 O ATOM 906 CB LEU A 62 -0.189 -13.358 -4.310 1.00 0.00 C ATOM 907 CG LEU A 62 0.545 -13.566 -2.985 1.00 0.00 C ATOM 908 CD1 LEU A 62 1.957 -14.087 -3.264 1.00 0.00 C ATOM 909 CD2 LEU A 62 0.639 -12.229 -2.256 1.00 0.00 C ATOM 0 H LEU A 62 -1.920 -14.256 -2.288 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.981 -14.120 -5.283 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.477 -13.574 -5.145 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.497 -12.317 -4.408 1.00 0.00 H new ATOM 0 HG LEU A 62 0.004 -14.287 -2.372 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.483 -14.236 -2.321 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.896 -15.035 -3.799 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.499 -13.362 -3.871 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.161 -12.367 -1.309 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.187 -11.516 -2.872 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.364 -11.847 -2.065 1.00 0.00 H new ATOM 921 N LYS A 63 0.094 -16.016 -5.049 1.00 0.00 N ATOM 922 CA LYS A 63 0.614 -17.405 -5.072 1.00 0.00 C ATOM 923 C LYS A 63 2.165 -17.400 -4.961 1.00 0.00 C ATOM 924 O LYS A 63 2.813 -16.569 -5.567 1.00 0.00 O ATOM 925 CB LYS A 63 0.214 -18.032 -6.421 1.00 0.00 C ATOM 926 CG LYS A 63 -1.097 -18.801 -6.250 1.00 0.00 C ATOM 927 CD LYS A 63 -1.685 -19.108 -7.632 1.00 0.00 C ATOM 928 CE LYS A 63 -3.041 -19.800 -7.462 1.00 0.00 C ATOM 929 NZ LYS A 63 -2.855 -21.228 -7.080 1.00 0.00 N ATOM 0 H LYS A 63 0.609 -15.348 -5.622 1.00 0.00 H new ATOM 0 HA LYS A 63 0.203 -17.970 -4.235 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.098 -17.255 -7.176 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.999 -18.702 -6.771 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.921 -19.727 -5.703 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.803 -18.214 -5.663 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.803 -18.187 -8.203 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.005 -19.747 -8.195 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.625 -19.286 -6.698 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.607 -19.737 -8.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.784 -21.686 -6.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.302 -21.715 -7.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.349 -21.282 -6.173 1.00 0.00 H new ATOM 943 N PRO A 64 2.748 -18.331 -4.181 1.00 0.00 N ATOM 944 CA PRO A 64 4.205 -18.384 -4.032 1.00 0.00 C ATOM 945 C PRO A 64 4.897 -18.657 -5.365 1.00 0.00 C ATOM 946 O PRO A 64 4.692 -19.688 -5.973 1.00 0.00 O ATOM 947 CB PRO A 64 4.468 -19.567 -3.076 1.00 0.00 C ATOM 948 CG PRO A 64 3.097 -20.247 -2.788 1.00 0.00 C ATOM 949 CD PRO A 64 2.012 -19.362 -3.417 1.00 0.00 C ATOM 0 HA PRO A 64 4.592 -17.435 -3.661 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.162 -20.277 -3.526 1.00 0.00 H new ATOM 0 HB3 PRO A 64 4.925 -19.218 -2.150 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.069 -21.251 -3.212 1.00 0.00 H new ATOM 0 HG3 PRO A 64 2.936 -20.349 -1.715 1.00 0.00 H new ATOM 0 HD2 PRO A 64 1.358 -19.943 -4.068 1.00 0.00 H new ATOM 0 HD3 PRO A 64 1.380 -18.910 -2.652 1.00 0.00 H new ATOM 957 N GLY A 65 5.704 -17.727 -5.795 1.00 0.00 N ATOM 958 CA GLY A 65 6.422 -17.917 -7.089 1.00 0.00 C ATOM 959 C GLY A 65 5.446 -17.894 -8.267 1.00 0.00 C ATOM 960 O GLY A 65 4.935 -18.921 -8.671 1.00 0.00 O ATOM 0 H GLY A 65 5.897 -16.850 -5.312 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.167 -17.131 -7.214 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.958 -18.866 -7.075 1.00 0.00 H new ATOM 964 N VAL A 66 5.204 -16.724 -8.791 1.00 0.00 N ATOM 965 CA VAL A 66 4.276 -16.618 -9.930 1.00 0.00 C ATOM 966 C VAL A 66 4.434 -15.274 -10.648 1.00 0.00 C ATOM 967 O VAL A 66 4.606 -14.245 -10.021 1.00 0.00 O ATOM 968 CB VAL A 66 2.846 -16.732 -9.381 1.00 0.00 C ATOM 969 CG1 VAL A 66 2.583 -15.584 -8.402 1.00 0.00 C ATOM 970 CG2 VAL A 66 1.848 -16.652 -10.537 1.00 0.00 C ATOM 0 H VAL A 66 5.612 -15.844 -8.475 1.00 0.00 H new ATOM 0 HA VAL A 66 4.490 -17.410 -10.647 1.00 0.00 H new ATOM 0 HB VAL A 66 2.730 -17.685 -8.865 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.568 -15.664 -8.012 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.294 -15.639 -7.578 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.699 -14.631 -8.919 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.833 -16.733 -10.148 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.964 -15.699 -11.053 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.035 -17.467 -11.236 1.00 0.00 H new ATOM 980 N ASP A 67 4.394 -15.310 -11.953 1.00 0.00 N ATOM 981 CA ASP A 67 4.536 -14.049 -12.725 1.00 0.00 C ATOM 982 C ASP A 67 3.330 -13.154 -12.478 1.00 0.00 C ATOM 983 O ASP A 67 2.223 -13.492 -12.850 1.00 0.00 O ATOM 984 CB ASP A 67 4.607 -14.397 -14.221 1.00 0.00 C ATOM 985 CG ASP A 67 5.940 -13.908 -14.793 1.00 0.00 C ATOM 986 OD1 ASP A 67 6.921 -14.586 -14.534 1.00 0.00 O ATOM 987 OD2 ASP A 67 5.902 -12.886 -15.458 1.00 0.00 O ATOM 0 H ASP A 67 4.270 -16.154 -12.512 1.00 0.00 H new ATOM 0 HA ASP A 67 5.440 -13.526 -12.413 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.512 -15.474 -14.360 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.777 -13.932 -14.754 1.00 0.00 H new ATOM 992 N TYR A 68 3.570 -12.028 -11.850 1.00 0.00 N ATOM 993 CA TYR A 68 2.458 -11.087 -11.560 1.00 0.00 C ATOM 994 C TYR A 68 2.676 -9.732 -12.210 1.00 0.00 C ATOM 995 O TYR A 68 3.792 -9.268 -12.330 1.00 0.00 O ATOM 996 CB TYR A 68 2.418 -10.882 -10.038 1.00 0.00 C ATOM 997 CG TYR A 68 1.222 -11.624 -9.435 1.00 0.00 C ATOM 998 CD1 TYR A 68 0.918 -12.910 -9.831 1.00 0.00 C ATOM 999 CD2 TYR A 68 0.442 -11.020 -8.471 1.00 0.00 C ATOM 1000 CE1 TYR A 68 -0.146 -13.583 -9.269 1.00 0.00 C ATOM 1001 CE2 TYR A 68 -0.622 -11.691 -7.909 1.00 0.00 C ATOM 1002 CZ TYR A 68 -0.926 -12.979 -8.302 1.00 0.00 C ATOM 1003 OH TYR A 68 -1.991 -13.650 -7.736 1.00 0.00 O ATOM 0 H TYR A 68 4.490 -11.726 -11.528 1.00 0.00 H new ATOM 0 HA TYR A 68 1.532 -11.506 -11.953 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.343 -11.245 -9.591 1.00 0.00 H new ATOM 0 HB3 TYR A 68 2.349 -9.819 -9.809 1.00 0.00 H new ATOM 0 HD1 TYR A 68 1.518 -13.394 -10.587 1.00 0.00 H new ATOM 0 HD2 TYR A 68 0.667 -10.012 -8.154 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -0.371 -14.590 -9.587 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -1.223 -11.205 -7.155 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.806 -14.612 -7.731 1.00 0.00 H new ATOM 1013 N THR A 69 1.587 -9.127 -12.616 1.00 0.00 N ATOM 1014 CA THR A 69 1.671 -7.795 -13.263 1.00 0.00 C ATOM 1015 C THR A 69 1.028 -6.759 -12.362 1.00 0.00 C ATOM 1016 O THR A 69 -0.176 -6.765 -12.168 1.00 0.00 O ATOM 1017 CB THR A 69 0.914 -7.844 -14.592 1.00 0.00 C ATOM 1018 OG1 THR A 69 1.369 -9.013 -15.230 1.00 0.00 O ATOM 1019 CG2 THR A 69 1.360 -6.703 -15.518 1.00 0.00 C ATOM 0 H THR A 69 0.644 -9.505 -12.524 1.00 0.00 H new ATOM 0 HA THR A 69 2.714 -7.531 -13.436 1.00 0.00 H new ATOM 0 HB THR A 69 -0.159 -7.790 -14.410 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.782 -8.778 -16.087 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.808 -6.759 -16.456 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.162 -5.745 -15.037 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.427 -6.794 -15.719 1.00 0.00 H new ATOM 1027 N ILE A 70 1.844 -5.886 -11.824 1.00 0.00 N ATOM 1028 CA ILE A 70 1.307 -4.833 -10.924 1.00 0.00 C ATOM 1029 C ILE A 70 1.210 -3.496 -11.643 1.00 0.00 C ATOM 1030 O ILE A 70 2.152 -3.057 -12.272 1.00 0.00 O ATOM 1031 CB ILE A 70 2.272 -4.719 -9.712 1.00 0.00 C ATOM 1032 CG1 ILE A 70 2.405 -3.266 -9.203 1.00 0.00 C ATOM 1033 CG2 ILE A 70 3.660 -5.198 -10.164 1.00 0.00 C ATOM 1034 CD1 ILE A 70 1.021 -2.685 -8.876 1.00 0.00 C ATOM 0 H ILE A 70 2.853 -5.861 -11.971 1.00 0.00 H new ATOM 0 HA ILE A 70 0.302 -5.099 -10.598 1.00 0.00 H new ATOM 0 HB ILE A 70 1.870 -5.324 -8.899 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.036 -3.241 -8.315 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.895 -2.652 -9.959 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.358 -5.128 -9.330 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.596 -6.234 -10.498 1.00 0.00 H new ATOM 0 HG23 ILE A 70 4.011 -4.573 -10.985 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.131 -1.661 -8.519 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.402 -2.691 -9.773 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.546 -3.290 -8.103 1.00 0.00 H new ATOM 1046 N THR A 71 0.060 -2.877 -11.536 1.00 0.00 N ATOM 1047 CA THR A 71 -0.138 -1.563 -12.200 1.00 0.00 C ATOM 1048 C THR A 71 -0.784 -0.581 -11.245 1.00 0.00 C ATOM 1049 O THR A 71 -1.643 -0.951 -10.468 1.00 0.00 O ATOM 1050 CB THR A 71 -1.059 -1.761 -13.408 1.00 0.00 C ATOM 1051 OG1 THR A 71 -0.230 -2.277 -14.428 1.00 0.00 O ATOM 1052 CG2 THR A 71 -1.543 -0.409 -13.953 1.00 0.00 C ATOM 0 H THR A 71 -0.745 -3.228 -11.018 1.00 0.00 H new ATOM 0 HA THR A 71 0.829 -1.168 -12.512 1.00 0.00 H new ATOM 0 HB THR A 71 -1.907 -2.386 -13.128 1.00 0.00 H new ATOM 0 HG1 THR A 71 -0.762 -2.430 -15.236 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.195 -0.575 -14.810 1.00 0.00 H new ATOM 0 HG22 THR A 71 -2.093 0.121 -13.175 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.684 0.188 -14.261 1.00 0.00 H new ATOM 1060 N VAL A 72 -0.356 0.663 -11.313 1.00 0.00 N ATOM 1061 CA VAL A 72 -0.944 1.691 -10.403 1.00 0.00 C ATOM 1062 C VAL A 72 -1.377 2.929 -11.175 1.00 0.00 C ATOM 1063 O VAL A 72 -0.697 3.378 -12.081 1.00 0.00 O ATOM 1064 CB VAL A 72 0.117 2.106 -9.343 1.00 0.00 C ATOM 1065 CG1 VAL A 72 0.527 0.874 -8.534 1.00 0.00 C ATOM 1066 CG2 VAL A 72 1.355 2.685 -10.036 1.00 0.00 C ATOM 0 H VAL A 72 0.364 1.002 -11.951 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.820 1.257 -9.921 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.312 2.862 -8.685 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.270 1.159 -7.789 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.348 0.460 -8.033 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.951 0.125 -9.202 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.091 2.972 -9.285 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.786 1.934 -10.698 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.070 3.561 -10.618 1.00 0.00 H new ATOM 1076 N TYR A 73 -2.527 3.436 -10.808 1.00 0.00 N ATOM 1077 CA TYR A 73 -3.060 4.645 -11.479 1.00 0.00 C ATOM 1078 C TYR A 73 -3.241 5.737 -10.443 1.00 0.00 C ATOM 1079 O TYR A 73 -3.932 5.546 -9.452 1.00 0.00 O ATOM 1080 CB TYR A 73 -4.427 4.309 -12.113 1.00 0.00 C ATOM 1081 CG TYR A 73 -4.229 3.993 -13.597 1.00 0.00 C ATOM 1082 CD1 TYR A 73 -3.538 2.862 -13.987 1.00 0.00 C ATOM 1083 CD2 TYR A 73 -4.722 4.842 -14.570 1.00 0.00 C ATOM 1084 CE1 TYR A 73 -3.341 2.586 -15.324 1.00 0.00 C ATOM 1085 CE2 TYR A 73 -4.524 4.563 -15.909 1.00 0.00 C ATOM 1086 CZ TYR A 73 -3.833 3.434 -16.295 1.00 0.00 C ATOM 1087 OH TYR A 73 -3.632 3.157 -17.634 1.00 0.00 O ATOM 0 H TYR A 73 -3.118 3.057 -10.068 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.371 4.980 -12.254 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.878 3.457 -11.604 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.112 5.149 -11.996 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.149 2.188 -13.238 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -5.266 5.730 -14.282 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -2.797 1.699 -15.613 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -4.914 5.235 -16.659 1.00 0.00 H new ATOM 0 HH TYR A 73 -4.046 3.858 -18.179 1.00 0.00 H new ATOM 1097 N ALA A 74 -2.605 6.854 -10.677 1.00 0.00 N ATOM 1098 CA ALA A 74 -2.720 7.976 -9.717 1.00 0.00 C ATOM 1099 C ALA A 74 -3.688 9.028 -10.216 1.00 0.00 C ATOM 1100 O ALA A 74 -3.459 9.644 -11.238 1.00 0.00 O ATOM 1101 CB ALA A 74 -1.333 8.619 -9.575 1.00 0.00 C ATOM 0 H ALA A 74 -2.015 7.032 -11.489 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.088 7.593 -8.765 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.388 9.450 -8.872 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.624 7.878 -9.206 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.001 8.986 -10.546 1.00 0.00 H new ATOM 1107 N VAL A 75 -4.761 9.212 -9.485 1.00 0.00 N ATOM 1108 CA VAL A 75 -5.765 10.223 -9.896 1.00 0.00 C ATOM 1109 C VAL A 75 -5.808 11.371 -8.892 1.00 0.00 C ATOM 1110 O VAL A 75 -6.267 11.208 -7.774 1.00 0.00 O ATOM 1111 CB VAL A 75 -7.138 9.542 -9.954 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -8.102 10.428 -10.743 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -6.992 8.197 -10.674 1.00 0.00 C ATOM 0 H VAL A 75 -4.978 8.705 -8.627 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.497 10.629 -10.872 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.521 9.387 -8.945 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -9.081 9.950 -10.789 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.193 11.396 -10.250 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.720 10.571 -11.754 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.962 7.703 -10.722 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.620 8.364 -11.685 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.290 7.567 -10.128 1.00 0.00 H new ATOM 1123 N THR A 76 -5.306 12.511 -9.318 1.00 0.00 N ATOM 1124 CA THR A 76 -5.290 13.710 -8.431 1.00 0.00 C ATOM 1125 C THR A 76 -6.070 14.848 -9.065 1.00 0.00 C ATOM 1126 O THR A 76 -7.228 15.062 -8.762 1.00 0.00 O ATOM 1127 CB THR A 76 -3.829 14.155 -8.255 1.00 0.00 C ATOM 1128 OG1 THR A 76 -3.270 14.123 -9.552 1.00 0.00 O ATOM 1129 CG2 THR A 76 -3.032 13.109 -7.471 1.00 0.00 C ATOM 0 H THR A 76 -4.907 12.657 -10.245 1.00 0.00 H new ATOM 0 HA THR A 76 -5.745 13.459 -7.473 1.00 0.00 H new ATOM 0 HB THR A 76 -3.796 15.120 -7.750 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.331 14.399 -9.510 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.001 13.446 -7.359 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.479 12.974 -6.486 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.048 12.161 -8.009 1.00 0.00 H new ATOM 1137 N GLY A 77 -5.417 15.556 -9.933 1.00 0.00 N ATOM 1138 CA GLY A 77 -6.092 16.699 -10.614 1.00 0.00 C ATOM 1139 C GLY A 77 -6.011 17.956 -9.751 1.00 0.00 C ATOM 1140 O GLY A 77 -6.654 18.046 -8.723 1.00 0.00 O ATOM 0 H GLY A 77 -4.447 15.398 -10.204 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.623 16.883 -11.581 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -7.135 16.450 -10.808 1.00 0.00 H new ATOM 1144 N ARG A 78 -5.223 18.900 -10.192 1.00 0.00 N ATOM 1145 CA ARG A 78 -5.079 20.163 -9.419 1.00 0.00 C ATOM 1146 C ARG A 78 -5.915 21.278 -10.028 1.00 0.00 C ATOM 1147 O ARG A 78 -6.097 22.319 -9.427 1.00 0.00 O ATOM 1148 CB ARG A 78 -3.602 20.582 -9.448 1.00 0.00 C ATOM 1149 CG ARG A 78 -2.779 19.570 -8.648 1.00 0.00 C ATOM 1150 CD ARG A 78 -1.445 