USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 510 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 16 TYR OH : rot -158:sc= 0.95 USER MOD Set 1.2: A 42 MET CE :methyl -168:sc= -0.265 (180deg=-0.614) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -52:sc= 0.403 USER MOD Single : A 5 SER OG : rot -52:sc= 0.901 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl -111:sc= -3.83! (180deg=-4.57!) USER MOD Single : A 11 THR OG1 : rot 162:sc= -0.284 USER MOD Single : A 14 LYS NZ :NH3+ -166:sc= -0.112 (180deg=-0.414) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -159:sc= -0.0404 (180deg=-0.292) USER MOD Single : A 22 ASN : amide:sc= -0.966 X(o=-0.97,f=-0.69) USER MOD Single : A 25 CYS SG : rot 15:sc= 0.497 USER MOD Single : A 27 SER OG : rot 180:sc= -0.0812 USER MOD Single : A 28 GLN : amide:sc= -0.0584 K(o=-0.058,f=-2.3) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc= -4.85! C(o=-4.9!,f=-15!) USER MOD Single : A 39 GLN : amide:sc= -0.572 X(o=-0.57,f=-0.19) USER MOD Single : A 40 GLN : amide:sc= -0.63 K(o=-0.63,f=-4.1!) USER MOD Single : A 41 ASN : amide:sc= -0.613 X(o=-0.61,f=-0.89) USER MOD Single : A 43 CYS SG : rot 180:sc= -0.996 USER MOD Single : A 46 TYR OH : rot 180:sc= -0.501 USER MOD Single : A 47 GLN : amide:sc= -2.38! C(o=-2.4!,f=-2!) USER MOD Single : A 50 SER OG : rot 75:sc= 0.144 USER MOD Single : A 52 HIS :FLIP no HD1:sc= -0.453 F(o=-1.8,f=-0.45) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.622 7.883 -19.073 1.00 0.00 N ATOM 2 CA GLY A 1 12.521 6.589 -18.424 1.00 0.00 C ATOM 3 C GLY A 1 11.086 6.126 -18.273 1.00 0.00 C ATOM 4 O GLY A 1 10.543 5.465 -19.159 1.00 0.00 O ATOM 0 H1 GLY A 1 13.623 8.154 -19.152 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.202 7.829 -20.023 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.114 8.594 -18.510 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.078 5.852 -19.002 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.988 6.642 -17.440 1.00 0.00 H new ATOM 8 N SER A 2 10.469 6.472 -17.148 1.00 0.00 N ATOM 9 CA SER A 2 9.089 6.083 -16.882 1.00 0.00 C ATOM 10 C SER A 2 8.126 6.841 -17.790 1.00 0.00 C ATOM 11 O SER A 2 7.242 6.249 -18.408 1.00 0.00 O ATOM 12 CB SER A 2 8.737 6.342 -15.416 1.00 0.00 C ATOM 13 OG SER A 2 9.396 5.422 -14.562 1.00 0.00 O ATOM 0 H SER A 2 10.903 7.021 -16.406 1.00 0.00 H new ATOM 0 HA SER A 2 8.992 5.017 -17.088 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.019 7.360 -15.146 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.659 6.262 -15.278 1.00 0.00 H new ATOM 0 HG SER A 2 9.156 5.610 -13.631 1.00 0.00 H new ATOM 19 N SER A 3 8.304 8.157 -17.864 1.00 0.00 N ATOM 20 CA SER A 3 7.449 8.998 -18.692 1.00 0.00 C ATOM 21 C SER A 3 5.976 8.694 -18.438 1.00 0.00 C ATOM 22 O SER A 3 5.175 8.621 -19.369 1.00 0.00 O ATOM 23 CB SER A 3 7.776 8.793 -20.173 1.00 0.00 C ATOM 24 OG SER A 3 7.104 9.745 -20.980 1.00 0.00 O ATOM 0 H SER A 3 9.033 8.663 -17.360 1.00 0.00 H new ATOM 0 HA SER A 3 7.638 10.038 -18.426 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.852 8.877 -20.326 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.488 7.786 -20.476 1.00 0.00 H new ATOM 0 HG SER A 3 6.148 9.738 -20.767 1.00 0.00 H new ATOM 30 N GLY A 4 5.625 8.516 -17.167 1.00 0.00 N ATOM 31 CA GLY A 4 4.250 8.222 -16.812 1.00 0.00 C ATOM 32 C GLY A 4 3.888 8.724 -15.428 1.00 0.00 C ATOM 33 O GLY A 4 4.760 9.134 -14.661 1.00 0.00 O ATOM 0 H GLY A 4 6.269 8.570 -16.378 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.584 8.676 -17.545 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.088 7.145 -16.858 1.00 0.00 H new ATOM 37 N SER A 5 2.599 8.694 -15.107 1.00 0.00 N ATOM 38 CA SER A 5 2.123 9.155 -13.808 1.00 0.00 C ATOM 39 C SER A 5 1.557 7.995 -12.994 1.00 0.00 C ATOM 40 O SER A 5 0.518 8.126 -12.346 1.00 0.00 O ATOM 41 CB SER A 5 1.056 10.237 -13.986 1.00 0.00 C ATOM 42 OG SER A 5 0.598 10.712 -12.733 1.00 0.00 O ATOM 0 H SER A 5 1.865 8.355 -15.729 1.00 0.00 H new ATOM 0 HA SER A 5 2.970 9.577 -13.267 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.466 11.065 -14.564 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.217 9.835 -14.555 1.00 0.00 H new ATOM 0 HG SER A 5 0.329 9.953 -12.174 1.00 0.00 H new ATOM 48 N SER A 6 2.246 6.860 -13.034 1.00 0.00 N ATOM 49 CA SER A 6 1.811 5.675 -12.304 1.00 0.00 C ATOM 50 C SER A 6 2.853 5.262 -11.269 1.00 0.00 C ATOM 51 O SER A 6 4.017 5.038 -11.598 1.00 0.00 O ATOM 52 CB SER A 6 1.552 4.519 -13.273 1.00 0.00 C ATOM 53 OG SER A 6 1.285 3.317 -12.573 1.00 0.00 O ATOM 0 H SER A 6 3.108 6.735 -13.564 1.00 0.00 H new ATOM 0 HA SER A 6 0.884 5.919 -11.784 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.708 4.763 -13.918 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.418 4.382 -13.920 1.00 0.00 H new ATOM 0 HG SER A 6 1.121 2.594 -13.214 1.00 0.00 H new ATOM 59 N GLY A 7 2.424 5.162 -10.014 1.00 0.00 N ATOM 60 CA GLY A 7 3.331 4.776 -8.948 1.00 0.00 C ATOM 61 C GLY A 7 3.603 5.910 -7.980 1.00 0.00 C ATOM 62 O GLY A 7 4.716 6.431 -7.920 1.00 0.00 O ATOM 0 H GLY A 7 1.465 5.341 -9.717 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.909 3.931 -8.404 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.273 4.438 -9.381 1.00 0.00 H new ATOM 66 N SER A 8 2.582 6.295 -7.220 1.00 0.00 N ATOM 67 CA SER A 8 2.715 7.378 -6.253 1.00 0.00 C ATOM 68 C SER A 8 3.387 6.886 -4.974 1.00 0.00 C ATOM 69 O SER A 8 2.844 6.044 -4.257 1.00 0.00 O ATOM 70 CB SER A 8 1.342 7.969 -5.926 1.00 0.00 C ATOM 71 OG SER A 8 1.017 9.024 -6.815 1.00 0.00 O ATOM 0 H SER A 8 1.654 5.873 -7.256 1.00 0.00 H new ATOM 0 HA SER A 8 3.341 8.153 -6.696 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.583 7.190 -5.988 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.336 8.338 -4.900 1.00 0.00 H new ATOM 0 HG SER A 8 0.135 9.384 -6.587 1.00 0.00 H new ATOM 77 N THR A 9 4.573 7.416 -4.694 1.00 0.00 N ATOM 78 CA THR A 9 5.321 7.031 -3.504 1.00 0.00 C ATOM 79 C THR A 9 4.837 7.799 -2.279 1.00 0.00 C ATOM 80 O THR A 9 4.771 9.027 -2.291 1.00 0.00 