USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 679 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.0505 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0401 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS :FLIP no HD1:sc= -0.359 F(o=-1.3,f=-0.36) USER MOD Single : A 14 ASN :FLIP amide:sc= -0.958 F(o=-2.3,f=-0.96) USER MOD Single : A 17 GLN : amide:sc= -0.847! C(o=-0.85!,f=-0.75!) USER MOD Single : A 20 MET CE :methyl -155:sc= -0.0945 (180deg=-0.494) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.0858 K(o=-0.086,f=-1.6!) USER MOD Single : A 41 GLN : amide:sc= -0.0969 X(o=-0.097,f=-0.14) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl -177:sc= -3.59! (180deg=-3.81!) USER MOD Single : A 50 MET CE :methyl -118:sc= -1.44 (180deg=-4.56!) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 GLN : amide:sc= -3.62! C(o=-3.6!,f=-5.3!) USER MOD Single : A 57 ASN : amide:sc= -0.248 K(o=-0.25,f=-2.6!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.0112) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0427 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00316) USER MOD Single : A 79 MET CE :methyl -137:sc= -0.842 (180deg=-3.41!) USER MOD Single : A 87 GLN : amide:sc= -0.811 X(o=-0.81,f=-1.3) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 37.494 -12.821 16.054 1.00 0.00 N ATOM 2 CA GLY A 1 36.058 -12.739 16.248 1.00 0.00 C ATOM 3 C GLY A 1 35.483 -11.419 15.776 1.00 0.00 C ATOM 4 O GLY A 1 36.056 -10.760 14.908 1.00 0.00 O ATOM 0 H1 GLY A 1 37.732 -13.727 15.602 1.00 0.00 H new ATOM 0 H2 GLY A 1 37.807 -12.038 15.446 1.00 0.00 H new ATOM 0 H3 GLY A 1 37.973 -12.757 16.975 1.00 0.00 H new ATOM 0 HA2 GLY A 1 35.575 -13.555 15.711 1.00 0.00 H new ATOM 0 HA3 GLY A 1 35.829 -12.874 17.305 1.00 0.00 H new ATOM 8 N SER A 2 34.347 -11.031 16.346 1.00 0.00 N ATOM 9 CA SER A 2 33.692 -9.783 15.974 1.00 0.00 C ATOM 10 C SER A 2 32.844 -9.250 17.125 1.00 0.00 C ATOM 11 O SER A 2 32.571 -9.962 18.091 1.00 0.00 O ATOM 12 CB SER A 2 32.817 -9.991 14.736 1.00 0.00 C ATOM 13 OG SER A 2 31.924 -11.076 14.918 1.00 0.00 O ATOM 0 H SER A 2 33.861 -11.563 17.068 1.00 0.00 H new ATOM 0 HA SER A 2 34.466 -9.050 15.745 1.00 0.00 H new ATOM 0 HB2 SER A 2 32.252 -9.082 14.529 1.00 0.00 H new ATOM 0 HB3 SER A 2 33.449 -10.178 13.868 1.00 0.00 H new ATOM 0 HG SER A 2 31.375 -11.187 14.114 1.00 0.00 H new ATOM 19 N SER A 3 32.432 -7.991 17.014 1.00 0.00 N ATOM 20 CA SER A 3 31.619 -7.359 18.047 1.00 0.00 C ATOM 21 C SER A 3 30.262 -6.941 17.490 1.00 0.00 C ATOM 22 O SER A 3 29.218 -7.357 17.991 1.00 0.00 O ATOM 23 CB SER A 3 32.344 -6.141 18.623 1.00 0.00 C ATOM 24 OG SER A 3 32.776 -5.271 17.592 1.00 0.00 O ATOM 0 H SER A 3 32.648 -7.389 16.220 1.00 0.00 H new ATOM 0 HA SER A 3 31.457 -8.086 18.843 1.00 0.00 H new ATOM 0 HB2 SER A 3 31.680 -5.605 19.301 1.00 0.00 H new ATOM 0 HB3 SER A 3 33.202 -6.468 19.210 1.00 0.00 H new ATOM 0 HG SER A 3 33.235 -4.500 17.986 1.00 0.00 H new ATOM 30 N GLY A 4 30.285 -6.115 16.449 1.00 0.00 N ATOM 31 CA GLY A 4 29.052 -5.653 15.839 1.00 0.00 C ATOM 32 C GLY A 4 28.965 -4.141 15.779 1.00 0.00 C ATOM 33 O GLY A 4 29.860 -3.442 16.254 1.00 0.00 O ATOM 0 H GLY A 4 31.137 -5.757 16.017 1.00 0.00 H new ATOM 0 HA2 GLY A 4 28.975 -6.058 14.830 1.00 0.00 H new ATOM 0 HA3 GLY A 4 28.204 -6.040 16.403 1.00 0.00 H new ATOM 37 N SER A 5 27.886 -3.634 15.192 1.00 0.00 N ATOM 38 CA SER A 5 27.689 -2.195 15.066 1.00 0.00 C ATOM 39 C SER A 5 26.265 -1.806 15.451 1.00 0.00 C ATOM 40 O SER A 5 25.326 -2.580 15.264 1.00 0.00 O ATOM 41 CB SER A 5 27.984 -1.742 13.635 1.00 0.00 C ATOM 42 OG SER A 5 27.067 -2.316 12.719 1.00 0.00 O ATOM 0 H SER A 5 27.135 -4.199 14.796 1.00 0.00 H new ATOM 0 HA SER A 5 28.380 -1.698 15.747 1.00 0.00 H new ATOM 0 HB2 SER A 5 27.930 -0.655 13.576 1.00 0.00 H new ATOM 0 HB3 SER A 5 29.001 -2.026 13.363 1.00 0.00 H new ATOM 0 HG SER A 5 27.276 -2.010 11.812 1.00 0.00 H new ATOM 48 N SER A 6 26.113 -0.601 15.991 1.00 0.00 N ATOM 49 CA SER A 6 24.805 -0.109 16.407 1.00 0.00 C ATOM 50 C SER A 6 24.160 0.722 15.301 1.00 0.00 C ATOM 51 O SER A 6 24.843 1.236 14.417 1.00 0.00 O ATOM 52 CB SER A 6 24.933 0.728 17.681 1.00 0.00 C ATOM 53 OG SER A 6 25.826 1.812 17.492 1.00 0.00 O ATOM 0 H SER A 6 26.880 0.053 16.151 1.00 0.00 H new ATOM 0 HA SER A 6 24.168 -0.970 16.609 1.00 0.00 H new ATOM 0 HB2 SER A 6 23.953 1.107 17.971 1.00 0.00 H new ATOM 0 HB3 SER A 6 25.287 0.100 18.499 1.00 0.00 H new ATOM 0 HG SER A 6 25.889 2.332 18.320 1.00 0.00 H new ATOM 59 N GLY A 7 22.838 0.849 15.360 1.00 0.00 N ATOM 60 CA GLY A 7 22.121 1.618 14.359 1.00 0.00 C ATOM 61 C GLY A 7 20.889 2.298 14.922 1.00 0.00 C ATOM 62 O GLY A 7 20.449 1.984 16.029 1.00 0.00 O ATOM 0 H GLY A 7 22.251 0.433 16.083 1.00 0.00 H new ATOM 0 HA2 GLY A 7 22.787 2.371 13.938 1.00 0.00 H new ATOM 0 HA3 GLY A 7 21.827 0.960 13.542 1.00 0.00 H new ATOM 66 N HIS A 8 20.331 3.233 14.160 1.00 0.00 N ATOM 67 CA HIS A 8 19.142 3.960 14.591 1.00 0.00 C ATOM 68 C HIS A 8 18.286 4.361 13.392 1.00 0.00 C ATOM 69 O HIS A 8 18.799 4.573 12.294 1.00 0.00 O ATOM 70 CB HIS A 8 19.539 5.204 15.387 1.00 0.00 C ATOM 71 CG HIS A 8 19.809 6.403 14.530 1.00 0.00 C ATOM 72 ND1 HIS A 8 20.477 6.521 13.359 1.00 0.00 N flip ATOM 73 CD2 HIS A 8 19.371 7.671 14.850 1.00 0.00 C flip ATOM 74 CE1 HIS A 8 20.431 7.845 12.996 1.00 0.00 C flip ATOM 75 NE2 HIS A 8 19.758 8.517 13.913 1.00 0.00 N flip ATOM 0 H HIS A 8 20.682 3.505 13.242 1.00 0.00 H new ATOM 0 HA HIS A 8 18.555 3.301 15.231 1.00 0.00 H new ATOM 0 HB2 HIS A 8 18.743 5.443 16.092 1.00 0.00 H new ATOM 0 HB3 HIS A 8 20.429 4.980 15.975 1.00 0.00 H new ATOM 0 HD2 HIS A 8 18.801 7.931 15.729 1.00 0.00 H new ATOM 0 HE1 HIS A 8 20.873 8.268 12.106 1.00 0.00 H new ATOM 0 HE2 HIS A 8 19.569 9.519 13.899 1.00 0.00 H new ATOM 84 N GLY A 9 16.979 4.461 13.612 1.00 0.00 N ATOM 85 CA GLY A 9 16.073 4.834 12.541 1.00 0.00 C ATOM 86 C GLY A 9 14.906 5.667 13.032 1.00 0.00 C ATOM 87 O GLY A 9 13.824 5.141 13.290 1.00 0.00 O ATOM 0 H GLY A 9 16.531 4.290 14.512 1.00 0.00 H new ATOM 0 HA2 GLY A 9 16.622 5.394 11.784 1.00 0.00 H new ATOM 0 HA3 GLY A 9 15.695 3.933 12.059 1.00 0.00 H new ATOM 91 N ASP A 10 15.126 6.971 13.163 1.00 0.00 N ATOM 92 CA ASP A 10 14.084 7.879 13.628 1.00 0.00 C ATOM 93 C ASP A 10 13.136 8.246 12.490 1.00 0.00 C ATOM 94 O ASP A 10 13.568 8.691 11.428 1.00 0.00 O ATOM 95 CB ASP A 10 14.707 9.145 14.218 1.00 0.00 C ATOM 96 CG ASP A 10 15.111 8.970 15.668 1.00 0.00 C ATOM 97 OD1 ASP A 10 14.239 9.123 16.550 1.00 0.00 O ATOM 98 OD2 ASP A 10 16.298 8.679 15.922 1.00 0.00 O ATOM 0 H ASP A 10 16.016 7.423 12.954 1.00 0.00 H new ATOM 0 HA ASP A 10 13.512 7.370 14.404 1.00 0.00 H new ATOM 0 HB2 ASP A 10 15.582 9.423 13.631 1.00 0.00 H new ATOM 0 HB3 ASP A 10 13.996 9.967 14.139 1.00 0.00 H new ATOM 103 N GLY A 11 11.841 8.054 12.721 1.00 0.00 N ATOM 104 CA GLY A 11 10.852 8.369 11.706 1.00 0.00 C ATOM 105 C GLY A 11 10.073 9.629 12.026 1.00 0.00 C ATOM 106 O GLY A 11 9.543 9.794 13.125 1.00 0.00 O ATOM 0 H GLY A 11 11.459 7.686 13.592 1.00 0.00 H new ATOM 0 HA2 GLY A 11 11.349 8.488 10.743 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.160 7.533 11.606 1.00 0.00 H new ATOM 110 N PRO A 12 9.997 10.546 11.051 1.00 0.00 N ATOM 111 CA PRO A 12 9.281 11.815 11.211 1.00 0.00 C ATOM 112 C PRO A 12 7.769 11.622 11.282 1.00 0.00 C ATOM 113 O PRO A 12 7.071 11.739 10.276 1.00 0.00 O ATOM 114 CB PRO A 12 9.661 12.599 9.953 1.00 0.00 C ATOM 115 CG PRO A 12 10.000 11.556 8.945 1.00 0.00 C ATOM 116 CD PRO A 12 10.605 10.416 9.716 1.00 0.00 C ATOM 0 HA PRO A 12 9.548 12.319 12.140 1.00 0.00 H new ATOM 0 HB2 PRO A 12 8.836 13.225 9.613 1.00 0.00 H new ATOM 0 HB3 PRO A 12 10.508 13.260 10.139 1.00 0.00 H new ATOM 0 HG2 PRO A 12 9.111 11.233 8.404 1.00 0.00 H new ATOM 0 HG3 PRO A 12 10.701 11.942 8.205 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.371 9.454 9.260 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.691 10.492 9.760 1.00 0.00 H new ATOM 124 N GLY A 13 7.270 11.326 12.478 1.00 0.00 N ATOM 125 CA GLY A 13 5.845 11.122 12.657 1.00 0.00 C ATOM 126 C GLY A 13 5.342 9.882 11.945 1.00 0.00 C ATOM 127 O GLY A 13 5.969 8.825 12.010 1.00 0.00 O ATOM 0 H GLY A 13 7.827 11.224 13.326 1.00 0.00 H new ATOM 0 HA2 GLY A 13 5.624 11.041 13.721 1.00 0.00 H new ATOM 0 HA3 GLY A 13 5.307 11.994 12.285 1.00 0.00 H new ATOM 131 N ASN A 14 4.208 10.010 11.265 1.00 0.00 N ATOM 132 CA ASN A 14 3.620 8.889 10.540 1.00 0.00 C ATOM 133 C ASN A 14 4.192 8.795 9.129 1.00 0.00 C ATOM 134 O ASN A 14 4.295 9.796 8.421 1.00 0.00 O ATOM 135 CB ASN A 14 2.099 9.037 10.477 1.00 0.00 C ATOM 136 CG ASN A 14 1.390 7.698 10.405 1.00 0.00 C ATOM 137 OD1 ASN A 14 0.870 7.367 9.228 1.00 0.00 O flip ATOM 138 ND2 ASN A 14 1.311 6.971 11.395 1.00 0.00 N flip ATOM 0 H ASN A 14 3.677 10.879 11.200 1.00 0.00 H new ATOM 0 HA ASN A 14 3.867 7.972 11.075 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.753 9.581 11.356 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.831 9.634 9.606 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.726 7.266 12.279 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.831 6.073 11.331 1.00 0.00 H new ATOM 145 N ALA A 15 4.563 7.584 8.727 1.00 0.00 N ATOM 146 CA ALA A 15 5.123 7.357 7.400 1.00 0.00 C ATOM 147 C ALA A 15 4.023 7.086 6.380 1.00 0.00 C ATOM 148 O ALA A 15 3.083 6.337 6.649 1.00 0.00 O ATOM 149 CB ALA A 15 6.111 6.201 7.434 1.00 0.00 C ATOM 0 H ALA A 15 4.486 6.745 9.301 1.00 0.00 H new ATOM 0 HA ALA A 15 5.650 8.261 7.096 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.521 6.043 6.436 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.920 6.434 8.126 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.601 5.296 7.764 1.00 0.00 H new ATOM 155 N VAL A 16 4.145 7.700 5.207 1.00 0.00 N ATOM 156 CA VAL A 16 3.161 7.524 4.146 1.00 0.00 C ATOM 157 C VAL A 16 3.839 7.312 2.797 1.00 0.00 C ATOM 158 O VAL A 16 4.529 8.198 2.293 1.00 0.00 O ATOM 159 CB VAL A 16 2.217 8.738 4.049 1.00 0.00 C ATOM 160 CG1 VAL A 16 2.932 9.920 3.412 1.00 0.00 C ATOM 161 CG2 VAL A 16 0.964 8.377 3.265 1.00 0.00 C ATOM 0 H VAL A 16 4.916 8.324 4.968 1.00 0.00 H new ATOM 0 HA VAL A 16 2.578 6.639 4.399 1.00 