USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 942 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 23 GLN : amide:sc= 0 X(o=-0.0065,f=-0.0065) USER MOD Set 1.2: A 28 LYS NZ :NH3+ 163:sc=-0.00647 (180deg=-0.166) USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.0233 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 167:sc= -1.73 (180deg=-1.93) USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0.854 K(o=0.85,f=-0.12) USER MOD Single : A 22 GLN : amide:sc= -0.0409 K(o=-0.041,f=-2.3!) USER MOD Single : A 24 GLN :FLIP amide:sc= -0.657 F(o=-1.2,f=-0.66) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 135:sc= 0.0324 USER MOD Single : A 38 TYR OH : rot 144:sc= 0.0305 USER MOD Single : A 41 SER OG : rot 180:sc= -0.0212 USER MOD Single : A 43 CYS SG : rot -10:sc= 0.461 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0965) USER MOD Single : A 60 CYS SG : rot 23:sc= 0.437 USER MOD Single : A 65 LYS NZ :NH3+ 165:sc= -0.0117 (180deg=-0.174) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 CYS SG : rot 180:sc= -2.9! USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 150:sc= -0.0623 USER MOD Single : A 89 SER OG : rot 180:sc= -1.05 USER MOD Single : A 95 THR OG1 : rot -9:sc= 0.267 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= -0.141 K(o=-0.14,f=-1.7!) USER MOD Single : A 117 CYS SG : rot -32:sc= 0.0271 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.888 8.442 2.052 1.00 0.00 N ATOM 2 CA GLY A 1 -20.396 8.675 3.391 1.00 0.00 C ATOM 3 C GLY A 1 -21.617 9.573 3.399 1.00 0.00 C ATOM 4 O GLY A 1 -22.418 9.551 2.465 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.720 7.425 1.917 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.584 8.774 1.354 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.995 8.960 1.924 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.648 7.720 3.852 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.613 9.126 4.000 1.00 0.00 H new ATOM 8 N SER A 2 -21.762 10.363 4.458 1.00 0.00 N ATOM 9 CA SER A 2 -22.898 11.269 4.587 1.00 0.00 C ATOM 10 C SER A 2 -22.606 12.365 5.607 1.00 0.00 C ATOM 11 O SER A 2 -21.836 12.165 6.547 1.00 0.00 O ATOM 12 CB SER A 2 -24.151 10.494 4.999 1.00 0.00 C ATOM 13 OG SER A 2 -23.947 9.807 6.221 1.00 0.00 O ATOM 0 H SER A 2 -21.107 10.394 5.239 1.00 0.00 H new ATOM 0 HA SER A 2 -23.070 11.736 3.617 1.00 0.00 H new ATOM 0 HB2 SER A 2 -24.991 11.182 5.101 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.415 9.782 4.217 1.00 0.00 H new ATOM 0 HG SER A 2 -24.763 9.321 6.463 1.00 0.00 H new ATOM 19 N SER A 3 -23.226 13.524 5.414 1.00 0.00 N ATOM 20 CA SER A 3 -23.031 14.655 6.315 1.00 0.00 C ATOM 21 C SER A 3 -23.392 14.276 7.748 1.00 0.00 C ATOM 22 O SER A 3 -24.262 13.438 7.980 1.00 0.00 O ATOM 23 CB SER A 3 -23.877 15.847 5.862 1.00 0.00 C ATOM 24 OG SER A 3 -25.248 15.637 6.149 1.00 0.00 O ATOM 0 H SER A 3 -23.868 13.705 4.642 1.00 0.00 H new ATOM 0 HA SER A 3 -21.978 14.934 6.286 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.532 16.752 6.361 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.746 16.004 4.791 1.00 0.00 H new ATOM 0 HG SER A 3 -25.767 16.413 5.852 1.00 0.00 H new ATOM 30 N GLY A 4 -22.715 14.902 8.707 1.00 0.00 N ATOM 31 CA GLY A 4 -22.978 14.618 10.105 1.00 0.00 C ATOM 32 C GLY A 4 -22.537 13.225 10.507 1.00 0.00 C ATOM 33 O GLY A 4 -23.359 12.317 10.630 1.00 0.00 O ATOM 0 H GLY A 4 -21.990 15.600 8.540 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.463 15.352 10.725 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -24.045 14.729 10.301 1.00 0.00 H new ATOM 37 N SER A 5 -21.234 13.053 10.710 1.00 0.00 N ATOM 38 CA SER A 5 -20.685 11.758 11.095 1.00 0.00 C ATOM 39 C SER A 5 -19.798 11.889 12.329 1.00 0.00 C ATOM 40 O SER A 5 -18.625 12.248 12.230 1.00 0.00 O ATOM 41 CB SER A 5 -19.883 11.157 9.939 1.00 0.00 C ATOM 42 OG SER A 5 -19.629 9.780 10.156 1.00 0.00 O ATOM 0 H SER A 5 -20.540 13.794 10.614 1.00 0.00 H new ATOM 0 HA SER A 5 -21.517 11.095 11.335 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.431 11.286 9.006 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.939 11.691 9.831 1.00 0.00 H new ATOM 0 HG SER A 5 -19.117 9.419 9.403 1.00 0.00 H new ATOM 48 N SER A 6 -20.369 11.596 13.494 1.00 0.00 N ATOM 49 CA SER A 6 -19.633 11.684 14.749 1.00 0.00 C ATOM 50 C SER A 6 -19.038 10.331 15.127 1.00 0.00 C ATOM 51 O SER A 6 -19.763 9.361 15.345 1.00 0.00 O ATOM 52 CB SER A 6 -20.549 12.182 15.868 1.00 0.00 C ATOM 53 OG SER A 6 -20.620 13.597 15.879 1.00 0.00 O ATOM 0 H SER A 6 -21.339 11.296 13.594 1.00 0.00 H new ATOM 0 HA SER A 6 -18.817 12.394 14.614 1.00 0.00 H new ATOM 0 HB2 SER A 6 -21.548 11.766 15.736 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.180 11.826 16.830 1.00 0.00 H new ATOM 0 HG SER A 6 -21.213 13.889 16.602 1.00 0.00 H new ATOM 59 N GLY A 7 -17.712 10.274 15.202 1.00 0.00 N ATOM 60 CA GLY A 7 -17.041 9.036 15.553 1.00 0.00 C ATOM 61 C GLY A 7 -15.741 9.271 16.296 1.00 0.00 C ATOM 62 O GLY A 7 -15.420 10.403 16.655 1.00 0.00 O ATOM 0 H GLY A 7 -17.090 11.063 15.026 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.704 8.430 16.170 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -16.840 8.466 14.646 1.00 0.00 H new ATOM 66 N MET A 8 -14.991 8.198 16.527 1.00 0.00 N ATOM 67 CA MET A 8 -13.718 8.294 17.232 1.00 0.00 C ATOM 68 C MET A 8 -12.564 7.868 16.331 1.00 0.00 C ATOM 69 O MET A 8 -12.674 6.900 15.580 1.00 0.00 O ATOM 70 CB MET A 8 -13.743 7.427 18.493 1.00 0.00 C ATOM 71 CG MET A 8 -14.264 8.155 19.721 1.00 0.00 C ATOM 72 SD MET A 8 -13.133 9.432 20.304 1.00 0.00 S ATOM 73 CE MET A 8 -14.028 10.053 21.726 1.00 0.00 C ATOM 0 H MET A 8 -15.243 7.253 16.237 1.00 0.00 H new ATOM 0 HA MET A 8 -13.567 9.335 17.518 1.00 0.00 H new ATOM 0 HB2 MET A 8 -14.365 6.551 18.309 1.00 0.00 H new ATOM 0 HB3 MET A 8 -12.735 7.066 18.696 1.00 0.00 H new ATOM 0 HG2 MET A 8 -15.228 8.608 19.488 1.00 0.00 H new ATOM 0 HG3 MET A 8 -14.435 7.434 20.521 1.00 0.00 H new ATOM 0 HE1 MET A 8 -13.455 10.852 22.196 1.00 0.00 H new ATOM 0 HE2 MET A 8 -14.995 10.440 21.406 1.00 0.00 H new ATOM 0 HE3 MET A 8 -14.179 9.245 22.442 1.00 0.00 H new ATOM 83 N GLY A 9 -11.456 8.599 16.410 1.00 0.00 N ATOM 84 CA GLY A 9 -10.298 8.282 15.595 1.00 0.00 C ATOM 85 C GLY A 9 -9.102 9.154 15.923 1.00 0.00 C ATOM 86 O GLY A 9 -9.021 10.300 15.482 1.00 0.00 O ATOM 0 H GLY A 9 -11.340 9.405 17.024 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -10.031 7.235 15.740 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.554 8.403 14.542 1.00 0.00 H new ATOM 90 N ASP A 10 -8.171 8.610 16.700 1.00 0.00 N ATOM 91 CA ASP A 10 -6.973 9.347 17.087 1.00 0.00 C ATOM 92 C ASP A 10 -5.837 9.094 16.101 1.00 0.00 C ATOM 93 O ASP A 10 -5.159 10.024 15.668 1.00 0.00 O ATOM 94 CB ASP A 10 -6.539 8.949 18.499 1.00 0.00 C ATOM 95 CG ASP A 10 -7.699 8.914 19.474 1.00 0.00 C ATOM 96 OD1 ASP A 10 -8.445 9.912 19.543 1.00 0.00 O ATOM 97 OD2 ASP A 10 -7.860 7.888 20.168 1.00 0.00 O ATOM 0 H ASP A 10 -8.223 7.662 17.074 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.210 10.411 17.074 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.066 7.968 18.467 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.788 9.654 18.857 1.00 0.00 H new ATOM 102 N GLY A 11 -5.635 7.827 15.752 1.00 0.00 N ATOM 103 CA GLY A 11 -4.579 7.474 14.821 1.00 0.00 C ATOM 104 C GLY A 11 -5.025 6.443 13.802 1.00 0.00 C ATOM 105 O GLY A 11 -5.688 6.777 12.821 1.00 0.00 O ATOM 0 H GLY A 11 -6.183 7.039 16.097 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.242 8.371 14.302 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.724 7.086 15.376 1.00 0.00 H new ATOM 109 N ALA A 12 -4.659 5.187 14.035 1.00 0.00 N ATOM 110 CA ALA A 12 -5.026 4.104 13.130 1.00 0.00 C ATOM 111 C ALA A 12 -6.530 3.856 13.153 1.00 0.00 C ATOM 112 O ALA A 12 -7.095 3.500 14.188 1.00 0.00 O ATOM 113 CB ALA A 12 -4.273 2.833 13.496 1.00 0.00 C ATOM 0 H ALA A 12 -4.109 4.894 14.842 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.749 4.399 12.118 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.556 2.033 12.813 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.200 3.011 13.421 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -4.522 2.544 14.517 1.00 0.00 H new ATOM 119 N VAL A 13 -7.174 4.047 12.006 1.00 0.00 N ATOM 120 CA VAL A 13 -8.614 3.843 11.895 1.00 0.00 C ATOM 121 C VAL A 13 -8.991 2.402 12.218 1.00 0.00 C ATOM 122 O VAL A 13 -9.893 2.149 13.017 1.00 0.00 O ATOM 123 CB VAL A 13 -9.122 4.190 10.483 1.00 0.00 C ATOM 124 CG1 VAL A 13 -10.633 4.031 10.405 1.00 0.00 C ATOM 125 CG2 VAL A 13 -8.706 5.603 10.100 1.00 0.00 C ATOM 0 H VAL A 13 -6.722 4.343 11.141 1.00 0.00 H new ATOM 0 HA VAL A 13 -9.085 4.510 12.617 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.671 3.497 9.773 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -10.974 4.280 9.400 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -10.903 3.000 10.634 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -11.107 4.698 11.125 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.073 5.832 9.100 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.128 6.312 10.812 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.619 5.678 10.114 1.00 0.00 H new ATOM 135 N LYS A 14 -8.295 1.459 11.593 1.00 0.00 N ATOM 136 CA LYS A 14 -8.554 0.041 11.815 1.00 0.00 C ATOM 137 C LYS A 14 -7.258 -0.712 12.097 1.00 0.00 C ATOM 138 O LYS A 14 -6.201 -0.362 11.573 1.00 0.00 O ATOM 139 CB LYS A 14 -9.255 -0.567 10.598 1.00 0.00 C ATOM 140 CG LYS A 14 -9.689 -2.008 10.802 1.00 0.00 C ATOM 141 CD LYS A 14 -10.252 -2.607 9.525 1.00 0.00 C ATOM 142 CE LYS A 14 -10.514 -4.098 9.676 1.00 0.00 C ATOM 143 NZ LYS A 14 -11.553 -4.579 8.725 1.00 0.00 N ATOM 0 H LYS A 14 -7.546 1.651 10.928 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.204 -0.052 12.685 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.130 0.036 10.355 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.584 -0.516 9.740 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.839 -2.601 11.139 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.442 -2.054 11.589 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.179 -2.099 9.262 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.553 -2.441 8.705 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.588 -4.648 9.510 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.831 -4.309 10.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.548 -5.619 8.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -12.488 -4.244 9.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -11.350 -4.210 7.774 1.00 0.00 H new ATOM 157 N GLN A 15 -7.349 -1.747 12.925 1.00 0.00 N ATOM 158 CA GLN A 15 -6.182 -2.550 13.274 1.00 0.00 C ATOM 159 C GLN A 15 -6.466 -4.036 13.082 1.00 0.00 C ATOM 160 O GLN A 15 -7.573 -4.505 13.342 1.00 0.00 O ATOM 161 CB GLN A 15 -5.768 -2.281 14.722 1.00 0.00 C ATOM 162 CG GLN A 15 -5.185 -0.894 14.941 1.00 0.00 C ATOM 163 CD GLN A 15 -4.908 -0.601 16.402 1.00 0.00 C ATOM 164 OE1 GLN A 15 -5.410 -1.290 17.291 1.00 0.00 O ATOM 165 NE2 GLN A 15 -4.106 0.426 16.659 1.00 0.00 N ATOM 0 H GLN A 15 -8.217 -2.050 13.367 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.365 -2.267 12.610 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.636 -2.407 15.369 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.033 -3.027 15.026 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -4.259 -0.800 14.374 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -5.876 -0.148 14.549 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -3.712 0.970 15.891 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -3.884 0.671 17.624 1.00 0.00 H new ATOM 174 N GLY A 16 -5.457 -4.771 12.623 1.00 0.00 N ATOM 175 CA GLY A 16 -5.619 -6.196 12.403 1.00 0.00 C ATOM 176 C GLY A 16 -4.340 -6.858 11.929 1.00 0.00 C ATOM 177 O GLY A 16 -3.329 -6.190 11.713 1.00 0.00 O ATOM 0 H GLY A 16 -4.531 -4.405 12.400 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -5.948 -6.668 13.329 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.404 -6.360 11.665 1.00 0.00 H new ATOM 181 N PHE A 17 -4.383 -8.177 11.768 1.00 0.00 N ATOM 182 CA PHE A 17 -3.218 -8.931 11.320 1.00 0.00 C ATOM 183 C PHE A 17 -3.413 -9.436 9.893 1.00 0.00 C ATOM 184 O PHE A 17 -4.434 -10.046 9.572 1.00 0.00 O ATOM 185 CB PHE A 17 -2.955 -10.109 12.259 1.00 0.00 C ATOM 186 CG PHE A 17 -2.491 -9.695 13.626 1.00 0.00 C ATOM 187 CD1 PHE A 17 -1.197 -9.241 13.825 1.00 0.00 C ATOM 188 CD2 PHE A 17 -3.349 -9.759 14.712 1.00 0.00 C ATOM 189 CE1 PHE A 17 -0.767 -8.859 15.082 1.00 0.00 C ATOM 190 CE2 PHE A 17 -2.925 -9.378 15.971 1.00 0.00 C ATOM 191 CZ PHE A 17 -1.632 -8.928 16.156 1.00 0.00 C ATOM 0 H PHE A 17 -5.212 -8.745 11.941 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.356 -8.264 11.336 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.868 -10.696 12.357 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.204 -10.760 11.811 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.516 -9.185 12.988 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.361 -10.111 14.573 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.244 -8.507 15.224 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.604 -9.432 16.809 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.298 -8.631 17.139 1.00 0.00 H new ATOM 201 N LEU A 18 -2.428 -9.177 9.041 1.00 0.00 N ATOM 202 CA LEU A 18 -2.490 -9.605 7.647 1.00 0.00 C ATOM 203 C LEU A 18 -1.353 -10.569 7.323 1.00 0.00 C ATOM 204 O LEU A 18 -0.264 -10.474 7.889 1.00 0.00 O ATOM 205 CB LEU A 18 -2.426 -8.392 6.718 1.00 0.00 C ATOM 206 CG LEU A 18 -3.656 -7.484 6.713 1.00 0.00 C ATOM 207 CD1 LEU A 18 -3.302 -6.108 6.171 1.00 0.00 C ATOM 208 CD2 LEU A 18 -4.777 -8.109 5.895 1.00 0.00 C ATOM 0 H LEU A 18 -1.577 -8.673 9.290 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.436 -10.123 7.493 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.558 -7.793 6.995 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.257 -8.747 5.701 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.003 -7.369 7.740 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.190 -5.476 6.175 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.533 -5.657 6.798 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.929 -6.203 5.151 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.644 -7.449 