O ATOM 81 CB THR A 9 6.831 7.276 -3.686 1.00 0.00 C ATOM 82 OG1 THR A 9 7.259 6.772 -4.956 1.00 0.00 O ATOM 83 CG2 THR A 9 7.625 6.606 -2.575 1.00 0.00 C ATOM 0 H THR A 9 5.037 8.114 -5.276 1.00 0.00 H new ATOM 0 HA THR A 9 5.149 5.965 -3.353 1.00 0.00 H new ATOM 0 HB THR A 9 7.011 8.350 -3.643 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.220 6.933 -5.065 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.688 6.793 -2.724 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.317 7.013 -1.612 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.439 5.532 -2.592 1.00 0.00 H new ATOM 91 N MET A 10 4.501 7.066 -1.222 1.00 0.00 N ATOM 92 CA MET A 10 4.025 7.679 0.012 1.00 0.00 C ATOM 93 C MET A 10 4.954 7.349 1.176 1.00 0.00 C ATOM 94 O MET A 10 5.535 6.264 1.233 1.00 0.00 O ATOM 95 CB MET A 10 2.605 7.207 0.327 1.00 0.00 C ATOM 96 CG MET A 10 1.609 7.492 -0.785 1.00 0.00 C ATOM 97 SD MET A 10 0.819 9.103 -0.613 1.00 0.00 S ATOM 98 CE MET A 10 -0.547 8.697 0.472 1.00 0.00 C ATOM 0 H MET A 10 4.550 6.048 -1.196 1.00 0.00 H new ATOM 0 HA MET A 10 4.017 8.760 -0.128 1.00 0.00 H new ATOM 0 HB2 MET A 10 2.622 6.135 0.522 1.00 0.00 H new ATOM 0 HB3 MET A 10 2.264 7.692 1.242 1.00 0.00 H new ATOM 0 HG2 MET A 10 2.120 7.443 -1.747 1.00 0.00 H new ATOM 0 HG3 MET A 10 0.844 6.715 -0.790 1.00 0.00 H new ATOM 0 HE1 MET A 10 -1.485 8.777 -0.078 1.00 0.00 H new ATOM 0 HE2 MET A 10 -0.429 7.678 0.840 1.00 0.00 H new ATOM 0 HE3 MET A 10 -0.560 9.388 1.315 1.00 0.00 H new ATOM 108 N THR A 11 5.090 8.290 2.105 1.00 0.00 N ATOM 109 CA THR A 11 5.948 8.099 3.267 1.00 0.00 C ATOM 110 C THR A 11 5.131 7.736 4.501 1.00 0.00 C ATOM 111 O THR A 11 4.180 8.433 4.856 1.00 0.00 O ATOM 112 CB THR A 11 6.776 9.363 3.568 1.00 0.00 C ATOM 113 OG1 THR A 11 7.422 9.821 2.375 1.00 0.00 O ATOM 114 CG2 THR A 11 7.818 9.085 4.640 1.00 0.00 C ATOM 0 H THR A 11 4.616 9.193 2.075 1.00 0.00 H new ATOM 0 HA THR A 11 6.624 7.278 3.028 1.00 0.00 H new ATOM 0 HB THR A 11 6.099 10.135 3.934 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.697 10.755 2.490 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.390 9.992 4.835 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.321 8.765 5.556 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.491 8.298 4.298 1.00 0.00 H new ATOM 122 N VAL A 12 5.507 6.640 5.153 1.00 0.00 N ATOM 123 CA VAL A 12 4.809 6.184 6.349 1.00 0.00 C ATOM 124 C VAL A 12 4.830 7.251 7.438 1.00 0.00 C ATOM 125 O VAL A 12 5.896 7.650 7.909 1.00 0.00 O ATOM 126 CB VAL A 12 5.431 4.889 6.903 1.00 0.00 C ATOM 127 CG1 VAL A 12 4.632 4.378 8.092 1.00 0.00 C ATOM 128 CG2 VAL A 12 5.516 3.831 5.813 1.00 0.00 C ATOM 0 H VAL A 12 6.291 6.051 4.873 1.00 0.00 H new ATOM 0 HA VAL A 12 3.778 5.987 6.057 1.00 0.00 H new ATOM 0 HB VAL A 12 6.443 5.109 7.244 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.087 3.462 8.470 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.628 5.132 8.879 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.608 4.173 7.781 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.958 2.922 6.222 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.516 3.612 5.440 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.135 4.200 4.995 1.00 0.00 H new ATOM 138 N ILE A 13 3.647 7.709 7.833 1.00 0.00 N ATOM 139 CA ILE A 13 3.531 8.729 8.868 1.00 0.00 C ATOM 140 C ILE A 13 3.404 8.098 10.250 1.00 0.00 C ATOM 141 O ILE A 13 3.769 8.705 11.257 1.00 0.00 O ATOM 142 CB ILE A 13 2.317 9.645 8.621 1.00 0.00 C ATOM 143 CG1 ILE A 13 1.023 8.829 8.638 1.00 0.00 C ATOM 144 CG2 ILE A 13 2.469 10.380 7.297 1.00 0.00 C ATOM 145 CD1 ILE A 13 -0.219 9.671 8.832 1.00 0.00 C ATOM 0 H ILE A 13 2.756 7.390 7.452 1.00 0.00 H new ATOM 0 HA ILE A 13 4.442 9.326 8.826 1.00 0.00 H new ATOM 0 HB ILE A 13 2.269 10.384 9.421 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.937 8.279 7.701 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.080 8.090 9.437 1.00 0.00 H new ATOM 0 HG21 ILE A 13 1.604 11.023 7.136 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.374 10.988 7.320 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.539 9.656 6.485 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.098 9.027 8.834 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.155 10.200 9.783 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.300 10.393 8.019 1.00 0.00 H new ATOM 157 N LYS A 14 2.886 6.875 10.291 1.00 0.00 N ATOM 158 CA LYS A 14 2.714 6.159 11.549 1.00 0.00 C ATOM 159 C LYS A 14 3.013 4.673 11.374 1.00 0.00 C ATOM 160 O LYS A 14 2.940 4.142 10.265 1.00 0.00 O ATOM 161 CB LYS A 14 1.289 6.345 12.075 1.00 0.00 C ATOM 162 CG LYS A 14 0.892 7.800 12.254 1.00 0.00 C ATOM 163 CD LYS A 14 -0.618 7.966 12.287 1.00 0.00 C ATOM 164 CE LYS A 14 -1.025 9.208 13.065 1.00 0.00 C ATOM 165 NZ LYS A 14 -0.690 10.458 12.327 1.00 0.00 N ATOM 0 H LYS A 14 2.578 6.359 9.467 1.00 0.00 H new ATOM 0 HA LYS A 14 3.418 6.571 12.272 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.591 5.869 11.386 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.194 5.831 13.031 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.321 8.184 13.179 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.307 8.394 11.440 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.000 8.032 11.268 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.072 7.086 12.742 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.097 9.178 13.262 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.523 9.212 14.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.759 11.271 12.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.279 10.392 11.