0.00 H new ATOM 0 HB VAL A 16 1.917 9.025 5.057 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.250 10.768 3.352 1.00 0.00 H new ATOM 0 HG12 VAL A 16 3.796 10.192 4.018 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.262 9.648 2.410 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.309 9.246 3.206 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.242 8.064 2.259 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.442 7.562 3.768 1.00 0.00 H new ATOM 171 N GLN A 17 3.637 6.133 2.218 1.00 0.00 N ATOM 172 CA GLN A 17 4.229 5.805 0.927 1.00 0.00 C ATOM 173 C GLN A 17 3.158 5.708 -0.155 1.00 0.00 C ATOM 174 O GLN A 17 2.028 5.302 0.113 1.00 0.00 O ATOM 175 CB GLN A 17 5.001 4.488 1.017 1.00 0.00 C ATOM 176 CG GLN A 17 6.042 4.317 -0.079 1.00 0.00 C ATOM 177 CD GLN A 17 6.765 5.609 -0.404 1.00 0.00 C ATOM 178 OE1 GLN A 17 6.825 6.026 -1.561 1.00 0.00 O ATOM 179 NE2 GLN A 17 7.319 6.251 0.618 1.00 0.00 N ATOM 0 H GLN A 17 3.068 5.389 2.622 1.00 0.00 H new ATOM 0 HA GLN A 17 4.919 6.605 0.658 1.00 0.00 H new ATOM 0 HB2 GLN A 17 5.494 4.431 1.987 1.00 0.00 H new ATOM 0 HB3 GLN A 17 4.295 3.659 0.969 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.769 3.566 0.230 1.00 0.00 H new ATOM 0 HG3 GLN A 17 5.557 3.940 -0.980 1.00 0.00 H new ATOM 0 HE21 GLN A 17 7.245 5.869 1.561 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.819 7.126 0.460 1.00 0.00 H new ATOM 188 N GLU A 18 3.523 6.084 -1.377 1.00 0.00 N ATOM 189 CA GLU A 18 2.592 6.040 -2.498 1.00 0.00 C ATOM 190 C GLU A 18 3.099 5.102 -3.590 1.00 0.00 C ATOM 191 O GLU A 18 4.289 5.088 -3.907 1.00 0.00 O ATOM 192 CB GLU A 18 2.383 7.443 -3.072 1.00 0.00 C ATOM 193 CG GLU A 18 1.564 8.353 -2.171 1.00 0.00 C ATOM 194 CD GLU A 18 1.148 9.636 -2.863 1.00 0.00 C ATOM 195 OE1 GLU A 18 0.801 9.578 -4.061 1.00 0.00 O ATOM 196 OE2 GLU A 18 1.168 10.698 -2.207 1.00 0.00 O ATOM 0 H GLU A 18 4.455 6.422 -1.615 1.00 0.00 H new ATOM 0 HA GLU A 18 1.639 5.660 -2.130 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.355 7.902 -3.251 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.887 7.361 -4.039 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.674 7.821 -1.835 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.145 8.596 -1.281 1.00 0.00 H new ATOM 203 N ILE A 19 2.189 4.321 -4.161 1.00 0.00 N ATOM 204 CA ILE A 19 2.543 3.381 -5.217 1.00 0.00 C ATOM 205 C ILE A 19 1.524 3.419 -6.351 1.00 0.00 C ATOM 206 O ILE A 19 0.418 3.932 -6.188 1.00 0.00 O ATOM 207 CB ILE A 19 2.644 1.942 -4.680 1.00 0.00 C ATOM 208 CG1 ILE A 19 1.731 1.763 -3.465 1.00 0.00 C ATOM 209 CG2 ILE A 19 4.084 1.610 -4.320 1.00 0.00 C ATOM 210 CD1 ILE A 19 2.378 2.168 -2.158 1.00 0.00 C ATOM 0 H ILE A 19 1.200 4.320 -3.910 1.00 0.00 H new ATOM 0 HA ILE A 19 3.518 3.686 -5.597 1.00 0.00 H new ATOM 0 HB ILE A 19 2.318 1.255 -5.461 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.826 2.352 -3.611 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.425 0.719 -3.401 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.138 0.589 -3.942 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.711 1.703 -5.207 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.436 2.300 -3.553 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.674 2.015 -1.340 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.268 1.561 -1.989 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.659 3.220 -2.202 1.00 0.00 H new ATOM 222 N MET A 20 1.905 2.869 -7.500 1.00 0.00 N ATOM 223 CA MET A 20 1.023 2.837 -8.661 1.00 0.00 C ATOM 224 C MET A 20 0.341 1.478 -8.788 1.00 0.00 C ATOM 225 O MET A 20 1.007 0.450 -8.922 1.00 0.00 O ATOM 226 CB MET A 20 1.810 3.147 -9.935 1.00 0.00 C ATOM 227 CG MET A 20 3.097 2.349 -10.064 1.00 0.00 C ATOM 228 SD MET A 20 3.558 2.047 -11.781 1.00 0.00 S ATOM 229 CE MET A 20 2.278 0.895 -12.277 1.00 0.00 C ATOM 0 H MET A 20 2.818 2.440 -7.652 1.00 0.00 H new ATOM 0 HA MET A 20 0.255 3.598 -8.524 1.00 0.00 H new ATOM 0 HB2 MET A 20 1.179 2.945 -10.800 1.00 0.00 H new ATOM 0 HB3 MET A 20 2.048 4.210 -9.955 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.904 2.885 -9.564 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.981 1.395 -9.550 1.00 0.00 H new ATOM 0 HE1 MET A 20 2.638 0.285 -13.105 1.00 0.00 H new ATOM 0 HE2 MET A 20 2.023 0.250 -11.436 1.00 0.00 H new ATOM 0 HE3 MET A 20 1.393 1.448 -12.592 1.00 0.00 H new ATOM 239 N ILE A 21 -0.987 1.480 -8.745 1.00 0.00 N ATOM 240 CA ILE A 21 -1.756 0.247 -8.857 1.00 0.00 C ATOM 241 C ILE A 21 -2.698 0.294 -10.055 1.00 0.00 C ATOM 242 O ILE A 21 -3.511 1.207 -10.203 1.00 0.00 O ATOM 243 CB ILE A 21 -2.579 -0.020 -7.582 1.00 0.00 C ATOM 244 CG1 ILE A 21 -1.762 0.336 -6.338 1.00 0.00 C ATOM 245 CG2 ILE A 21 -3.021 -1.475 -7.533 1.00 0.00 C ATOM 246 CD1 ILE A 21 -0.747 -0.719 -5.959 1.00 0.00 C ATOM 0 H ILE A 21 -1.553 2.321 -8.633 1.00 0.00 H new ATOM 0 HA ILE A 21 -1.038 -0.562 -8.993 1.00 0.00 H new ATOM 0 HB ILE A 21 -3.468 0.610 -7.602 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.245 1.280 -6.511 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.441 0.493 -5.500 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.601 -1.649 -6.627 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.635 -1.698 -8.405 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.144 -2.122 -7.532 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.205 -0.399 -5.069 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.259 -1.659 -5.754 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.044 -0.860 -6.780 1.00 0.00 H new ATOM 258 N PRO A 22 -2.589 -0.715 -10.933 1.00 0.00 N ATOM 259 CA PRO A 22 -3.424 -0.814 -12.133 1.00 0.00 C ATOM 260 C PRO A 22 -4.879 -1.129 -11.803 1.00 0.00 C ATOM 261 O PRO A 22 -5.181 -2.166 -11.214 1.00 0.00 O ATOM 262 CB PRO A 22 -2.790 -1.969 -12.912 1.00 0.00 C ATOM 263 CG PRO A 22 -2.113 -2.798 -11.877 1.00 0.00 C ATOM 264 CD PRO A 22 -1.642 -1.837 -10.820 1.00 0.00 C ATOM 0 HA PRO A 22 -3.455 0.125 -12.686 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.544 -2.545 -13.449 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -2.079 -1.603 -13.653 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -2.798 -3.535 -11.457 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.275 -3.349 -12.305 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.668 -2.287 -9.827 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.616 -1.516 -10.997 1.00 0.00 H new ATOM 272 N ALA A 23 -5.777 -0.227 -12.186 1.00 0.00 N ATOM 273 CA ALA A 23 -7.200 -0.411 -11.933 1.00 0.00 C ATOM 274 C ALA A 23 -7.605 -1.871 -12.106 1.00 0.00 C ATOM 275 O ALA A 23 -8.565 -2.336 -11.492 1.00 0.00 O ATOM 276 CB ALA A 23 -8.020 0.479 -12.856 1.00 0.00 C ATOM 0 H ALA A 23 -5.544 0.638 -12.673 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.399 -0.126 -10.900 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.081 0.331 -12.656 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.760 1.523 -12.681 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.807 0.221 -13.894 1.00 0.00 H new ATOM 282 N SER A 24 -6.867 -2.589 -12.946 1.00 0.00 N ATOM 283 CA SER A 24 -7.152 -3.996 -13.203 1.00 0.00 C ATOM 284 C SER A 24 -6.905 -4.837 -11.954 1.00 0.00 C ATOM 285 O SER A 24 -7.757 -5.626 -11.543 1.00 0.00 O ATOM 286 CB SER A 24 -6.289 -4.510 -14.357 1.00 0.00 C ATOM 287 OG SER A 24 -6.522 -3.765 -15.540 1.00 0.00 O ATOM 0 H SER A 24 -6.067 -2.220 -13.460 1.00 0.00 H new ATOM 0 HA SER A 24 -8.203 -4.085 -13.477 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.236 -4.445 -14.084 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.507 -5.563 -14.538 1.00 0.00 H new ATOM 0 HG SER A 24 -5.957 -4.112 -16.262 1.00 0.00 H new ATOM 293 N LYS A 25 -5.732 -4.664 -11.354 1.00 0.00 N ATOM 294 CA LYS A 25 -5.371 -5.405 -10.152 1.00 0.00 C ATOM 295 C LYS A 25 -6.005 -4.777 -8.915 1.00 0.00 C ATOM 296 O LYS A 25 -5.952 -5.343 -7.823 1.00 0.00 O ATOM 297 CB LYS A 25 -3.849 -5.447 -9.992 1.00 0.00 C ATOM 298 CG LYS A 25 -3.126 -6.017 -11.199 1.00 0.00 C ATOM 299 CD LYS A 25 -3.265 -7.529 -11.270 1.00 0.00 C ATOM 300 CE LYS A 25 -2.869 -8.062 -12.638 1.00 0.00 C ATOM 301 NZ LYS A 25 -4.021 -8.081 -13.581 1.00 0.00 N ATOM 0 H LYS A 25 -5.015 -4.017 -11.681 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.748 -6.422 -10.255 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.484 -4.437 -9.804 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.601 -6.044 -9.115 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.527 -5.571 -12.109 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.070 -5.750 -11.152 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.640 -7.989 -10.504 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.295 -7.811 -11.053 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.072 -7.444 -13.051 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.469 -9.071 -12.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.710 -8.451 -14.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.772 -8.691 -13.