5.903 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.441 -8.255 4.868 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.050 -9.072 6.327 1.00 0.00 H new ATOM 220 N TYR A 19 -1.614 -11.495 6.407 1.00 0.00 N ATOM 221 CA TYR A 19 -0.613 -12.477 6.006 1.00 0.00 C ATOM 222 C TYR A 19 0.004 -12.109 4.661 1.00 0.00 C ATOM 223 O TYR A 19 -0.703 -11.939 3.666 1.00 0.00 O ATOM 224 CB TYR A 19 -1.239 -13.871 5.929 1.00 0.00 C ATOM 225 CG TYR A 19 -2.295 -14.120 6.981 1.00 0.00 C ATOM 226 CD1 TYR A 19 -1.957 -14.217 8.325 1.00 0.00 C ATOM 227 CD2 TYR A 19 -3.633 -14.258 6.631 1.00 0.00 C ATOM 228 CE1 TYR A 19 -2.919 -14.445 9.290 1.00 0.00 C ATOM 229 CE2 TYR A 19 -4.602 -14.484 7.589 1.00 0.00 C ATOM 230 CZ TYR A 19 -4.240 -14.578 8.917 1.00 0.00 C ATOM 231 OH TYR A 19 -5.202 -14.804 9.875 1.00 0.00 O ATOM 0 H TYR A 19 -2.510 -11.586 5.928 1.00 0.00 H new ATOM 0 HA TYR A 19 0.177 -12.481 6.757 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.682 -14.007 4.942 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.453 -14.619 6.031 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.924 -14.112 8.621 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.920 -14.187 5.592 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.638 -14.519 10.330 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.638 -14.587 7.300 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.081 -14.872 9.446 1.00 0.00 H new ATOM 241 N LEU A 20 1.326 -11.987 4.637 1.00 0.00 N ATOM 242 CA LEU A 20 2.041 -11.639 3.414 1.00 0.00 C ATOM 243 C LEU A 20 2.929 -12.792 2.956 1.00 0.00 C ATOM 244 O LEU A 20 3.991 -13.035 3.528 1.00 0.00 O ATOM 245 CB LEU A 20 2.889 -10.385 3.634 1.00 0.00 C ATOM 246 CG LEU A 20 3.804 -9.982 2.477 1.00 0.00 C ATOM 247 CD1 LEU A 20 2.986 -9.668 1.234 1.00 0.00 C ATOM 248 CD2 LEU A 20 4.663 -8.788 2.868 1.00 0.00 C ATOM 0 H LEU A 20 1.925 -12.124 5.451 1.00 0.00 H new ATOM 0 HA LEU A 20 1.304 -11.440 2.636 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.220 -9.552 3.849 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.504 -10.538 4.521 1.00 0.00 H new ATOM 0 HG LEU A 20 4.463 -10.820 2.251 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.654 -9.383 0.421 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.415 -10.549 0.942 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.302 -8.846 1.446 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.308 -8.515 2.033 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.020 -7.945 3.121 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.277 -9.048 3.730 1.00 0.00 H new ATOM 260 N GLN A 21 2.486 -13.497 1.920 1.00 0.00 N ATOM 261 CA GLN A 21 3.241 -14.624 1.384 1.00 0.00 C ATOM 262 C GLN A 21 4.611 -14.173 0.887 1.00 0.00 C ATOM 263 O GLN A 21 4.713 -13.295 0.032 1.00 0.00 O ATOM 264 CB GLN A 21 2.466 -15.289 0.245 1.00 0.00 C ATOM 265 CG GLN A 21 2.756 -16.774 0.098 1.00 0.00 C ATOM 266 CD GLN A 21 1.935 -17.424 -0.998 1.00 0.00 C ATOM 267 OE1 GLN A 21 2.377 -17.526 -2.143 1.00 0.00 O ATOM 268 NE2 GLN A 21 0.732 -17.867 -0.653 1.00 0.00 N ATOM 0 H GLN A 21 1.609 -13.308 1.435 1.00 0.00 H new ATOM 0 HA GLN A 21 3.385 -15.347 2.187 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.398 -15.151 0.414 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.708 -14.785 -0.691 1.00 0.00 H new ATOM 0 HG2 GLN A 21 3.816 -16.914 -0.116 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.553 -17.275 1.044 1.00 0.00 H new ATOM 0 HE21 GLN A 21 0.406 -17.762 0.308 1.00 0.00 H new ATOM 0 HE22 GLN A 21 0.134 -18.313 -1.349 1.00 0.00 H new ATOM 277 N GLN A 22 5.661 -14.781 1.430 1.00 0.00 N ATOM 278 CA GLN A 22 7.025 -14.441 1.043 1.00 0.00 C ATOM 279 C GLN A 22 7.713 -15.628 0.377 1.00 0.00 C ATOM 280 O GLN A 22 7.862 -16.689 0.982 1.00 0.00 O ATOM 281 CB GLN A 22 7.827 -13.990 2.264 1.00 0.00 C ATOM 282 CG GLN A 22 7.318 -12.698 2.883 1.00 0.00 C ATOM 283 CD GLN A 22 7.826 -11.465 2.162 1.00 0.00 C ATOM 284 OE1 GLN A 22 8.171 -11.521 0.982 1.00 0.00 O ATOM 285 NE2 GLN A 22 7.873 -10.343 2.870 1.00 0.00 N ATOM 0 H GLN A 22 5.593 -15.511 2.139 1.00 0.00 H new ATOM 0 HA GLN A 22 6.979 -13.622 0.326 1.00 0.00 H new ATOM 0 HB2 GLN A 22 7.802 -14.778 3.016 1.00 0.00 H new ATOM 0 HB3 GLN A 22 8.870 -13.859 1.975 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.228 -12.698 2.870 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.624 -12.655 3.928 1.00 0.00 H new ATOM 0 HE21 GLN A 22 7.577 -10.343 3.846 1.00 0.00 H new ATOM 0 HE22 GLN A 22 8.205 -9.481 2.438 1.00 0.00 H new ATOM 294 N GLN A 23 8.131 -15.441 -0.871 1.00 0.00 N ATOM 295 CA GLN A 23 8.803 -16.497 -1.618 1.00 0.00 C ATOM 296 C GLN A 23 10.267 -16.609 -1.205 1.00 0.00 C ATOM 297 O GLN A 23 11.117 -15.867 -1.695 1.00 0.00 O ATOM 298 CB GLN A 23 8.703 -16.231 -3.121 1.00 0.00 C ATOM 299 CG GLN A 23 7.273 -16.163 -3.633 1.00 0.00 C ATOM 300 CD GLN A 23 6.717 -17.527 -3.993 1.00 0.00 C ATOM 301 OE1 GLN A 23 6.195 -18.243 -3.138 1.00 0.00 O ATOM 302 NE2 GLN A 23 6.827 -17.895 -5.264 1.00 0.00 N ATOM 0 H GLN A 23 8.016 -14.568 -1.386 1.00 0.00 H new ATOM 0 HA GLN A 23 8.307 -17.441 -1.390 1.00 0.00 H new ATOM 0 HB2 GLN A 23 9.207 -15.292 -3.350 1.00 0.00 H new ATOM 0 HB3 GLN A 23 9.235 -17.017 -3.657 1.00 0.00 H new ATOM 0 HG2 GLN A 23 6.640 -15.706 -2.872 1.00 0.00 H new ATOM 0 HG3 GLN A 23 7.235 -15.516 -4.510 1.00 0.00 H new ATOM 0 HE21 GLN A 23 7.267 -17.270 -5.940 1.00 0.00 H new ATOM 0 HE22 GLN A 23 6.472 -18.803 -5.565 1.00 0.00 H new ATOM 311 N GLN A 24 10.552 -17.541 -0.302 1.00 0.00 N ATOM 312 CA GLN A 24 11.914 -17.748 0.177 1.00 0.00 C ATOM 313 C GLN A 24 12.388 -19.165 -0.128 1.00 0.00 C ATOM 314 O GLN A 24 11.586 -20.096 -0.211 1.00 0.00 O ATOM 315 CB GLN A 24 11.994 -17.483 1.681 1.00 0.00 C ATOM 316 CG GLN A 24 13.383 -17.091 2.157 1.00 0.00 C ATOM 317 CD GLN A 24 13.373 -16.467 3.538 1.00 0.00 C ATOM 318 OE1 GLN A 24 12.407 -16.862 4.359 1.00 0.00 O flip ATOM 319 NE2 GLN A 24 14.223 -15.638 3.865 1.00 0.00 N flip ATOM 0 H GLN A 24 9.859 -18.164 0.113 1.00 0.00 H new ATOM 0 HA GLN A 24 12.566 -17.046 -0.343 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.293 -16.689 1.939 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.674 -18.377 2.216 1.00 0.00 H new ATOM 0 HG2 GLN A 24 14.022 -17.974 2.166 1.00 0.00 H new ATOM 0 HG3 GLN A 24 13.821 -16.388 1.448 1.00 0.00 H new ATOM 0 HE21 GLN A 24 14.948 -15.363 3.203 1.00 0.00 H new ATOM 0 HE22 GLN A 24 14.202 -15.227 4.798 1.00 0.00 H new ATOM 328 N THR A 25 13.698 -19.323 -0.294 1.00 0.00 N ATOM 329 CA THR A 25 14.279 -20.626 -0.591 1.00 0.00 C ATOM 330 C THR A 25 13.971 -21.630 0.514 1.00 0.00 C ATOM 331 O THR A 25 13.715 -22.804 0.246 1.00 0.00 O ATOM 332 CB THR A 25 15.806 -20.532 -0.773 1.00 0.00 C ATOM 333 OG1 THR A 25 16.286 -21.679 -1.482 1.00 0.00 O ATOM 334 CG2 THR A 25 16.506 -20.432 0.573 1.00 0.00 C ATOM 0 H THR A 25 14.376 -18.564 -0.228 1.00 0.00 H new ATOM 0 HA THR A 25 13.830 -20.967 -1.524 1.00 0.00 H new ATOM 0 HB THR A 25 16.027 -19.632 -1.347 1.00 0.00 H new ATOM 0 HG1 THR A 25 17.257 -21.611 -1.595 1.00 0.00 H new ATOM 0 HG21 THR A 25 17.583 -20.367 0.419 1.00 0.00 H new ATOM 0 HG22 THR A 25 16.160 -19.542 1.098 1.00 0.00 H new ATOM 0 HG23 THR A 25 16.278 -21.316 1.168 1.00 0.00 H new ATOM 342 N PHE A 26 13.998 -21.162 1.757 1.00 0.00 N ATOM 343 CA PHE A 26 13.722 -22.019 2.904 1.00 0.00 C ATOM 344 C PHE A 26 12.468 -21.556 3.640 1.00 0.00 C ATOM 345 O PHE A 26 12.244 -21.918 4.794 1.00 0.00 O ATOM 346 CB PHE A 26 14.916 -22.027 3.861 1.00 0.00 C ATOM 347 CG PHE A 26 14.938 -20.856 4.801 1.00 0.00 C ATOM 348 CD1 PHE A 26 15.231 -19.584 4.338 1.00 0.00 C ATOM 349 CD2 PHE A 26 14.665 -21.028 6.149 1.00 0.00 C ATOM 350 CE1 PHE A 26 15.252 -18.504 5.201 1.00 0.00 C ATOM 351 CE2 PHE A 26 14.684 -19.953 7.016 1.00 0.00 C ATOM 352 CZ PHE A 26 14.979 -18.689 6.542 1.00 0.00 C ATOM 0 H PHE A 26 14.208 -20.193 1.996 1.00 0.00 H new ATOM 0 HA PHE A 26 13.553 -23.031 2.537 1.00 0.00 H new ATOM 0 HB2 PHE A 26 14.900 -22.949 4.442 1.00 0.00 H new ATOM 0 HB3 PHE A 26 15.838 -22.033 3.279 1.00 0.00 H new ATOM 0 HD1 PHE A 26 15.446 -19.434 3.290 1.00 0.00 H new ATOM 0 HD2 PHE A 26 14.435 -22.014 6.526 1.00 0.00 H new ATOM 0 HE1 PHE A 26 15.482 -17.517 4.827 1.00 0.00 H new ATOM 0 HE2 PHE A 26 14.468 -20.100 8.064 1.00 0.00 H new ATOM 0 HZ PHE A 26 14.996 -17.848 7.219 1.00 0.00 H new ATOM 362 N GLY A 27 11.654 -20.752 2.963 1.00 0.00 N ATOM 363 CA GLY A 27 10.434 -20.252 3.568 1.00 0.00 C ATOM 364 C GLY A 27 9.192 -20.703 2.826 1.00 0.00 C ATOM 365 O GLY A 27 8.780 -21.858 2.933 1.00 0.00 O ATOM 0 H GLY A 27 11.818 -20.438 2.006 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.379 -20.592 4.602 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.464 -19.163 3.592 1.00 0.00 H new ATOM 369 N LYS A 28 8.590 -19.789 2.072 1.00 0.00 N ATOM 370 CA LYS A 28 7.387 -20.097 1.308 1.00 0.00 C ATOM 371 C LYS A 28 6.247 -20.510 2.234 1.00 0.00 C ATOM 372 O LYS A 28 5.585 -21.523 2.007 1.00 0.00 O ATOM 373 CB LYS A 28 7.670 -21.214 0.300 1.00 0.00 C ATOM 374 CG LYS A 28 8.393 -20.738 -0.947 1.00 0.00 C ATOM 375 CD LYS A 28 8.850 -21.905 -1.806 1.00 0.00 C ATOM 376 CE LYS A 28 7.762 -22.343 -2.775 1.00 0.00 C ATOM 377 NZ LYS A 28 7.573 -21.360 -3.878 1.00 0.00 N ATOM 0 H LYS A 28 8.916 -18.828 1.974 1.00 0.00 H new ATOM 0 HA LYS A 28 7.088 -19.198 0.770 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.268 -21.986 0.784 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.727 -21.677 0.009 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.733 -20.094 -1.528 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.255 -20.136 -0.661 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.742 -21.620 -2.364 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.128 -22.743 -1.166 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.020 -23.315 -3.195 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.823 -22.468 -2.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.050 -21.809 -4.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.036 -20.542 -3.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.501 -21.042 -4.222 1.00 0.00 H new ATOM 391 N LYS A 29 6.021 -19.718 3.276 1.00 0.00 N ATOM 392 CA LYS A 29 4.959 -19.999 4.235 1.00 0.00 C ATOM 393 C LYS A 29 4.193 -18.727 4.587 1.00 0.00 C ATOM 394 O LYS A 29 4.679 -17.618 4.364 1.00 0.00 O ATOM 395 CB LYS A 29 5.542 -20.623 5.505 1.00 0.00 C ATOM 396 CG LYS A 29 5.840 -22.106 5.371 1.00 0.00 C ATOM 397 CD LYS A 29 4.585 -22.945 5.537 1.00 0.00 C ATOM 398 CE LYS A 29 4.336 -23.295 6.996 1.00 0.00 C ATOM 399 NZ LYS A 29 3.210 -24.257 7.151 1.00 0.00 N ATOM 0 H LYS A 29 6.559 -18.876 3.478 1.00 0.00 H new ATOM 0 HA LYS A 29 4.267 -20.704 3.776 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.460 -20.099 5.769 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.842 -20.474 6.327 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.283 -22.302 4.395 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.576 -22.399 6.120 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.728 -22.401 5.141 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.679 -23.861 4.953 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.241 -23.723 7.426 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.116 -22.386 7.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.072 -24.470 8.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.340 -23.839 6.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.430 -25.135 6.639 1.00 0.00 H new ATOM 413 N TRP A 30 2.996 -18.896 5.137 1.00 0.00 N ATOM 414 CA TRP A 30 2.165 -17.761 5.520 1.00 0.00 C ATOM 415 C TRP A 30 2.642 -17.156 6.836 1.00 0.00 C ATOM 416 O TRP A 30 2.705 -17.840 7.857 1.00 0.00 O ATOM 417 CB TRP A 30 0.702 -18.192 5.644 1.00 0.00 C ATOM 418 CG TRP A 30 -0.012 -18.252 4.328 1.00 0.00 C ATOM 419 CD1 TRP A 30 -0.528 -19.364 3.725 1.00 0.00 C ATOM 420 CD2 TRP A 30 -0.288 -17.154 3.452 1.00 0.00 C ATOM 421 NE1 TRP A 30 -1.108 -19.023 2.527 1.00 0.00 N ATOM 422 CE2 TRP A 30 -0.975 -17.673 2.336 1.00 0.00 C ATOM 423 CE3 TRP A 30 -0.024 -15.783 3.501 1.00 0.00 C ATOM 424 CZ2 TRP A 30 -1.398 -16.868 1.282 1.00 0.00 C ATOM 425 CZ3 TRP A 30 -0.444 -14.985 2.454 1.00 0.00 C ATOM 426 CH2 TRP A 30 -1.126 -15.529 1.357 1.00 0.00 C ATOM 0 H TRP A 30 2.580 -19.807 5.328 1.00 0.00 H new ATOM 0 HA TRP A 30 2.249 -17.003 4.741 1.00 0.00 H new ATOM 0 HB2 TRP A 30 0.658 -19.172 6.118 1.00 0.00 H new ATOM 0 HB3 TRP A 30 0.180 -17.497 6.301 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -0.486 -20.364 4.130 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -1.564 -19.670 1.884 1.00 0.00 H new ATOM 0 HE3 TRP A 30 0.499 -15.354 4.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -1.922 -17.285 0.