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.356 10.585 11.538 1.00 0.00 H new ATOM 179 N ASP A 15 3.346 4.008 12.474 1.00 0.00 N ATOM 180 CA ASP A 15 3.653 2.582 12.443 1.00 0.00 C ATOM 181 C ASP A 15 2.376 1.754 12.340 1.00 0.00 C ATOM 182 O ASP A 15 1.348 2.105 12.919 1.00 0.00 O ATOM 183 CB ASP A 15 4.438 2.180 13.692 1.00 0.00 C ATOM 184 CG ASP A 15 3.532 1.769 14.837 1.00 0.00 C ATOM 185 OD1 ASP A 15 2.919 0.685 14.749 1.00 0.00 O ATOM 186 OD2 ASP A 15 3.439 2.532 15.821 1.00 0.00 O ATOM 0 H ASP A 15 3.410 4.433 13.399 1.00 0.00 H new ATOM 0 HA ASP A 15 4.264 2.386 11.562 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.107 1.355 13.447 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.064 3.014 14.009 1.00 0.00 H new ATOM 191 N TYR A 16 2.449 0.654 11.598 1.00 0.00 N ATOM 192 CA TYR A 16 1.298 -0.222 11.416 1.00 0.00 C ATOM 193 C TYR A 16 1.711 -1.688 11.499 1.00 0.00 C ATOM 194 O TYR A 16 2.741 -2.087 10.953 1.00 0.00 O ATOM 195 CB TYR A 16 0.627 0.055 10.070 1.00 0.00 C ATOM 196 CG TYR A 16 -0.473 -0.925 9.729 1.00 0.00 C ATOM 197 CD1 TYR A 16 -1.749 -0.780 10.259 1.00 0.00 C ATOM 198 CD2 TYR A 16 -0.236 -1.995 8.874 1.00 0.00 C ATOM 199 CE1 TYR A 16 -2.756 -1.673 9.951 1.00 0.00 C ATOM 200 CE2 TYR A 16 -1.238 -2.892 8.559 1.00 0.00 C ATOM 201 CZ TYR A 16 -2.496 -2.728 9.100 1.00 0.00 C ATOM 202 OH TYR A 16 -3.498 -3.619 8.789 1.00 0.00 O ATOM 0 H TYR A 16 3.293 0.348 11.113 1.00 0.00 H new ATOM 0 HA TYR A 16 0.588 -0.017 12.217 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.213 1.063 10.080 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.382 0.028 9.285 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -1.957 0.046 10.924 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.748 -2.127 8.449 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -3.742 -1.547 10.374 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -1.037 -3.718 7.892 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.103 -4.461 8.481 1.00 0.00 H new ATOM 212 N TYR A 17 0.901 -2.487 12.186 1.00 0.00 N ATOM 213 CA TYR A 17 1.182 -3.909 12.342 1.00 0.00 C ATOM 214 C TYR A 17 0.307 -4.743 11.412 1.00 0.00 C ATOM 215 O TYR A 17 -0.916 -4.608 11.405 1.00 0.00 O ATOM 216 CB TYR A 17 0.957 -4.338 13.793 1.00 0.00 C ATOM 217 CG TYR A 17 1.386 -3.299 14.805 1.00 0.00 C ATOM 218 CD1 TYR A 17 2.723 -2.952 14.950 1.00 0.00 C ATOM 219 CD2 TYR A 17 0.453 -2.664 15.616 1.00 0.00 C ATOM 220 CE1 TYR A 17 3.119 -2.005 15.874 1.00 0.00 C ATOM 221 CE2 TYR A 17 0.839 -1.714 16.541 1.00 0.00 C ATOM 222 CZ TYR A 17 2.174 -1.388 16.667 1.00 0.00 C ATOM 223 OH TYR A 17 2.564 -0.443 17.587 1.00 0.00 O ATOM 0 H TYR A 17 0.045 -2.174 12.643 1.00 0.00 H new ATOM 0 HA TYR A 17 2.226 -4.078 12.077 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.100 -4.559 13.938 1.00 0.00 H new ATOM 0 HB3 TYR A 17 1.504 -5.262 13.979 1.00 0.00 H new ATOM 0 HD1 TYR A 17 3.466 -3.431 14.329 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.592 -2.918 15.521 1.00 0.00 H new ATOM 0 HE1 TYR A 17 4.163 -1.749 15.975 1.00 0.00 H new ATOM 0 HE2 TYR A 17 0.100 -1.229 17.162 1.00 0.00 H new ATOM 0 HH TYR A 17 1.777 -0.105 18.063 1.00 0.00 H new ATOM 233 N ALA A 18 0.944 -5.606 10.628 1.00 0.00 N ATOM 234 CA ALA A 18 0.225 -6.465 9.695 1.00 0.00 C ATOM 235 C ALA A 18 -0.755 -7.374 10.429 1.00 0.00 C ATOM 236 O ALA A 18 -0.364 -8.391 11.003 1.00 0.00 O ATOM 237 CB ALA A 18 1.205 -7.293 8.877 1.00 0.00 C ATOM 0 H ALA A 18 1.957 -5.729 10.620 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.347 -5.828 9.020 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.654 -7.930 8.185 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.862 -6.629 8.315 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.802 -7.914 9.544 1.00 0.00 H new ATOM 243 N LEU A 19 -2.030 -7.001 10.408 1.00 0.00 N ATOM 244 CA LEU A 19 -3.067 -7.783 11.072 1.00 0.00 C ATOM 245 C LEU A 19 -3.414 -9.027 10.261 1.00 0.00 C ATOM 246 O LEU A 19 -3.615 -10.107 10.817 1.00 0.00 O ATOM 247 CB LEU A 19 -4.320 -6.931 11.282 1.00 0.00 C ATOM 248 CG LEU A 19 -4.117 -5.612 12.029 1.00 0.00 C ATOM 249 CD1 LEU A 19 -5.388 -4.778 11.994 1.00 0.00 C ATOM 250 CD2 LEU A 19 -3.687 -5.873 13.465 1.00 0.00 C ATOM 0 H LEU A 19 -2.370 -6.162 9.938 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.684 -8.100 12.042 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.753 -6.710 10.306 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.052 -7.526 11.828 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.326 -5.052 11.530 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.225 -3.843 12.530 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.652 -4.561 10.959 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.199 -5.331 12.467 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.547 -4.923 13.981 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.456 -6.454 13.975 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.750 -6.429 13.469 1.00 0.00 H new ATOM 262 N LYS A 20 -3.482 -8.869 8.944 1.00 0.00 N ATOM 263 CA LYS A 20 -3.801 -9.979 8.055 1.00 0.00 C ATOM 264 C LYS A 20 -2.533 -10.699 7.605 1.00 0.00 C ATOM 265 O LYS A 20 -1.422 -10.256 7.895 1.00 0.00 O ATOM 266 CB LYS A 20 -4.574 -9.476 6.834 1.00 0.00 C ATOM 267 CG LYS A 20 -6.033 -9.165 7.123 1.00 0.00 C ATOM 268 CD LYS A 20 -6.844 -10.434 7.326 1.00 0.00 C ATOM 269 CE LYS A 20 -8.113 -10.163 8.119 1.00 0.00 C ATOM 270 NZ LYS A 20 -7.818 -9.815 9.536 1.00 0.00 N ATOM 0 H LYS A 20 -3.320 -7.981 8.468 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.423 -10.685 8.606 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.089 -8.578 6.452 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.521 -10.227 6.046 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.103 -8.541 8.014 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.454 -8.591 6.298 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.103 -10.860 6.357 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.238 -11.175 7.848 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.666 -9.348 7.652 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.756 -11.043 8.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.663 -9.984 10.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.035 -10.405 9.