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.387 -7.115 -13.702 1.00 0.00 H new ATOM 315 N ALA A 26 -6.606 -3.605 -9.093 1.00 0.00 N ATOM 316 CA ALA A 26 -7.254 -2.903 -7.993 1.00 0.00 C ATOM 317 C ALA A 26 -8.421 -3.712 -7.436 1.00 0.00 C ATOM 318 O ALA A 26 -8.800 -3.555 -6.277 1.00 0.00 O ATOM 319 CB ALA A 26 -7.730 -1.532 -8.448 1.00 0.00 C ATOM 0 H ALA A 26 -6.657 -3.122 -9.990 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.521 -2.775 -7.196 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.212 -1.019 -7.616 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.877 -0.946 -8.790 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.442 -1.647 -9.265 1.00 0.00 H new ATOM 325 N GLY A 27 -8.986 -4.578 -8.272 1.00 0.00 N ATOM 326 CA GLY A 27 -10.105 -5.398 -7.845 1.00 0.00 C ATOM 327 C GLY A 27 -9.662 -6.726 -7.265 1.00 0.00 C ATOM 328 O GLY A 27 -10.492 -7.550 -6.877 1.00 0.00 O ATOM 0 H GLY A 27 -8.689 -4.726 -9.237 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.686 -4.855 -7.099 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.765 -5.578 -8.694 1.00 0.00 H new ATOM 332 N LEU A 28 -8.352 -6.936 -7.205 1.00 0.00 N ATOM 333 CA LEU A 28 -7.799 -8.175 -6.669 1.00 0.00 C ATOM 334 C LEU A 28 -7.282 -7.971 -5.248 1.00 0.00 C ATOM 335 O LEU A 28 -7.485 -8.814 -4.375 1.00 0.00 O ATOM 336 CB LEU A 28 -6.671 -8.684 -7.567 1.00 0.00 C ATOM 337 CG LEU A 28 -7.102 -9.396 -8.849 1.00 0.00 C ATOM 338 CD1 LEU A 28 -7.404 -8.385 -9.945 1.00 0.00 C ATOM 339 CD2 LEU A 28 -6.028 -10.373 -9.304 1.00 0.00 C ATOM 0 H LEU A 28 -7.652 -6.264 -7.521 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.596 -8.918 -6.642 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.041 -7.837 -7.840 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.052 -9.368 -6.986 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.012 -9.959 -8.641 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.709 -8.910 -10.850 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.208 -7.725 -9.620 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.511 -7.795 -10.151 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.352 -10.871 -10.218 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.101 -9.832 -9.495 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.860 -11.117 -8.526 1.00 0.00 H new ATOM 351 N VAL A 29 -6.614 -6.844 -5.024 1.00 0.00 N ATOM 352 CA VAL A 29 -6.070 -6.526 -3.709 1.00 0.00 C ATOM 353 C VAL A 29 -7.128 -5.886 -2.817 1.00 0.00 C ATOM 354 O VAL A 29 -7.094 -6.032 -1.595 1.00 0.00 O ATOM 355 CB VAL A 29 -4.861 -5.578 -3.815 1.00 0.00 C ATOM 356 CG1 VAL A 29 -5.199 -4.378 -4.686 1.00 0.00 C ATOM 357 CG2 VAL A 29 -4.410 -5.134 -2.432 1.00 0.00 C ATOM 0 H VAL A 29 -6.436 -6.136 -5.736 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.745 -7.467 -3.265 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.038 -6.117 -4.284 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.333 -3.719 -4.750 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.470 -4.719 -5.685 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.037 -3.835 -4.248 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.555 -4.465 -2.526 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.227 -4.612 -1.933 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.125 -6.007 -1.845 1.00 0.00 H new ATOM 367 N ILE A 30 -8.065 -5.177 -3.436 1.00 0.00 N ATOM 368 CA ILE A 30 -9.134 -4.515 -2.698 1.00 0.00 C ATOM 369 C ILE A 30 -10.248 -5.495 -2.346 1.00 0.00 C ATOM 370 O ILE A 30 -10.553 -5.710 -1.174 1.00 0.00 O ATOM 371 CB ILE A 30 -9.730 -3.344 -3.500 1.00 0.00 C ATOM 372 CG1 ILE A 30 -8.637 -2.338 -3.865 1.00 0.00 C ATOM 373 CG2 ILE A 30 -10.837 -2.666 -2.705 1.00 0.00 C ATOM 374 CD1 ILE A 30 -9.123 -1.212 -4.751 1.00 0.00 C ATOM 0 H ILE A 30 -8.106 -5.046 -4.447 1.00 0.00 H new ATOM 0 HA ILE A 30 -8.691 -4.128 -1.780 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.159 -3.736 -4.422 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -8.223 -1.916 -2.949 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.826 -2.862 -4.370 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -11.248 -1.840 -3.285 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.626 -3.387 -2.491 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -10.431 -2.284 -1.768 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -8.295 -0.537 -4.969 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -9.511 -1.624 -5.683 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -9.914 -0.663 -4.240 1.00 0.00 H new ATOM 386 N GLY A 31 -10.851 -6.090 -3.372 1.00 0.00 N ATOM 387 CA GLY A 31 -11.923 -7.042 -3.150 1.00 0.00 C ATOM 388 C GLY A 31 -13.292 -6.391 -3.181 1.00 0.00 C ATOM 389 O GLY A 31 -13.408 -5.179 -3.359 1.00 0.00 O ATOM 0 H GLY A 31 -10.616 -5.929 -4.351 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.877 -7.821 -3.912 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.778 -7.530 -2.186 1.00 0.00 H new ATOM 393 N LYS A 32 -14.333 -7.199 -3.008 1.00 0.00 N ATOM 394 CA LYS A 32 -15.702 -6.696 -3.017 1.00 0.00 C ATOM 395 C LYS A 32 -15.889 -5.611 -1.961 1.00 0.00 C ATOM 396 O LYS A 32 -16.306 -5.890 -0.838 1.00 0.00 O ATOM 397 CB LYS A 32 -16.689 -7.839 -2.769 1.00 0.00 C ATOM 398 CG LYS A 32 -16.581 -8.965 -3.783 1.00 0.00 C ATOM 399 CD LYS A 32 -17.496 -8.732 -4.974 1.00 0.00 C ATOM 400 CE LYS A 32 -16.808 -7.911 -6.054 1.00 0.00 C ATOM 401 NZ LYS A 32 -17.472 -8.068 -7.377 1.00 0.00 N ATOM 0 H LYS A 32 -14.255 -8.205 -2.860 1.00 0.00 H new ATOM 0 HA LYS A 32 -15.897 -6.262 -3.998 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -16.521 -8.243 -1.771 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -17.704 -7.442 -2.786 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -15.550 -9.049 -4.126 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -16.837 -9.911 -3.306 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -17.808 -9.691 -5.388 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -18.399 -8.218 -4.645 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -16.812 -6.859 -5.768 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -15.765 -8.216 -6.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -16.974 -7.493 -8.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -17.446 -9.068 -7.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -18.461 -7.753 -7.309 1.00 0.00 H new ATOM 415 N GLY A 33 -15.579 -4.372 -2.330 1.00 0.00 N ATOM 416 CA GLY A 33 -15.722 -3.264 -1.404 1.00 0.00 C ATOM 417 C GLY A 33 -14.417 -2.910 -0.718 1.00 0.00 C ATOM 418 O GLY A 33 -14.158 -1.743 -0.426 1.00 0.00 O ATOM 0 H GLY A 33 -15.231 -4.116 -3.254 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.095 -2.392 -1.941 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.468 -3.518 -0.651 1.00 0.00 H new ATOM 422 N GLY A 34 -13.593 -3.920 -0.459 1.00 0.00 N ATOM 423 CA GLY A 34 -12.319 -3.689 0.196 1.00 0.00 C ATOM 424 C GLY A 34 -12.100 -4.610 1.380 1.00 0.00 C ATOM 425 O GLY A 34 -11.746 -4.158 2.468 1.00 0.00 O ATOM 0 H GLY A 34 -13.785 -4.895 -0.691 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.513 -3.830 -0.524 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.269 -2.653 0.531 1.00 0.00 H new ATOM 429 N GLU A 35 -12.313 -5.905 1.168 1.00 0.00 N ATOM 430 CA GLU A 35 -12.140 -6.891 2.228 1.00 0.00 C ATOM 431 C GLU A 35 -10.693 -7.373 2.292 1.00 0.00 C ATOM 432 O GLU A 35 -10.094 -7.436 3.366 1.00 0.00 O ATOM 433 CB GLU A 35 -13.076 -8.081 2.007 1.00 0.00 C ATOM 434 CG GLU A 35 -14.516 -7.804 2.404 1.00 0.00 C ATOM 435 CD GLU A 35 -14.744 -7.925 3.898 1.00 0.00 C ATOM 436 OE1 GLU A 35 -14.024 -8.715 4.545 1.00 0.00 O ATOM 437 OE2 GLU A 35 -15.641 -7.232 4.420 1.00 0.00 O ATOM 0 H GLU A 35 -12.605 -6.295 0.272 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.389 -6.414 3.176 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -13.046 -8.366 0.955 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -12.708 -8.933 2.578 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -14.792 -6.801 2.078 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -15.173 -8.500 1.883 1.00 0.00 H new ATOM 444 N THR A 36 -10.137 -7.712 1.133 1.00 0.00 N ATOM 445 CA THR A 36 -8.763 -8.190 1.055 1.00 0.00 C ATOM 446 C THR A 36 -7.787 -7.147 1.589 1.00 0.00 C ATOM 447 O THR A 36 -7.093 -7.383 2.578 1.00 0.00 O ATOM 448 CB THR A 36 -8.373 -8.548 -0.391 1.00 0.00 C ATOM 449 OG1 THR A 36 -9.229 -9.583 -0.888 1.00 0.00 O ATOM 450 CG2 THR A 36 -6.923 -9.003 -0.465 1.00 0.00 C ATOM 0 H THR A 36 -10.618 -7.664 0.235 1.00 0.00 H new ATOM 0 HA THR A 36 -8.706 -9.087 1.671 1.00 0.00 H new ATOM 0 HB THR A 36 -8.488 -7.655 -1.006 1.00 0.00 H new ATOM 0 HG1 THR A 36 -8.975 -9.803 -1.809 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.671 -9.250 -1.496 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.272 -8.202 -0.115 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.785 -9.883 0.163 1.00 0.00 H new ATOM 458 N ILE A 37 -7.740 -5.995 0.929 1.00 0.00 N ATOM 459 CA ILE A 37 -6.851 -4.916 1.339 1.00 0.00 C ATOM 460 C ILE A 37 -6.985 -4.630 2.831 1.00 0.00 C ATOM 461 O ILE A 37 -6.033 -4.194 3.479 1.00 0.00 O ATOM 462 CB ILE A 37 -7.135 -3.622 0.553 1.00 0.00 C ATOM 463 CG1 ILE A 37 -6.311 -2.464 1.120 1.00 0.00 C ATOM 464 CG2 ILE A 37 -8.620 -3.293 0.594 1.00 0.00 C ATOM 465 CD1 ILE A 37 -6.611 -1.133 0.466 1.00 0.00 C ATOM 0 H ILE A 37 -8.307 -5.785 0.108 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.835 -5.246 1.124 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.845 -3.774 -0.487 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.499 -2.384 2.191 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.251 -2.689 0.999 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -8.805 -2.376 0.034 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -9.186 -4.111 0.148 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.934 -3.156 1.629 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -5.991 -0.358 0.917 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -6.395 -1.195 -0.601 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -7.663 -0.886 0.610 1.00 0.00 H new ATOM 477 N LYS A 38 -8.172 -4.881 3.372 1.00 0.00 N ATOM 478 CA LYS A 38 -8.432 -4.655 4.789 1.00 0.00 C ATOM 479 C LYS A 38 -7.589 -5.588 5.652 1.00 0.00 C ATOM 480 O LYS A 38 -7.166 -5.220 6.748 1.00 0.00 O ATOM 481 CB LYS A 38 -9.917 -4.861 5.096 1.00 0.00 C ATOM 482 CG LYS A 38 -10.375 -4.178 6.373 1.00 0.00 C ATOM 483 CD LYS A 38 -11.870 -4.343 6.588 1.00 0.00 C ATOM 484 CE LYS A 38 -12.448 -3.189 7.392 1.00 0.00 C ATOM 485 NZ LYS A 38 -12.903 -2.075 6.514 1.00 0.00 N ATOM 0 H LYS A 38 -8.971 -5.242 2.850 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.159 -3.626 5.023 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.508 -4.485 4.261 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.119 -5.929 5.173 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.836 -4.595 7.223 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.128 -3.117 6.328 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.373 -4.403 5.623 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.063 -5.282 7.107 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.287 -3.547 7.989 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.696 -2.819 8.