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -0.243 -13.924 2.481 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -1.443 -14.879 0.555 1.00 0.00 H new ATOM 437 N ARG A 31 2.977 -15.871 6.804 1.00 0.00 N ATOM 438 CA ARG A 31 3.450 -15.175 7.995 1.00 0.00 C ATOM 439 C ARG A 31 2.600 -13.939 8.276 1.00 0.00 C ATOM 440 O ARG A 31 2.357 -13.125 7.385 1.00 0.00 O ATOM 441 CB ARG A 31 4.916 -14.771 7.828 1.00 0.00 C ATOM 442 CG ARG A 31 5.894 -15.898 8.114 1.00 0.00 C ATOM 443 CD ARG A 31 6.186 -16.714 6.864 1.00 0.00 C ATOM 444 NE ARG A 31 7.101 -17.820 7.134 1.00 0.00 N ATOM 445 CZ ARG A 31 6.757 -18.911 7.807 1.00 0.00 C ATOM 446 NH1 ARG A 31 5.524 -19.043 8.276 1.00 0.00 N ATOM 447 NH2 ARG A 31 7.646 -19.875 8.011 1.00 0.00 N ATOM 0 H ARG A 31 2.930 -15.290 5.967 1.00 0.00 H new ATOM 0 HA ARG A 31 3.362 -15.856 8.842 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.072 -14.415 6.810 1.00 0.00 H new ATOM 0 HB3 ARG A 31 5.132 -13.936 8.494 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.824 -15.484 8.505 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.485 -16.549 8.887 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.252 -17.106 6.461 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.616 -16.066 6.100 1.00 0.00 H new ATOM 0 HE ARG A 31 8.057 -17.750 6.786 1.00 0.00 H new ATOM 0 HH11 ARG A 31 4.837 -18.305 8.120 1.00 0.00 H new ATOM 0 HH12 ARG A 31 5.262 -19.882 8.793 1.00 0.00 H new ATOM 0 HH21 ARG A 31 8.595 -19.778 7.650 1.00 0.00 H new ATOM 0 HH22 ARG A 31 7.380 -20.713 8.528 1.00 0.00 H new ATOM 461 N ARG A 32 2.150 -13.807 9.520 1.00 0.00 N ATOM 462 CA ARG A 32 1.326 -12.672 9.917 1.00 0.00 C ATOM 463 C ARG A 32 2.179 -11.574 10.546 1.00 0.00 C ATOM 464 O ARG A 32 3.224 -11.847 11.137 1.00 0.00 O ATOM 465 CB ARG A 32 0.245 -13.120 10.903 1.00 0.00 C ATOM 466 CG ARG A 32 0.775 -13.412 12.297 1.00 0.00 C ATOM 467 CD ARG A 32 1.084 -14.890 12.478 1.00 0.00 C ATOM 468 NE ARG A 32 2.194 -15.108 13.402 1.00 0.00 N ATOM 469 CZ ARG A 32 2.415 -16.259 14.026 1.00 0.00 C ATOM 470 NH1 ARG A 32 1.607 -17.291 13.827 1.00 0.00 N ATOM 471 NH2 ARG A 32 3.447 -16.380 14.851 1.00 0.00 N ATOM 0 H ARG A 32 2.342 -14.472 10.269 1.00 0.00 H new ATOM 0 HA ARG A 32 0.849 -12.271 9.023 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.518 -12.345 10.969 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.242 -14.014 10.514 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.677 -12.826 12.474 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.041 -13.099 13.039 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.197 -15.403 12.850 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.325 -15.331 11.511 1.00 0.00 H new ATOM 0 HE ARG A 32 2.834 -14.334 13.578 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.813 -17.202 13.193 1.00 0.00 H new ATOM 0 HH12 ARG A 32 1.779 -18.174 14.308 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.071 -15.588 15.006 1.00 0.00 H new ATOM 0 HH22 ARG A 32 3.616 -17.265 15.330 1.00 0.00 H new ATOM 485 N PHE A 33 1.727 -10.332 10.414 1.00 0.00 N ATOM 486 CA PHE A 33 2.449 -9.192 10.968 1.00 0.00 C ATOM 487 C PHE A 33 1.483 -8.087 11.386 1.00 0.00 C ATOM 488 O PHE A 33 0.429 -7.906 10.778 1.00 0.00 O ATOM 489 CB PHE A 33 3.450 -8.650 9.945 1.00 0.00 C ATOM 490 CG PHE A 33 4.246 -9.723 9.259 1.00 0.00 C ATOM 491 CD1 PHE A 33 5.314 -10.329 9.901 1.00 0.00 C ATOM 492 CD2 PHE A 33 3.928 -10.125 7.972 1.00 0.00 C ATOM 493 CE1 PHE A 33 6.049 -11.317 9.273 1.00 0.00 C ATOM 494 CE2 PHE A 33 4.658 -11.113 7.339 1.00 0.00 C ATOM 495 CZ PHE A 33 5.721 -11.709 7.990 1.00 0.00 C ATOM 0 H PHE A 33 0.864 -10.089 9.928 1.00 0.00 H new ATOM 0 HA PHE A 33 2.990 -9.531 11.852 1.00 0.00 H new ATOM 0 HB2 PHE A 33 2.912 -8.071 9.194 1.00 0.00 H new ATOM 0 HB3 PHE A 33 4.134 -7.965 10.446 1.00 0.00 H new ATOM 0 HD1 PHE A 33 5.575 -10.026 10.904 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.100 -9.661 7.457 1.00 0.00 H new ATOM 0 HE1 PHE A 33 6.879 -11.782 9.785 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.398 -11.419 6.336 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.294 -12.480 7.497 1.00 0.00 H new ATOM 505 N GLY A 34 1.852 -7.351 12.430 1.00 0.00 N ATOM 506 CA GLY A 34 1.008 -6.274 12.913 1.00 0.00 C ATOM 507 C GLY A 34 0.760 -5.214 11.858 1.00 0.00 C ATOM 508 O GLY A 34 1.617 -4.368 11.605 1.00 0.00 O ATOM 0 H GLY A 34 2.720 -7.481 12.950 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.054 -6.684 13.243 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.475 -5.813 13.784 1.00 0.00 H new ATOM 512 N ALA A 35 -0.416 -5.261 11.239 1.00 0.00 N ATOM 513 CA ALA A 35 -0.774 -4.298 10.206 1.00 0.00 C ATOM 514 C ALA A 35 -1.682 -3.207 10.764 1.00 0.00 C ATOM 515 O ALA A 35 -2.748 -3.492 11.308 1.00 0.00 O ATOM 516 CB ALA A 35 -1.449 -5.003 9.038 1.00 0.00 C ATOM 0 H ALA A 35 -1.136 -5.956 11.436 1.00 0.00 H new ATOM 0 HA ALA A 35 0.142 -3.826 9.851 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.711 -4.271 8.274 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.767 -5.741 8.615 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.353 -5.502 9.387 1.00 0.00 H new ATOM 522 N SER A 36 -1.251 -1.957 10.625 1.00 0.00 N ATOM 523 CA SER A 36 -2.023 -0.823 11.119 1.00 0.00 C ATOM 524 C SER A 36 -2.420 0.105 9.975 1.00 0.00 C ATOM 525 O SER A 36 -1.587 0.485 9.151 1.00 0.00 O ATOM 526 CB SER A 36 -1.218 -0.047 12.164 1.00 0.00 C ATOM 527 OG SER A 36 -0.840 -0.886 13.242 1.00 0.00 O ATOM 0 H SER A 36 -0.372 -1.704 10.174 1.00 0.00 H new ATOM 0 HA SER A 36 -2.931 -1.209 11.582 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.328 0.378 11.700 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.811 0.787 12.539 1.00 0.00 H new ATOM 0 HG SER A 36 0.103 -0.734 13.460 1.00 0.00 H new ATOM 533 N LEU A 37 -3.697 0.465 9.930 1.00 0.00 N ATOM 534 CA LEU A 37 -4.207 1.349 8.886 1.00 0.00 C ATOM 535 C LEU A 37 -4.407 2.763 9.421 1.00 0.00 C ATOM 536 O LEU A 37 -5.272 3.003 10.264 1.00 0.00 O ATOM 537 CB LEU A 37 -5.527 0.809 8.333 1.00 0.00 C ATOM 538 CG LEU A 37 -6.153 1.609 7.190 1.00 0.00 C ATOM 539 CD1 LEU A 37 -5.240 1.607 5.974 1.00 0.00 C ATOM 540 CD2 LEU A 37 -7.521 1.048 6.833 1.00 0.00 C ATOM 0 H LEU A 37 -4.399 0.159 10.604 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.471 1.385 8.082 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.363 -0.212 7.988 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.246 0.757 9.150 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.280 2.640 7.521 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.702 2.181 5.171 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.283 2.057 6.237 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.080 0.582 5.641 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.951 1.630 6.018 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.418 0.008 6.522 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.175 1.103 7.703 1.00 0.00 H new ATOM 552 N TYR A 38 -3.603 3.697 8.923 1.00 0.00 N ATOM 553 CA TYR A 38 -3.692 5.088 9.351 1.00 0.00 C ATOM 554 C TYR A 38 -4.390 5.939 8.295 1.00 0.00 C ATOM 555 O TYR A 38 -4.432 5.579 7.119 1.00 0.00 O ATOM 556 CB TYR A 38 -2.296 5.648 9.631 1.00 0.00 C ATOM 557 CG TYR A 38 -1.581 4.949 10.765 1.00 0.00 C ATOM 558 CD1 TYR A 38 -1.980 5.133 12.083 1.00 0.00 C ATOM 559 CD2 TYR A 38 -0.504 4.105 10.519 1.00 0.00 C ATOM 560 CE1 TYR A 38 -1.329 4.497 13.123 1.00 0.00 C ATOM 561 CE2 TYR A 38 0.152 3.464 11.552 1.00 0.00 C ATOM 562 CZ TYR A 38 -0.264 3.664 12.852 1.00 0.00 C ATOM 563 OH TYR A 38 0.388 3.028 13.884 1.00 0.00 O ATOM 0 H TYR A 38 -2.883 3.516 8.223 1.00 0.00 H new ATOM 0 HA TYR A 38 -4.281 5.122 10.268 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -1.693 5.567 8.727 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.379 6.710 9.864 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.814 5.785 12.299 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.174 3.948 9.503 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.652 4.651 14.142 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.986 2.810 11.343 1.00 0.00 H new ATOM 0 HH TYR A 38 0.664 2.133 13.595 1.00 0.00 H new ATOM 573 N GLY A 39 -4.937 7.073 8.724 1.00 0.00 N ATOM 574 CA GLY A 39 -5.626 7.959 7.804 1.00 0.00 C ATOM 575 C GLY A 39 -7.112 8.050 8.090 1.00 0.00 C ATOM 576 O GLY A 39 -7.524 8.140 9.245 1.00 0.00 O ATOM 0 H GLY A 39 -4.915 7.393 9.692 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.186 8.954 7.865 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.476 7.606 6.784 1.00 0.00 H new ATOM 580 N GLY A 40 -7.919 8.029 7.033 1.00 0.00 N ATOM 581 CA GLY A 40 -9.359 8.113 7.198 1.00 0.00 C ATOM 582 C GLY A 40 -9.874 9.533 7.078 1.00 0.00 C ATOM 583 O GLY A 40 -10.801 9.802 6.313 1.00 0.00 O ATOM 0 H GLY A 40 -7.602 7.955 6.066 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.845 7.489 6.448 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.634 7.711 8.173 1.00 0.00 H new ATOM 587 N SER A 41 -9.274 10.445 7.836 1.00 0.00 N ATOM 588 CA SER A 41 -9.681 11.845 7.816 1.00 0.00 C ATOM 589 C SER A 41 -9.241 12.520 6.520 1.00 0.00 C ATOM 590 O SER A 41 -8.217 12.162 5.938 1.00 0.00 O ATOM 591 CB SER A 41 -9.093 12.587 9.017 1.00 0.00 C ATOM 592 OG SER A 41 -7.680 12.486 9.036 1.00 0.00 O ATOM 0 H SER A 41 -8.504 10.239 8.472 1.00 0.00 H new ATOM 0 HA SER A 41 -10.769 11.882 7.873 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.385 13.636 8.979 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.503 12.175 9.939 1.00 0.00 H new ATOM 0 HG SER A 41 -7.328 12.970 9.812 1.00 0.00 H new ATOM 598 N ASP A 42 -10.022 13.498 6.075 1.00 0.00 N ATOM 599 CA ASP A 42 -9.713 14.225 4.850 1.00 0.00 C ATOM 600 C ASP A 42 -8.358 14.918 4.956 1.00 0.00 C ATOM 601 O ASP A 42 -7.783 15.016 6.040 1.00 0.00 O ATOM 602 CB ASP A 42 -10.805 15.255 4.554 1.00 0.00 C ATOM 603 CG ASP A 42 -12.169 14.617 4.375 1.00 0.00 C ATOM 604 OD1 ASP A 42 -12.261 13.608 3.645 1.00 0.00 O ATOM 605 OD2 ASP A 42 -13.143 15.127 4.966 1.00 0.00 O ATOM 0 H ASP A 42 -10.874 13.805 6.544 1.00 0.00 H new ATOM 0 HA ASP A 42 -9.670 13.507 4.031 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -10.849 15.978 5.369 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -10.544 15.808 3.651 1.00 0.00 H new ATOM 610 N CYS A 43 -7.854 15.397 3.824 1.00 0.00 N ATOM 611 CA CYS A 43 -6.566 16.079 3.789 1.00 0.00 C ATOM 612 C CYS A 43 -5.586 15.442 4.769 1.00 0.00 C ATOM 613 O CYS A 43 -4.842 16.138 5.459 1.00 0.00 O ATOM 614 CB CYS A 43 -6.742 17.563 4.117 1.00 0.00 C ATOM 615 SG CYS A 43 -7.192 17.889 5.838 1.00 0.00 S ATOM 0 H CYS A 43 -8.318 15.325 2.918 1.00 0.00 H new ATOM 0 HA CYS A 43 -6.159 15.982 2.782 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -5.814 18.087 3.890 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -7.511 17.979 3.466 1.00 0.00 H new ATOM 0 HG CYS A 43 -7.486 16.769 6.429 1.00 0.00 H new ATOM 621 N ALA A 44 -5.593 14.114 4.824 1.00 0.00 N ATOM 622 CA ALA A 44 -4.705 13.383 5.719 1.00 0.00 C ATOM 623 C ALA A 44 -3.891 12.343 4.956 1.00 0.00 C ATOM 624 O ALA A 44 -4.095 12.137 3.759 1.00 0.00 O ATOM 625 CB ALA A 44 -5.505 12.719 6.830 1.00 0.00 C ATOM 0 H ALA A 44 -6.203 13.523 4.260 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.010 14.096 6.163 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.829 12.177 7.491 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.037 13.480 7.400 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.223 12.024 6.396 1.00 0.00 H new ATOM 631 N LEU A 45 -2.970 11.690 5.655 1.00 0.00 N ATOM 632 CA LEU A 45 -2.124 10.671 5.043 1.00 0.00 C ATOM 633 C LEU A 45 -2.564 9.273 5.466 1.00 0.00 C ATOM 634 O LEU A 45 -2.991 9.062 6.601 1.00 0.00 O ATOM 635 CB LEU A 45 -0.661 10.895 5.428 1.00 0.00 C ATOM 636 CG LEU A 45 0.244 9.664 5.375 1.00 0.00 C ATOM 637 CD1 LEU A 45 0.343 9.135 3.952 1.00 0.00 C ATOM 638 CD2 LEU A 45 1.625 9.993 5.921 1.00 0.00 C ATOM 0 H LEU A 45 -2.790 11.848 6.646 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.225 10.753 3.961 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.245 11.656 4.767 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.630 11.300 6.439 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.196 8.887 6.000 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.991 8.259 3.934 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.650 8.859 3.596 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.759 9.907 3.305 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.255 9.105 5.875 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.073 10.787 5.323 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.538 10.323 6.956 1.00 0.00 H new ATOM 650 N ALA A 46 -2.455 8.320 4.546 1.00 0.00 N ATOM 651 CA ALA A 46 -2.837 6.941 4.824 1.00 0.00 C ATOM 652 C ALA A 46 -1.783 5.965 4.313 1.00 0.00 C ATOM 653 O ALA A 46 -1.355 6.046 3.161 1.00 0.00 O ATOM 654 CB ALA A 46 -4.191 6.633 4.203 1.00 0.00 C ATOM 0 H ALA A 46 -2.105 8.478 3.601 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.910 6.821 5.905 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.464 5.600 4.419 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.944 7.302 4.621 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.137 6.776 3.124 1.00 0.00 H new ATOM 660 N ARG A 47 -1.367 5.044 5.176 1.00 0.00 N ATOM 661 CA ARG A 47 -0.361 4.054 4.811 1.00 0.00 C ATOM 662 C ARG A 47 -0.470 2.816 5.697 1.00 0.00 C ATOM 663 O ARG A 47 -0.860 2.906 6.862 1.00 0.00 O ATOM 664 CB ARG A 47 1.041 4.654 4.925 1.00 0.00 C ATOM 665 CG ARG A 47 1.362 5.194 6.310 1.00 0.00 C ATOM 666 CD ARG A 47 2.856 5.416 6.489 1.00 0.00 C ATOM 667 NE ARG A 47 3.265 6.752 6.065 1.00 0.00 N ATOM 668 CZ ARG A 47 4.355 7.364 6.515 1.00 0.00 C ATOM 669 NH1 ARG A 47 5.141 6.762 7.397 1.00 0.00 N ATOM 670 NH2 ARG A 47 4.661 8.580 6.082 1.00 0.00 N ATOM 0 H ARG A 47 -1.711 4.963 6.133 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.538 3.757 3.777 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.775 3.893 4.662 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.143 5.460 4.198 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.832 6.133 6.467 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.004 4.495 7.066 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.121 5.271 7.536 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.405 4.670 5.915 1.00 0.00 H new ATOM 0 HE ARG A 47 2.682 7.242 5.386 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.909 5.827 7.732 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.977 7.234 7.741 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.059 9.046 5.403 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.498 9.049 6.428 1.00 0.00 H new ATOM 684 N LEU A 48 -0.124 1.662 5.138 1.00 0.00 N ATOM 685 CA LEU A 48 -0.183 0.406 5.877 1.00 0.00 C ATOM 686 C LEU A 48 1.202 -0.004 6.366 1.00 0.00 C ATOM 687 O LEU A 48 2.087 -0.311 5.568 1.00 0.00 O ATOM 688 CB LEU A 48 -0.773 -0.698 4.997 1.00 0.00 C ATOM 689 CG LEU A 48 -1.544 -1.798 5.728 1.00 0.00 C ATOM 690 CD1 LEU A 48 -2.781 -1.225 6.402 1.00 0.00 C ATOM 691 CD2 LEU A 48 -1.927 -2.912 4.764 1.00 0.00 C ATOM 0 H LEU A 48 0.200 1.570 4.175 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.825 0.553 6.745 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.440 -0.237 4.269 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.039 -1.162 4.437 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.897 -2.218 6.498 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.317 -2.022 6.917 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.483 -0.464 7.123 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.431 -0.778 5.650 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.475 -3.686 5.302 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.556 -2.507 3.971 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.025 -3.342 4.328 1.00 0.00 H new ATOM 703 N GLU A 49 1.382 -0.008 