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.549 -8.812 9.599 1.00 0.00 H new ATOM 284 N GLU A 21 -2.708 -11.809 6.895 1.00 0.00 N ATOM 285 CA GLU A 21 -1.577 -12.588 6.406 1.00 0.00 C ATOM 286 C GLU A 21 -0.922 -11.904 5.209 1.00 0.00 C ATOM 287 O GLU A 21 0.300 -11.905 5.073 1.00 0.00 O ATOM 288 CB GLU A 21 -2.029 -13.997 6.017 1.00 0.00 C ATOM 289 CG GLU A 21 -0.958 -15.057 6.216 1.00 0.00 C ATOM 290 CD GLU A 21 -1.084 -16.205 5.234 1.00 0.00 C ATOM 291 OE1 GLU A 21 -2.228 -16.581 4.903 1.00 0.00 O ATOM 292 OE2 GLU A 21 -0.038 -16.728 4.796 1.00 0.00 O ATOM 0 H GLU A 21 -3.621 -12.189 6.646 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.843 -12.658 7.209 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.906 -14.264 6.607 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.336 -13.995 4.971 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.025 -14.599 6.110 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.021 -15.445 7.233 1.00 0.00 H new ATOM 299 N ASN A 22 -1.746 -11.321 4.344 1.00 0.00 N ATOM 300 CA ASN A 22 -1.249 -10.635 3.158 1.00 0.00 C ATOM 301 C ASN A 22 -0.593 -9.309 3.532 1.00 0.00 C ATOM 302 O ASN A 22 0.445 -8.942 2.981 1.00 0.00 O ATOM 303 CB ASN A 22 -2.390 -10.390 2.168 1.00 0.00 C ATOM 304 CG ASN A 22 -3.552 -9.648 2.798 1.00 0.00 C ATOM 305 OD1 ASN A 22 -4.477 -10.259 3.334 1.00 0.00 O ATOM 306 ND2 ASN A 22 -3.510 -8.322 2.736 1.00 0.00 N ATOM 0 H ASN A 22 -2.761 -11.310 4.443 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.500 -11.272 2.688 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.015 -9.818 1.319 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.741 -11.346 1.778 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.264 -7.768 3.142 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -2.724 -7.857 2.282 1.00 0.00 H new ATOM 313 N GLU A 23 -1.205 -8.596 4.472 1.00 0.00 N ATOM 314 CA GLU A 23 -0.680 -7.311 4.919 1.00 0.00 C ATOM 315 C GLU A 23 0.764 -7.449 5.394 1.00 0.00 C ATOM 316 O GLU A 23 1.264 -8.559 5.578 1.00 0.00 O ATOM 317 CB GLU A 23 -1.547 -6.745 6.046 1.00 0.00 C ATOM 318 CG GLU A 23 -2.877 -6.186 5.568 1.00 0.00 C ATOM 319 CD GLU A 23 -3.938 -6.200 6.651 1.00 0.00 C ATOM 320 OE1 GLU A 23 -3.571 -6.148 7.843 1.00 0.00 O ATOM 321 OE2 GLU A 23 -5.137 -6.264 6.305 1.00 0.00 O ATOM 0 H GLU A 23 -2.064 -8.886 4.939 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.702 -6.624 4.073 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.735 -7.530 6.778 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.994 -5.957 6.558 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.733 -5.164 5.219 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.226 -6.768 4.715 1.00 0.00 H new ATOM 328 N ILE A 24 1.427 -6.314 5.590 1.00 0.00 N ATOM 329 CA ILE A 24 2.812 -6.308 6.043 1.00 0.00 C ATOM 330 C ILE A 24 3.050 -5.205 7.069 1.00 0.00 C ATOM 331 O ILE A 24 2.349 -4.192 7.080 1.00 0.00 O ATOM 332 CB ILE A 24 3.789 -6.119 4.867 1.00 0.00 C ATOM 333 CG1 ILE A 24 3.596 -4.739 4.233 1.00 0.00 C ATOM 334 CG2 ILE A 24 3.590 -7.216 3.832 1.00 0.00 C ATOM 335 CD1 ILE A 24 4.711 -4.348 3.289 1.00 0.00 C ATOM 0 H ILE A 24 1.027 -5.387 5.442 1.00 0.00 H new ATOM 0 HA ILE A 24 2.997 -7.278 6.505 1.00 0.00 H new ATOM 0 HB ILE A 24 4.809 -6.185 5.246 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.650 -4.726 3.691 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.521 -3.992 5.023 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.287 -7.069 3.007 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.772 -8.187 4.292 1.00 0.00 H new ATOM 0 HG23 ILE A 24 2.568 -7.179 3.454 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.509 -3.359 2.877 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.657 -4.329 3.831 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.772 -5.074 2.478 1.00 0.00 H new ATOM 347 N CYS A 25 4.042 -5.408 7.928 1.00 0.00 N ATOM 348 CA CYS A 25 4.374 -4.430 8.958 1.00 0.00 C ATOM 349 C CYS A 25 5.174 -3.272 8.371 1.00 0.00 C ATOM 350 O CYS A 25 5.910 -3.442 7.399 1.00 0.00 O ATOM 351 CB CYS A 25 5.166 -5.094 10.085 1.00 0.00 C ATOM 352 SG CYS A 25 5.192 -4.148 11.626 1.00 0.00 S ATOM 0 H CYS A 25 4.631 -6.241 7.932 1.00 0.00 H new ATOM 0 HA CYS A 25 3.442 -4.035 9.363 1.00 0.00 H new ATOM 0 HB2 CYS A 25 4.741 -6.078 10.282 1.00 0.00 H new ATOM 0 HB3 CYS A 25 6.191 -5.251 9.750 1.00 0.00 H new ATOM 0 HG CYS A 25 4.270 -3.233 11.589 1.00 0.00 H new ATOM 358 N VAL A 26 5.025 -2.093 8.968 1.00 0.00 N ATOM 359 CA VAL A 26 5.733 -0.906 8.504 1.00 0.00 C ATOM 360 C VAL A 26 6.177 -0.039 9.676 1.00 0.00 C ATOM 361 O VAL A 26 5.699 -0.201 10.798 1.00 0.00 O ATOM 362 CB VAL A 26 4.857 -0.063 7.559 1.00 0.00 C ATOM 363 CG1 VAL A 26 4.573 -0.824 6.272 1.00 0.00 C ATOM 364 CG2 VAL A 26 3.561 0.336 8.248 1.00 0.00 C ATOM 0 H VAL A 26 4.420 -1.935 9.774 1.00 0.00 H new ATOM 0 HA VAL A 26 6.611 -1.254 7.959 1.00 0.00 H new ATOM 0 HB VAL A 26 5.401 0.846 7.303 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.953 -0.212 5.617 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.513 -1.054 5.771 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.050 -1.751 6.505 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.954 0.931 7.565 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.011 -0.560 8.535 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.788 0.923 9.138 1.00 0.00 H new ATOM 374 N SER A 27 7.096 0.884 9.407 1.00 0.00 N ATOM 375 CA SER A 27 7.608 1.776 10.441 1.00 0.00 C ATOM 376 C SER A 27 7.461 3.235 10.020 1.00 0.00 C ATOM 377 O SER A 27 7.668 3.580 8.857 1.00 0.00 O ATOM 378 CB SER A 27 9.077 1.463 10.733 1.00 0.00 C ATOM 379 OG SER A 27 9.787 1.190 9.537 1.00 0.00 O ATOM 0 H SER A 27 7.501 1.033 8.483 1.00 0.00 H new ATOM 0 HA SER A 27 7.023 1.616 11.347 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.537 2.307 11.248 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.143 0.606 11.403 1.00 0.00 H new ATOM 0 HG SER A 27 10.723 0.995 9.750 1.00 0.00 H new ATOM 385 N GLN A 28 7.102 4.087 10.976 1.00 0.00 N ATOM 386 CA GLN A 28 6.927 5.508 10.705 1.00 0.00 C ATOM 387 C GLN A 28 8.184 6.103 10.079 1.00 0.00 C ATOM 388 O