19.335 -9.354 1.00 0.00 C ATOM 1151 NE ARG A 78 -0.754 20.644 -9.523 1.00 0.00 N ATOM 1152 CZ ARG A 78 0.357 20.868 -8.879 1.00 0.00 C ATOM 1153 NH1 ARG A 78 1.470 20.366 -9.346 1.00 0.00 N ATOM 1154 NH2 ARG A 78 0.321 21.587 -7.792 1.00 0.00 N ATOM 0 H ARG A 78 -4.676 18.850 -11.051 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.422 19.992 -8.398 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.244 20.628 -10.477 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.486 21.580 -9.025 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.608 19.940 -7.637 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.325 18.631 -8.556 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.825 18.653 -8.772 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -1.609 18.867 -10.325 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.146 21.358 -10.137 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.459 19.810 -10.201 1.00 0.00 H new ATOM 0 HH12 ARG A 78 2.349 20.531 -8.856 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.566 21.964 -7.459 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.180 21.773 -7.275 1.00 0.00 H new ATOM 1168 N GLY A 79 -6.408 21.044 -11.212 1.00 0.00 N ATOM 1169 CA GLY A 79 -7.242 22.087 -11.884 1.00 0.00 C ATOM 1170 C GLY A 79 -6.419 22.858 -12.912 1.00 0.00 C ATOM 1171 O GLY A 79 -6.606 24.043 -13.100 1.00 0.00 O ATOM 0 H GLY A 79 -6.273 20.183 -11.743 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.096 21.617 -12.373 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.640 22.776 -11.139 1.00 0.00 H new ATOM 1175 N ASP A 80 -5.526 22.168 -13.549 1.00 0.00 N ATOM 1176 CA ASP A 80 -4.673 22.827 -14.572 1.00 0.00 C ATOM 1177 C ASP A 80 -4.450 21.898 -15.759 1.00 0.00 C ATOM 1178 O ASP A 80 -4.613 22.294 -16.897 1.00 0.00 O ATOM 1179 CB ASP A 80 -3.315 23.155 -13.932 1.00 0.00 C ATOM 1180 CG ASP A 80 -3.429 24.467 -13.153 1.00 0.00 C ATOM 1181 OD1 ASP A 80 -3.250 25.493 -13.790 1.00 0.00 O ATOM 1182 OD2 ASP A 80 -3.690 24.371 -11.965 1.00 0.00 O ATOM 0 H ASP A 80 -5.347 21.174 -13.408 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.165 23.734 -14.924 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -3.009 22.348 -13.266 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.548 23.241 -14.702 1.00 0.00 H new ATOM 1187 N SER A 81 -4.081 20.676 -15.461 1.00 0.00 N ATOM 1188 CA SER A 81 -3.837 19.682 -16.541 1.00 0.00 C ATOM 1189 C SER A 81 -4.739 18.455 -16.330 1.00 0.00 C ATOM 1190 O SER A 81 -5.294 18.277 -15.265 1.00 0.00 O ATOM 1191 CB SER A 81 -2.365 19.252 -16.454 1.00 0.00 C ATOM 1192 OG SER A 81 -1.810 19.662 -17.696 1.00 0.00 O ATOM 0 H SER A 81 -3.939 20.328 -14.513 1.00 0.00 H new ATOM 0 HA SER A 81 -4.057 20.117 -17.516 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.859 19.729 -15.615 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.272 18.175 -16.312 1.00 0.00 H new ATOM 0 HG SER A 81 -0.860 19.424 -17.724 1.00 0.00 H new ATOM 1198 N PRO A 82 -4.871 17.622 -17.355 1.00 0.00 N ATOM 1199 CA PRO A 82 -5.706 16.431 -17.247 1.00 0.00 C ATOM 1200 C PRO A 82 -5.335 15.603 -16.021 1.00 0.00 C ATOM 1201 O PRO A 82 -4.173 15.459 -15.691 1.00 0.00 O ATOM 1202 CB PRO A 82 -5.425 15.629 -18.536 1.00 0.00 C ATOM 1203 CG PRO A 82 -4.505 16.511 -19.437 1.00 0.00 C ATOM 1204 CD PRO A 82 -4.195 17.799 -18.651 1.00 0.00 C ATOM 0 HA PRO A 82 -6.759 16.690 -17.136 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.940 14.682 -18.302 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -6.355 15.392 -19.052 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.585 15.980 -19.684 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -5.000 16.745 -20.379 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -3.121 