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.290 -1.308 7.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.098 -1.717 5.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.639 -2.422 5.866 1.00 0.00 H new ATOM 499 N GLN A 39 -7.348 -6.794 5.150 1.00 0.00 N ATOM 500 CA GLN A 39 -6.554 -7.779 5.877 1.00 0.00 C ATOM 501 C GLN A 39 -5.063 -7.496 5.723 1.00 0.00 C ATOM 502 O GLN A 39 -4.253 -7.917 6.550 1.00 0.00 O ATOM 503 CB GLN A 39 -6.872 -9.189 5.378 1.00 0.00 C ATOM 504 CG GLN A 39 -8.178 -9.747 5.921 1.00 0.00 C ATOM 505 CD GLN A 39 -8.159 -11.257 6.052 1.00 0.00 C ATOM 506 OE1 GLN A 39 -7.218 -11.918 5.611 1.00 0.00 O ATOM 507 NE2 GLN A 39 -9.200 -11.812 6.661 1.00 0.00 N ATOM 0 H GLN A 39 -7.690 -7.113 4.244 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.811 -7.709 6.934 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -6.916 -9.179 4.289 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.057 -9.857 5.658 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.380 -9.304 6.896 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.995 -9.454 5.262 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -9.958 -11.226 7.011 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -9.242 -12.824 6.779 1.00 0.00 H new ATOM 516 N LEU A 40 -4.708 -6.782 4.661 1.00 0.00 N ATOM 517 CA LEU A 40 -3.313 -6.443 4.399 1.00 0.00 C ATOM 518 C LEU A 40 -2.810 -5.401 5.392 1.00 0.00 C ATOM 519 O LEU A 40 -1.612 -5.317 5.663 1.00 0.00 O ATOM 520 CB LEU A 40 -3.155 -5.921 2.970 1.00 0.00 C ATOM 521 CG LEU A 40 -3.132 -6.980 1.867 1.00 0.00 C ATOM 522 CD1 LEU A 40 -3.214 -6.325 0.497 1.00 0.00 C ATOM 523 CD2 LEU A 40 -1.879 -7.837 1.976 1.00 0.00 C ATOM 0 H LEU A 40 -5.366 -6.427 3.967 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.716 -7.347 4.517 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.972 -5.229 2.765 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.230 -5.347 2.914 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.001 -7.626 1.991 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.196 -7.094 -0.275 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.140 -5.755 0.421 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.364 -5.656 0.362 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.880 -8.585 1.183 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.996 -7.205 1.878 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.862 -8.336 2.945 1.00 0.00 H new ATOM 535 N GLN A 41 -3.733 -4.612 5.933 1.00 0.00 N ATOM 536 CA GLN A 41 -3.382 -3.577 6.897 1.00 0.00 C ATOM 537 C GLN A 41 -2.845 -4.192 8.185 1.00 0.00 C ATOM 538 O GLN A 41 -2.041 -3.580 8.888 1.00 0.00 O ATOM 539 CB GLN A 41 -4.599 -2.703 7.205 1.00 0.00 C ATOM 540 CG GLN A 41 -5.091 -1.903 6.009 1.00 0.00 C ATOM 541 CD GLN A 41 -6.390 -1.173 6.290 1.00 0.00 C ATOM 542 OE1 GLN A 41 -6.582 -0.617 7.371 1.00 0.00 O ATOM 543 NE2 GLN A 41 -7.292 -1.172 5.315 1.00 0.00 N ATOM 0 H GLN A 41 -4.729 -4.670 5.720 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.600 -2.958 6.458 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.409 -3.337 7.566 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.348 -2.016 8.013 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.327 -1.180 5.721 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.231 -2.573 5.161 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.091 -1.646 4.434 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.185 -0.698 5.447 1.00 0.00 H new ATOM 552 N GLU A 42 -3.295 -5.406 8.488 1.00 0.00 N ATOM 553 CA GLU A 42 -2.860 -6.103 9.693 1.00 0.00 C ATOM 554 C GLU A 42 -1.575 -6.884 9.435 1.00 0.00 C ATOM 555 O GLU A 42 -0.642 -6.848 10.237 1.00 0.00 O ATOM 556 CB GLU A 42 -3.956 -7.050 10.185 1.00 0.00 C ATOM 557 CG GLU A 42 -5.257 -6.346 10.532 1.00 0.00 C ATOM 558 CD GLU A 42 -6.077 -7.108 11.556 1.00 0.00 C ATOM 559 OE1 GLU A 42 -6.569 -8.206 11.222 1.00 0.00 O ATOM 560 OE2 GLU A 42 -6.226 -6.606 12.690 1.00 0.00 O ATOM 0 H GLU A 42 -3.960 -5.927 7.916 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.663 -5.357 10.463 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.151 -7.797 9.416 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.596 -7.584 11.064 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.036 -5.351 10.917 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.847 -6.213 9.625 1.00 0.00 H new ATOM 567 N ARG A 43 -1.535 -7.591 8.310 1.00 0.00 N ATOM 568 CA ARG A 43 -0.366 -8.383 7.946 1.00 0.00 C ATOM 569 C ARG A 43 0.897 -7.528 7.965 1.00 0.00 C ATOM 570 O ARG A 43 1.976 -8.005 8.316 1.00 0.00 O ATOM 571 CB ARG A 43 -0.555 -9.003 6.561 1.00 0.00 C ATOM 572 CG ARG A 43 -1.243 -10.359 6.588 1.00 0.00 C ATOM 573 CD ARG A 43 -1.450 -10.907 5.185 1.00 0.00 C ATOM 574 NE ARG A 43 -2.541 -11.877 5.132 1.00 0.00 N ATOM 575 CZ ARG A 43 -3.216 -12.163 4.025 1.00 0.00 C ATOM 576 NH1 ARG A 43 -2.914 -11.557 2.885 1.00 0.00 N ATOM 577 NH2 ARG A 43 -4.196 -13.057 4.056 1.00 0.00 N ATOM 0 H ARG A 43 -2.299 -7.631 7.635 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.255 -9.180 8.681 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.140 -8.321 5.944 1.00 0.00 H new ATOM 0 HB3 ARG A 43 0.419 -9.109 6.084 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.644 -11.060 7.169 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.206 -10.270 7.091 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.663 -10.084 4.502 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.529 -11.378 4.840 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.798 -12.361 5.992 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.161 -10.869 2.857 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.434 -11.779 2.036 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -4.432 -13.525 4.931 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.714 -13.276 3.205 1.00 0.00 H new ATOM 591 N ALA A 44 0.755 -6.263 7.583 1.00 0.00 N ATOM 592 CA ALA A 44 1.884 -5.342 7.558 1.00 0.00 C ATOM 593 C ALA A 44 1.807 -4.346 8.710 1.00 0.00 C ATOM 594 O ALA A 44 2.828 -3.857 9.191 1.00 0.00 O ATOM 595 CB ALA A 44 1.936 -4.608 6.226 1.00 0.00 C ATOM 0 H ALA A 44 -0.131 -5.853 7.287 1.00 0.00 H new ATOM 0 HA ALA A 44 2.798 -5.924 7.677 1.00 0.00 H new ATOM 0 HB1 ALA A 44 2.784 -3.923 6.221 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.047 -5.330 5.417 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.014 -4.044 6.085 1.00 0.00 H new ATOM 601 N GLY A 45 0.587 -4.049 9.149 1.00 0.00 N ATOM 602 CA GLY A 45 0.399 -3.112 10.241 1.00 0.00 C ATOM 603 C GLY A 45 0.387 -1.671 9.773 1.00 0.00 C ATOM 604 O GLY A 45 1.089 -0.825 10.326 1.00 0.00 O ATOM 0 H GLY A 45 -0.274 -4.441 8.768 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.540 -3.334 10.748 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.196 -3.247 10.972 1.00 0.00 H new ATOM 608 N VAL A 46 -0.412 -1.390 8.748 1.00 0.00 N ATOM 609 CA VAL A 46 -0.512 -0.041 8.205 1.00 0.00 C ATOM 610 C VAL A 46 -1.865 0.184 7.538 1.00 0.00 C ATOM 611 O VAL A 46 -2.549 -0.767 7.159 1.00 0.00 O ATOM 612 CB VAL A 46 0.605 0.237 7.181 1.00 0.00 C ATOM 613 CG1 VAL A 46 1.972 0.120 7.837 1.00 0.00 C ATOM 614 CG2 VAL A 46 0.489 -0.712 5.997 1.00 0.00 C ATOM 0 H VAL A 46 -0.999 -2.079 8.277 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.404 0.646 9.044 1.00 0.00 H new ATOM 0 HB VAL A 46 0.492 1.257 6.813 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.748 0.320 7.098 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.049 0.843 8.649 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.100 -0.887 8.235 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.285 -0.502 5.283 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.576 -1.741 6.346 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.478 -0.573 5.513 1.00 0.00 H new ATOM 624 N LYS A 47 -2.246 1.449 7.397 1.00 0.00 N ATOM 625 CA LYS A 47 -3.517 1.801 6.775 1.00 0.00 C ATOM 626 C LYS A 47 -3.356 1.966 5.267 1.00 0.00 C ATOM 627 O LYS A 47 -2.586 2.807 4.803 1.00 0.00 O ATOM 628 CB LYS A 47 -4.066 3.093 7.384 1.00 0.00 C ATOM 629 CG LYS A 47 -5.577 3.214 7.293 1.00 0.00 C ATOM 630 CD LYS A 47 -6.033 4.654 7.457 1.00 0.00 C ATOM 631 CE LYS A 47 -7.483 4.832 7.034 1.00 0.00 C ATOM 632 NZ LYS A 47 -8.427 4.260 8.034 1.00 0.00 N ATOM 0 H LYS A 47 -1.692 2.248 7.705 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.222 0.991 6.962 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.768 3.146 8.431 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.611 3.945 6.879 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.916 2.832 6.330 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.039 2.595 8.062 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.917 4.957 8.498 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.396 5.308 6.861 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.695 5.893 6.900 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.641 4.351 6.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.405 4.401 7.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.242 3.242 8.