GLN A 28 9.232 6.178 10.719 1.00 0.00 O ATOM 389 CB GLN A 28 6.582 6.256 11.994 1.00 0.00 C ATOM 390 CG GLN A 28 6.755 7.763 11.888 1.00 0.00 C ATOM 391 CD GLN A 28 6.178 8.501 13.080 1.00 0.00 C ATOM 392 OE1 GLN A 28 5.156 8.101 13.637 1.00 0.00 O ATOM 393 NE2 GLN A 28 6.831 9.587 13.477 1.00 0.00 N ATOM 0 H GLN A 28 6.927 3.817 11.944 1.00 0.00 H new ATOM 0 HA GLN A 28 6.105 5.618 9.998 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.550 6.035 12.267 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.212 5.882 12.801 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.816 7.998 11.798 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.272 8.117 10.977 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.675 9.883 12.986 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.489 10.125 14.273 1.00 0.00 H new ATOM 402 N GLY A 29 8.072 6.523 8.822 1.00 0.00 N ATOM 403 CA GLY A 29 9.207 7.105 8.131 1.00 0.00 C ATOM 404 C GLY A 29 9.526 6.387 6.834 1.00 0.00 C ATOM 405 O GLY A 29 9.905 7.016 5.847 1.00 0.00 O ATOM 0 H GLY A 29 7.215 6.470 8.271 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.001 8.155 7.921 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.080 7.076 8.783 1.00 0.00 H new ATOM 409 N GLU A 30 9.374 5.066 6.838 1.00 0.00 N ATOM 410 CA GLU A 30 9.651 4.263 5.653 1.00 0.00 C ATOM 411 C GLU A 30 8.937 4.832 4.430 1.00 0.00 C ATOM 412 O GLU A 30 8.177 5.795 4.534 1.00 0.00 O ATOM 413 CB GLU A 30 9.220 2.813 5.881 1.00 0.00 C ATOM 414 CG GLU A 30 10.309 1.941 6.484 1.00 0.00 C ATOM 415 CD GLU A 30 11.561 1.897 5.629 1.00 0.00 C ATOM 416 OE1 GLU A 30 11.432 1.873 4.388 1.00 0.00 O ATOM 417 OE2 GLU A 30 12.670 1.888 6.204 1.00 0.00 O ATOM 0 H GLU A 30 9.061 4.530 7.648 1.00 0.00 H new ATOM 0 HA GLU A 30 10.725 4.291 5.470 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.351 2.800 6.539 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.907 2.382 4.930 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.563 2.317 7.475 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.927 0.928 6.615 1.00 0.00 H new ATOM 424 N VAL A 31 9.186 4.228 3.272 1.00 0.00 N ATOM 425 CA VAL A 31 8.567 4.673 2.030 1.00 0.00 C ATOM 426 C VAL A 31 8.198 3.488 1.145 1.00 0.00 C ATOM 427 O VAL A 31 9.009 2.589 0.922 1.00 0.00 O ATOM 428 CB VAL A 31 9.499 5.616 1.245 1.00 0.00 C ATOM 429 CG1 VAL A 31 8.862 6.017 -0.077 1.00 0.00 C ATOM 430 CG2 VAL A 31 9.839 6.843 2.077 1.00 0.00 C ATOM 0 H VAL A 31 9.812 3.429 3.169 1.00 0.00 H new ATOM 0 HA VAL A 31 7.661 5.214 2.303 1.00 0.00 H new ATOM 0 HB VAL A 31 10.426 5.085 1.028 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.534 6.683 -0.618 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.675 5.126 -0.676 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.919 6.530 0.114 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.498 7.498 1.507 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.923 7.378 2.327 1.00 0.00 H new ATOM 0 HG23 VAL A 31 10.340 6.533 2.994 1.00 0.00 H new ATOM 440 N VAL A 32 6.968 3.493 0.641 1.00 0.00 N ATOM 441 CA VAL A 32 6.491 2.419 -0.222 1.00 0.00 C ATOM 442 C VAL A 32 5.896 2.974 -1.512 1.00 0.00 C ATOM 443 O VAL A 32 5.925 4.181 -1.751 1.00 0.00 O ATOM 444 CB VAL A 32 5.432 1.556 0.489 1.00 0.00 C ATOM 445 CG1 VAL A 32 6.005 0.945 1.758 1.00 0.00 C ATOM 446 CG2 VAL A 32 4.192 2.382 0.798 1.00 0.00 C ATOM 0 H VAL A 32 6.284 4.229 0.816 1.00 0.00 H new ATOM 0 HA VAL A 32 7.354 1.798 -0.461 1.00 0.00 H new ATOM 0 HB VAL A 32 5.143 0.744 -0.178 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.242 0.339 2.247 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.860 0.318 1.506 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.324 1.740 2.433 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.454 1.757 1.300 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.462 3.216 1.446 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.770 2.766 -0.131 1.00 0.00 H new ATOM 456 N GLN A 33 5.357 2.084 -2.339 1.00 0.00 N ATOM 457 CA GLN A 33 4.756 2.485 -3.605 1.00 0.00 C ATOM 458 C GLN A 33 3.372 1.866 -3.771 1.00 0.00 C ATOM 459 O GLN A 33 3.226 0.643 -3.798 1.00 0.00 O ATOM 460 CB GLN A 33 5.654 2.075 -4.773 1.00 0.00 C ATOM 461 CG GLN A 33 6.679 3.131 -5.153 1.00 0.00 C ATOM 462 CD GLN A 33 7.870 2.551 -5.890 1.00 0.00 C ATOM 463 OE1 GLN A 33 7.822 2.340 -7.102 1.00 0.00 O ATOM 464 NE2 GLN A 33 8.948 2.289 -5.160 1.00 0.00 N ATOM 0 H GLN A 33 5.324 1.081 -2.155 1.00 0.00 H new ATOM 0 HA GLN A 33 4.651 3.570 -3.600 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.174 1.153 -4.514 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.031 1.857 -5.640 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.202 3.886 -5.778 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.026 3.636 -4.252 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.944 2.480 -4.158 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.780 1.897 -5.601 1.00 0.00 H new ATOM 473 N VAL A 34 2.357 2.717 -3.880 1.00 0.00 N ATOM 474 CA VAL A 34 0.984 2.254 -4.044 1.00 0.00 C ATOM 475 C VAL A 34 0.802 1.535 -5.376 1.00 0.00 C ATOM 476 O VAL A 34 1.377 1.929 -6.391 1.00 0.00 O ATOM 477 CB VAL A 34 -0.016 3.422 -3.963 1.00 0.00 C ATOM 478 CG1 VAL A 34 -1.436 2.926 -4.187 1.00 0.00 C ATOM 479 CG2 VAL A 34 0.104 4.134 -2.624 1.00 0.00 C ATOM 0 H VAL A 34 2.460 3.732 -3.858 1.00 0.00 H new ATOM 0 HA VAL A 34 0.785 1.558 -3.229 1.00 0.00 H new ATOM 0 HB VAL A 34 0.222 4.136 -4.751 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.129 3.766 -4.126 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.509 2.466 -5.172 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.689 2.191 -3.423 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.610 4.957 -2.584 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.107 3.431 -1.818 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.115 4.525 -2.509 1.00 0.00 H new ATOM 489 N LEU A 35 -0.002 0.478 -5.365 1.00 0.00 N ATOM 490 CA LEU A 35 -0.262 -0.298 -6.573 1.00 0.00 C ATOM 