7.683 1.00 0.00 N ATOM 704 CA GLU A 49 2.660 -0.381 8.278 1.00 0.00 C ATOM 705 C GLU A 49 2.649 -1.843 8.717 1.00 0.00 C ATOM 706 O GLU A 49 1.587 -2.445 8.884 1.00 0.00 O ATOM 707 CB GLU A 49 2.974 0.520 9.474 1.00 0.00 C ATOM 708 CG GLU A 49 1.892 0.514 10.541 1.00 0.00 C ATOM 709 CD GLU A 49 2.393 1.010 11.883 1.00 0.00 C ATOM 710 OE1 GLU A 49 3.153 2.002 11.903 1.00 0.00 O ATOM 711 OE2 GLU A 49 2.027 0.408 12.914 1.00 0.00 O ATOM 0 H GLU A 49 0.659 0.243 8.358 1.00 0.00 H new ATOM 0 HA GLU A 49 3.435 -0.252 7.523 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.915 0.201 9.921 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.119 1.541 9.121 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.061 1.139 10.214 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.504 -0.498 10.654 1.00 0.00 H new ATOM 718 N LEU A 50 3.837 -2.407 8.903 1.00 0.00 N ATOM 719 CA LEU A 50 3.966 -3.798 9.322 1.00 0.00 C ATOM 720 C LEU A 50 4.976 -3.934 10.457 1.00 0.00 C ATOM 721 O LEU A 50 5.781 -3.034 10.693 1.00 0.00 O ATOM 722 CB LEU A 50 4.390 -4.671 8.140 1.00 0.00 C ATOM 723 CG LEU A 50 3.373 -4.804 7.005 1.00 0.00 C ATOM 724 CD1 LEU A 50 3.916 -5.703 5.905 1.00 0.00 C ATOM 725 CD2 LEU A 50 2.052 -5.342 7.533 1.00 0.00 C ATOM 0 H LEU A 50 4.725 -1.923 8.770 1.00 0.00 H new ATOM 0 HA LEU A 50 2.994 -4.134 9.683 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.314 -4.266 7.728 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.619 -5.669 8.515 1.00 0.00 H new ATOM 0 HG LEU A 50 3.196 -3.815 6.583 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.179 -5.786 5.106 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.836 -5.276 5.507 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.122 -6.693 6.313 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.341 -5.430 6.712 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.212 -6.323 7.981 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.656 -4.659 8.285 1.00 0.00 H new ATOM 737 N GLN A 51 4.928 -5.065 11.153 1.00 0.00 N ATOM 738 CA GLN A 51 5.841 -5.318 12.262 1.00 0.00 C ATOM 739 C GLN A 51 6.147 -6.807 12.386 1.00 0.00 C ATOM 740 O GLN A 51 5.239 -7.634 12.437 1.00 0.00 O ATOM 741 CB GLN A 51 5.243 -4.798 13.571 1.00 0.00 C ATOM 742 CG GLN A 51 6.283 -4.507 14.641 1.00 0.00 C ATOM 743 CD GLN A 51 5.693 -4.487 16.037 1.00 0.00 C ATOM 744 OE1 GLN A 51 5.279 -5.520 16.564 1.00 0.00 O ATOM 745 NE2 GLN A 51 5.651 -3.307 16.646 1.00 0.00 N ATOM 0 H GLN A 51 4.267 -5.820 10.969 1.00 0.00 H new ATOM 0 HA GLN A 51 6.773 -4.789 12.061 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.679 -3.888 13.367 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.535 -5.533 13.954 1.00 0.00 H new ATOM 0 HG2 GLN A 51 7.069 -5.261 14.593 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.752 -3.545 14.435 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.005 -2.476 16.173 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.265 -3.232 17.587 1.00 0.00 H new ATOM 754 N GLU A 52 7.434 -7.139 12.432 1.00 0.00 N ATOM 755 CA GLU A 52 7.859 -8.529 12.548 1.00 0.00 C ATOM 756 C GLU A 52 8.378 -8.823 13.952 1.00 0.00 C ATOM 757 O GLU A 52 9.274 -8.143 14.450 1.00 0.00 O ATOM 758 CB GLU A 52 8.945 -8.841 11.515 1.00 0.00 C ATOM 759 CG GLU A 52 9.154 -10.328 11.283 1.00 0.00 C ATOM 760 CD GLU A 52 10.390 -10.621 10.455 1.00 0.00 C ATOM 761 OE1 GLU A 52 11.464 -10.071 10.776 1.00 0.00 O ATOM 762 OE2 GLU A 52 10.282 -11.400 9.484 1.00 0.00 O ATOM 0 H GLU A 52 8.199 -6.465 12.391 1.00 0.00 H new ATOM 0 HA GLU A 52 6.994 -9.164 12.358 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.682 -8.368 10.569 1.00 0.00 H new ATOM 0 HB3 GLU A 52 9.885 -8.397 11.843 1.00 0.00 H new ATOM 0 HG2 GLU A 52 9.237 -10.834 12.245 1.00 0.00 H new ATOM 0 HG3 GLU A 52 8.279 -10.740 10.781 1.00 0.00 H new ATOM 769 N GLY A 53 7.807 -9.843 14.586 1.00 0.00 N ATOM 770 CA GLY A 53 8.223 -10.210 15.927 1.00 0.00 C ATOM 771 C GLY A 53 7.064 -10.253 16.903 1.00 0.00 C ATOM 772 O GLY A 53 6.785 -9.285 17.611 1.00 0.00 O ATOM 0 H GLY A 53 7.064 -10.422 14.195 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.707 -11.186 15.899 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.966 -9.496 16.282 1.00 0.00 H new ATOM 776 N PRO A 54 6.365 -11.397 16.948 1.00 0.00 N ATOM 777 CA PRO A 54 5.217 -11.588 17.839 1.00 0.00 C ATOM 778 C PRO A 54 5.629 -11.668 19.306 1.00 0.00 C ATOM 779 O PRO A 54 4.944 -11.140 20.181 1.00 0.00 O ATOM 780 CB PRO A 54 4.628 -12.923 17.376 1.00 0.00 C ATOM 781 CG PRO A 54 5.772 -13.647 16.755 1.00 0.00 C ATOM 782 CD PRO A 54 6.641 -12.591 16.132 1.00 0.00 C ATOM 0 HA PRO A 54 4.516 -10.755 17.785 1.00 0.00 H new ATOM 0 HB2 PRO A 54 4.212 -13.484 18.213 1.00 0.00 H new ATOM 0 HB3 PRO A 54 3.820 -12.772 16.660 1.00 0.00 H new ATOM 0 HG2 PRO A 54 6.325 -14.217 17.502 1.00 0.00 H new ATOM 0 HG3 PRO A 54 5.424 -14.358 16.006 1.00 0.00 H new ATOM 0 HD2 PRO A 54 7.695 -12.866 16.166 1.00 0.00 H new ATOM 0 HD3 PRO A 54 6.388 -12.429 15.084 1.00 0.00 H new ATOM 790 N GLU A 55 6.752 -12.330 19.565 1.00 0.00 N ATOM 791 CA GLU A 55 7.254 -12.478 20.926 1.00 0.00 C ATOM 792 C GLU A 55 8.780 -12.508 20.943 1.00 0.00 C ATOM 793 O GLU A 55 9.399 -13.461 20.471 1.00 0.00 O ATOM 794 CB GLU A 55 6.701 -13.756 21.561 1.00 0.00 C ATOM 795 CG GLU A 55 5.183 -13.797 21.623 1.00 0.00 C ATOM 796 CD GLU A 55 4.653 -15.160 22.023 1.00 0.00 C ATOM 797 OE1 GLU A 55 5.025 -15.644 23.112 1.00 0.00 O ATOM 798 OE2 GLU A 55 3.866 -15.742 21.247 1.00 0.00 O ATOM 0 H GLU A 55 7.331 -12.772 18.851 1.00 0.00 H new ATOM 0 HA GLU A 55 6.918 -11.618 21.505 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.057 -14.617 20.994 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.100 -13.852 22.571 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.832 -13.051 22.336 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.776 -13.524 20.649 1.00 0.00 H new ATOM 805 N LYS A 56 9.380 -11.456 21.490 1.00 0.00 N ATOM 806 CA LYS A 56 10.832 -11.360 21.571 1.00 0.00 C ATOM 807 C LYS A 56 11.262 -10.696 22.875 1.00 0.00 C ATOM 808 O LYS A 56 10.607 -9.785 23.382 1.00 0.00 O ATOM 809 CB LYS A 56 11.378 -10.569 20.380 1.00 0.00 C ATOM 810 CG LYS A 56 11.482 -11.385 19.103 1.00 0.00 C ATOM 811 CD LYS A 56 12.285 -10.656 18.039 1.00 0.00 C ATOM 812 CE LYS A 56 12.804 -11.615 16.979 1.00 0.00 C ATOM 813 NZ LYS A 56 11.716 -12.460 16.413 1.00 0.00 N ATOM 0 H LYS A 56 8.882 -10.658 21.884 1.00 0.00 H new ATOM 0 HA LYS A 56 11.240 -12.371 21.547 1.00 0.00 H new ATOM 0 HB2 LYS A 56 10.733 -9.709 20.200 1.00 0.00 H new ATOM 0 HB3 LYS A 56 12.364 -10.181 20.634 1.00 0.00 H new ATOM 0 HG2 LYS A 56 11.951 -12.344 19.321 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.483 -11.598 18.724 1.00 0.00 H new ATOM 0 HD2 LYS A 56 11.662 -9.895 17.569 1.00 0.00 H new ATOM 0 HD3 LYS A 56 13.123 -10.139 18.505 1.00 0.00 H new ATOM 0 HE2 LYS A 56 13.278 -11.048 16.177 1.00 0.00 H new ATOM 0 HE3 LYS A 56 13.572 -12.255 17.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 12.068 -12.963 15.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 11.407 -13.151 17.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 10.912 -11.857 16.144 1.00 0.00 H new ATOM 827 N PRO A 57 12.390 -11.161 23.433 1.00 0.00 N ATOM 828 CA PRO A 57 12.933 -10.625 24.685 1.00 0.00 C ATOM 829 C PRO A 57 13.481 -9.211 24.521 1.00 0.00 C ATOM 830 O PRO A 57 14.640 -9.024 24.151 1.00 0.00 O ATOM 831 CB PRO A 57 14.063 -11.600 25.028 1.00 0.00 C ATOM 832 CG PRO A 57 14.472 -12.180 23.718 1.00 0.00 C ATOM 833 CD PRO A 57 13.222 -12.245 22.885 1.00 0.00 C ATOM 0 HA PRO A 57 12.170 -10.546 25.459 1.00 0.00 H new ATOM 0 HB2 PRO A 57 14.895 -11.088 25.511 1.00 0.00 H new ATOM 0 HB3 PRO A 57 13.723 -12.375 25.715 1.00 0.00 H new ATOM 0 HG2 PRO A 57 15.230 -11.561 23.237 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.906 -13.171 23.849 1.00 0.00 H new ATOM 0 HD2 PRO A 57 13.436 -12.092 21.827 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.730 -13.213 22.974 1.00 0.00 H new ATOM 841 N ARG A 58 12.640 -8.220 24.798 1.00 0.00 N ATOM 842 CA ARG A 58 13.040 -6.823 24.681 1.00 0.00 C ATOM 843 C ARG A 58 14.010 -6.632 23.519 1.00 0.00 C ATOM 844 O ARG A 58 14.920 -5.805 23.586 1.00 0.00 O ATOM 845 CB ARG A 58 13.686 -6.344 25.982 1.00 0.00 C ATOM 846 CG ARG A 58 12.688 -5.809 26.996 1.00 0.00 C ATOM 847 CD ARG A 58 13.389 -5.196 28.198 1.00 0.00 C ATOM 848 NE ARG A 58 12.552 -5.227 29.395 1.00 0.00 N ATOM 849 CZ ARG A 58 11.544 -4.389 29.608 1.00 0.00 C ATOM 850 NH1 ARG A 58 11.249 -3.459 28.710 1.00 0.00 N ATOM 851 NH2 ARG A 58 10.828 -4.480 30.722 1.00 0.00 N ATOM 0 H ARG A 58 11.677 -8.359 25.105 1.00 0.00 H new ATOM 0 HA ARG A 58 12.146 -6.230 24.488 1.00 0.00 H new ATOM 0 HB2 ARG A 58 14.238 -7.170 26.429 1.00 0.00 H new ATOM 0 HB3 ARG A 58 14.411 -5.564 25.752 1.00 0.00 H new ATOM 0 HG2 ARG A 58 12.053 -5.060 26.523 1.00 0.00 H new ATOM 0 HG3 ARG A 58 12.035 -6.617 27.327 1.00 0.00 H new ATOM 0 HD2 ARG A 58 14.317 -5.735 28.390 1.00 0.00 H new ATOM 0 HD3 ARG A 58 13.661 -4.165 27.972 1.00 0.00 H new ATOM 0 HE ARG A 58 12.753 -5.931 30.106 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.797 -3.386 27.853 1.00 0.00 H new ATOM 0 HH12 ARG A 58 10.474 -2.817 28.876 1.00 0.00 H new ATOM 0 HH21 ARG A 58 11.052 -5.194 31.415 1.00 0.00 H new ATOM 0 HH22 ARG A 58 10.054 -3.836 30.885 1.00 0.00 H new ATOM 865 N ARG A 59 13.810 -7.402 22.454 1.00 0.00 N ATOM 866 CA ARG A 59 14.668 -7.318 21.278 1.00 0.00 C ATOM 867 C ARG A 59 13.836 -7.168 20.008 1.00 0.00 C ATOM 868 O ARG A 59 12.903 -7.936 19.770 1.00 0.00 O ATOM 869 CB ARG A 59 15.553 -8.562 21.177 1.00 0.00 C ATOM 870 CG ARG A 59 16.480 -8.554 19.972 1.00 0.00 C ATOM 871 CD ARG A 59 17.154 -9.903 19.779 1.00 0.00 C ATOM 872 NE ARG A 59 18.354 -9.801 18.953 1.00 0.00 N ATOM 873 CZ ARG A 59 19.531 -9.392 19.415 1.00 0.00 C ATOM 874 NH1 ARG A 59 19.664 -9.048 20.688 1.00 0.00 N ATOM 875 NH2 ARG A 59 20.577 -9.326 18.601 1.00 0.00 N ATOM 0 H ARG A 59 13.061 -8.091 22.381 1.00 0.00 H new ATOM 0 HA ARG A 59 15.301 -6.437 21.383 1.00 0.00 H new ATOM 0 HB2 ARG A 59 16.151 -8.647 22.084 1.00 0.00 H new ATOM 0 HB3 ARG A 59 14.918 -9.447 21.130 1.00 0.00 H new ATOM 0 HG2 ARG A 59 15.913 -8.298 19.077 1.00 0.00 H new ATOM 0 HG3 ARG A 59 17.239 -7.782 20.100 1.00 0.00 H new ATOM 0 HD2 ARG A 59 17.417 -10.319 20.751 1.00 0.00 H new ATOM 0 HD3 ARG A 59 16.452 -10.596 19.315 1.00 0.00 H new ATOM 0 HE ARG A 59 18.285 -10.058 17.968 1.00 0.00 H new ATOM 0 HH11 ARG A 59 18.862 -9.097 21.316 1.00 0.00 H new ATOM 0 HH12 ARG A 59 20.569 -8.734 21.040 1.00 0.00 H new ATOM 0 HH21 ARG A 59 20.478 -9.589 17.621 1.00 0.00 H new ATOM 0 HH22 ARG A 59 21.480 -9.012 18.956 1.00 0.00 H new ATOM 889 N CYS A 60 14.180 -6.174 19.197 1.00 0.00 N ATOM 890 CA CYS A 60 13.464 -5.921 17.951 1.00 0.00 C ATOM 891 C CYS A 60 14.411 -5.399 16.876 1.00 0.00 C ATOM 892 O CYS A 60 15.125 -4.419 17.087 1.00 0.00 O ATOM 893 CB CYS A 60 12.333 -4.917 18.183 1.00 0.00 C ATOM 894 SG CYS A 60 12.899 -3.256 18.616 1.00 0.00 S ATOM 0 H CYS A 60 14.950 -5.530 19.379 1.00 0.00 H new ATOM 0 HA CYS A 60 13.038 -6.864 17.608 1.00 0.00 H new ATOM 0 HB2 CYS A 60 11.723 -4.858 17.281 1.00 0.00 H new ATOM 0 HB3 CYS A 60 11.689 -5.289 18.980 1.00 0.00 H new ATOM 0 HG CYS A 60 14.118 -3.089 18.195 1.00 0.00 H new ATOM 900 N GLU A 61 14.412 -6.062 15.723 1.00 0.00 N ATOM 901 CA GLU A 61 15.275 -5.665 14.616 1.00 0.00 C ATOM 902 C GLU A 61 15.296 -4.147 14.460 1.00 0.00 C ATOM 903 O GLU A 61 14.348 -3.460 14.840 1.00 0.00 O ATOM 904 CB GLU A 61 14.802 -6.317 13.315 1.00 0.00 C ATOM 905 CG GLU A 61 15.241 -7.764 13.164 1.00 0.00 C ATOM 906 CD GLU A 61 16.748 -7.924 13.200 1.00 0.00 C ATOM 907 OE1 GLU A 61 17.442 -7.181 12.474 1.00 0.00 O ATOM 908 OE2 GLU A 61 17.234 -8.792 13.955 1.00 0.00 O ATOM 0 H GLU A 61 13.826 -6.875 15.532 1.00 0.00 H new ATOM 0 HA GLU A 61 16.287 -6.003 14.837 1.00 0.00 H new ATOM 0 HB2 GLU A 61 13.714 -6.270 13.270 1.00 0.00 H new ATOM 0 HB3 GLU A 61 15.182 -5.741 12.471 1.00 0.00 H new ATOM 0 HG2 GLU A 61 14.797 -8.359 13.962 1.00 0.00 H new ATOM 0 HG3 GLU A 61 14.860 -8.159 12.222 1.00 0.00 H new ATOM 915 N ALA A 62 16.384 -3.632 13.898 1.00 0.00 N ATOM 916 CA ALA A 62 16.529 -2.196 13.690 1.00 0.00 C ATOM 917 C ALA A 62 16.028 -1.789 12.308 1.00 0.00 C ATOM 918 O ALA A 62 16.710 -1.072 11.577 1.00 0.00 O ATOM 919 CB ALA A 62 17.982 -1.781 13.869 1.00 0.00 C ATOM 0 H ALA A 62 17.178 -4.187 13.579 1.00 0.00 H new ATOM 0 HA ALA A 62 15.921 -1.682 14.435 1.00 0.00 H new ATOM 0 HB1 ALA A 62 18.076 -0.707 13.711 1.00 0.00 H new ATOM 0 HB2 ALA A 62 18.310 -2.029 14.879 1.00 0.00 H new ATOM 0 HB3 ALA A 62 18.603 -2.310 13.146 1.00 0.00 H new ATOM 925 N ALA A 63 14.832 -2.250 11.958 1.00 0.00 N ATOM 926 CA ALA A 63 14.239 -1.932 10.665 1.00 0.00 C ATOM 927 C ALA A 63 12.731 -2.163 10.681 1.00 0.00 C ATOM 928 O ALA A 63 12.234 -3.029 11.401 1.00 0.00 O ATOM 929 CB ALA A 63 14.890 -2.761 9.568 1.00 0.00 C ATOM 0 H ALA A 63 14.255 -2.845 12.552 1.00 0.00 H new ATOM 0 HA ALA A 63 14.416 -0.876 10.461 1.00 0.00 H new ATOM 0 HB1 ALA A 63 14.438 -2.513 8.608 1.00 0.00 H new ATOM 0 HB2 ALA A 63 15.958 -2.544 9.533 1.00 0.00 H new ATOM 0 HB3 ALA A 63 14.742 -3.821 9.776 1.00 0.00 H new ATOM 935 N ARG A 64 12.010 -1.383 9.883 1.00 0.00 N ATOM 936 CA ARG A 64 10.559 -1.502 9.807 1.00 0.00 C ATOM 937 C ARG A 64 10.101 -1.658 8.360 1.00 0.00 C ATOM 938 O ARG A 64 10.767 -1.197 7.433 1.00 0.00 O ATOM 939 CB ARG A 64 9.892 -0.276 10.434 1.00 0.00 C ATOM 940 CG ARG A 64 10.035 0.988 9.602 1.00 0.00 C ATOM 941 CD ARG A 64 9.602 2.220 10.381 1.00 0.00 C ATOM 942 NE ARG A 64 10.494 2.499 11.504 1.00 0.00 N ATOM 943 CZ ARG A 64 10.487 3.641 12.182 1.00 0.00 C ATOM 944 NH1 ARG A 64 9.638 4.605 11.854 1.00 0.00 N ATOM 945 NH2 ARG A 64 11.329 3.819 13.192 1.00 0.00 N ATOM 0 H ARG A 64 12.407 -0.662 9.280 1.00 0.00 H new ATOM 0 HA ARG A 64 10.263 -2.392 10.362 1.00 0.00 H new ATOM 0 HB2 ARG A 64 8.833 -0.485 10.582 1.00 0.00 H new ATOM 0 HB3 ARG A 64 10.323 -0.103 11.420 1.00 0.00 H new ATOM 0 HG2 ARG A 64 11.072 1.102 9.286 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.434 0.899 8.697 1.00 0.00 H new ATOM 0 HD2 ARG A 64 9.579 3.081 9.714 1.00 0.00 H new ATOM 0 HD3 ARG A 64 8.587 2.077 10.751 1.00 0.00 H new ATOM 0 HE ARG A 64 11.159 1.777 11.783 1.00 0.00 H new ATOM 0 HH11 ARG A 64 8.988 4.471 11.079 1.00 0.00 H new ATOM 0 HH12 ARG A 64 9.635 5.481 12.376 1.00 0.00 H new ATOM 0 HH21 ARG A 64 11.982 3.079 13.448 1.00 0.00 H new ATOM 0 HH22 ARG A 64 11.323 4.696 13.712 1.00 0.00 H new ATOM 959 N LYS A 65 8.959 -2.312 8.174 1.00 0.00 N ATOM 960 CA LYS A 65 8.411 -2.530 6.840 1.00 0.00 C ATOM 961 C LYS A 65 7.056 -1.845 6.691 1.00 0.00 C ATOM 962 O LYS A 65 6.079 -2.233 7.332 1.00 0.00 O ATOM 963 CB LYS A 65 8.270 -4.029 6.562 1.00 0.00 C ATOM 964 CG LYS A 65 9.585 -4.710 6.225 1.00 0.00 C ATOM 965 CD LYS A 65 9.359 -6.054 5.551 1.00 0.00 C ATOM 966 CE LYS A 65 8.961 -5.886 4.093 1.00 0.00 C ATOM 967 NZ LYS A 65 10.104 -5.426 3.255 1.00 0.00 N ATOM 0 H LYS A 65 8.395 -2.700 8.930 1.00 0.00 H new ATOM 0 HA LYS A 65 9.100 -2.096 6.116 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.833 -4.513 7.436 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.573 -4.173 5.736 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.172 -4.067 5.569 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.167 -4.852 7.136 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.268 -6.652 5.615 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.580 -6.602 6.081 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.586 -6.834 3.707 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.145 -5.167 4.