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.294 4.736 8.949 1.00 0.00 H new ATOM 646 N MET A 48 -4.089 1.159 4.507 1.00 0.00 N ATOM 647 CA MET A 48 -4.029 1.218 3.051 1.00 0.00 C ATOM 648 C MET A 48 -5.215 1.995 2.489 1.00 0.00 C ATOM 649 O MET A 48 -6.368 1.604 2.669 1.00 0.00 O ATOM 650 CB MET A 48 -4.006 -0.194 2.462 1.00 0.00 C ATOM 651 CG MET A 48 -2.629 -0.839 2.485 1.00 0.00 C ATOM 652 SD MET A 48 -2.642 -2.526 1.847 1.00 0.00 S ATOM 653 CE MET A 48 -1.004 -3.078 2.318 1.00 0.00 C ATOM 0 H MET A 48 -4.731 0.457 4.875 1.00 0.00 H new ATOM 0 HA MET A 48 -3.112 1.736 2.771 1.00 0.00 H new ATOM 0 HB2 MET A 48 -4.702 -0.822 3.018 1.00 0.00 H new ATOM 0 HB3 MET A 48 -4.363 -0.156 1.433 1.00 0.00 H new ATOM 0 HG2 MET A 48 -1.940 -0.236 1.894 1.00 0.00 H new ATOM 0 HG3 MET A 48 -2.251 -0.844 3.507 1.00 0.00 H new ATOM 0 HE1 MET A 48 -0.840 -4.089 1.945 1.00 0.00 H new ATOM 0 HE2 MET A 48 -0.258 -2.408 1.891 1.00 0.00 H new ATOM 0 HE3 MET A 48 -0.917 -3.073 3.405 1.00 0.00 H new ATOM 663 N VAL A 49 -4.924 3.099 1.808 1.00 0.00 N ATOM 664 CA VAL A 49 -5.967 3.932 1.220 1.00 0.00 C ATOM 665 C VAL A 49 -5.689 4.199 -0.255 1.00 0.00 C ATOM 666 O VAL A 49 -4.744 4.907 -0.601 1.00 0.00 O ATOM 667 CB VAL A 49 -6.095 5.277 1.959 1.00 0.00 C ATOM 668 CG1 VAL A 49 -7.168 6.141 1.313 1.00 0.00 C ATOM 669 CG2 VAL A 49 -6.398 5.048 3.432 1.00 0.00 C ATOM 0 H VAL A 49 -3.975 3.437 1.650 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.904 3.383 1.317 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.144 5.805 1.885 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.244 7.087 1.848 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.903 6.333 0.273 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.126 5.623 1.354 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.485 6.009 3.939 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.335 4.500 3.530 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.591 4.471 3.884 1.00 0.00 H new ATOM 679 N MET A 50 -6.520 3.628 -1.121 1.00 0.00 N ATOM 680 CA MET A 50 -6.364 3.807 -2.560 1.00 0.00 C ATOM 681 C MET A 50 -6.827 5.196 -2.989 1.00 0.00 C ATOM 682 O MET A 50 -7.972 5.579 -2.751 1.00 0.00 O ATOM 683 CB MET A 50 -7.155 2.737 -3.317 1.00 0.00 C ATOM 684 CG MET A 50 -6.455 1.388 -3.370 1.00 0.00 C ATOM 685 SD MET A 50 -5.386 1.216 -4.811 1.00 0.00 S ATOM 686 CE MET A 50 -5.014 -0.535 -4.749 1.00 0.00 C ATOM 0 H MET A 50 -7.307 3.038 -0.852 1.00 0.00 H new ATOM 0 HA MET A 50 -5.306 3.706 -2.801 1.00 0.00 H new ATOM 0 HB2 MET A 50 -8.129 2.614 -2.843 1.00 0.00 H new ATOM 0 HB3 MET A 50 -7.337 3.083 -4.334 1.00 0.00 H new ATOM 0 HG2 MET A 50 -5.862 1.255 -2.465 1.00 0.00 H new ATOM 0 HG3 MET A 50 -7.203 0.595 -3.381 1.00 0.00 H new ATOM 0 HE1 MET A 50 -3.941 -0.675 -4.615 1.00 0.00 H new ATOM 0 HE2 MET A 50 -5.546 -0.991 -3.914 1.00 0.00 H new ATOM 0 HE3 MET A 50 -5.328 -1.007 -5.680 1.00 0.00 H new ATOM 696 N ILE A 51 -5.929 5.944 -3.621 1.00 0.00 N ATOM 697 CA ILE A 51 -6.247 7.290 -4.083 1.00 0.00 C ATOM 698 C ILE A 51 -6.589 7.294 -5.569 1.00 0.00 C ATOM 699 O ILE A 51 -5.808 6.825 -6.396 1.00 0.00 O ATOM 700 CB ILE A 51 -5.078 8.261 -3.834 1.00 0.00 C ATOM 701 CG1 ILE A 51 -4.471 8.018 -2.450 1.00 0.00 C ATOM 702 CG2 ILE A 51 -5.549 9.701 -3.966 1.00 0.00 C ATOM 703 CD1 ILE A 51 -5.369 8.449 -1.312 1.00 0.00 C ATOM 0 H ILE A 51 -4.976 5.642 -3.825 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.114 7.624 -3.512 1.00 0.00 H new ATOM 0 HB ILE A 51 -4.308 8.081 -4.585 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.246 6.957 -2.342 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -3.525 8.554 -2.378 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -4.712 10.376 -3.787 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.939 9.865 -4.970 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -6.334 9.896 -3.235 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.875 8.247 -0.362 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.574 9.516 -1.395 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.306 7.895 -1.358 1.00 0.00 H new ATOM 715 N GLN A 52 -7.760 7.829 -5.899 1.00 0.00 N ATOM 716 CA GLN A 52 -8.205 7.896 -7.286 1.00 0.00 C ATOM 717 C GLN A 52 -8.504 9.335 -7.693 1.00 0.00 C ATOM 718 O GLN A 52 -8.274 9.728 -8.837 1.00 0.00 O ATOM 719 CB GLN A 52 -9.448 7.028 -7.487 1.00 0.00 C ATOM 720 CG GLN A 52 -10.533 7.269 -6.450 1.00 0.00 C ATOM 721 CD GLN A 52 -11.777 6.441 -6.704 1.00 0.00 C ATOM 722 OE1 GLN A 52 -12.513 6.683 -7.661 1.00 0.00 O ATOM 723 NE2 GLN A 52 -12.020 5.458 -5.845 1.00 0.00 N ATOM 0 H GLN A 52 -8.417 8.222 -5.225 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.401 7.519 -7.918 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -9.857 7.218 -8.479 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -9.156 5.978 -7.458 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -10.142 7.036 -5.460 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.799 8.326 -6.447 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -11.383 5.293 -5.066 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -12.844 4.868 -5.965 1.00 0.00 H new ATOM 732 N ASP A 53 -9.017 10.117 -6.750 1.00 0.00 N ATOM 733 CA ASP A 53 -9.347 11.514 -7.010 1.00 0.00 C ATOM 734 C ASP A 53 -8.109 12.293 -7.443 1.00 0.00 C ATOM 735 O ASP A 53 -7.044 12.174 -6.837 1.00 0.00 O ATOM 736 CB ASP A 53 -9.958 12.156 -5.764 1.00 0.00 C ATOM 737 CG ASP A 53 -8.907 12.605 -4.769 1.00 0.00 C ATOM 738 OD1 ASP A 53 -8.394 13.735 -4.916 1.00 0.00 O ATOM 739 OD2 ASP A 53 -8.598 11.828 -3.842 1.00 0.00 O ATOM 0 H ASP A 53 -9.214 9.808 -5.798 1.00 0.00 H new ATOM 0 HA ASP A 53 -10.076 11.545 -7.820 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -10.563 13.013 -6.060 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -10.628 11.443 -5.283 1.00 0.00 H new ATOM 744 N GLY A 54 -8.256 13.089 -8.498 1.00 0.00 N ATOM 745 CA GLY A 54 -7.141 13.875 -8.995 1.00 0.00 C ATOM 746 C GLY A 54 -7.316 14.274 -10.447 1.00 0.00 C ATOM 747 O GLY A 54 -8.428 14.308 -10.975 1.00 0.00 O ATOM 0 H GLY A 54 -9.127 13.204 -9.017 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -7.032 14.772 -8.385 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.220 13.302 -8.887 1.00 0.00 H new ATOM 751 N PRO A 55 -6.197 14.586 -11.117 1.00 0.00 N ATOM 752 CA PRO A 55 -6.205 14.992 -12.526 1.00 0.00 C ATOM 753 C PRO A 55 -6.559 13.839 -13.459 1.00 0.00 C ATOM 754 O PRO A 55 -6.906 12.748 -13.008 1.00 0.00 O ATOM 755 CB PRO A 55 -4.767 15.455 -12.770 1.00 0.00 C ATOM 756 CG PRO A 55 -3.955 14.720 -11.760 1.00 0.00 C ATOM 757 CD PRO A 55 -4.837 14.568 -10.552 1.00 0.00 C ATOM 0 HA PRO A 55 -6.954 15.759 -12.725 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -4.443 15.222 -13.784 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -4.672 16.534 -12.645 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.645 13.747 -12.142 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.047 15.270 -11.514 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.635 13.638 -10.021 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.687 15.380 -9.840 1.00 0.00 H new ATOM 765 N GLN A 56 -6.467 14.088 -14.762 1.00 0.00 N ATOM 766 CA GLN A 56 -6.778 13.069 -15.757 1.00 0.00 C ATOM 767 C GLN A 56 -5.528 12.666 -16.532 1.00 0.00 C ATOM 768 O GLN A 56 -5.323 11.490 -16.828 1.00 0.00 O ATOM 769 CB GLN A 56 -7.848 13.581 -16.724 1.00 0.00 C ATOM 770 CG GLN A 56 -9.172 13.905 -16.050 1.00 0.00 C ATOM 771 CD GLN A 56 -9.045 15.004 -15.013 1.00 0.00 C ATOM 772 OE1 GLN A 56 -9.076 14.744 -13.809 1.00 0.00 O ATOM 773 NE2 GLN A 56 -8.900 16.240 -15.474 1.00 0.00 N ATOM 0 H GLN A 56 -6.180 14.986 -15.152 1.00 0.00 H new ATOM 0 HA GLN A 56 -7.159 12.191 -15.235 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -7.476 14.475 -17.224 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -8.017 12.831 -17.496 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -9.896 14.206 -16.807 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -9.563 13.005 -15.575 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -8.880 16.410 -16.479 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -8.809 17.020 -14.823 1.00 0.00 H new ATOM 782 N ASN A 57 -4.696 13.650 -16.857 1.00 0.00 N ATOM 783 CA ASN A 57 -3.466 13.397 -17.599 1.00 0.00 C ATOM 784 C ASN A 57 -2.855 12.057 -17.198 1.00 0.00 C ATOM 785 O ASN A 57 -2.532 11.229 -18.051 1.00 0.00 O ATOM 786 CB ASN A 57 -2.459 14.523 -17.356 1.00 0.00 C ATOM 787 CG ASN A 57 -3.115 15.889 -17.328 1.00 0.00 C ATOM 788 OD1 ASN A 57 -4.193 16.085 -17.890 1.00 0.00 O ATOM 789 ND2 ASN A 57 -2.465 16.844 -16.672 1.00 0.00 N ATOM 0 H ASN A 57 -4.851 14.630 -16.618 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.712 13.361 -18.660 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.946 14.350 -16.410 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -1.700 14.503 -18.138 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.857 17.784 -16.620 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.574 16.637 -16.221 1.00 0.00 H new ATOM 796 N THR A 58 -2.699 11.850 -15.894 1.00 0.00 N ATOM 797 CA THR A 58 -2.127 10.612 -15.380 1.00 0.00 C ATOM 798 C THR A 58 -2.584 9.413 -16.202 1.00 0.00 C ATOM 799 O THR A 58 -3.755 9.304 -16.562 1.00 0.00 O ATOM 800 CB THR A 58 -2.511 10.386 -13.905 1.00 0.00 C ATOM 801 OG1 THR A 58 -1.857 9.216 -13.403 1.00 0.00 O ATOM 802 CG2 THR A 58 -4.017 10.235 -13.755 1.00 0.00 C ATOM 0 H THR A 58 -2.961 12.524 -15.175 1.00 0.00 H new ATOM 0 HA THR A 58 -1.044 10.709 -15.455 1.00 0.00 H new ATOM 0 HB THR A 58 -2.190 11.256 -13.331 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.105 9.080 -12.465 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.264 10.076 -12.705 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.511 11.139 -14.111 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.357 9.381 -14.341 1.00 0.00 H new ATOM 810 N GLY A 59 -1.650 8.512 -16.495 1.00 0.00 N ATOM 811 CA GLY A 59 -1.977 7.331 -17.273 1.00 0.00 C ATOM 812 C GLY A 59 -3.049 6.484 -16.617 1.00 0.00 C ATOM 813 O GLY A 59 -3.729 6.935 -15.696 1.00 0.00 O ATOM 0 H GLY A 59 -0.674 8.579 -16.208 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.314 7.634 -18.264 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.078 6.731 -17.412 1.00 0.00 H new ATOM 817 N ALA A 60 -3.202 5.253 -17.093 1.00 0.00 N ATOM 818 CA ALA A 60 -4.199 4.340 -16.547 1.00 0.00 C ATOM 819 C ALA A 60 -3.672 3.633 -15.303 1.00 0.00 C ATOM 820 O ALA A 60 -3.149 2.521 -15.384 1.00 0.00 O ATOM 821 CB ALA A 60 -4.616 3.323 -17.599 1.00 0.00 C ATOM 0 H ALA A 60 -2.648 4.865 -17.856 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.072 4.925 -16.258 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.361 2.648 -17.177 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.042 3.842 -18.458 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.745 2.750 -17.916 1.00 0.00 H new ATOM 827 N ASP A 61 -3.814 4.283 -14.153 1.00 0.00 N ATOM 828 CA ASP A 61 -3.352 3.716 -12.892 1.00 0.00 C ATOM 829 C ASP A 61 -3.962 4.458 -11.707 1.00 0.00 C ATOM 830 O ASP A 61 -4.532 5.538 -11.863 1.00 0.00 O ATOM 831 CB ASP A 61 -1.826 3.769 -12.812 1.00 0.00 C ATOM 832 CG ASP A 61 -1.306 5.176 -12.599 1.00 0.00 C ATOM 833 OD1 ASP A 61 -1.947 6.128 -13.093 1.00 0.00 O ATOM 834 OD2 ASP A 61 -0.258 5.327 -11.936 1.00 0.00 O ATOM 0 H ASP A 61 -4.246 5.203 -14.068 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.674 2.675 -12.851 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.486 3.132 -11.996 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.403 3.364 -13.731 1.00 0.00 H new ATOM 839 N LYS A 62 -3.839 3.872 -10.521 1.00 0.00 N ATOM 840 CA LYS A 62 -4.377 4.476 -9.308 1.00 0.00 C ATOM 841 C LYS A 62 -3.322 4.520 -8.208 1.00 0.00 C ATOM 842 O LYS A 62 -2.825 3.491 -7.749 1.00 0.00 O ATOM 843 CB LYS A 62 -5.602 3.696 -8.825 1.00 0.00 C ATOM 844 CG LYS A 62 -6.654 3.489 -9.900 1.00 0.00 C ATOM 845 CD LYS A 62 -7.644 4.642 -9.940 1.00 0.00 C ATOM 846 CE LYS A 62 -9.014 4.183 -10.416 1.00 0.00 C ATOM 847 NZ LYS A 62 -9.756 3.455 -9.350 1.00 0.00 N ATOM 0 H LYS A 62 -3.371 2.978 -10.374 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.674 5.498 -9.542 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.279 2.724 -8.452 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.052 4.226 -7.985 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -6.169 3.391 -10.871 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.187 2.557 -9.714 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -7.731 5.083 -8.947 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -7.270 5.422 -10.603 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.595 5.047 -10.738 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -8.898 3.535 -11.