17.934 -18.522 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -4.567 18.680 -19.174 1.00 0.00 H new ATOM 1212 N ALA A 83 -6.333 15.071 -15.369 1.00 0.00 N ATOM 1213 CA ALA A 83 -6.070 14.250 -14.162 1.00 0.00 C ATOM 1214 C ALA A 83 -5.001 13.194 -14.426 1.00 0.00 C ATOM 1215 O ALA A 83 -4.546 12.530 -13.516 1.00 0.00 O ATOM 1216 CB ALA A 83 -7.377 13.546 -13.763 1.00 0.00 C ATOM 0 H ALA A 83 -7.316 15.171 -15.622 1.00 0.00 H new ATOM 0 HA ALA A 83 -5.712 14.903 -13.366 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.206 12.936 -12.876 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.141 14.293 -13.548 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.712 12.910 -14.582 1.00 0.00 H new ATOM 1222 N SER A 84 -4.620 13.051 -15.665 1.00 0.00 N ATOM 1223 CA SER A 84 -3.584 12.043 -15.988 1.00 0.00 C ATOM 1224 C SER A 84 -2.303 12.337 -15.221 1.00 0.00 C ATOM 1225 O SER A 84 -1.519 13.180 -15.612 1.00 0.00 O ATOM 1226 CB SER A 84 -3.289 12.111 -17.493 1.00 0.00 C ATOM 1227 OG SER A 84 -2.699 13.389 -17.674 1.00 0.00 O ATOM 0 H SER A 84 -4.979 13.584 -16.457 1.00 0.00 H new ATOM 0 HA SER A 84 -3.945 11.053 -15.709 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.614 11.313 -17.803 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.200 12.005 -18.083 1.00 0.00 H new ATOM 0 HG SER A 84 -1.806 13.397 -17.271 1.00 0.00 H new ATOM 1233 N SER A 85 -2.116 11.638 -14.137 1.00 0.00 N ATOM 1234 CA SER A 85 -0.895 11.859 -13.323 1.00 0.00 C ATOM 1235 C SER A 85 0.283 11.058 -13.865 1.00 0.00 C ATOM 1236 O SER A 85 1.371 11.161 -13.349 1.00 0.00 O ATOM 1237 CB SER A 85 -1.185 11.398 -11.891 1.00 0.00 C ATOM 1238 OG SER A 85 -1.240 9.984 -11.990 1.00 0.00 O ATOM 0 H SER A 85 -2.755 10.926 -13.782 1.00 0.00 H new ATOM 0 HA SER A 85 -0.636 12.917 -13.356 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.404 11.720 -11.202 1.00 0.00 H new ATOM 0 HB3 SER A 85 -2.125 11.809 -11.522 1.00 0.00 H new ATOM 0 HG SER A 85 -2.175 9.691 -11.972 1.00 0.00 H new ATOM 1244 N LYS A 86 0.008 10.263 -14.893 1.00 0.00 N ATOM 1245 CA LYS A 86 1.068 9.399 -15.551 1.00 0.00 C ATOM 1246 C LYS A 86 1.043 7.970 -15.009 1.00 0.00 C ATOM 1247 O LYS A 86 1.968 7.539 -14.349 1.00 0.00 O ATOM 1248 CB LYS A 86 2.491 9.979 -15.307 1.00 0.00 C ATOM 1249 CG LYS A 86 3.484 9.362 -16.326 1.00 0.00 C ATOM 1250 CD LYS A 86 4.042 10.457 -17.253 1.00 0.00 C ATOM 1251 CE LYS A 86 2.949 10.909 -18.230 1.00 0.00 C ATOM 1252 NZ LYS A 86 2.737 9.882 -19.292 1.00 0.00 N ATOM 0 H LYS A 86 -0.919 10.176 -15.309 1.00 0.00 H new ATOM 0 HA LYS A 86 0.843 9.391 -16.617 1.00 0.00 H new ATOM 0 HB2 LYS A 86 2.475 11.064 -15.410 1.00 0.00 H new ATOM 0 HB3 LYS A 86 2.815 9.760 -14.290 1.00 0.00 H new ATOM 0 HG2 LYS A 86 4.301 8.871 -15.797 1.00 0.00 H new ATOM 0 HG3 LYS A 86 2.981 8.596 -16.917 1.00 0.00 H new ATOM 0 HD2 LYS A 86 4.390 11.305 -16.663 1.00 0.00 H new ATOM 0 HD3 LYS A 86 4.903 10.078 -17.804 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.018 11.079 -17.689 1.00 0.00 H new ATOM 0 HE3 LYS A 86 3.231 11.858 -18.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.164 10.289 -20.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.657 9.579 -19.