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.876 -5.565 2.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.281 -4.417 3.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.954 -5.975 3.496 1.00 0.00 H new ATOM 981 N VAL A 66 7.004 -0.826 5.839 1.00 0.00 N ATOM 982 CA VAL A 66 5.768 -0.089 5.604 1.00 0.00 C ATOM 983 C VAL A 66 5.500 0.072 4.112 1.00 0.00 C ATOM 984 O VAL A 66 6.428 0.222 3.317 1.00 0.00 O ATOM 985 CB VAL A 66 5.811 1.304 6.260 1.00 0.00 C ATOM 986 CG1 VAL A 66 6.704 2.242 5.462 1.00 0.00 C ATOM 987 CG2 VAL A 66 4.407 1.874 6.392 1.00 0.00 C ATOM 0 H VAL A 66 7.803 -0.492 5.300 1.00 0.00 H new ATOM 0 HA VAL A 66 4.963 -0.669 6.055 1.00 0.00 H new ATOM 0 HB VAL A 66 6.232 1.203 7.260 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.722 3.221 5.940 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.715 1.837 5.425 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.315 2.340 4.449 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.456 2.858 6.857 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.956 1.962 5.404 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.802 1.211 7.010 1.00 0.00 H new ATOM 997 N ILE A 67 4.225 0.040 3.738 1.00 0.00 N ATOM 998 CA ILE A 67 3.835 0.184 2.341 1.00 0.00 C ATOM 999 C ILE A 67 2.839 1.325 2.164 1.00 0.00 C ATOM 1000 O ILE A 67 1.675 1.212 2.546 1.00 0.00 O ATOM 1001 CB ILE A 67 3.213 -1.114 1.794 1.00 0.00 C ATOM 1002 CG1 ILE A 67 4.189 -2.282 1.957 1.00 0.00 C ATOM 1003 CG2 ILE A 67 2.826 -0.941 0.333 1.00 0.00 C ATOM 1004 CD1 ILE A 67 3.512 -3.634 1.996 1.00 0.00 C ATOM 0 H ILE A 67 3.445 -0.084 4.383 1.00 0.00 H new ATOM 0 HA ILE A 67 4.743 0.407 1.781 1.00 0.00 H new ATOM 0 HB ILE A 67 2.311 -1.336 2.365 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.903 -2.266 1.134 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.759 -2.143 2.876 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.388 -1.867 -0.039 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.100 -0.133 0.242 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.713 -0.698 -0.252 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.264 -4.414 2.113 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.818 -3.669 2.836 1.00 0.00 H new ATOM 0 HD13 ILE A 67 2.965 -3.794 1.067 1.00 0.00 H new ATOM 1016 N ARG A 68 3.306 2.424 1.579 1.00 0.00 N ATOM 1017 CA ARG A 68 2.457 3.587 1.350 1.00 0.00 C ATOM 1018 C ARG A 68 1.249 3.217 0.494 1.00 0.00 C ATOM 1019 O ARG A 68 1.395 2.755 -0.639 1.00 0.00 O ATOM 1020 CB ARG A 68 3.254 4.702 0.672 1.00 0.00 C ATOM 1021 CG ARG A 68 4.343 5.294 1.551 1.00 0.00 C ATOM 1022 CD ARG A 68 5.428 5.962 0.721 1.00 0.00 C ATOM 1023 NE ARG A 68 4.923 7.125 -0.005 1.00 0.00 N ATOM 1024 CZ ARG A 68 5.703 7.982 -0.654 1.00 0.00 C ATOM 1025 NH1 ARG A 68 7.017 7.807 -0.668 1.00 0.00 N ATOM 1026 NH2 ARG A 68 5.169 9.015 -1.291 1.00 0.00 N ATOM 0 H ARG A 68 4.267 2.533 1.255 1.00 0.00 H new ATOM 0 HA ARG A 68 2.101 3.942 2.317 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.707 4.311 -0.239 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.570 5.496 0.372 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.905 6.023 2.233 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.784 4.508 2.164 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.246 6.269 1.373 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.838 5.242 0.013 1.00 0.00 H new ATOM 0 HE ARG A 68 3.916 7.288 -0.014 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.431 7.013 -0.180 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.614 8.466 -1.167 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.158 9.152 -1.283 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.769 9.673 -1.789 1.00 0.00 H new ATOM 1040 N LEU A 69 0.057 3.424 1.041 1.00 0.00 N ATOM 1041 CA LEU A 69 -1.177 3.112 0.328 1.00 0.00 C ATOM 1042 C LEU A 69 -1.308 3.963 -0.931 1.00 0.00 C ATOM 1043 O LEU A 69 -2.012 3.594 -1.871 1.00 0.00 O ATOM 1044 CB LEU A 69 -2.386 3.337 1.238 1.00 0.00 C ATOM 1045 CG LEU A 69 -2.660 2.246 2.273 1.00 0.00 C ATOM 1046 CD1 LEU A 69 -3.904 2.577 3.082 1.00 0.00 C ATOM 1047 CD2 LEU A 69 -2.809 0.892 1.594 1.00 0.00 C ATOM 0 H LEU A 69 -0.082 3.807 1.976 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.142 2.063 0.033 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.249 4.282 1.764 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.271 3.446 0.612 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.811 2.198 2.954 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.083 1.789 3.813 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.760 3.526 3.599 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.762 2.654 2.415 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.004 0.127 2.346 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.640 0.928 0.889 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.890 0.650 1.060 1.00 0.00 H new ATOM 1059 N SER A 70 -0.624 5.102 -0.943 1.00 0.00 N ATOM 1060 CA SER A 70 -0.665 6.007 -2.086 1.00 0.00 C ATOM 1061 C SER A 70 0.111 5.428 -3.265 1.00 0.00 C ATOM 1062 O SER A 70 -0.018 5.896 -4.397 1.00 0.00 O ATOM 1063 CB SER A 70 -0.090 7.372 -1.704 1.00 0.00 C ATOM 1064 OG SER A 70 -0.013 8.227 -2.831 1.00 0.00 O ATOM 0 H SER A 70 -0.034 5.421 -0.174 1.00 0.00 H new ATOM 0 HA SER A 70 -1.706 6.130 -2.383 1.00 0.00 H new ATOM 0 HB2 SER A 70 -0.714 7.831 -0.937 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.903 7.244 -1.272 1.00 0.00 H new ATOM 0 HG SER A 70 0.356 9.093 -2.560 1.00 0.00 H new ATOM 1070 N ASP A 71 0.915 4.407 -2.991 1.00 0.00 N ATOM 1071 CA ASP A 71 1.712 3.762 -4.029 1.00 0.00 C ATOM 1072 C ASP A 71 0.920 2.648 -4.708 1.00 0.00 C ATOM 1073 O ASP A 71 1.241 2.237 -5.824 1.00 0.00 O ATOM 1074 CB ASP A 71 3.002 3.197 -3.433 1.00 0.00 C ATOM 1075 CG ASP A 71 4.054 4.266 -3.210 1.00 0.00 C ATOM 1076 OD1 ASP A 71 3.729 5.295 -2.582 1.00 0.00 O ATOM 1077 OD2 ASP A 71 5.201 4.075 -3.665 1.00 0.00 O ATOM 0 H ASP A 71 1.033 4.008 -2.060 1.00 0.00 H new ATOM 0 HA ASP A 71 1.965 4.512 -4.778 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.777 2.709 -2.485 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.401 2.432 -4.098 1.00 0.00 H new ATOM 1082 N CYS A 72 -0.112 2.164 -4.027 1.00 0.00 N ATOM 1083 CA CYS A 72 -0.949 1.096 -4.564 1.00 0.00 C ATOM 1084 C CYS A 72 -1.509 1.479 -5.930 1.00 0.00 C ATOM 1085 O CYS A 72 -2.270 2.440 -6.054 1.00 0.00 O ATOM 1086 CB CYS A 72 -2.093 0.783 -3.600 1.00 0.00 C ATOM 1087 SG CYS A 72 -1.559 0.070 -2.026 1.00 0.00 S ATOM 0 H CYS A 72 -0.390 2.493 -3.102 1.00 0.00 H new ATOM 0 HA CYS A 72 -0.330 0.207 -4.682 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -2.648 1.700 -3.401 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.783 0.092 -4.084 1.00 0.00 H new ATOM 0 HG CYS A 72 -2.598 -0.158 -1.278 1.00 0.00 H new ATOM 1093 N LEU A 73 -1.127 0.723 -6.953 1.00 0.00 N ATOM 1094 CA LEU A 73 -1.589 0.984 -8.312 1.00 0.00 C ATOM 1095 C LEU A 73 -3.012 0.470 -8.511 1.00 0.00 C ATOM 1096 O LEU A 73 -3.869 1.177 -9.040 1.00 0.00 O ATOM 1097 CB LEU A 73 -0.651 0.327 -9.326 1.00 0.00 C ATOM 1098 CG LEU A 73 0.785 0.850 -9.348 1.00 0.00 C ATOM 1099 CD1 LEU A 73 1.712 -0.162 -10.005 1.00 0.00 C ATOM 1100 CD2 LEU A 73 0.855 2.187 -10.071 1.00 0.00 C ATOM 0 H LEU A 73 -0.498 -0.076 -6.868 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.586 2.063 -8.470 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.623 -0.744 -9.125 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.078 0.453 -10.321 1.00 0.00 H new ATOM 0 HG LEU A 73 1.113 0.998 -8.319 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.730 0.228 -10.012 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.685 -1.097 -9.445 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.386 -0.343 -11.029 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.885 2.544 -10.077 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.508 2.065 -11.097 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.223 2.912 -9.558 1.00 0.00 H new ATOM 1112 N ARG A 74 -3.255 -0.764 -8.081 1.00 0.00 N ATOM 1113 CA ARG A 74 -4.574 -1.372 -8.211 1.00 0.00 C ATOM 1114 C ARG A 74 -4.731 -2.542 -7.244 1.00 0.00 C ATOM 1115 O ARG A 74 -3.786 -3.294 -7.005 1.00 0.00 O ATOM 1116 CB ARG A 74 -4.800 -1.849 -9.647 1.00 0.00 C ATOM 1117 CG ARG A 74 -6.254 -2.156 -9.965 1.00 0.00 C ATOM 1118 CD ARG A 74 -7.092 -0.887 -10.022 1.00 0.00 C ATOM 1119 NE ARG A 74 -8.456 -1.152 -10.472 1.00 0.00 N ATOM 1120 CZ ARG A 74 -9.415 -0.234 -10.489 1.00 0.00 C ATOM 1121 NH1 ARG A 74 -9.161 1.003 -10.085 1.00 0.00 N ATOM 1122 NH2 ARG A 74 -10.632 -0.551 -10.912 1.00 0.00 N ATOM 0 H ARG A 74 -2.556 -1.362 -7.640 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.320 -0.617 -7.965 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.440 -1.085 -10.336 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.202 -2.743 -9.822 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.316 -2.678 -10.920 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.659 -2.827 -9.208 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.119 -0.426 -9.035 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.621 -0.171 -10.695 1.00 0.00 H new ATOM 0 HE ARG A 74 -8.684 -2.094 -10.791 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.227 1.252 -9.760 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -9.900 1.706 -10.099 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -10.832 -1.501 -11.225 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -11.368 0.155 -10.924 1.00 0.00 H new ATOM 1136 N VAL A 75 -5.930 -2.689 -6.691 1.00 0.00 N ATOM 1137 CA VAL A 75 -6.211 -3.768 -5.751 1.00 0.00 C ATOM 1138 C VAL A 75 -7.513 -4.479 -6.104 1.00 0.00 C ATOM 1139 O VAL A 75 -8.388 -3.908 -6.753 1.00 0.00 O ATOM 1140 CB VAL A 75 -6.302 -3.243 -4.305 1.00 0.00 C ATOM 1141 CG1 VAL A 75 -5.017 -2.528 -3.915 1.00 0.00 C ATOM 1142 CG2 VAL A 75 -7.503 -2.324 -4.147 1.00 0.00 C ATOM 0 H VAL A 75 -6.723 -2.075 -6.877 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.383 -4.474 -5.823 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.434 -4.093 -3.635 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.100 -2.164 -2.891 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.179 -3.221 -3.987 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.851 -1.686 -4.587 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.552 -1.963 -3.120 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.405 -1.477 -4.826 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.415 -2.873 -4.382 1.00 0.00 H new ATOM 1152 N ALA A 76 -7.633 -5.730 -5.671 1.00 0.00 N ATOM 1153 CA ALA A 76 -8.828 -6.520 -5.939 1.00 0.00 C ATOM 1154 C ALA A 76 -9.027 -7.594 -4.875 1.00 0.00 C ATOM 1155 O ALA A 76 -8.128 -7.866 -4.080 1.00 0.00 O ATOM 1156 CB ALA A 76 -8.744 -7.152 -7.321 1.00 0.00 C ATOM 0 H ALA A 76 -6.917 -6.218 -5.133 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.689 -5.852 -5.909 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.643 -7.739 -7.508 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.659 -6.369 -8.075 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.870 -7.801 -7.372 1.00 0.00 H new ATOM 1162 N GLU A 77 -10.210 -8.199 -4.866 1.00 0.00 N ATOM 1163 CA GLU A 77 -10.526 -9.243 -3.897 1.00 0.00 C ATOM 1164 C GLU A 77 -10.398 -10.627 -4.527 1.00 0.00 C ATOM 1165 O GLU A 77 -11.177 -10.995 -5.405 1.00 0.00 O ATOM 1166 CB GLU A 77 -11.942 -9.049 -3.349 1.00 0.00 C ATOM 1167 CG GLU A 77 -12.198 -7.654 -2.805 1.00 0.00 C ATOM 1168 CD GLU A 77 -12.709 -6.698 -3.865 1.00 0.00 C ATOM 1169 OE1 GLU A 77 -13.937 -6.657 -4.086 1.00 0.00 O ATOM 1170 OE2 GLU A 77 -11.879 -5.990 -4.474 1.00 0.00 O ATOM 0 H GLU A 77 -10.965 -7.985 -5.518 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.813 -9.169 -3.076 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.661 -9.259 -4.141 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.119 -9.777 -2.557 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.924 -7.712 -1.994 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -11.275 -7.259 -2.380 1.00 0.00 H new ATOM 1177 N ALA A 78 -9.408 -11.388 -4.072 1.00 0.00 N ATOM 1178 CA ALA A 78 -9.178 -12.731 -4.588 1.00 0.00 C ATOM 1179 C ALA A 78 -9.980 -13.765 -3.806 1.00 0.00 C ATOM 1180 O ALA A 78 -10.705 -13.426 -2.871 1.00 0.00 O ATOM 1181 CB ALA A 78 -7.695 -13.067 -4.544 1.00 0.00 C ATOM 0 H ALA A 78 -8.752 -11.097 -3.347 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.514 -12.757 -5.624 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.538 -14.073 -4.932 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.142 -12.352 -5.153 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.341 -13.016 -3.514 1.00 0.00 H new ATOM 1187 N GLY A 79 -9.845 -15.030 -4.194 1.00 0.00 N ATOM 1188 CA GLY A 79 -10.564 -16.094 -3.519 1.00 0.00 C ATOM 1189 C GLY A 79 -9.635 -17.109 -2.884 1.00 0.00 C ATOM 1190 O GLY A 79 -8.862 -16.778 -1.986 1.00 0.00 O ATOM 0 H GLY A 79 -9.250 -15.336 -4.964 