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -10.413 2.776 -9.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -9.082 2.944 -8.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -10.292 4.135 -8.774 1.00 0.00 H new ATOM 861 N PRO A 63 -2.971 5.739 -7.771 1.00 0.00 N ATOM 862 CA PRO A 63 -1.973 5.945 -6.718 1.00 0.00 C ATOM 863 C PRO A 63 -2.471 5.492 -5.350 1.00 0.00 C ATOM 864 O PRO A 63 -3.375 6.100 -4.775 1.00 0.00 O ATOM 865 CB PRO A 63 -1.751 7.460 -6.731 1.00 0.00 C ATOM 866 CG PRO A 63 -3.014 8.023 -7.284 1.00 0.00 C ATOM 867 CD PRO A 63 -3.521 7.009 -8.273 1.00 0.00 C ATOM 0 HA PRO A 63 -1.067 5.366 -6.897 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.554 7.840 -5.729 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.894 7.729 -7.348 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.744 8.195 -6.493 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -2.835 8.984 -7.767 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -4.610 6.990 -8.306 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.175 7.225 -9.284 1.00 0.00 H new ATOM 875 N LEU A 64 -1.877 4.422 -4.834 1.00 0.00 N ATOM 876 CA LEU A 64 -2.261 3.887 -3.532 1.00 0.00 C ATOM 877 C LEU A 64 -1.423 4.509 -2.419 1.00 0.00 C ATOM 878 O LEU A 64 -0.194 4.500 -2.476 1.00 0.00 O ATOM 879 CB LEU A 64 -2.101 2.365 -3.517 1.00 0.00 C ATOM 880 CG LEU A 64 -1.845 1.731 -2.149 1.00 0.00 C ATOM 881 CD1 LEU A 64 -3.081 1.840 -1.270 1.00 0.00 C ATOM 882 CD2 LEU A 64 -1.426 0.277 -2.305 1.00 0.00 C ATOM 0 H LEU A 64 -1.128 3.908 -5.297 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.307 4.138 -3.357 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.003 1.921 -3.938 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.276 2.100 -4.178 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.032 2.273 -1.666 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.880 1.383 -0.301 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.337 2.890 -1.130 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.914 1.324 -1.748 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.248 -0.158 -1.321 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.217 -0.278 -2.809 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.512 0.223 -2.896 1.00 0.00 H new ATOM 894 N ARG A 65 -2.098 5.046 -1.408 1.00 0.00 N ATOM 895 CA ARG A 65 -1.416 5.672 -0.282 1.00 0.00 C ATOM 896 C ARG A 65 -1.423 4.753 0.936 1.00 0.00 C ATOM 897 O ARG A 65 -2.481 4.314 1.388 1.00 0.00 O ATOM 898 CB ARG A 65 -2.080 7.005 0.068 1.00 0.00 C ATOM 899 CG ARG A 65 -1.224 7.899 0.949 1.00 0.00 C ATOM 900 CD ARG A 65 -2.045 9.015 1.576 1.00 0.00 C ATOM 901 NE ARG A 65 -1.225 10.175 1.914 1.00 0.00 N ATOM 902 CZ ARG A 65 -1.690 11.242 2.556 1.00 0.00 C ATOM 903 NH1 ARG A 65 -2.962 11.294 2.927 1.00 0.00 N ATOM 904 NH2 ARG A 65 -0.882 12.258 2.827 1.00 0.00 N ATOM 0 H ARG A 65 -3.116 5.060 -1.346 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.382 5.855 -0.573 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -2.316 7.537 -0.854 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.025 6.809 0.574 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.761 7.302 1.734 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -0.416 8.329 0.357 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.833 9.317 0.886 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.535 8.643 2.476 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.242 10.166 1.643 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.586 10.514 2.720 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -3.316 12.114 3.420 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.097 12.221 2.543 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -1.239 13.077 3.320 1.00 0.00 H new ATOM 918 N ILE A 66 -0.237 4.467 1.462 1.00 0.00 N ATOM 919 CA ILE A 66 -0.107 3.601 2.628 1.00 0.00 C ATOM 920 C ILE A 66 0.477 4.361 3.814 1.00 0.00 C ATOM 921 O ILE A 66 1.670 4.668 3.843 1.00 0.00 O ATOM 922 CB ILE A 66 0.781 2.380 2.326 1.00 0.00 C ATOM 923 CG1 ILE A 66 0.187 1.561 1.178 1.00 0.00 C ATOM 924 CG2 ILE A 66 0.940 1.520 3.571 1.00 0.00 C ATOM 925 CD1 ILE A 66 0.889 0.240 0.953 1.00 0.00 C ATOM 0 H ILE A 66 0.648 4.822 1.100 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.110 3.256 2.879 1.00 0.00 H new ATOM 0 HB ILE A 66 1.767 2.732 2.023 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.867 1.373 1.384 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.233 2.149 0.261 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.570 0.661 3.342 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.403 2.109 4.363 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.039 1.174 3.902 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.416 -0.287 0.125 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.937 0.421 0.716 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.821 -0.367 1.856 1.00 0.00 H new ATOM 937 N THR A 67 -0.370 4.659 4.794 1.00 0.00 N ATOM 938 CA THR A 67 0.062 5.381 5.984 1.00 0.00 C ATOM 939 C THR A 67 0.316 4.427 7.145 1.00 0.00 C ATOM 940 O THR A 67 -0.306 3.370 7.240 1.00 0.00 O ATOM 941 CB THR A 67 -0.981 6.429 6.415 1.00 0.00 C ATOM 942 OG1 THR A 67 -2.296 5.987 6.058 1.00 0.00 O ATOM 943 CG2 THR A 67 -0.699 7.774 5.763 1.00 0.00 C ATOM 0 H THR A 67 -1.359 4.411 4.787 1.00 0.00 H new ATOM 0 HA THR A 67 0.991 5.889 5.725 1.00 0.00 H new ATOM 0 HB THR A 67 -0.918 6.547 7.497 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.954 6.658 6.337 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.449 8.498 6.083 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.291 8.122 6.060 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.736 7.668 4.679 1.00 0.00 H new ATOM 951 N GLY A 68 1.236 4.806 8.028 1.00 0.00 N ATOM 952 CA GLY A 68 1.555 3.972 9.171 1.00 0.00 C ATOM 953 C GLY A 68 2.929 4.268 9.739 1.00 0.00 C ATOM 954 O GLY A 68 3.109 5.238 10.475 1.00 0.00 O ATOM 0 H GLY A 68 1.766 5.676 7.971 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.804 4.122 9.947 1.00 0.00 H new ATOM 0 HA3 GLY A 68 1.505 2.924 8.877 1.00 0.00 H new ATOM 958 N ASP A 69 3.901 3.429 9.397 1.00 0.00 N ATOM 959 CA ASP A 69 5.267 3.604 9.877 1.00 0.00 C ATOM 960 C ASP A 69 6.263 3.525 8.725 1.00 0.00 C ATOM 961 O ASP A 69 5.983 2.959 7.668 1.00 0.00 O ATOM 962 CB ASP A 69 5.600 2.545 10.929 1.00 0.00 C ATOM 963 CG ASP A 69 5.284 3.008 12.338 1.00 0.00 C ATOM 964 OD1 ASP A 69 5.984 3.916 12.834 1.00 0.00 O ATOM 965 OD2 ASP A 69 4.339 2.463 12.944 1.00 0.00 O ATOM 0 H ASP A 69 3.768 2.621 8.789 1.00 0.00 H new ATOM 0 HA ASP A 69 5.342 4.592 10.331 1.00 0.00 H new ATOM 0 HB2 ASP A 69 5.039 1.635 10.714 1.00 0.00 H new ATOM 0 HB3 ASP A 69 6.658 2.291 10.862 1.00 0.00 H new ATOM 970 N PRO A 70 7.454 4.107 8.930 1.00 0.00 N ATOM 971 CA PRO A 70 8.515 4.116 7.920 1.00 0.00 C ATOM 972 C PRO A 70 9.119 2.734 7.700 1.00 0.00 C ATOM 973 O PRO A 70 9.603 2.423 6.611 1.00 0.00 O ATOM 974 CB PRO A 70 9.559 5.068 8.510 1.00 0.00 C ATOM 975 CG PRO A 70 9.333 5.011 9.982 1.00 0.00 C ATOM 976 CD PRO A 70 7.856 4.800 10.166 1.00 0.00 C ATOM 0 HA PRO A 70 8.143 4.422 6.942 1.00 0.00 H new ATOM 0 HB2 PRO A 70 10.571 4.755 8.252 1.00 0.00 H new ATOM 0 HB3 PRO A 70 9.432 6.081 8.129 1.00 0.00 H new ATOM 0 HG2 PRO A 70 9.902 4.198 10.433 1.00 0.00 H new ATOM 0 HG3 PRO A 70 9.658 5.934 10.463 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.643 4.200 11.051 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.327 5.745 10.287 1.00 0.00 H new ATOM 984 N TYR A 71 9.086 1.907 8.739 1.00 0.00 N ATOM 985 CA TYR A 71 9.632 0.557 8.660 1.00 0.00 C ATOM 986 C TYR A 71 8.559 -0.440 8.234 1.00 0.00 C ATOM 987 O TYR A 71 8.863 -1.522 7.731 1.00 0.00 O ATOM 988 CB TYR A 71 10.222 0.143 10.008 1.00 0.00 C ATOM 989 CG TYR A 71 10.810 -1.250 10.010 1.00 0.00 C ATOM 990 CD1 TYR A 71 9.991 -2.371 9.950 1.00 0.00 C ATOM 991 CD2 TYR A 71 12.184 -1.445 10.070 1.00 0.00 C ATOM 992 CE1 TYR A 71 10.524 -3.646 9.953 1.00 0.00 C ATOM 993 CE2 TYR A 71 12.726 -2.716 10.072 1.00 0.00 C ATOM 994 CZ TYR A 71 11.892 -3.813 10.013 1.00 0.00 C ATOM 995 OH TYR A 71 12.426 -5.081 10.014 1.00 0.00 O ATOM 0 H TYR A 71 8.687 2.148 9.646 1.00 0.00 H new ATOM 0 HA TYR A 71 10.423 0.556 7.910 1.00 0.00 H new ATOM 0 HB2 TYR A 71 10.997 0.856 10.290 1.00 0.00 H new ATOM 0 HB3 TYR A 71 9.444 0.201 10.769 1.00 0.00 H new ATOM 0 HD1 TYR A 71 8.920 -2.244 9.900 1.00 0.00 H new ATOM 0 HD2 TYR A 71 12.840 -0.588 10.116 1.00 0.00 H new ATOM 0 HE1 TYR A 71 9.873 -4.507 9.909 1.00 0.00 H new ATOM 0 HE2 TYR A 71 13.797 -2.850 10.119 1.00 0.00 H new ATOM 0 HH TYR A 71 13.403 -5.024 10.059 1.00 0.00 H new ATOM 1005 N LYS A 72 7.300 -0.068 8.438 1.00 0.00 N ATOM 1006 CA LYS A 72 6.179 -0.926 8.074 1.00 0.00 C ATOM 1007 C LYS A 72 5.655 -0.579 6.684 1.00 0.00 C ATOM 1008 O LYS A 72 5.605 -1.432 5.798 1.00 0.00 O ATOM 1009 CB LYS A 72 5.053 -0.793 9.103 1.00 0.00 C ATOM 1010 CG LYS A 72 5.516 -0.974 10.538 1.00 0.00 C ATOM 1011 CD LYS A 72 4.347 -1.238 11.472 1.00 0.00 C ATOM 1012 CE LYS A 72 4.058 -2.727 11.595 1.00 0.00 C ATOM 1013 NZ LYS A 72 4.826 -3.351 12.708 1.00 0.00 N ATOM 0 H LYS A 72 7.030 0.823 8.854 1.00 0.00 H new ATOM 0 HA LYS A 72 6.533 -1.957 8.062 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.592 0.189 9.000 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.282 -1.531 8.883 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.221 -1.804 10.592 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.049 -0.081 10.865 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.567 -0.826 12.457 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.460 -0.723 11.102 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.991 -2.877 11.761 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.308 -3.224 10.