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.242 9.062 -18.888 1.00 0.00 H new ATOM 1266 N PRO A 87 -0.026 7.249 -15.298 1.00 0.00 N ATOM 1267 CA PRO A 87 -0.153 5.876 -14.835 1.00 0.00 C ATOM 1268 C PRO A 87 1.004 5.030 -15.345 1.00 0.00 C ATOM 1269 O PRO A 87 1.631 5.372 -16.329 1.00 0.00 O ATOM 1270 CB PRO A 87 -1.478 5.374 -15.442 1.00 0.00 C ATOM 1271 CG PRO A 87 -2.161 6.590 -16.139 1.00 0.00 C ATOM 1272 CD PRO A 87 -1.164 7.757 -16.088 1.00 0.00 C ATOM 0 HA PRO A 87 -0.141 5.811 -13.747 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.293 4.574 -16.159 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -2.124 4.963 -14.666 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -2.419 6.348 -17.170 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -3.089 6.854 -15.632 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -0.850 8.052 -17.089 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -1.608 8.636 -15.621 1.00 0.00 H new ATOM 1280 N ILE A 88 1.275 3.944 -14.677 1.00 0.00 N ATOM 1281 CA ILE A 88 2.393 3.092 -15.135 1.00 0.00 C ATOM 1282 C ILE A 88 2.157 1.636 -14.773 1.00 0.00 C ATOM 1283 O ILE A 88 1.420 1.332 -13.854 1.00 0.00 O ATOM 1284 CB ILE A 88 3.669 3.580 -14.452 1.00 0.00 C ATOM 1285 CG1 ILE A 88 4.886 3.123 -15.245 1.00 0.00 C ATOM 1286 CG2 ILE A 88 3.737 2.975 -13.035 1.00 0.00 C ATOM 1287 CD1 ILE A 88 5.370 4.273 -16.129 1.00 0.00 C ATOM 0 H ILE A 88 0.777 3.618 -13.848 1.00 0.00 H new ATOM 0 HA ILE A 88 2.476 3.160 -16.220 1.00 0.00 H new ATOM 0 HB ILE A 88 3.661 4.669 -14.399 1.00 0.00 H new ATOM 0 HG12 ILE A 88 5.680 2.810 -14.567 1.00 0.00 H new ATOM 0 HG13 ILE A 88 4.632 2.259 -15.859 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.644 3.316 -12.537 1.00 0.00 H new ATOM 0 HG22 ILE A 88 2.866 3.293 -12.461 1.00 0.00 H new ATOM 0 HG23 ILE A 88 3.748 1.887 -13.104 1.00 0.00 H new ATOM 0 HD11 ILE A 88 6.242 3.952 -16.699 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.575 4.564 -16.815 1.00 0.00 H new ATOM 0 HD13 ILE A 88 5.639 5.124 -15.504 1.00 0.00 H new ATOM 1299 N SER A 89 2.788 0.759 -15.506 1.00 0.00 N ATOM 1300 CA SER A 89 2.621 -0.686 -15.228 1.00 0.00 C ATOM 1301 C SER A 89 3.936 -1.425 -15.421 1.00 0.00 C ATOM 1302 O SER A 89 4.718 -1.087 -16.287 1.00 0.00 O ATOM 1303 CB SER A 89 1.585 -1.255 -16.212 1.00 0.00 C ATOM 1304 OG SER A 89 2.123 -0.960 -17.494 1.00 0.00 O ATOM 0 H SER A 89 3.409 0.985 -16.283 1.00 0.00 H new ATOM 0 HA SER A 89 2.293 -0.815 -14.197 1.00 0.00 H new ATOM 0 HB2 SER A 89 1.451 -2.328 -16.073 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.608 -0.792 -16.074 1.00 0.00 H new ATOM 0 HG SER A 89 1.517 -1.295 -18.188 1.00 0.00 H new ATOM 1310 N ILE A 90 4.162 -2.420 -14.610 1.00 0.00 N ATOM 1311 CA ILE A 90 5.424 -3.184 -14.740 1.00 0.00 C ATOM 1312 C ILE A 90 5.236 -4.636 -14.319 1.00 0.00 C ATOM 1313 O ILE A 90 4.467 -4.939 -13.420 1.00 0.00 O ATOM 1314 CB ILE A 90 6.479 -2.547 -13.830 1.00 0.00 C ATOM 1315 CG1 ILE A 90 5.802 -1.673 -12.773 1.00 0.00 C ATOM 1316 CG2 ILE A 90 7.394 -1.659 -14.692 1.00 0.00 C ATOM 1317 CD1 ILE A 90 6.850 -1.166 -11.768 1.00 0.00 C ATOM 0 H ILE A 90 3.532 -2.732 -13.871 1.00 0.00 H new ATOM 0 HA ILE A 90 5.737 -3.161 -15.784 1.00 0.00 H new ATOM 0 HB ILE A 90 7.053 -3.330 -13.335 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.304 -0.829 -13.250 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.033 -2.245 -12.253 1.00 0.00 H new ATOM 0 HG21 ILE A 90 8.152 -1.197 -14.060 1.00 0.00 H new ATOM 0 HG22 ILE A 90 7.879 -2.268 -15.454 1.00 0.00 H new ATOM 0 HG23 ILE A 90 6.799 -0.882 -15.173 1.00 0.00 H new ATOM 0 HD11 ILE A 90 6.363 -0.544 -11.017 1.00 0.00 H new ATOM 0 HD12 ILE A 90 7.328 -2.016 -11.281 1.00 0.00 H new ATOM 0 HD13 ILE A 90 7.603 -0.578 -12.293 1.00 0.00 H new ATOM 1329 N ASN A 91 5.943 -5.509 -14.983 1.00 0.00 N ATOM 1330 CA ASN A 91 5.832 -6.947 -14.648 1.00 0.00 C ATOM 1331 C ASN A 91 6.850 -7.314 -13.580 1.00 0.00 C ATOM 1332 O ASN A 91 7.965 -6.830 -13.593 1.00 0.00 O ATOM 1333 CB ASN A 91 6.123 -7.763 -15.916 1.00 0.00 C ATOM 1334 CG ASN A 91 6.989 -8.972 -15.552 1.00 0.00 C ATOM 1335 OD1 ASN A 91 6.491 -10.046 -15.279 1.00 0.00 O ATOM 1336 ND2 ASN A 91 8.288 -8.841 -15.538 1.00 0.00 N ATOM 0 H ASN A 91 6.589 -5.285 -15.740 1.00 0.00 H new ATOM 0 HA ASN