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -11.207 -15.664 -2.751 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -11.215 -16.599 -4.233 1.00 0.00 H new ATOM 1194 N GLY A 80 -9.711 -18.352 -3.350 1.00 0.00 N ATOM 1195 CA GLY A 80 -8.866 -19.401 -2.809 1.00 0.00 C ATOM 1196 C GLY A 80 -7.916 -19.972 -3.844 1.00 0.00 C ATOM 1197 O GLY A 80 -7.931 -21.172 -4.113 1.00 0.00 O ATOM 0 H GLY A 80 -10.343 -18.651 -4.093 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.291 -19.005 -1.972 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.493 -20.201 -2.415 1.00 0.00 H new ATOM 1201 N GLU A 81 -7.090 -19.109 -4.426 1.00 0.00 N ATOM 1202 CA GLU A 81 -6.131 -19.535 -5.439 1.00 0.00 C ATOM 1203 C GLU A 81 -4.702 -19.424 -4.916 1.00 0.00 C ATOM 1204 O GLU A 81 -3.776 -19.122 -5.669 1.00 0.00 O ATOM 1205 CB GLU A 81 -6.288 -18.694 -6.708 1.00 0.00 C ATOM 1206 CG GLU A 81 -5.847 -19.412 -7.972 1.00 0.00 C ATOM 1207 CD GLU A 81 -6.100 -18.596 -9.225 1.00 0.00 C ATOM 1208 OE1 GLU A 81 -7.257 -18.576 -9.695 1.00 0.00 O ATOM 1209 OE2 GLU A 81 -5.143 -17.977 -9.735 1.00 0.00 O ATOM 0 H GLU A 81 -7.065 -18.112 -4.214 1.00 0.00 H new ATOM 0 HA GLU A 81 -6.333 -20.579 -5.677 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -7.333 -18.401 -6.812 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -5.709 -17.777 -6.600 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.784 -19.643 -7.902 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -6.376 -20.362 -8.049 1.00 0.00 H new ATOM 1216 N ALA A 82 -4.531 -19.669 -3.621 1.00 0.00 N ATOM 1217 CA ALA A 82 -3.216 -19.599 -2.997 1.00 0.00 C ATOM 1218 C ALA A 82 -3.148 -20.483 -1.757 1.00 0.00 C ATOM 1219 O ALA A 82 -4.164 -21.007 -1.300 1.00 0.00 O ATOM 1220 CB ALA A 82 -2.878 -18.159 -2.640 1.00 0.00 C ATOM 0 H ALA A 82 -5.287 -19.918 -2.984 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.481 -19.967 -3.713 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.893 -18.121 -2.175 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.876 -17.551 -3.545 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.623 -17.772 -1.945 1.00 0.00 H new ATOM 1226 N SER A 83 -1.945 -20.646 -1.217 1.00 0.00 N ATOM 1227 CA SER A 83 -1.744 -21.471 -0.031 1.00 0.00 C ATOM 1228 C SER A 83 -2.863 -21.248 0.982 1.00 0.00 C ATOM 1229 O SER A 83 -3.185 -22.133 1.774 1.00 0.00 O ATOM 1230 CB SER A 83 -0.390 -21.161 0.610 1.00 0.00 C ATOM 1231 OG SER A 83 0.638 -21.949 0.037 1.00 0.00 O ATOM 0 H SER A 83 -1.094 -20.218 -1.582 1.00 0.00 H new ATOM 0 HA SER A 83 -1.760 -22.516 -0.339 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.157 -20.104 0.481 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.441 -21.348 1.683 1.00 0.00 H new ATOM 0 HG SER A 83 1.493 -21.731 0.463 1.00 0.00 H new ATOM 1237 N SER A 84 -3.451 -20.056 0.951 1.00 0.00 N ATOM 1238 CA SER A 84 -4.532 -19.713 1.868 1.00 0.00 C ATOM 1239 C SER A 84 -5.621 -20.781 1.849 1.00 0.00 C ATOM 1240 O SER A 84 -5.868 -21.434 0.835 1.00 0.00 O ATOM 1241 CB SER A 84 -5.128 -18.353 1.501 1.00 0.00 C ATOM 1242 OG SER A 84 -5.334 -18.247 0.103 1.00 0.00 O ATOM 0 H SER A 84 -3.197 -19.312 0.301 1.00 0.00 H new ATOM 0 HA SER A 84 -4.118 -19.660 2.875 1.00 0.00 H new ATOM 0 HB2 SER A 84 -6.075 -18.215 2.023 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.461 -17.558 1.835 1.00 0.00 H new ATOM 0 HG SER A 84 -5.717 -17.369 -0.106 1.00 0.00 H new ATOM 1248 N PRO A 85 -6.289 -20.964 2.997 1.00 0.00 N ATOM 1249 CA PRO A 85 -7.363 -21.951 3.139 1.00 0.00 C ATOM 1250 C PRO A 85 -8.615 -21.562 2.360 1.00 0.00 C ATOM 1251 O PRO A 85 -8.615 -20.580 1.618 1.00 0.00 O ATOM 1252 CB PRO A 85 -7.649 -21.951 4.643 1.00 0.00 C ATOM 1253 CG PRO A 85 -7.216 -20.605 5.111 1.00 0.00 C ATOM 1254 CD PRO A 85 -6.047 -20.222 4.246 1.00 0.00 C ATOM 0 HA PRO A 85 -7.074 -22.926 2.746 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -8.707 -22.119 4.845 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -7.098 -22.743 5.151 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -8.025 -19.880 5.017 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -6.931 -20.630 6.163 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -6.010 -19.146 4.074 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -5.099 -20.504 4.704 1.00 0.00 H new ATOM 1262 N ARG A 86 -9.679 -22.339 2.533 1.00 0.00 N ATOM 1263 CA ARG A 86 -10.937 -22.075 1.845 1.00 0.00 C ATOM 1264 C ARG A 86 -11.905 -21.320 2.751 1.00 0.00 C ATOM 1265 O ARG A 86 -13.052 -21.070 2.380 1.00 0.00 O ATOM 1266 CB ARG A 86 -11.574 -23.387 1.380 1.00 0.00 C ATOM 1267 CG ARG A 86 -12.272 -24.152 2.493 1.00 0.00 C ATOM 1268 CD ARG A 86 -12.938 -25.414 1.968 1.00 0.00 C ATOM 1269 NE ARG A 86 -13.534 -26.205 3.041 1.00 0.00 N ATOM 1270 CZ ARG A 86 -13.801 -27.502 2.937 1.00 0.00 C ATOM 1271 NH1 ARG A 86 -13.524 -28.151 1.814 1.00 0.00 N ATOM 1272 NH2 ARG A 86 -14.344 -28.153 3.957 1.00 0.00 N ATOM 0 H ARG A 86 -9.695 -23.156 3.143 1.00 0.00 H new ATOM 0 HA ARG A 86 -10.723 -21.455 0.975 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -12.295 -23.172 0.591 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -10.803 -24.021 0.943 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -11.548 -24.415 3.265 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -13.020 -23.513 2.962 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -13.709 -25.144 1.246 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -12.202 -26.019 1.438 1.00 0.00 H new ATOM 0 HE ARG A 86 -13.758 -25.736 3.919 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -13.105 -27.654 1.028 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -13.730 -29.147 1.736 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -14.557 -27.658 4.823 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -14.548 -29.149 3.876 1.00 0.00 H new ATOM 1286 N ASP A 87 -11.435 -20.961 3.940 1.00 0.00 N ATOM 1287 CA ASP A 87 -12.258 -20.234 4.900 1.00 0.00 C ATOM 1288 C ASP A 87 -11.822 -18.775 4.995 1.00 0.00 C ATOM 1289 O ASP A 87 -12.201 -18.062 5.925 1.00 0.00 O ATOM 1290 CB ASP A 87 -12.178 -20.895 6.277 1.00 0.00 C ATOM 1291 CG ASP A 87 -13.147 -22.052 6.421 1.00 0.00 C ATOM 1292 OD1 ASP A 87 -14.361 -21.795 6.561 1.00 0.00 O ATOM 1293 OD2 ASP A 87 -12.691 -23.214 6.394 1.00 0.00 O ATOM 0 H ASP A 87 -10.488 -21.161 4.263 1.00 0.00 H new ATOM 0 HA ASP A 87 -13.290 -20.263 4.552 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -11.162 -21.252 6.447 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -12.387 -20.152 7.046 1.00 0.00 H new ATOM 1298 N THR A 88 -11.021 -18.338 4.028 1.00 0.00 N ATOM 1299 CA THR A 88 -10.531 -16.965 4.004 1.00 0.00 C ATOM 1300 C THR A 88 -10.604 -16.380 2.599 1.00 0.00 C ATOM 1301 O THR A 88 -10.938 -17.079 1.642 1.00 0.00 O ATOM 1302 CB THR A 88 -9.079 -16.879 4.510 1.00 0.00 C ATOM 1303 OG1 THR A 88 -8.240 -17.751 3.744 1.00 0.00 O ATOM 1304 CG2 THR A 88 -8.995 -17.252 5.983 1.00 0.00 C ATOM 0 H THR A 88 -10.698 -18.915 3.251 1.00 0.00 H new ATOM 0 HA THR A 88 -11.174 -16.387 4.668 1.00 0.00 H new ATOM 0 HB THR A 88 -8.738 -15.851 4.392 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.333 -17.382 3.705 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.960 -17.184 6.317 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.611 -16.568 6.567 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.354 -18.272 6.121 1.00 0.00 H new ATOM 1312 N SER A 89 -10.287 -15.095 2.481 1.00 0.00 N ATOM 1313 CA SER A 89 -10.319 -14.415 1.191 1.00 0.00 C ATOM 1314 C SER A 89 -9.135 -13.463 1.049 1.00 0.00 C ATOM 1315 O SER A 89 -9.101 -12.400 1.669 1.00 0.00 O ATOM 1316 CB SER A 89 -11.631 -13.643 1.030 1.00 0.00 C ATOM 1317 OG SER A 89 -12.743 -14.522 1.035 1.00 0.00 O ATOM 0 H SER A 89 -10.005 -14.504 3.263 1.00 0.00 H new ATOM 0 HA SER A 89 -10.251 -15.170 0.408 1.00 0.00 H new ATOM 0 HB2 SER A 89 -11.732 -12.919 1.838 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.613 -13.079 0.097 1.00 0.00 H new ATOM 0 HG SER A 89 -13.569 -14.005 0.932 1.00 0.00 H new ATOM 1323 N ALA A 90 -8.166 -13.852 0.228 1.00 0.00 N ATOM 1324 CA ALA A 90 -6.981 -13.034 0.002 1.00 0.00 C ATOM 1325 C ALA A 90 -7.270 -11.911 -0.988 1.00 0.00 C ATOM 1326 O ALA A 90 -8.180 -12.015 -1.811 1.00 0.00 O ATOM 1327 CB ALA A 90 -5.831 -13.897 -0.496 1.00 0.00 C ATOM 0 H ALA A 90 -8.178 -14.729 -0.292 1.00 0.00 H new ATOM 0 HA ALA A 90 -6.696 -12.581 0.952 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -4.953 -13.273 -0.661 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.600 -14.660 0.248 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.115 -14.377 -1.432 1.00 0.00 H new ATOM 1333 N PHE A 91 -6.490 -10.839 -0.904 1.00 0.00 N ATOM 1334 CA PHE A 91 -6.664 -9.695 -1.792 1.00 0.00 C ATOM 1335 C PHE A 91 -5.384 -9.415 -2.574 1.00 0.00 C ATOM 1336 O PHE A 91 -4.312 -9.917 -2.234 1.00 0.00 O ATOM 1337 CB PHE A 91 -7.067 -8.456 -0.990 1.00 0.00 C ATOM 1338 CG PHE A 91 -6.092 -8.102 0.096 1.00 0.00 C ATOM 1339 CD1 PHE A 91 -6.035 -8.844 1.264 1.00 0.00 C ATOM 1340 CD2 PHE A 91 -5.231 -7.026 -0.052 1.00 0.00 C ATOM 1341 CE1 PHE A 91 -5.139 -8.519 2.265 1.00 0.00 C ATOM 1342 CE2 PHE A 91 -4.332 -6.696 0.945 1.00 0.00 C ATOM 1343 CZ PHE A 91 -4.286 -7.445 2.105 1.00 0.00 C ATOM 0 H PHE A 91 -5.731 -10.738 -0.230 1.00 0.00 H new ATOM 0 HA PHE A 91 -7.457 -9.934 -2.500 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -7.165 -7.609 -1.669 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -8.048 -8.624 -0.546 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -6.698 -9.686 1.394 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.263 -6.438 -0.957 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -5.106 -9.105 3.172 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.667 -5.855 0.817 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.584 -7.191 2.885 1.00 0.00 H new ATOM 1353 N PHE A 92 -5.503 -8.609 -3.624 1.00 0.00 N ATOM 1354 CA PHE A 92 -4.357 -8.262 -4.456 1.00 0.00 C ATOM 1355 C PHE A 92 -3.785 -6.906 -4.055 1.00 0.00 C ATOM 1356 O PHE A 92 -4.460 -6.099 -3.415 1.00 0.00 O ATOM 1357 CB PHE A 92 -4.759 -8.242 -5.932 1.00 0.00 C ATOM 1358 CG PHE A 92 -4.771 -9.603 -6.569 1.00 0.00 C ATOM 1359 CD1 PHE A 92 -3.595 -10.179 -7.023 1.00 0.00 C ATOM 1360 CD2 PHE A 92 -5.956 -10.305 -6.712 1.00 0.00 C ATOM 1361 CE1 PHE A 92 -3.603 -11.430 -7.610 1.00 0.00 C ATOM 1362 CE2 PHE A 92 -5.970 -11.557 -7.298 1.00 0.00 C ATOM 1363 CZ PHE A 92 -4.792 -12.121 -7.747 1.00 0.00 C ATOM 0 H PHE A 92 -6.382 -8.184 -3.919 1.00 0.00 H new ATOM 0 HA PHE A 92 -3.588 -9.020 -4.306 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.750 -7.798 -6.024 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -4.069 -7.600 -6.479 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.663 -9.645 -6.917 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -6.880 -9.869 -6.362 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.680 -11.868 -7.962 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -6.901 -12.094 -7.405 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.800 -13.100 -8.204 1.00 0.00 H new ATOM 1373 N LEU A 93 -2.535 -6.663 -4.435 1.00 0.00 N ATOM 1374 CA LEU A 93 -1.870 -5.404 -4.115 1.00 0.00 C ATOM 1375 C LEU A 93 -0.632 -5.206 -4.985 1.00 0.00 C ATOM 1376 O LEU A 93 0.376 -5.890 -4.811 1.00 0.00 O ATOM 1377 CB LEU A 93 -1.478 -5.373 -2.636 1.00 0.00 C ATOM 1378 CG LEU A 93 -1.389 -3.988 -1.995 1.00 0.00 C ATOM 1379 CD1 LEU A 93 -0.793 -4.084 -0.598 1.00 0.00 C ATOM 1380 CD2 LEU A 93 -0.565 -3.049 -2.864 1.00 0.00 C ATOM 0 H LEU A 93 -1.962 -7.320 -4.964 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.568 -4.591 -4.317 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.202 -5.965 -2.076 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.512 -5.865 -2.526 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.397 -3.582 -1.912 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.737 -3.089 -0.157 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.422 -4.721 0.023 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.208 -4.511 -0.658 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.513 -2.068 -2.392 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.442 -3.450 -2.980 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.033 -2.955 -3.844 1.00 0.00 H new ATOM 1392 N GLU A 94 -0.717 -4.265 -5.919 1.00 0.00 N ATOM 1393 CA GLU A 94 0.397 -3.977 -6.815 1.00 0.00 C ATOM 1394 C GLU A 94 1.014 -2.618 -6.496 1.00 0.00 C ATOM 1395 O GLU A 94 0.305 -1.625 -6.326 1.00 0.00 O ATOM 1396 CB GLU A 94 -0.070 -4.008 -8.272 1.00 0.00 C ATOM 1397 CG GLU A 94 1.069 -3.965 -9.277 1.00 0.00 C ATOM 1398 CD GLU A 94 0.580 -3.920 -10.711 1.00 0.00 C ATOM 1399 OE1 GLU A 94 -0.599 -3.566 -10.925 1.00 0.00 O ATOM 1400 OE2 GLU A 94 1.375 -4.239 -11.620 1.00 0.00 O ATOM 0 H GLU A 94 -1.544 -3.689 -6.075 1.00 0.00 H new ATOM 0 HA GLU A 94 1.156 -4.745 -6.668 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -0.656 -4.912 -8.438 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -0.733 -3.161 -8.450 1.00 0.00 H new ATOM 0 HG2 GLU A 94 1.689 -3.090 -9.081 1.00 0.00 H new ATOM 0 HG3 GLU A 94 1.702 -4.841 -9.140 1.00 0.00 H new ATOM 1407 N THR A 95 2.341 -2.581 -6.415 1.00 0.00 N ATOM 1408 CA THR A 95 3.054 -1.346 -6.115 1.00 0.00 C ATOM 1409 C THR A 95 4.225 -1.142 -7.069 1.00 0.00 C ATOM 1410 O THR A 95 4.795 -2.104 -7.585 1.00 0.00 O ATOM 1411 CB THR A 95 3.579 -1.339 -4.667 1.00 0.00 C ATOM 1412 OG1 THR A 95 4.358 -2.515 -4.422 1.00 0.00 O ATOM 1413 CG2 THR A 95 2.428 -1.271 -3.674 1.00 0.00 C ATOM 0 H THR A 95 2.943 -3.393 -6.553 1.00 0.00 H new ATOM 0 HA THR A 95 2.341 -0.531 -6.240 1.00 0.00 H new ATOM 0 HB THR A 95 4.204 -0.456 -4.535 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.260 -3.135 -5.175 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.823 -1.267 -2.658 1.00 0.00 H new ATOM 0 HG22 THR A 95 1.855 -0.360 -3.844 1.00 0.00 H new ATOM 0 HG23 THR A 95 1.780 -2.137 -3.808 1.00 0.00 H new ATOM 1421 N LYS A 96 4.581 0.117 -7.300 1.00 0.00 N ATOM 1422 CA LYS A 96 5.687 0.449 -8.191 1.00 0.00 C ATOM 1423 C LYS A 96 6.855 -0.511 -7.990 1.00 0.00 C ATOM 1424 O LYS A 96 7.628 -0.763 -8.913 1.00 0.00 O ATOM 1425 CB LYS A 96 6.148 1.888 -7.951 1.00 0.00 C ATOM 1426 CG LYS A 96 5.403 2.914 -8.788 1.00 0.00 C ATOM 1427 CD LYS A 96 6.246 4.155 -9.028 1.00 0.00 C ATOM 1428 CE LYS A 96 5.696 4.988 -10.177 1.00 0.00 C ATOM 1429 NZ LYS A 96 6.636 6.073 -10.574 1.00 0.00 N ATOM 0 H LYS A 96 4.119 0.925 -6.882 1.00 0.00 H new ATOM 0 HA LYS A 96 5.334 0.354 -9.218 1.00 0.00 H new ATOM 0 HB2 LYS A 96 6.020 2.130 -6.896 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.214 1.960 -8.167 1.00 0.00 H new ATOM 0 HG2 LYS A 96 5.124 2.472 -9.744 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.478 3.193 -8.284 1.00 0.00 H new ATOM 0 HD2 LYS A 96 6.274 4.758 -8.121 1.00 0.00 H new ATOM 0 HD3 LYS A 96 7.273 3.862 -9.248 1.00 0.00 H new ATOM 0 HE2 LYS A 96 5.503 4.343 -11.034 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.741 5.424 -9.