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.602 -4.365 12.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.845 -3.230 12.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.569 -2.894 13.606 1.00 0.00 H new ATOM 1027 N VAL A 73 5.268 0.680 6.500 1.00 0.00 N ATOM 1028 CA VAL A 73 4.751 1.140 5.217 1.00 0.00 C ATOM 1029 C VAL A 73 5.604 0.624 4.064 1.00 0.00 C ATOM 1030 O VAL A 73 5.108 0.419 2.956 1.00 0.00 O ATOM 1031 CB VAL A 73 4.698 2.678 5.153 1.00 0.00 C ATOM 1032 CG1 VAL A 73 4.488 3.147 3.721 1.00 0.00 C ATOM 1033 CG2 VAL A 73 3.601 3.211 6.063 1.00 0.00 C ATOM 0 H VAL A 73 5.303 1.399 7.223 1.00 0.00 H new ATOM 0 HA VAL A 73 3.740 0.744 5.123 1.00 0.00 H new ATOM 0 HB VAL A 73 5.653 3.072 5.502 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.453 4.236 3.696 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.311 2.796 3.099 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.549 2.745 3.341 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.577 4.299 6.006 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.638 2.810 5.746 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.800 2.906 7.090 1.00 0.00 H new ATOM 1043 N GLN A 74 6.889 0.416 4.332 1.00 0.00 N ATOM 1044 CA GLN A 74 7.811 -0.076 3.316 1.00 0.00 C ATOM 1045 C GLN A 74 7.560 -1.551 3.021 1.00 0.00 C ATOM 1046 O GLN A 74 7.686 -1.996 1.881 1.00 0.00 O ATOM 1047 CB GLN A 74 9.258 0.126 3.769 1.00 0.00 C ATOM 1048 CG GLN A 74 9.702 1.580 3.758 1.00 0.00 C ATOM 1049 CD GLN A 74 10.098 2.059 2.375 1.00 0.00 C ATOM 1050 OE1 GLN A 74 11.113 1.632 1.825 1.00 0.00 O ATOM 1051 NE2 GLN A 74 9.296 2.951 1.805 1.00 0.00 N ATOM 0 H GLN A 74 7.315 0.581 5.244 1.00 0.00 H new ATOM 0 HA GLN A 74 7.641 0.493 2.402 1.00 0.00 H new ATOM 0 HB2 GLN A 74 9.373 -0.273 4.777 1.00 0.00 H new ATOM 0 HB3 GLN A 74 9.917 -0.451 3.120 1.00 0.00 H new ATOM 0 HG2 GLN A 74 8.894 2.206 4.137 1.00 0.00 H new ATOM 0 HG3 GLN A 74 10.546 1.703 4.437 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.465 3.278 2.298 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.511 3.310 0.875 1.00 0.00 H new ATOM 1060 N GLN A 75 7.204 -2.304 4.057 1.00 0.00 N ATOM 1061 CA GLN A 75 6.935 -3.730 3.908 1.00 0.00 C ATOM 1062 C GLN A 75 5.642 -3.963 3.135 1.00 0.00 C ATOM 1063 O GLN A 75 5.650 -4.562 2.060 1.00 0.00 O ATOM 1064 CB GLN A 75 6.850 -4.400 5.281 1.00 0.00 C ATOM 1065 CG GLN A 75 7.951 -3.969 6.237 1.00 0.00 C ATOM 1066 CD GLN A 75 8.245 -5.013 7.297 1.00 0.00 C ATOM 1067 OE1 GLN A 75 9.090 -5.889 7.105 1.00 0.00 O ATOM 1068 NE2 GLN A 75 7.548 -4.926 8.423 1.00 0.00 N ATOM 0 H GLN A 75 7.095 -1.951 5.008 1.00 0.00 H new ATOM 0 HA GLN A 75 7.757 -4.172 3.345 1.00 0.00 H new ATOM 0 HB2 GLN A 75 5.882 -4.172 5.728 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.895 -5.481 5.152 1.00 0.00 H new ATOM 0 HG2 GLN A 75 8.860 -3.766 5.671 1.00 0.00 H new ATOM 0 HG3 GLN A 75 7.662 -3.036 6.721 1.00 0.00 H new ATOM 0 HE21 GLN A 75 6.858 -4.184 8.540 1.00 0.00 H new ATOM 0 HE22 GLN A 75 7.702 -5.601 9.172 1.00 0.00 H new ATOM 1077 N ALA A 76 4.532 -3.485 3.689 1.00 0.00 N ATOM 1078 CA ALA A 76 3.231 -3.640 3.050 1.00 0.00 C ATOM 1079 C ALA A 76 3.299 -3.273 1.572 1.00 0.00 C ATOM 1080 O ALA A 76 2.817 -4.014 0.715 1.00 0.00 O ATOM 1081 CB ALA A 76 2.190 -2.789 3.761 1.00 0.00 C ATOM 0 H ALA A 76 4.508 -2.987 4.579 1.00 0.00 H new ATOM 0 HA ALA A 76 2.939 -4.688 3.124 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.223 -2.914 3.274 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.114 -3.101 4.803 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.485 -1.741 3.717 1.00 0.00 H new ATOM 1087 N LYS A 77 3.899 -2.124 1.279 1.00 0.00 N ATOM 1088 CA LYS A 77 4.030 -1.658 -0.096 1.00 0.00 C ATOM 1089 C LYS A 77 4.509 -2.782 -1.008 1.00 0.00 C ATOM 1090 O LYS A 77 4.020 -2.936 -2.127 1.00 0.00 O ATOM 1091 CB LYS A 77 5.004 -0.479 -0.166 1.00 0.00 C ATOM 1092 CG LYS A 77 5.752 -0.385 -1.485 1.00 0.00 C ATOM 1093 CD LYS A 77 6.814 0.700 -1.447 1.00 0.00 C ATOM 1094 CE LYS A 77 8.000 0.350 -2.333 1.00 0.00 C ATOM 1095 NZ LYS A 77 8.918 -0.619 -1.674 1.00 0.00 N ATOM 0 H LYS A 77 4.302 -1.498 1.976 1.00 0.00 H new ATOM 0 HA LYS A 77 3.048 -1.331 -0.438 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.452 0.447 -0.004 1.00 0.00 H new ATOM 0 HB3 LYS A 77 5.726 -0.566 0.646 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.218 -1.344 -1.709 1.00 0.00 H new ATOM 0 HG3 LYS A 77 5.047 -0.178 -2.290 1.00 0.00 H new ATOM 0 HD2 LYS A 77 6.381 1.646 -1.773 1.00 0.00 H new ATOM 0 HD3 LYS A 77 7.154 0.842 -0.421 1.00 0.00 H new ATOM 0 HE2 LYS A 77 7.640 -0.071 -3.272 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.548 1.259 -2.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 9.695 -0.858 -2.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 9.308 -0.194 -0.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 8.393 -1.483 -1.429 1.00 0.00 H new ATOM 1109 N GLU A 78 5.468 -3.564 -0.522 1.00 0.00 N ATOM 1110 CA GLU A 78 6.012 -4.675 -1.296 1.00 0.00 C ATOM 1111 C GLU A 78 4.982 -5.791 -1.443 1.00 0.00 C ATOM 1112 O GLU A 78 4.735 -6.280 -2.545 1.00 0.00 O ATOM 1113 CB GLU A 78 7.277 -5.218 -0.629 1.00 0.00 C ATOM 1114 CG GLU A 78 8.429 -4.227 -0.610 1.00 0.00 C ATOM 1115 CD GLU A 78 9.777 -4.902 -0.450 1.00 0.00 C ATOM 1116 OE1 GLU A 78 10.077 -5.824 -1.237 1.00 0.00 O ATOM 1117 OE2 GLU A 78 10.532 -4.508 0.464 1.00 0.00 O ATOM 0 H GLU A 78 5.884 -3.449 0.402 1.00 0.00 H new ATOM 0 HA GLU A 78 6.264 -4.304 -2.289 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.042 -5.508 0.395 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.594 -6.121 -1.151 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.423 -3.651 -1.535 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.282 -3.520 0.207 1.00 0.00 H new ATOM 1124 N MET A 79 4.385 -6.189 -0.324 1.00 0.00 N ATOM 1125 CA MET A 79 3.382 -7.247 -0.328 1.00 0.00 C ATOM 1126 C MET A 79 2.305 -6.971 -1.373 1.00 0.00 C ATOM 1127 O MET A 79 1.906 -7.866 -2.119 1.00 0.00 O ATOM 1128 CB MET A 79 2.743 -7.380 1.056 1.00 0.00 C ATOM 1129 CG MET A 79 3.575 -8.194 2.033 1.00 0.00 C ATOM 1130 SD MET A 79 2.575 -8.976 3.313 1.00 0.00 S ATOM 1131 CE MET A 79 1.581 -7.590 3.861 1.00 0.00 C ATOM 0 H MET A 79 4.579 -5.795 0.597 1.00 0.00 H new ATOM 0 HA MET A 79 3.879 -8.183 -0.582 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.582 -6.385 1.470 1.00 0.00 H new ATOM 0 HB3 MET A 79 1.762 -7.844 0.951 1.00 0.00 H new ATOM 0 HG2 MET A 79 4.123 -8.961 1.486 1.00 0.00 H new ATOM 0 HG3 MET A 79 4.316 -7.546 2.501 1.00 0.00 H new ATOM 0 HE1 MET A 79 1.522 -7.592 4.949 1.00 0.00 H new ATOM 0 HE2 MET A 79 2.038 -6.659 3.525 1.00 0.00 H new ATOM 0 HE3 MET A 79 0.578 -7.674 3.443 1.00 0.00 H new ATOM 1141 N VAL A 80 1.838 -5.728 -1.421 1.00 0.00 N ATOM 1142 CA VAL A 80 0.808 -5.334 -2.376 1.00 0.00 C ATOM 1143 C VAL A 80 1.341 -5.368 -3.804 1.00 0.00 C ATOM 1144 O VAL A 80 0.720 -5.948 -4.696 1.00 0.00 O ATOM 1145 CB VAL A 80 0.273 -3.922 -2.073 1.00 0.00 C ATOM 1146 CG1 VAL A 80 -0.901 -3.590 -2.981 1.00 0.00 C ATOM 1147 CG2 VAL A 80 -0.126 -3.807 -0.609 1.00 0.00 C ATOM 0 H VAL A 80 2.156 -4.976 -0.810 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.006 -6.052 -2.278 1.00 0.00 H new ATOM 0 HB VAL A 80 1.067 -3.201 -2.268 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.266 -2.589 -2.752 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.579 -3.630 -4.022 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.701 -4.313 -2.821 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.502 -2.803 -0.412 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.905 -4.536 -0.386 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.742 -3.999 0.021 1.00 0.00 H new ATOM 1157 N LEU A 81 2.494 -4.744 -4.014 1.00 0.00 N ATOM 1158 CA LEU A 81 3.112 -4.703 -5.335 1.00 0.00 C ATOM 1159 C LEU A 81 3.141 -6.091 -5.966 1.00 0.00 C ATOM 1160 O LEU A 81 2.953 -6.238 -7.174 1.00 0.00 O ATOM 1161 CB LEU A 81 4.533 -4.144 -5.238 1.00 0.00 C ATOM 1162 CG LEU A 81 4.649 -2.627 -5.091 1.00 0.00 C ATOM 1163 CD1 LEU A 81 6.025 -2.245 -4.567 1.00 0.00 C ATOM 1164 CD2 LEU A 81 4.373 -1.939 -6.420 1.00 0.00 C ATOM 0 H LEU A 81 3.020 -4.259 -3.287 1.00 0.00 H new ATOM 0 HA LEU A 81 2.513 -4.049 -5.969 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.028 -4.610 -4.386 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.082 -4.445 -6.130 1.00 0.00 H new ATOM 0 HG LEU A 81 3.902 -2.293 -4.370 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.089 -1.161 -4.469 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.185 -2.708 -3.593 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.789 -2.592 -5.263 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.460 -0.860 -6.296 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.095 -2.278 -7.162 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.365 -2.186 -6.755 1.00 0.00 H new ATOM 1176 N GLU A 82 3.376 -7.106 -5.141 1.00 0.00 N ATOM 1177 CA GLU A 82 3.427 -8.483 -5.619 1.00 0.00 C ATOM 1178 C GLU