491 C LEU A 35 -1.753 -0.320 -6.896 1.00 0.00 C ATOM 492 O LEU A 35 -2.148 -0.222 -8.058 1.00 0.00 O ATOM 493 CB LEU A 35 0.256 -1.728 -6.406 1.00 0.00 C ATOM 494 CG LEU A 35 1.748 -1.869 -6.102 1.00 0.00 C ATOM 495 CD1 LEU A 35 2.105 -3.325 -5.847 1.00 0.00 C ATOM 496 CD2 LEU A 35 2.581 -1.306 -7.245 1.00 0.00 C ATOM 0 H LEU A 35 -0.485 0.138 -4.533 1.00 0.00 H new ATOM 0 HA LEU A 35 0.264 0.178 -7.401 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.305 -2.205 -5.602 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.038 -2.281 -7.319 1.00 0.00 H new ATOM 0 HG LEU A 35 1.971 -1.298 -5.201 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.171 -3.406 -5.632 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.534 -3.696 -4.996 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.867 -3.918 -6.730 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.640 -1.415 -7.011 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.354 -1.849 -8.162 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.346 -0.250 -7.381 1.00 0.00 H new ATOM 508 N ALA A 36 -2.576 -0.448 -5.861 1.00 0.00 N ATOM 509 CA ALA A 36 -4.022 -0.478 -6.034 1.00 0.00 C ATOM 510 C ALA A 36 -4.738 -0.398 -4.689 1.00 0.00 C ATOM 511 O ALA A 36 -4.102 -0.392 -3.635 1.00 0.00 O ATOM 512 CB ALA A 36 -4.438 -1.736 -6.781 1.00 0.00 C ATOM 0 H ALA A 36 -2.265 -0.533 -4.893 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.311 0.393 -6.622 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.521 -1.745 -6.903 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.962 -1.751 -7.761 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.129 -2.614 -6.214 1.00 0.00 H new ATOM 518 N VAL A 37 -6.065 -0.335 -4.733 1.00 0.00 N ATOM 519 CA VAL A 37 -6.867 -0.256 -3.519 1.00 0.00 C ATOM 520 C VAL A 37 -7.973 -1.306 -3.520 1.00 0.00 C ATOM 521 O VAL A 37 -8.550 -1.612 -4.562 1.00 0.00 O ATOM 522 CB VAL A 37 -7.500 1.139 -3.354 1.00 0.00 C ATOM 523 CG1 VAL A 37 -8.424 1.167 -2.146 1.00 0.00 C ATOM 524 CG2 VAL A 37 -6.419 2.203 -3.234 1.00 0.00 C ATOM 0 H VAL A 37 -6.607 -0.337 -5.597 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.193 -0.443 -2.683 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.095 1.356 -4.241 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -8.862 2.160 -2.046 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -9.218 0.432 -2.278 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -7.855 0.929 -1.247 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -6.884 3.182 -3.118 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.796 1.992 -2.365 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.802 2.198 -4.133 1.00 0.00 H new ATOM 534 N ASN A 38 -8.262 -1.854 -2.345 1.00 0.00 N ATOM 535 CA ASN A 38 -9.299 -2.871 -2.210 1.00 0.00 C ATOM 536 C ASN A 38 -10.530 -2.304 -1.511 1.00 0.00 C ATOM 537 O ASN A 38 -10.562 -1.129 -1.146 1.00 0.00 O ATOM 538 CB ASN A 38 -8.765 -4.074 -1.430 1.00 0.00 C ATOM 539 CG ASN A 38 -8.437 -3.730 0.010 1.00 0.00 C ATOM 540 OD1 ASN A 38 -8.781 -2.653 0.496 1.00 0.00 O ATOM 541 ND2 ASN A 38 -7.768 -4.647 0.699 1.00 0.00 N ATOM 0 H ASN A 38 -7.793 -1.611 -1.472 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.588 -3.194 -3.210 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -9.505 -4.874 -1.450 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -7.870 -4.455 -1.923 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -7.519 -4.472 1.673 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -7.503 -5.526 0.255 1.00 0.00 H new ATOM 548 N GLN A 39 -11.541 -3.147 -1.326 1.00 0.00 N ATOM 549 CA GLN A 39 -12.774 -2.729 -0.670 1.00 0.00 C ATOM 550 C GLN A 39 -12.586 -2.648 0.841 1.00 0.00 C ATOM 551 O GLN A 39 -13.507 -2.283 1.571 1.00 0.00 O ATOM 552 CB GLN A 39 -13.908 -3.699 -1.004 1.00 0.00 C ATOM 553 CG GLN A 39 -14.646 -3.354 -2.288 1.00 0.00 C ATOM 554 CD GLN A 39 -15.358 -2.017 -2.210 1.00 0.00 C ATOM 555 OE1 GLN A 39 -15.266 -1.198 -3.125 1.00 0.00 O ATOM 556 NE2 GLN A 39 -16.073 -1.789 -1.115 1.00 0.00 N ATOM 0 H GLN A 39 -11.530 -4.123 -1.621 1.00 0.00 H new ATOM 0 HA GLN A 39 -13.034 -1.737 -1.039 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -13.500 -4.706 -1.089 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -14.619 -3.711 -0.178 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -13.938 -3.337 -3.116 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -15.373 -4.136 -2.506 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -16.122 -2.496 -0.381 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -16.574 -0.907 -1.007 1.00 0.00 H new ATOM 565 N GLN A 40 -11.388 -2.991 1.303 1.00 0.00 N ATOM 566 CA GLN A 40 -11.081 -2.958 2.728 1.00 0.00 C ATOM 567 C GLN A 40 -10.340 -1.676 3.095 1.00 0.00 C ATOM 568 O GLN A 40 -9.668 -1.610 4.123 1.00 0.00 O ATOM 569 CB GLN A 40 -10.242 -4.176 3.119 1.00 0.00 C ATOM 570 CG GLN A 40 -11.072 -5.409 3.436 1.00 0.00 C ATOM 571 CD GLN A 40 -11.812 -5.291 4.754 1.00 0.00 C ATOM 572 OE1 GLN A 40 -12.067 -4.189 5.240 1.00 0.00 O ATOM 573 NE2 GLN A 40 -12.162 -6.430 5.341 1.00 0.00 N ATOM 0 H GLN A 40 -10.614 -3.295 0.712 1.00 0.00 H new ATOM 0 HA GLN A 40 -12.022 -2.983 3.278 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -9.555 -4.410 2.306 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -9.634 -3.924 3.988 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -11.791 -5.575 2.634 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -10.421 -6.283 3.466 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -11.930 -7.322 4.903 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -12.662 -6.413 6.230 1.00 0.00 H new ATOM 582 N ASN A 41 -10.468 -0.661 2.248 1.00 0.00 N ATOM 583 CA ASN A 41 -9.810 0.619 2.484 1.00 0.00 C ATOM 584 C ASN A 41 -8.298 0.441 2.591 1.00 0.00 C ATOM 585 O ASN A 41 -7.624 1.192 3.295 1.00 0.00 O ATOM 586 CB ASN A 41 -10.351 1.267 3.760 1.00 0.00 C ATOM 587 CG ASN A 41 -9.864 2.693 3.935 1.00 0.00 C ATOM 588 OD1 ASN A 41 -9.882 3.487 2.994 1.00 0.00 O ATOM 589 ND2 ASN A 41 -9.426 3.024 5.144 1.00 0.00 N ATOM 0 H ASN A 41 -11.021 -0.699 1.392 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.022 1.271 1.636 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -11.441 1.258 3.735 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -10.047 0.674 4.623 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -9.086 3.969 5.322 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -9.429 2.333 5.894 1.00 0.00 H new ATOM 596 N MET A 42 -7.774 -0.556 1.887 1.00 0.00 N ATOM 597 CA MET A 42 -6.342 -0.831 1.902 1.00 0.00 C ATOM 598 C MET A 42 -5.685 -0.363 0.607 1.00 0.00 C ATOM 599 O MET A 42 -6.344 -0.243 -0.426 1.00 0.00 O ATOM 600 CB MET A 42 -6.090 -2.327 2.104 1.00 0.00 C ATOM 601 CG MET A 42 -6.735 -2.887 3.361 1.00 0.00 C ATOM 602 SD MET A 42 -6.062 -2.163 4.869 1.00 0.00 S ATOM 603 CE MET A 42 -4.516 -3.056 5.013 1.00 0.00 C ATOM 0 H MET A 42 -8.319 -1.187 1.299 1.00 0.00 H new ATOM 0 HA MET A 42 -5.900 -0.280 2.732 1.00 0.00 H new ATOM 0 HB2 MET A 42 -6.468 -2.871 1.238 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.015 -2.504 2.147 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.809 -2.707 3.324 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.593 -3.967 3.387 1.00 0.00 H new ATOM 0 HE1 MET A 42 -4.085 -2.880 5.999 1.00 0.00 H new ATOM 0 HE2 MET A 42 -4.698 -4.123 4.881 1.00 0.00 H new ATOM 0 HE3 MET A 42 -3.823 -2.709 4.247 1.00 0.00 H new ATOM 613 N CYS A 43 -4.384 -0.102 0.670 1.00 0.00 N ATOM 614 CA CYS A 43 -3.639 0.354 -0.498 1.00 0.00 C ATOM 615 C CYS A 43 -2.429 -0.539 -0.753 1.00 0.00 C ATOM 616 O CYS A 43 -1.374 -0.363 -0.142 1.00 0.00 O ATOM 617 CB CYS A 43 -3.187 1.803 -0.307 1.00 0.00 C ATOM 618 SG CYS A 43 -4.542 2.998 -0.256 1.00 0.00 S ATOM 0 H CYS A 43 -3.824 -0.198 1.517 1.00 0.00 H new ATOM 0 HA CYS A 43 -4.299 0.298 -1.364 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -2.618 1.876 0.620 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.511 2.071 -1.118 1.00 0.00 H new ATOM 0 HG CYS A 43 -4.060 4.194 -0.089 1.00 0.00 H new ATOM 624 N LEU A 44 -2.589 -1.498 -1.658 1.00 0.00 N ATOM 625 CA LEU A 44 -1.511 -2.422 -1.994 1.00 0.00 C ATOM 626 C LEU A 44 -0.209 -1.668 -2.249 1.00 0.00 C ATOM 627 O LEU A 44 -0.036 -1.044 -3.295 1.00 0.00 O ATOM 628 CB LEU A 44 -1.885 -3.248 -3.225 1.00 0.00 C ATOM 629 CG LEU A 44 -0.781 -4.139 -3.797 1.00 0.00 C ATOM 630 CD1 LEU A 44 -0.375 -5.200 -2.786 1.00 0.00 C ATOM 631 CD2 LEU A 44 -1.237 -4.785 -5.097 1.00 0.00 C ATOM 0 H LEU A 44 -3.455 -1.656 -2.173 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.362 -3.092 -1.147 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.737 -3.878 -2.970 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.216 -2.566 -4.008 1.00 0.00 H new ATOM 0 HG LEU A 44 0.088 -3.517 -4.009 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.411 -5.825 -3.210 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.007 -4.718 -1.881 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.238 -5.819 -2.542 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.439 -5.415 -5.490 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.122 -5.394 -4.910 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.478 -4.009 -5.824 1.00 0.00 H new ATOM 643 N VAL A 45 0.705 -1.734 -1.285 1.00 0.00 N ATOM 644 CA VAL A 45 1.993 -1.061 -1.407 1.00 0.00 C ATOM 645 C VAL A 45 3.139 -2.066 -1.415 1.00 0.00 C ATOM 646 O VAL A 45 3.107 -3.066 -0.698 1.00 0.00 O ATOM 647 CB VAL A 45 2.212 -0.058 -0.259 1.00 0.00 C ATOM 648 CG1 VAL A 45 1.168 1.047 -0.308 1.00 0.00 C ATOM 649 CG2 VAL A 45 2.182 -0.771 1.084 1.00 0.00 C ATOM 0 H VAL A 45 0.577 -2.246 -0.412 1.00 0.00 H new ATOM 0 HA VAL A 45 1.981 -0.521 -2.354 1.00 0.00 H new ATOM 0 HB VAL A 45 3.195 0.398 -0.381 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.339 1.746 0.511 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.242 1.576 -1.258 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.173 0.612 -0.212 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.338 -0.047 1.884 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.215 -1.256 1.217 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.971 -1.522 1.115 1.00 0.00 H new ATOM 659 N TYR A 46 4.152 -1.793 -2.230 1.00 0.00 N ATOM 660 CA TYR A 46 5.309 -2.674 -2.334 1.00 0.00 C ATOM 661 C TYR A 46 6.412 -2.240 -1.373 1.00 0.00 C ATOM 662 O TYR A 46 7.027 -1.190 -1.552 1.00 0.00 O ATOM 663 CB TYR A 46 5.841 -2.685 -3.767 1.00 0.00 C ATOM 664 CG TYR A 46 7.087 -3.523 -3.944 1.00 0.00 C ATOM 665 CD1 TYR A 46 8.329 -3.052 -3.534 1.00 0.00 C ATOM 666 CD2 TYR A 46 7.023 -4.785 -4.521 1.00 0.00 C ATOM 667 CE1 TYR A 46 9.470 -3.814 -3.694 1.00 0.00 C ATOM 668 CE2 TYR A 46 8.159 -5.555 -4.684 1.00 0.00 C ATOM 669 CZ TYR A 46 9.380 -5.065 -4.269 1.00 0.00 C ATOM 670 OH TYR A 46 10.514 -5.827 -4.430 1.00 0.00 O ATOM 0 H TYR A 46 4.195 -0.968 -2.828 1.00 0.00 H new ATOM 0 HA TYR A 46 4.992 -3.681 -2.064 1.00 0.00 H new ATOM 0 HB2 TYR A 46 5.063 -3.061 -4.432 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.055 -1.661 -4.074 1.00 0.00 H new ATOM 0 HD1 TYR A 46 8.403 -2.074 -3.083 1.00 0.00 H new ATOM 0 HD2 TYR A 46 6.069 -5.171 -4.848 1.00 0.00 H new ATOM 0 HE1 TYR A 46 10.427 -3.433 -3.371 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.091 -6.535 -5.134 1.00 0.00 H new ATOM 0 HH TYR A 46 10.278 -6.681 -4.849 1.00 0.00 H new ATOM 680 N GLN A 47 6.655 -3.058 -0.354 1.00 0.00 N ATOM 681 CA GLN A 47 7.683 -2.760 0.636 1.00 0.00 C ATOM 682 C GLN A 47 9.016 -3.387 0.242 1.00 0.00 C ATOM 683 O GLN A 47 9.202 -4.602 0.311 1.00 0.00 O ATOM 684 CB GLN A 47 7.256 -3.265 2.015 1.00 0.00 C ATOM 685 CG GLN A 47 8.348 -3.160 3.067 1.00 0.00 C ATOM 686 CD GLN A 47 7.795 -3.073 4.476 1.00 0.00 C ATOM 687 OE1 GLN A 47 7.395 -4.079 5.061 1.00 0.00 O ATOM 688 NE2 GLN A 47 7.771 -1.866 5.028 1.00 0.00 N ATOM 0 H GLN A 47 6.154 -3.932 -0.192 1.00 0.00 H new ATOM 0 HA GLN A 47 7.809 -1.678 0.677 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.387 -2.697 2.348 1.00 0.00 H new ATOM 