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 6.226 6.618 -11.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 6.800 6.704 -9.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 7.539 5.656 -10.877 1.00 0.00 H new ATOM 1443 N GLU A 97 6.975 -1.043 -6.777 1.00 0.00 N ATOM 1444 CA GLU A 97 8.050 -1.976 -6.457 1.00 0.00 C ATOM 1445 C GLU A 97 7.780 -3.347 -7.069 1.00 0.00 C ATOM 1446 O GLU A 97 8.445 -3.755 -8.022 1.00 0.00 O ATOM 1447 CB GLU A 97 8.208 -2.104 -4.940 1.00 0.00 C ATOM 1448 CG GLU A 97 8.554 -0.795 -4.251 1.00 0.00 C ATOM 1449 CD GLU A 97 10.035 -0.477 -4.313 1.00 0.00 C ATOM 1450 OE1 GLU A 97 10.562 -0.323 -5.435 1.00 0.00 O ATOM 1451 OE2 GLU A 97 10.668 -0.384 -3.241 1.00 0.00 O ATOM 0 H GLU A 97 6.343 -0.844 -6.002 1.00 0.00 H new ATOM 0 HA GLU A 97 8.975 -1.585 -6.880 1.00 0.00 H new ATOM 0 HB2 GLU A 97 7.281 -2.493 -4.518 1.00 0.00 H new ATOM 0 HB3 GLU A 97 8.987 -2.835 -4.725 1.00 0.00 H new ATOM 0 HG2 GLU A 97 7.992 0.015 -4.716 1.00 0.00 H new ATOM 0 HG3 GLU A 97 8.240 -0.843 -3.208 1.00 0.00 H new ATOM 1458 N ARG A 98 6.801 -4.054 -6.515 1.00 0.00 N ATOM 1459 CA ARG A 98 6.444 -5.380 -7.004 1.00 0.00 C ATOM 1460 C ARG A 98 5.022 -5.748 -6.591 1.00 0.00 C ATOM 1461 O ARG A 98 4.349 -4.986 -5.896 1.00 0.00 O ATOM 1462 CB ARG A 98 7.427 -6.425 -6.473 1.00 0.00 C ATOM 1463 CG ARG A 98 7.412 -6.561 -4.959 1.00 0.00 C ATOM 1464 CD ARG A 98 7.908 -7.929 -4.517 1.00 0.00 C ATOM 1465 NE ARG A 98 7.089 -9.010 -5.061 1.00 0.00 N ATOM 1466 CZ ARG A 98 7.463 -10.284 -5.064 1.00 0.00 C ATOM 1467 NH1 ARG A 98 8.635 -10.636 -4.554 1.00 0.00 N ATOM 1468 NH2 ARG A 98 6.663 -11.210 -5.577 1.00 0.00 N ATOM 0 H ARG A 98 6.240 -3.730 -5.727 1.00 0.00 H new ATOM 0 HA ARG A 98 6.495 -5.363 -8.093 1.00 0.00 H new ATOM 0 HB2 ARG A 98 7.192 -7.392 -6.919 1.00 0.00 H new ATOM 0 HB3 ARG A 98 8.434 -6.161 -6.796 1.00 0.00 H new ATOM 0 HG2 ARG A 98 8.038 -5.786 -4.517 1.00 0.00 H new ATOM 0 HG3 ARG A 98 6.399 -6.403 -4.589 1.00 0.00 H new ATOM 0 HD2 ARG A 98 8.942 -8.061 -4.837 1.00 0.00 H new ATOM 0 HD3 ARG A 98 7.902 -7.982 -3.428 1.00 0.00 H new ATOM 0 HE ARG A 98 6.181 -8.773 -5.460 1.00 0.00 H new ATOM 0 HH11 ARG A 98 9.252 -9.927 -4.158 1.00 0.00 H new ATOM 0 HH12 ARG A 98 8.919 -11.616 -4.558 1.00 0.00 H new ATOM 0 HH21 ARG A 98 5.760 -10.943 -5.969 1.00 0.00 H new ATOM 0 HH22 ARG A 98 6.951 -12.188 -5.579 1.00 0.00 H new ATOM 1482 N LEU A 99 4.570 -6.920 -7.025 1.00 0.00 N ATOM 1483 CA LEU A 99 3.227 -7.389 -6.701 1.00 0.00 C ATOM 1484 C LEU A 99 3.227 -8.184 -5.399 1.00 0.00 C ATOM 1485 O LEU A 99 3.983 -9.144 -5.246 1.00 0.00 O ATOM 1486 CB LEU A 99 2.678 -8.251 -7.838 1.00 0.00 C ATOM 1487 CG LEU A 99 1.232 -8.724 -7.685 1.00 0.00 C ATOM 1488 CD1 LEU A 99 0.271 -7.554 -7.819 1.00 0.00 C ATOM 1489 CD2 LEU A 99 0.912 -9.801 -8.712 1.00 0.00 C ATOM 0 H LEU A 99 5.113 -7.562 -7.602 1.00 0.00 H new ATOM 0 HA LEU A 99 2.586 -6.517 -6.573 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.758 -7.686 -8.767 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.317 -9.128 -7.943 1.00 0.00 H new ATOM 0 HG LEU A 99 1.113 -9.152 -6.690 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.753 -7.910 -7.707 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.485 -6.817 -7.045 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.391 -7.095 -8.801 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.121 -10.126 -8.589 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.048 -9.399 -9.716 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.579 -10.651 -8.568 1.00 0.00 H new ATOM 1501 N TYR A 100 2.374 -7.780 -4.465 1.00 0.00 N ATOM 1502 CA TYR A 100 2.275 -8.455 -3.176 1.00 0.00 C ATOM 1503 C TYR A 100 0.929 -9.158 -3.030 1.00 0.00 C ATOM 1504 O TYR A 100 -0.125 -8.556 -3.239 1.00 0.00 O ATOM 1505 CB TYR A 100 2.466 -7.452 -2.036 1.00 0.00 C ATOM 1506 CG TYR A 100 3.799 -6.740 -2.073 1.00 0.00 C ATOM 1507 CD1 TYR A 100 4.983 -7.428 -1.842 1.00 0.00 C ATOM 1508 CD2 TYR A 100 3.874 -5.378 -2.338 1.00 0.00 C ATOM 1509 CE1 TYR A 100 6.203 -6.781 -1.874 1.00 0.00 C ATOM 1510 CE2 TYR A 100 5.089 -4.723 -2.373 1.00 0.00 C ATOM 1511 CZ TYR A 100 6.251 -5.428 -2.140 1.00 0.00 C ATOM 1512 OH TYR A 100 7.465 -4.780 -2.174 1.00 0.00 O ATOM 0 H TYR A 100 1.741 -6.988 -4.576 1.00 0.00 H new ATOM 0 HA TYR A 100 3.063 -9.206 -3.127 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.667 -6.712 -2.077 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.369 -7.974 -1.084 1.00 0.00 H new ATOM 0 HD1 TYR A 100 4.949 -8.487 -1.634 1.00 0.00 H new ATOM 0 HD2 TYR A 100 2.966 -4.822 -2.520 1.00 0.00 H new ATOM 0 HE1 TYR A 100 7.114 -7.331 -1.692 1.00 0.00 H new ATOM 0 HE2 TYR A 100 5.129 -3.664 -2.582 1.00 0.00 H new ATOM 0 HH TYR A 100 7.324 -3.831 -2.375 1.00 0.00 H new ATOM 1522 N LEU A 101 0.973 -10.436 -2.670 1.00 0.00 N ATOM 1523 CA LEU A 101 -0.242 -11.223 -2.494 1.00 0.00 C ATOM 1524 C LEU A 101 -0.462 -11.566 -1.024 1.00 0.00 C ATOM 1525 O LEU A 101 0.079 -12.550 -0.517 1.00 0.00 O ATOM 1526 CB LEU A 101 -0.165 -12.507 -3.323 1.00 0.00 C ATOM 1527 CG LEU A 101 -1.324 -13.490 -3.147 1.00 0.00 C ATOM 1528 CD1 LEU A 101 -2.614 -12.895 -3.689 1.00 0.00 C ATOM 1529 CD2 LEU A 101 -1.012 -14.810 -3.836 1.00 0.00 C ATOM 0 H LEU A 101 1.837 -10.949 -2.494 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.086 -10.625 -2.838 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.104 -12.233 -4.376 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.763 -13.022 -3.074 1.00 0.00 H new ATOM 0 HG LEU A 101 -1.456 -13.681 -2.082 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.428 -13.608 -3.556 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.845 -11.976 -3.151 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.495 -12.674 -4.750 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.847 -15.497 -3.701 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.854 -14.636 -4.900 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.111 -15.243 -3.401 1.00 0.00 H new ATOM 1541 N LEU A 102 -1.260 -10.750 -0.345 1.00 0.00 N ATOM 1542 CA LEU A 102 -1.554 -10.967 1.067 1.00 0.00 C ATOM 1543 C LEU A 102 -2.897 -11.670 1.242 1.00 0.00 C ATOM 1544 O LEU A 102 -3.761 -11.603 0.369 1.00 0.00 O ATOM 1545 CB LEU A 102 -1.562 -9.634 1.818 1.00 0.00 C ATOM 1546 CG LEU A 102 -0.215 -8.917 1.925 1.00 0.00 C ATOM 1547 CD1 LEU A 102 -0.009 -7.987 0.740 1.00 0.00 C ATOM 1548 CD2 LEU A 102 -0.126 -8.144 3.233 1.00 0.00 C ATOM 0 H LEU A 102 -1.715 -9.932 -0.749 1.00 0.00 H new ATOM 0 HA LEU A 102 -0.773 -11.605 1.481 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.269 -8.966 1.325 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.939 -9.809 2.826 1.00 0.00 H new ATOM 0 HG LEU A 102 0.576 -9.667 1.913 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.954 -7.486 0.834 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -0.029 -8.565 -0.184 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.805 -7.242 0.719 1.00 0.00 H new ATOM 0 HD21 LEU A 102 0.839 -7.640 3.293 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.925 -7.404 3.273 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -0.228 -8.834 4.071 1.00 0.00 H new ATOM 1560 N ALA A 103 -3.064 -12.340 2.377 1.00 0.00 N ATOM 1561 CA ALA A 103 -4.303 -13.052 2.668 1.00 0.00 C ATOM 1562 C ALA A 103 -5.061 -12.388 3.813 1.00 0.00 C ATOM 1563 O ALA A 103 -4.456 -11.851 4.741 1.00 0.00 O ATOM 1564 CB ALA A 103 -4.010 -14.507 3.000 1.00 0.00 C ATOM 0 H ALA A 103 -2.358 -12.405 3.110 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.933 -13.014 1.779 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.944 -15.026 3.215 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.518 -14.982 2.151 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.358 -14.557 3.872 1.00 0.00 H new ATOM 1570 N ALA A 104 -6.387 -12.427 3.740 1.00 0.00 N ATOM 1571 CA ALA A 104 -7.227 -11.831 4.771 1.00 0.00 C ATOM 1572 C ALA A 104 -8.509 -12.632 4.966 1.00 0.00 C ATOM 1573 O ALA A 104 -8.995 -13.304 4.055 1.00 0.00 O ATOM 1574 CB ALA A 104 -7.553 -10.387 4.416 1.00 0.00 C ATOM 0 H ALA A 104 -6.903 -12.865 2.977 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.674 -11.847 5.710 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -8.181 -9.954 5.194 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -6.629 -9.815 4.335 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -8.083 -10.357 3.464 1.00 0.00 H new ATOM 1580 N PRO A 105 -9.072 -12.563 6.181 1.00 0.00 N ATOM 1581 CA PRO A 105 -10.306 -13.276 6.524 1.00 0.00 C ATOM 1582 C PRO A 105 -11.527 -12.696 5.818 1.00 0.00 C ATOM 1583 O PRO A 105 -11.895 -11.543 6.041 1.00 0.00 O ATOM 1584 CB PRO A 105 -10.421 -13.079 8.038 1.00 0.00 C ATOM 1585 CG PRO A 105 -9.671 -11.822 8.314 1.00 0.00 C ATOM 1586 CD PRO A 105 -8.548 -11.781 7.314 1.00 0.00 C ATOM 0 HA PRO A 105 -10.270 -14.321 6.217 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -11.462 -12.995 8.348 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -9.994 -13.922 8.581 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -10.318 -10.951 8.210 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -9.286 -11.813 9.334 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -8.308 -10.759 7.020 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.635 -12.219 7.717 1.00 0.00 H new ATOM 1594 N ALA A 106 -12.150 -13.503 4.965 1.00 0.00 N ATOM 1595 CA ALA A 106 -13.331 -13.070 4.228 1.00 0.00 C ATOM 1596 C ALA A 106 -14.210 -12.163 5.083 1.00 0.00 C ATOM 1597 O ALA A 106 -14.897 -11.283 4.566 1.00 0.00 O ATOM 1598 CB ALA A 106 -14.124 -14.276 3.747 1.00 0.00 C ATOM 0 H ALA A 106 -11.857 -14.460 4.767 1.00 0.00 H new ATOM 0 HA ALA A 106 -12.999 -12.498 3.362 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -15.003 -13.938 3.198 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -13.500 -14.885 3.093 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -14.438 -14.871 4.605 1.00 0.00 H new ATOM 1604 N ALA A 107 -14.182 -12.384 6.393 1.00 0.00 N ATOM 1605 CA ALA A 107 -14.975 -11.585 7.319 1.00 0.00 C ATOM 1606 C ALA A 107 -14.544 -10.122 7.291 1.00 0.00 C ATOM 1607 O ALA A 107 -15.378 -9.223 7.191 1.00 0.00 O ATOM 1608 CB ALA A 107 -14.861 -12.144 8.730 1.00 0.00 C ATOM 0 H ALA A 107 -13.619 -13.109 6.837 1.00 0.00 H new ATOM 0 HA ALA A 107 -16.017 -11.635 7.003 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -15.458 -11.538 9.411 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -15.225 -13.171 8.745 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.818 -12.124 9.046 1.00 0.00 H new ATOM 1614 N GLU A 108 -13.238 -9.893 7.380 1.00 0.00 N ATOM 1615 CA GLU A 108 -12.698 -8.539 7.366 1.00 0.00 C ATOM 1616 C GLU A 108 -12.498 -8.047 5.935 1.00 0.00 C ATOM 1617 O GLU A 108 -12.611 -6.854 5.656 1.00 0.00 O ATOM 1618 CB GLU A 108 -11.370 -8.487 8.124 1.00 0.00 C ATOM 1619 CG GLU A 108 -11.402 -9.216 9.457 1.00 0.00 C ATOM 1620 CD GLU A 108 -11.897 -8.338 10.590 1.00 0.00 C ATOM 1621 OE1 GLU A 108 -11.115 -7.491 11.069 1.00 0.00 O ATOM 1622 OE2 GLU A 108 -13.067 -8.498 10.998 1.00 0.00 O ATOM 0 H GLU A 108 -12.535 -10.627 7.463 1.00 0.00 H new ATOM 0 HA GLU A 108 -13.416 -7.885 7.860 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -10.588 -8.921 7.501 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -11.100 -7.445 8.295 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -12.046 -10.091 9.373 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -10.401 -9.578 9.693 1.00 0.00 H new ATOM 1629 N ARG A 109 -12.201 -8.977 5.032 1.00 0.00 N ATOM 1630 CA ARG A 109 -11.984 -8.639 3.631 1.00 0.00 C ATOM 1631 C ARG A 109 -12.890 -7.489 3.202 1.00 0.00 C ATOM 1632 O ARG A 109 -12.420 -6.388 2.917 1.00 0.00 O ATOM 1633 CB ARG A 109 -12.237 -9.860 2.745 1.00 0.00 C ATOM 1634 CG ARG A 109 -11.591 -9.761 1.373 1.00 0.00 C ATOM 1635 CD ARG A 109 -12.360 -10.565 0.336 1.00 0.00 C ATOM 1636 NE ARG A 109 -13.454 -9.796 -0.252 1.00 0.00 N ATOM 1637 CZ ARG A 109 -14.158 -10.204 -1.302 1.00 0.00 C ATOM 1638 NH1 ARG A 109 -13.884 -11.368 -1.876 1.00 0.00 N ATOM 1639 NH2 ARG A 109 -15.138 -9.448 -1.779 1.00 0.00 N ATOM 0 H ARG A 109 -12.105 -9.970 5.246 1.00 0.00 H new ATOM 0 HA ARG A 109 -10.947 -8.323 3.516 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -11.861 -10.749 3.251 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -13.312 -9.993 2.622 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -11.546 -8.716 1.065 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -10.564 -10.122 1.426 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -11.679 -10.886 -0.452 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -12.759 -11.467 0.800 1.00 0.00 H new ATOM 0 HE ARG A 109 -13.690 -8.896 0.167 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -13.131 -11.952 -1.511 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -14.426 -11.679 -2.682 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -15.351 -8.553 -1.340 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -15.678 -9.762 -2.585 1.00 0.00 H new ATOM 1653 N GLY A 110 -14.192 -7.753 3.158 1.00 0.00 N ATOM 1654 CA GLY A 110 -15.144 -6.731 2.763 1.00 0.00 C ATOM 1655 C GLY A 110 -14.762 -5.355 3.272 1.00 0.00 C ATOM 1656 O GLY A 110 -14.833 -4.371 2.535 1.00 0.00 O ATOM 0 H GLY A 110 -14.605 -8.657 3.389 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -15.215 -6.706 1.676 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -16.132 -6.994 3.141 1.00 0.00 H new ATOM 1660 N ASP A 111 -14.357 -5.285 4.535 1.00 0.00 N ATOM 1661 CA ASP A 111 -13.963 -4.019 5.143 1.00 0.00 C ATOM 1662 C ASP A 111 -12.584 -3.587 4.653 1.00 0.00 C ATOM 1663 O ASP A 111 -12.433 -2.520 4.058 1.00 0.00 O ATOM 1664 CB ASP A 111 -13.961 -4.140 6.668 1.00 0.00 C ATOM 1665 CG ASP A 111 -13.832 -2.795 7.354 1.00 0.00 C ATOM 1666 OD1 ASP A 111 -12.884 -2.051 7.028 1.00 0.00 O ATOM 1667 OD2 ASP A 111 -14.678 -2.486 8.219 1.00 0.00 O ATOM 0 H ASP A 111 -14.293 -6.090 5.158 1.00 0.00 H new ATOM 0 HA ASP A 111 -14.688 -3.261 4.847 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -14.882 -4.623 6.993 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -13.137 -4.783 6.978 1.00 0.00 H new ATOM 1672 N TRP A 112 -11.583 -4.422 4.907 1.00 0.00 N ATOM 1673 CA TRP A 112 -10.217 -4.125 4.492 1.00 0.00 C ATOM 1674 C TRP A 112 -10.190 -3.541 3.084 1.00 0.00 C ATOM 1675 O TRP A 112 -9.950 -2.348 2.901 1.00 0.00 O ATOM 1676 CB TRP A 112 -9.359 -5.390 4.550 1.00 0.00 C ATOM 1677 CG TRP A 112 -8.764 -5.643 5.902 1.00 0.00 C ATOM 1678 CD1 TRP A 112 -8.953 -6.743 6.688 1.00 0.00 C ATOM 1679 CD2 TRP A 112 -7.884 -4.776 6.627 1.00 0.00 C ATOM 1680 NE1 TRP A 112 -8.245 -6.613 7.858 1.00 0.00 N ATOM 1681 CE2 TRP A 112 -7.580 -5.415 7.845 1.00 0.00 C ATOM 1682 CE3 TRP A 112 -7.322 -3.524 6.365 1.00 0.00 C ATOM 1683 CZ2 TRP A 112 -6.740 -4.842 8.797 1.00 0.00 C ATOM 1684 CZ3 TRP A 112 -6.490 -2.956 7.311 1.00 0.00 C ATOM 1685 CH2 TRP A 112 -6.204 -3.616 8.514 1.00 0.00 C ATOM 0 H TRP A 112 -11.691 -5.309 5.398 1.00 0.00 H new ATOM 0 HA TRP A 112 -9.808 -3.385 5.179 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -9.968 -6.247 4.263 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -8.556 -5.310 3.817 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -9.569 -7.591 6.428 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -8.219 -7.297 8.614 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -7.534 -3.009 5.