A 82 2.028 -9.003 -5.933 1.00 0.00 C ATOM 1179 O GLU A 82 1.856 -9.890 -6.769 1.00 0.00 O ATOM 1180 CB GLU A 82 4.096 -9.383 -4.578 1.00 0.00 C ATOM 1181 CG GLU A 82 4.385 -10.787 -5.083 1.00 0.00 C ATOM 1182 CD GLU A 82 5.731 -10.894 -5.772 1.00 0.00 C ATOM 1183 OE1 GLU A 82 6.168 -9.895 -6.381 1.00 0.00 O ATOM 1184 OE2 GLU A 82 6.349 -11.977 -5.701 1.00 0.00 O ATOM 0 H GLU A 82 3.534 -7.001 -4.139 1.00 0.00 H new ATOM 0 HA GLU A 82 4.016 -8.500 -6.536 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.030 -8.922 -4.258 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.454 -9.447 -3.699 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.353 -11.484 -4.245 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.601 -11.088 -5.778 1.00 0.00 H new ATOM 1191 N LEU A 83 1.030 -8.444 -5.256 1.00 0.00 N ATOM 1192 CA LEU A 83 -0.356 -8.851 -5.461 1.00 0.00 C ATOM 1193 C LEU A 83 -0.847 -8.433 -6.842 1.00 0.00 C ATOM 1194 O LEU A 83 -1.699 -9.095 -7.436 1.00 0.00 O ATOM 1195 CB LEU A 83 -1.252 -8.241 -4.381 1.00 0.00 C ATOM 1196 CG LEU A 83 -2.613 -8.909 -4.182 1.00 0.00 C ATOM 1197 CD1 LEU A 83 -3.462 -8.775 -5.437 1.00 0.00 C ATOM 1198 CD2 LEU A 83 -2.438 -10.374 -3.808 1.00 0.00 C ATOM 0 H LEU A 83 1.155 -7.708 -4.561 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.404 -9.938 -5.393 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.714 -8.268 -3.433 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.417 -7.191 -4.624 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.128 -8.405 -3.364 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.427 -9.256 -5.277 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -3.616 -7.719 -5.661 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -2.953 -9.253 -6.274 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.417 -10.834 -3.670 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.903 -10.891 -4.604 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.869 -10.447 -2.881 1.00 0.00 H new ATOM 1210 N ILE A 84 -0.304 -7.331 -7.349 1.00 0.00 N ATOM 1211 CA ILE A 84 -0.685 -6.827 -8.663 1.00 0.00 C ATOM 1212 C ILE A 84 0.175 -7.445 -9.760 1.00 0.00 C ATOM 1213 O ILE A 84 -0.231 -7.506 -10.920 1.00 0.00 O ATOM 1214 CB ILE A 84 -0.564 -5.293 -8.734 1.00 0.00 C ATOM 1215 CG1 ILE A 84 0.895 -4.866 -8.564 1.00 0.00 C ATOM 1216 CG2 ILE A 84 -1.439 -4.643 -7.672 1.00 0.00 C ATOM 1217 CD1 ILE A 84 1.228 -3.564 -9.257 1.00 0.00 C ATOM 0 H ILE A 84 0.401 -6.770 -6.870 1.00 0.00 H new ATOM 0 HA ILE A 84 -1.726 -7.109 -8.819 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.908 -4.961 -9.714 1.00 0.00 H new ATOM 0 HG12 ILE A 84 1.115 -4.769 -7.501 1.00 0.00 H new ATOM 0 HG13 ILE A 84 1.543 -5.651 -8.953 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.343 -3.559 -7.735 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.479 -4.925 -7.835 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.123 -4.979 -6.684 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.279 -3.323 -9.094 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.040 -3.662 -10.326 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.606 -2.766 -8.851 1.00 0.00 H new ATOM 1229 N ARG A 85 1.365 -7.902 -9.384 1.00 0.00 N ATOM 1230 CA ARG A 85 2.283 -8.516 -10.336 1.00 0.00 C ATOM 1231 C ARG A 85 1.768 -9.880 -10.786 1.00 0.00 C ATOM 1232 O ARG A 85 1.046 -10.555 -10.052 1.00 0.00 O ATOM 1233 CB ARG A 85 3.673 -8.664 -9.713 1.00 0.00 C ATOM 1234 CG ARG A 85 4.548 -7.433 -9.879 1.00 0.00 C ATOM 1235 CD ARG A 85 5.973 -7.696 -9.416 1.00 0.00 C ATOM 1236 NE ARG A 85 6.732 -8.469 -10.394 1.00 0.00 N ATOM 1237 CZ ARG A 85 8.057 -8.567 -10.386 1.00 0.00 C ATOM 1238 NH1 ARG A 85 8.765 -7.943 -9.454 1.00 0.00 N ATOM 1239 NH2 ARG A 85 8.676 -9.290 -11.310 1.00 0.00 N ATOM 0 H ARG A 85 1.716 -7.859 -8.427 1.00 0.00 H new ATOM 0 HA ARG A 85 2.350 -7.866 -11.209 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.564 -8.882 -8.651 1.00 0.00 H new ATOM 0 HB3 ARG A 85 4.175 -9.520 -10.164 1.00 0.00 H new ATOM 0 HG2 ARG A 85 4.555 -7.128 -10.926 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.126 -6.606 -9.309 1.00 0.00 H new ATOM 0 HD2 ARG A 85 6.476 -6.746 -9.235 1.00 0.00 H new ATOM 0 HD3 ARG A 85 5.953 -8.232 -8.467 1.00 0.00 H new ATOM 0 HE ARG A 85 6.217 -8.961 -11.124 1.00 0.00 H new ATOM 0 HH11 ARG A 85 8.292 -7.387 -8.742 1.00 0.00 H new ATOM 0 HH12 ARG A 85 9.782 -8.020 -9.450 1.00 0.00 H new ATOM 0 HH21 ARG A 85 8.135 -9.772 -12.028 1.00 0.00 H new ATOM 0 HH22 ARG A 85 9.693 -9.364 -11.303 1.00 0.00 H new ATOM 1253 N ASP A 86 2.143 -10.279 -11.996 1.00 0.00 N ATOM 1254 CA ASP A 86 1.720 -11.562 -12.544 1.00 0.00 C ATOM 1255 C ASP A 86 1.848 -12.668 -11.500 1.00 0.00 C ATOM 1256 O ASP A 86 2.865 -12.771 -10.814 1.00 0.00 O ATOM 1257 CB ASP A 86 2.550 -11.912 -13.780 1.00 0.00 C ATOM 1258 CG ASP A 86 2.019 -13.132 -14.507 1.00 0.00 C ATOM 1259 OD1 ASP A 86 2.342 -14.262 -14.084 1.00 0.00 O ATOM 1260 OD2 ASP A 86 1.281 -12.956 -15.499 1.00 0.00 O ATOM 0 H ASP A 86 2.740 -9.732 -12.617 1.00 0.00 H new ATOM 0 HA ASP A 86 0.672 -11.478 -12.832 1.00 0.00 H new ATOM 0 HB2 ASP A 86 2.558 -11.061 -14.462 1.00 0.00 H new ATOM 0 HB3 ASP A 86 3.583 -12.091 -13.482 1.00 0.00 H new ATOM 1265 N GLN A 87 0.810 -13.490 -11.386 1.00 0.00 N ATOM 1266 CA GLN A 87 0.807 -14.586 -10.425 1.00 0.00 C ATOM 1267 C GLN A 87 1.788 -15.678 -10.841 1.00 0.00 C ATOM 1268 O GLN A 87 2.031 -15.889 -12.028 1.00 0.00 O ATOM 1269 CB GLN A 87 -0.600 -15.172 -10.292 1.00 0.00 C ATOM 1270 CG GLN A 87 -1.567 -14.268 -9.546 1.00 0.00 C ATOM 1271 CD GLN A 87 -1.944 -13.034 -10.342 1.00 0.00 C ATOM 1272 OE1 GLN A 87 -2.301 -13.123 -11.517 1.00 0.00 O ATOM 1273 NE2 GLN A 87 -1.866 -11.872 -9.704 1.00 0.00 N ATOM 0 H GLN A 87 -0.039 -13.418 -11.947 1.00 0.00 H new ATOM 0 HA GLN A 87 1.121 -14.190 -9.459 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -0.997 -15.372 -11.287 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -0.538 -16.130 -9.775 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -2.469 -14.829 -9.304 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -1.118 -13.963 -8.601 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -1.565 -11.844 -8.730 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -2.107 -11.007 -10.188 1.00 0.00 H new ATOM 1282 N GLY A 88 2.350 -16.369 -9.854 1.00 0.00 N ATOM 1283 CA GLY A 88 3.299 -17.430 -10.137 1.00 0.00 C ATOM 1284 C GLY A 88 3.955 -17.972 -8.883 1.00 0.00 C ATOM 1285 O GLY A 88 3.829 -17.388 -7.807 1.00 0.00 O ATOM 0 H GLY A 88 2.165 -16.213 -8.863 1.00 0.00 H new ATOM 0 HA2 GLY A 88 2.788 -18.241 -10.655 1.00 0.00 H new ATOM 0 HA3 GLY A 88 4.068 -17.055 -10.812 1.00 0.00 H new ATOM 1289 N SER A 89 4.655 -19.094 -9.020 1.00 0.00 N ATOM 1290 CA SER A 89 5.328 -19.718 -7.888 1.00 0.00 C ATOM 1291 C SER A 89 6.792 -19.997 -8.213 1.00 0.00 C ATOM 1292 O SER A 89 7.691 -19.607 -7.468 1.00 0.00 O ATOM 1293 CB SER A 89 4.622 -21.020 -7.502 1.00 0.00 C ATOM 1294 OG SER A 89 3.361 -20.760 -6.912 1.00 0.00 O ATOM 0 H SER A 89 4.770 -19.589 -9.904 1.00 0.00 H new ATOM 0 HA SER A 89 5.286 -19.027 -7.046 1.00 0.00 H new ATOM 0 HB2 SER A 89 4.492 -21.643 -8.387 1.00 0.00 H new ATOM 0 HB3 SER A 89 5.244 -21.582 -6.805 1.00 0.00 H new ATOM 0 HG SER A 89 2.929 -21.608 -6.676 1.00 0.00 H new ATOM 1300 N GLY A 90 7.025 -20.677 -9.332 1.00 0.00 N ATOM 1301 CA GLY A 90 8.381 -20.998 -9.737 1.00 0.00 C ATOM 1302 C GLY A 90 9.268 -19.771 -9.817 1.00 0.00 C ATOM 1303 O GLY A 90 8.821 -18.678 -10.164 1.00 0.00 O ATOM 0 H GLY A 90 6.298 -21.011 -9.965 1.00 0.00 H new ATOM 0 HA2 GLY A 90 8.810 -21.707 -9.029 1.00 0.00 H new ATOM 0 HA3 GLY A 90 8.360 -21.491 -10.709 1.00 0.00 H new ATOM 1307 N PRO A 91 10.556 -19.945 -9.488 1.00 0.00 N ATOM 1308 CA PRO A 91 11.535 -18.854 -9.515 1.00 0.00 C ATOM 1309 C PRO A 91 11.857 -18.399 -10.935 1.00 0.00 C ATOM 1310 O PRO A 91 12.739 -18.955 -11.589 1.00 0.00 O ATOM 1311 CB PRO A 91 12.772 -19.470 -8.857 1.00 0.00 C ATOM 1312 CG PRO A 91 12.634 -20.935 -9.089 1.00 0.00 C ATOM 1313 CD PRO A 91 11.158 -21.221 -9.065 1.00 0.00 C ATOM 0 HA PRO A 91 11.166 -17.963 -9.008 1.00 0.00 H new ATOM 0 HB2 PRO A 91 13.690 -19.084 -9.300 1.00 0.00 H new ATOM 0 HB3 PRO A 91 12.810 -19.240 -7.792 1.00 0.00 H new ATOM 0 HG2 PRO A 91 13.071 -21.222 -10.045 1.00 0.00 H new ATOM 0 HG3 PRO A 91 13.154 -21.503 -8.318 1.00 0.00 H new ATOM 0 HD2 PRO A 91 10.895 -22.033 -9.742 1.00 0.00 H new ATOM 0 HD3 PRO A 91 10.822 -21.514 -8.070 1.00 0.00 H new ATOM 1321 N SER A 92 11.137 -17.386 -11.404 1.00 0.00 N ATOM 1322 CA SER A 92 11.344 -16.859 -12.748 1.00 0.00 C ATOM 1323 C SER A 92 12.824 -16.591 -13.005 1.00 0.00 C ATOM 1324 O SER A 92 13.463 -15.829 -12.280 1.00 0.00 O ATOM 1325 CB SER A 92 10.540 -15.572 -12.944 1.00 0.00 C ATOM 1326 OG SER A 92 9.149 -15.817 -12.827 1.00 0.00 O ATOM 0 H SER A 92 10.405 -16.913 -10.874 1.00 0.00 H new ATOM 0 HA SER A 92 10.999 -17.607 -13.461 1.00 0.00 H new ATOM 0 HB2 SER A 92 10.846 -14.832 -12.204 1.00 0.00 H new ATOM 0 HB3 SER A 92 10.757 -15.150 -13.925 1.00 0.00 H new ATOM 0 HG SER A 92 8.657 -14.979 -12.955 1.00 0.00 H new ATOM 1332 N SER A 93 13.362 -17.225 -14.041 1.00 0.00 N ATOM 1333 CA SER A 93 14.768 -17.060 -14.393 1.00 0.00 C ATOM 1334 C SER A 93 15.015 -17.457 -15.845 1.00 0.00 C ATOM 1335 O SER A 93 14.378 -18.370 -16.368 1.00 0.00 O ATOM 1336 CB SER A 93 15.649 -17.899 -13.465 1.00 0.00 C ATOM 1337 OG SER A 93 16.995 -17.456 -13.502 1.00 0.00 O ATOM 0 H SER A 93 12.846 -17.858 -14.652 1.00 0.00 H new ATOM 0 HA SER A 93 15.026 -16.008 -14.274 1.00 0.00 H new ATOM 0 HB2 SER A 93 15.270 -17.837 -12.445 1.00 0.00 H new ATOM 0 HB3 SER A 93 15.599 -18.947 -13.760 1.00 0.00 H new ATOM 0 HG SER A 93 17.537 -18.007 -12.900 1.00 0.00 H new ATOM 1343 N GLY A 94 15.947 -16.763 -16.491 1.00 0.00 N ATOM 1344 CA GLY A 94 16.263 -17.056 -17.877 1.00 0.00 C ATOM 1345 C GLY A 94 17.598 -17.757 -18.031 1.00 0.00 C ATOM 1346 O GLY A 94 17.712 -18.735 -18.770 1.00 0.00 O ATOM 0 H GLY A 94 16.489 -16.003 -16.079 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.477 -17.681 -18.302 1.00 0.00 H new ATOM 0 HA3 GLY A 94 16.276 -16.127 -18.448 1.00 0.00 H new TER 1350 GLY A 94