A 91 4.831 -7.160 -14.273 1.00 0.00 H new ATOM 0 HB2 ASN A 91 5.190 -8.094 -16.372 1.00 0.00 H new ATOM 0 HB3 ASN A 91 6.635 -7.143 -16.652 1.00 0.00 H new ATOM 0 HD21 ASN A 91 8.878 -9.638 -15.299 1.00 0.00 H new ATOM 0 HD22 ASN A 91 8.712 -7.942 -15.766 1.00 0.00 H new ATOM 1343 N TYR A 92 6.458 -8.163 -12.670 1.00 0.00 N ATOM 1344 CA TYR A 92 7.407 -8.557 -11.602 1.00 0.00 C ATOM 1345 C TYR A 92 7.157 -9.981 -11.127 1.00 0.00 C ATOM 1346 O TYR A 92 6.048 -10.343 -10.787 1.00 0.00 O ATOM 1347 CB TYR A 92 7.212 -7.607 -10.412 1.00 0.00 C ATOM 1348 CG TYR A 92 8.407 -7.729 -9.468 1.00 0.00 C ATOM 1349 CD1 TYR A 92 8.520 -8.807 -8.615 1.00 0.00 C ATOM 1350 CD2 TYR A 92 9.389 -6.762 -9.459 1.00 0.00 C ATOM 1351 CE1 TYR A 92 9.602 -8.916 -7.764 1.00 0.00 C ATOM 1352 CE2 TYR A 92 10.470 -6.868 -8.610 1.00 0.00 C ATOM 1353 CZ TYR A 92 10.586 -7.947 -7.755 1.00 0.00 C ATOM 1354 OH TYR A 92 11.671 -8.057 -6.908 1.00 0.00 O ATOM 0 H TYR A 92 5.534 -8.593 -12.623 1.00 0.00 H new ATOM 0 HA TYR A 92 8.420 -8.502 -12.001 1.00 0.00 H new ATOM 0 HB2 TYR A 92 7.115 -6.580 -10.764 1.00 0.00 H new ATOM 0 HB3 TYR A 92 6.290 -7.851 -9.884 1.00 0.00 H new ATOM 0 HD1 TYR A 92 7.757 -9.571 -8.613 1.00 0.00 H new ATOM 0 HD2 TYR A 92 9.311 -5.914 -10.123 1.00 0.00 H new ATOM 0 HE1 TYR A 92 9.679 -9.765 -7.101 1.00 0.00 H new ATOM 0 HE2 TYR A 92 11.232 -6.102 -8.613 1.00 0.00 H new ATOM 0 HH TYR A 92 12.265 -7.288 -7.035 1.00 0.00 H new ATOM 1364 N ARG A 93 8.200 -10.762 -11.113 1.00 0.00 N ATOM 1365 CA ARG A 93 8.055 -12.163 -10.664 1.00 0.00 C ATOM 1366 C ARG A 93 8.015 -12.213 -9.146 1.00 0.00 C ATOM 1367 O ARG A 93 9.026 -12.029 -8.497 1.00 0.00 O ATOM 1368 CB ARG A 93 9.279 -12.953 -11.155 1.00 0.00 C ATOM 1369 CG ARG A 93 10.490 -12.017 -11.203 1.00 0.00 C ATOM 1370 CD ARG A 93 11.770 -12.852 -11.164 1.00 0.00 C ATOM 1371 NE ARG A 93 12.921 -11.992 -11.562 1.00 0.00 N ATOM 1372 CZ ARG A 93 14.068 -12.140 -10.962 1.00 0.00 C ATOM 1373 NH1 ARG A 93 14.721 -13.260 -11.119 1.00 0.00 N ATOM 1374 NH2 ARG A 93 14.529 -11.163 -10.229 1.00 0.00 N ATOM 0 H ARG A 93 9.141 -10.487 -11.393 1.00 0.00 H new ATOM 0 HA ARG A 93 7.134 -12.588 -11.063 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.478 -13.792 -10.488 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.086 -13.370 -12.143 1.00 0.00 H new ATOM 0 HG2 ARG A 93 10.463 -11.413 -12.110 1.00 0.00 H new ATOM 0 HG3 ARG A 93 10.465 -11.327 -10.360 1.00 0.00 H new ATOM 0 HD2 ARG A 93 11.928 -13.253 -10.163 1.00 0.00 H new ATOM 0 HD3 ARG A 93 11.685 -13.704 -11.839 1.00 0.00 H new ATOM 0 HE ARG A 93 12.811 -11.294 -12.298 1.00 0.00 H new ATOM 0 HH11 ARG A 93 14.331 -14.000 -11.703 1.00 0.00 H new ATOM 0 HH12 ARG A 93 15.621 -13.395 -10.658 1.00 0.00 H new ATOM 0 HH21 ARG A 93 13.993 -10.301 -10.133 1.00 0.00 H new ATOM 0 HH22 ARG A 93 15.425 -11.262 -9.752 1.00 0.00 H new ATOM 1388 N THR A 94 6.844 -12.465 -8.605 1.00 0.00 N ATOM 1389 CA THR A 94 6.716 -12.529 -7.118 1.00 0.00 C ATOM 1390 C THR A 94 6.354 -13.936 -6.661 1.00 0.00 C ATOM 1391 O THR A 94 6.627 -14.838 -7.433 1.00 0.00 O ATOM 1392 CB THR A 94 5.601 -11.561 -6.695 1.00 0.00 C ATOM 1393 OG1 THR A 94 5.235 -10.881 -7.878 1.00 0.00 O ATOM 1394 CG2 THR A 94 6.155 -10.458 -5.770 1.00 0.00 C ATOM 1395 OXT THR A 94 5.833 -14.036 -5.563 1.00 0.00 O ATOM 0 H THR A 94 5.982 -12.627 -9.125 1.00 0.00 H new ATOM 0 HA THR A 94 7.668 -12.257 -6.663 1.00 0.00 H new ATOM 0 HB THR A 94 4.801 -12.109 -6.198 1.00 0.00 H new ATOM 0 HG1 THR A 94 4.519 -10.242 -7.680 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.348 -9.784 -5.483 1.00 0.00 H new ATOM 0 HG22 THR A 94 6.582 -10.913 -4.877 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.927 -9.896 -6.296 1.00 0.00 H new TER 1403 THR A 94