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -6.520 -5.348 9.725 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -6.053 -1.987 7.120 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -5.547 -3.147 9.232 1.00 0.00 H new ATOM 1696 N VAL A 113 -10.437 -4.390 2.091 1.00 0.00 N ATOM 1697 CA VAL A 113 -10.443 -3.957 0.699 1.00 0.00 C ATOM 1698 C VAL A 113 -11.160 -2.621 0.542 1.00 0.00 C ATOM 1699 O VAL A 113 -10.696 -1.739 -0.181 1.00 0.00 O ATOM 1700 CB VAL A 113 -11.119 -5.000 -0.210 1.00 0.00 C ATOM 1701 CG1 VAL A 113 -11.224 -4.479 -1.635 1.00 0.00 C ATOM 1702 CG2 VAL A 113 -10.356 -6.316 -0.170 1.00 0.00 C ATOM 0 H VAL A 113 -10.636 -5.381 2.225 1.00 0.00 H new ATOM 0 HA VAL A 113 -9.401 -3.844 0.398 1.00 0.00 H new ATOM 0 HB VAL A 113 -12.128 -5.180 0.161 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -11.704 -5.230 -2.262 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -11.817 -3.564 -1.645 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -10.226 -4.269 -2.020 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -10.848 -7.042 -0.818 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -9.335 -6.155 -0.515 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.338 -6.695 0.852 1.00 0.00 H new ATOM 1712 N GLN A 114 -12.292 -2.479 1.223 1.00 0.00 N ATOM 1713 CA GLN A 114 -13.073 -1.250 1.158 1.00 0.00 C ATOM 1714 C GLN A 114 -12.248 -0.055 1.623 1.00 0.00 C ATOM 1715 O GLN A 114 -12.049 0.903 0.876 1.00 0.00 O ATOM 1716 CB GLN A 114 -14.335 -1.377 2.014 1.00 0.00 C ATOM 1717 CG GLN A 114 -15.322 -0.238 1.815 1.00 0.00 C ATOM 1718 CD GLN A 114 -16.751 -0.644 2.116 1.00 0.00 C ATOM 1719 OE1 GLN A 114 -17.128 -1.804 1.945 1.00 0.00 O ATOM 1720 NE2 GLN A 114 -17.556 0.311 2.567 1.00 0.00 N ATOM 0 H GLN A 114 -12.689 -3.200 1.826 1.00 0.00 H new ATOM 0 HA GLN A 114 -13.361 -1.087 0.119 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -14.829 -2.320 1.780 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -14.049 -1.419 3.065 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -15.042 0.596 2.458 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -15.258 0.117 0.786 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -17.202 1.259 2.694 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -18.529 0.097 2.787 1.00 0.00 H new ATOM 1729 N ALA A 115 -11.769 -0.118 2.861 1.00 0.00 N ATOM 1730 CA ALA A 115 -10.964 0.957 3.425 1.00 0.00 C ATOM 1731 C ALA A 115 -9.780 1.288 2.522 1.00 0.00 C ATOM 1732 O ALA A 115 -9.540 2.451 2.198 1.00 0.00 O ATOM 1733 CB ALA A 115 -10.479 0.580 4.817 1.00 0.00 C ATOM 0 H ALA A 115 -11.925 -0.903 3.493 1.00 0.00 H new ATOM 0 HA ALA A 115 -11.591 1.846 3.499 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -9.879 1.393 5.226 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -11.337 0.401 5.465 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.873 -0.324 4.759 1.00 0.00 H new ATOM 1739 N ILE A 116 -9.043 0.258 2.120 1.00 0.00 N ATOM 1740 CA ILE A 116 -7.884 0.440 1.255 1.00 0.00 C ATOM 1741 C ILE A 116 -8.273 1.135 -0.046 1.00 0.00 C ATOM 1742 O ILE A 116 -7.797 2.232 -0.342 1.00 0.00 O ATOM 1743 CB ILE A 116 -7.213 -0.906 0.923 1.00 0.00 C ATOM 1744 CG1 ILE A 116 -6.621 -1.531 2.188 1.00 0.00 C ATOM 1745 CG2 ILE A 116 -6.135 -0.713 -0.134 1.00 0.00 C ATOM 1746 CD1 ILE A 116 -6.241 -2.986 2.022 1.00 0.00 C ATOM 0 H ILE A 116 -9.228 -0.711 2.379 1.00 0.00 H new ATOM 0 HA ILE A 116 -7.177 1.065 1.801 1.00 0.00 H new ATOM 0 HB ILE A 116 -7.968 -1.584 0.525 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -5.738 -0.965 2.484 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -7.343 -1.443 2.999 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -5.670 -1.673 -0.358 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -6.583 -0.306 -1.041 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -5.379 -0.022 0.239 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -5.828 -3.363 2.958 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -7.125 -3.565 1.756 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -5.495 -3.079 1.233 1.00 0.00 H new ATOM 1758 N CYS A 117 -9.143 0.492 -0.817 1.00 0.00 N ATOM 1759 CA CYS A 117 -9.598 1.049 -2.086 1.00 0.00 C ATOM 1760 C CYS A 117 -10.213 2.430 -1.884 1.00 0.00 C ATOM 1761 O CYS A 117 -10.389 3.188 -2.838 1.00 0.00 O ATOM 1762 CB CYS A 117 -10.616 0.114 -2.741 1.00 0.00 C ATOM 1763 SG CYS A 117 -11.025 0.549 -4.448 1.00 0.00 S ATOM 0 H CYS A 117 -9.547 -0.415 -0.586 1.00 0.00 H new ATOM 0 HA CYS A 117 -8.733 1.149 -2.742 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -10.225 -0.903 -2.720 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -11.530 0.116 -2.148 1.00 0.00 H new ATOM 0 HG CYS A 117 -10.959 1.839 -4.595 1.00 0.00 H new ATOM 1769 N LEU A 118 -10.540 2.749 -0.637 1.00 0.00 N ATOM 1770 CA LEU A 118 -11.137 4.039 -0.309 1.00 0.00 C ATOM 1771 C LEU A 118 -10.061 5.085 -0.038 1.00 0.00 C ATOM 1772 O LEU A 118 -10.150 6.220 -0.510 1.00 0.00 O ATOM 1773 CB LEU A 118 -12.052 3.905 0.910 1.00 0.00 C ATOM 1774 CG LEU A 118 -13.502 3.517 0.621 1.00 0.00 C ATOM 1775 CD1 LEU A 118 -14.275 3.335 1.919 1.00 0.00 C ATOM 1776 CD2 LEU A 118 -14.170 4.565 -0.257 1.00 0.00 C ATOM 0 H LEU A 118 -10.402 2.132 0.164 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.727 4.366 -1.165 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -11.624 3.160 1.580 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -12.051 4.854 1.446 1.00 0.00 H new ATOM 0 HG LEU A 118 -13.504 2.568 0.085 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -15.305 3.059 1.693 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -13.810 2.548 2.512 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -14.264 4.268 2.483 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -15.202 4.272 -0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -14.157 5.529 0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -13.631 4.646 -1.201 1.00 0.00 H new ATOM 1788 N LEU A 119 -9.044 4.697 0.722 1.00 0.00 N ATOM 1789 CA LEU A 119 -7.947 5.600 1.054 1.00 0.00 C ATOM 1790 C LEU A 119 -6.846 5.530 0.001 1.00 0.00 C ATOM 1791 O LEU A 119 -6.506 6.534 -0.624 1.00 0.00 O ATOM 1792 CB LEU A 119 -7.376 5.256 2.431 1.00 0.00 C ATOM 1793 CG LEU A 119 -8.117 5.845 3.631 1.00 0.00 C ATOM 1794 CD1 LEU A 119 -7.682 5.158 4.916 1.00 0.00 C ATOM 1795 CD2 LEU A 119 -7.880 7.346 3.721 1.00 0.00 C ATOM 0 H LEU A 119 -8.955 3.762 1.121 1.00 0.00 H new ATOM 0 HA LEU A 119 -8.339 6.617 1.074 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -7.361 4.171 2.535 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -6.340 5.594 2.467 1.00 0.00 H new ATOM 0 HG LEU A 119 -9.185 5.673 3.494 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -8.220 5.590 5.760 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -7.903 4.093 4.852 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -6.610 5.298 5.059 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.415 7.748 4.581 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -6.813 7.540 3.834 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -8.241 7.827 2.812 1.00 0.00 H new ATOM 1807 N ALA A 120 -6.293 4.336 -0.191 1.00 0.00 N ATOM 1808 CA ALA A 120 -5.234 4.134 -1.170 1.00 0.00 C ATOM 1809 C ALA A 120 -5.547 4.857 -2.476 1.00 0.00 C ATOM 1810 O ALA A 120 -4.643 5.306 -3.181 1.00 0.00 O ATOM 1811 CB ALA A 120 -5.027 2.648 -1.425 1.00 0.00 C ATOM 0 H ALA A 120 -6.562 3.495 0.319 1.00 0.00 H new ATOM 0 HA ALA A 120 -4.314 4.554 -0.764 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -4.233 2.512 -2.159 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.749 2.154 -0.494 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -5.951 2.212 -1.805 1.00 0.00 H new ATOM 1817 N PHE A 121 -6.833 4.968 -2.791 1.00 0.00 N ATOM 1818 CA PHE A 121 -7.266 5.636 -4.013 1.00 0.00 C ATOM 1819 C PHE A 121 -8.025 6.920 -3.692 1.00 0.00 C ATOM 1820 O PHE A 121 -9.048 7.219 -4.307 1.00 0.00 O ATOM 1821 CB PHE A 121 -8.149 4.703 -4.845 1.00 0.00 C ATOM 1822 CG PHE A 121 -7.525 3.361 -5.104 1.00 0.00 C ATOM 1823 CD1 PHE A 121 -7.297 2.475 -4.064 1.00 0.00 C ATOM 1824 CD2 PHE A 121 -7.167 2.986 -6.389 1.00 0.00 C ATOM 1825 CE1 PHE A 121 -6.723 1.240 -4.299 1.00 0.00 C ATOM 1826 CE2 PHE A 121 -6.594 1.752 -6.631 1.00 0.00 C ATOM 1827 CZ PHE A 121 -6.371 0.878 -5.585 1.00 0.00 C ATOM 0 H PHE A 121 -7.594 4.604 -2.217 1.00 0.00 H new ATOM 0 HA PHE A 121 -6.378 5.894 -4.590 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -9.099 4.560 -4.330 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -8.372 5.181 -5.799 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -7.571 2.753 -3.057 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -7.338 3.666 -7.211 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -6.550 0.559 -3.479 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -6.321 1.471 -7.637 1.00 0.00 H new ATOM 0 HZ PHE A 121 -5.922 -0.086 -5.772 1.00 0.00 H new ATOM 1837 N SER A 122 -7.516 7.674 -2.723 1.00 0.00 N ATOM 1838 CA SER A 122 -8.148 8.924 -2.315 1.00 0.00 C ATOM 1839 C SER A 122 -7.587 10.100 -3.109 1.00 0.00 C ATOM 1840 O SER A 122 -6.864 10.937 -2.572 1.00 0.00 O ATOM 1841 CB SER A 122 -7.941 9.160 -0.818 1.00 0.00 C ATOM 1842 OG SER A 122 -8.996 9.932 -0.273 1.00 0.00 O ATOM 0 H SER A 122 -6.668 7.442 -2.206 1.00 0.00 H new ATOM 0 HA SER A 122 -9.216 8.846 -2.519 1.00 0.00 H new ATOM 0 HB2 SER A 122 -7.882 8.203 -0.300 1.00 0.00 H new ATOM 0 HB3 SER A 122 -6.991 9.670 -0.655 1.00 0.00 H new ATOM 0 HG SER A 122 -8.841 10.068 0.685 1.00 0.00 H new ATOM 1848 N GLY A 123 -7.928 10.155 -4.393 1.00 0.00 N ATOM 1849 CA GLY A 123 -7.450 11.231 -5.242 1.00 0.00 C ATOM 1850 C GLY A 123 -8.537 11.785 -6.142 1.00 0.00 C ATOM 1851 O GLY A 123 -9.730 11.616 -5.887 1.00 0.00 O ATOM 0 H GLY A 123 -8.526 9.474 -4.860 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -7.054 12.033 -4.619 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -6.625 10.867 -5.855 1.00 0.00 H new ATOM 1855 N PRO A 124 -8.126 12.466 -7.222 1.00 0.00 N ATOM 1856 CA PRO A 124 -9.058 13.062 -8.183 1.00 0.00 C ATOM 1857 C PRO A 124 -9.794 12.010 -9.006 1.00 0.00 C ATOM 1858 O PRO A 124 -9.173 11.203 -9.698 1.00 0.00 O ATOM 1859 CB PRO A 124 -8.150 13.905 -9.082 1.00 0.00 C ATOM 1860 CG PRO A 124 -6.812 13.256 -8.984 1.00 0.00 C ATOM 1861 CD PRO A 124 -6.720 12.707 -7.587 1.00 0.00 C ATOM 0 HA PRO A 124 -9.842 13.635 -7.688 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -8.511 13.915 -10.111 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -8.113 14.941 -8.747 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -6.708 12.462 -9.723 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -6.015 13.975 -9.174 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -6.133 11.789 -7.554 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -6.244 13.414 -6.908 1.00 0.00 H new ATOM 1869 N SER A 125 -11.121 12.025 -8.926 1.00 0.00 N ATOM 1870 CA SER A 125 -11.941 11.069 -9.661 1.00 0.00 C ATOM 1871 C SER A 125 -12.173 11.540 -11.094 1.00 0.00 C ATOM 1872 O SER A 125 -12.080 10.758 -12.039 1.00 0.00 O ATOM 1873 CB SER A 125 -13.283 10.868 -8.955 1.00 0.00 C ATOM 1874 OG SER A 125 -13.850 9.612 -9.286 1.00 0.00 O ATOM 0 H SER A 125 -11.651 12.688 -8.360 1.00 0.00 H new ATOM 0 HA SER A 125 -11.408 10.119 -9.691 1.00 0.00 H new ATOM 0 HB2 SER A 125 -13.143 10.935 -7.876 1.00 0.00 H new ATOM 0 HB3 SER A 125 -13.969 11.666 -9.238 1.00 0.00 H new ATOM 0 HG SER A 125 -14.706 9.507 -8.821 1.00 0.00 H new ATOM 1880 N SER A 126 -12.474 12.826 -11.245 1.00 0.00 N ATOM 1881 CA SER A 126 -12.723 13.403 -12.561 1.00 0.00 C ATOM 1882 C SER A 126 -12.467 14.907 -12.553 1.00 0.00 C ATOM 1883 O SER A 126 -12.992 15.633 -11.710 1.00 0.00 O ATOM 1884 CB SER A 126 -14.161 13.121 -13.001 1.00 0.00 C ATOM 1885 OG SER A 126 -14.325 13.355 -14.389 1.00 0.00 O ATOM 0 H SER A 126 -12.551 13.488 -10.473 1.00 0.00 H new ATOM 0 HA SER A 126 -12.036 12.939 -13.269 1.00 0.00 H new ATOM 0 HB2 SER A 126 -14.419 12.087 -12.770 1.00 0.00 H new ATOM 0 HB3 SER A 126 -14.847 13.754 -12.439 1.00 0.00 H new ATOM 0 HG SER A 126 -15.252 13.166 -14.645 1.00 0.00 H new ATOM 1891 N GLY A 127 -11.653 15.368 -13.499 1.00 0.00 N ATOM 1892 CA GLY A 127 -11.341 16.782 -13.583 1.00 0.00 C ATOM 1893 C GLY A 127 -10.176 17.173 -12.694 1.00 0.00 C ATOM 1894 O GLY A 127 -9.063 17.382 -13.175 1.00 0.00 O ATOM 0 H GLY A 127 -11.205 14.787 -14.208 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -11.108 17.039 -14.616 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -12.220 17.362 -13.301 1.00 0.00 H new TER 1898 GLY A 127