0 HB3 GLN A 47 6.943 -4.306 1.931 1.00 0.00 H new ATOM 0 HG2 GLN A 47 9.005 -4.027 2.991 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.958 -2.280 2.865 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.113 -1.059 4.506 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.410 -1.745 5.974 1.00 0.00 H new ATOM 697 N PRO A 48 9.967 -2.541 -0.181 1.00 0.00 N ATOM 698 CA PRO A 48 11.300 -2.991 -0.594 1.00 0.00 C ATOM 699 C PRO A 48 12.132 -3.493 0.580 1.00 0.00 C ATOM 700 O PRO A 48 11.805 -3.238 1.739 1.00 0.00 O ATOM 701 CB PRO A 48 11.929 -1.731 -1.195 1.00 0.00 C ATOM 702 CG PRO A 48 11.219 -0.601 -0.534 1.00 0.00 C ATOM 703 CD PRO A 48 9.815 -1.081 -0.288 1.00 0.00 C ATOM 0 HA PRO A 48 11.250 -3.831 -1.286 1.00 0.00 H new ATOM 0 HB2 PRO A 48 13.001 -1.693 -1.001 1.00 0.00 H new ATOM 0 HB3 PRO A 48 11.799 -1.701 -2.277 1.00 0.00 H new ATOM 0 HG2 PRO A 48 11.707 -0.327 0.401 1.00 0.00 H new ATOM 0 HG3 PRO A 48 11.223 0.286 -1.167 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.398 -0.653 0.623 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.147 -0.805 -1.104 1.00 0.00 H new ATOM 711 N ALA A 49 13.209 -4.209 0.273 1.00 0.00 N ATOM 712 CA ALA A 49 14.089 -4.745 1.304 1.00 0.00 C ATOM 713 C ALA A 49 14.230 -3.770 2.468 1.00 0.00 C ATOM 714 O ALA A 49 14.740 -2.662 2.303 1.00 0.00 O ATOM 715 CB ALA A 49 15.455 -5.068 0.716 1.00 0.00 C ATOM 0 H ALA A 49 13.493 -4.431 -0.681 1.00 0.00 H new ATOM 0 HA ALA A 49 13.643 -5.663 1.686 1.00 0.00 H new ATOM 0 HB1 ALA A 49 16.102 -5.467 1.497 1.00 0.00 H new ATOM 0 HB2 ALA A 49 15.344 -5.808 -0.077 1.00 0.00 H new ATOM 0 HB3 ALA A 49 15.899 -4.161 0.306 1.00 0.00 H new ATOM 721 N SER A 50 13.773 -4.189 3.643 1.00 0.00 N ATOM 722 CA SER A 50 13.844 -3.350 4.834 1.00 0.00 C ATOM 723 C SER A 50 14.307 -4.159 6.042 1.00 0.00 C ATOM 724 O SER A 50 14.112 -5.374 6.101 1.00 0.00 O ATOM 725 CB SER A 50 12.481 -2.719 5.121 1.00 0.00 C ATOM 726 OG SER A 50 12.274 -1.567 4.322 1.00 0.00 O ATOM 0 H SER A 50 13.350 -5.104 3.796 1.00 0.00 H new ATOM 0 HA SER A 50 14.571 -2.559 4.648 1.00 0.00 H new ATOM 0 HB2 SER A 50 11.692 -3.446 4.928 1.00 0.00 H new ATOM 0 HB3 SER A 50 12.416 -2.451 6.175 1.00 0.00 H new ATOM 0 HG SER A 50 12.080 -1.839 3.401 1.00 0.00 H new ATOM 732 N ASP A 51 14.920 -3.477 7.003 1.00 0.00 N ATOM 733 CA ASP A 51 15.409 -4.131 8.211 1.00 0.00 C ATOM 734 C ASP A 51 14.351 -5.063 8.793 1.00 0.00 C ATOM 735 O ASP A 51 14.632 -6.219 9.110 1.00 0.00 O ATOM 736 CB ASP A 51 15.815 -3.087 9.253 1.00 0.00 C ATOM 737 CG ASP A 51 17.034 -2.291 8.830 1.00 0.00 C ATOM 738 OD1 ASP A 51 17.962 -2.890 8.247 1.00 0.00 O ATOM 739 OD2 ASP A 51 17.060 -1.068 9.081 1.00 0.00 O ATOM 0 H ASP A 51 15.090 -2.472 6.969 1.00 0.00 H new ATOM 0 HA ASP A 51 16.282 -4.726 7.943 1.00 0.00 H new ATOM 0 HB2 ASP A 51 14.981 -2.406 9.425 1.00 0.00 H new ATOM 0 HB3 ASP A 51 16.020 -3.585 10.201 1.00 0.00 H new ATOM 744 N HIS A 52 13.131 -4.552 8.931 1.00 0.00 N ATOM 745 CA HIS A 52 12.030 -5.338 9.475 1.00 0.00 C ATOM 746 C HIS A 52 11.754 -6.561 8.605 1.00 0.00 C ATOM 747 O HIS A 52 11.698 -7.687 9.100 1.00 0.00 O ATOM 748 CB HIS A 52 10.769 -4.480 9.585 1.00 0.00 C ATOM 749 CG HIS A 52 10.933 -3.284 10.470 1.00 0.00 C ATOM 750 ND1 HIS A 52 12.034 -2.563 10.789 1.00 0.00 N flip ATOM 751 CD2 HIS A 52 9.885 -2.699 11.148 1.00 0.00 C flip ATOM 752 CE1 HIS A 52 11.634 -1.565 11.643 1.00 0.00 C flip ATOM 753 NE2 HIS A 52 10.332 -1.669 11.843 1.00 0.00 N flip ATOM 0 H HIS A 52 12.881 -3.597 8.673 1.00 0.00 H new ATOM 0 HA HIS A 52 12.316 -5.679 10.470 1.00 0.00 H new ATOM 0 HB2 HIS A 52 10.478 -4.147 8.589 1.00 0.00 H new ATOM 0 HB3 HIS A 52 9.954 -5.095 9.966 1.00 0.00 H new ATOM 0 HD2 HIS A 52 8.858 -3.031 11.116 1.00 0.00 H new ATOM 0 HE1 HIS A 52 12.279 -0.817 12.080 1.00 0.00 H new ATOM 0 HE2 HIS A 52 9.768 -1.058 12.434 1.00 0.00 H new ATOM 762 N SER A 53 11.581 -6.331 7.307 1.00 0.00 N ATOM 763 CA SER A 53 11.305 -7.413 6.369 1.00 0.00 C ATOM 764 C SER A 53 11.869 -7.091 4.989 1.00 0.00 C ATOM 765 O SER A 53 11.897 -5.940 4.554 1.00 0.00 O ATOM 766 CB SER A 53 9.799 -7.662 6.273 1.00 0.00 C ATOM 767 OG SER A 53 9.151 -6.607 5.584 1.00 0.00 O ATOM 0 H SER A 53 11.627 -5.405 6.881 1.00 0.00 H new ATOM 0 HA SER A 53 11.791 -8.316 6.739 1.00 0.00 H new ATOM 0 HB2 SER A 53 9.615 -8.604 5.757 1.00 0.00 H new ATOM 0 HB3 SER A 53 9.379 -7.759 7.274 1.00 0.00 H new ATOM 0 HG SER A 53 8.190 -6.790 5.535 1.00 0.00 H new ATOM 773 N PRO A 54 12.328 -8.134 4.280 1.00 0.00 N ATOM 774 CA PRO A 54 12.899 -7.989 2.938 1.00 0.00 C ATOM 775 C PRO A 54 11.847 -7.620 1.897 1.00 0.00 C ATOM 776 O PRO A 54 10.659 -7.531 2.207 1.00 0.00 O ATOM 777 CB PRO A 54 13.476 -9.376 2.646 1.00 0.00 C ATOM 778 CG PRO A 54 12.677 -10.305 3.493 1.00 0.00 C ATOM 779 CD PRO A 54 12.326 -9.534 4.735 1.00 0.00 C ATOM 0 HA PRO A 54 13.636 -7.187 2.894 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.386 -9.628 1.589 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.536 -9.425 2.896 1.00 0.00 H new ATOM 0 HG2 PRO A 54 11.779 -10.634 2.971 1.00 0.00 H new ATOM 0 HG3 PRO A 54 13.249 -11.200 3.738 1.00 0.00 H new ATOM 0 HD2 PRO A 54 11.353 -9.827 5.128 1.00 0.00 H new ATOM 0 HD3 PRO A 54 13.054 -9.699 5.530 1.00 0.00 H new ATOM 787 N ALA A 55 12.291 -7.407 0.663 1.00 0.00 N ATOM 788 CA ALA A 55 11.387 -7.051 -0.423 1.00 0.00 C ATOM 789 C ALA A 55 10.134 -7.920 -0.403 1.00 0.00 C ATOM 790 O ALA A 55 10.217 -9.146 -0.476 1.00 0.00 O ATOM 791 CB ALA A 55 12.097 -7.176 -1.763 1.00 0.00 C ATOM 0 H ALA A 55 13.272 -7.475 0.391 1.00 0.00 H new ATOM 0 HA ALA A 55 11.080 -6.015 -0.282 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.410 -6.907 -2.565 1.00 0.00 H new ATOM 0 HB2 ALA A 55 12.957 -6.507 -1.783 1.00 0.00 H new ATOM 0 HB3 ALA A 55 12.433 -8.204 -1.902 1.00 0.00 H new ATOM 797 N ALA A 56 8.975 -7.278 -0.302 1.00 0.00 N ATOM 798 CA ALA A 56 7.705 -7.993 -0.273 1.00 0.00 C ATOM 799 C ALA A 56 6.538 -7.049 -0.542 1.00 0.00 C ATOM 800 O ALA A 56 6.582 -5.874 -0.179 1.00 0.00 O ATOM 801 CB ALA A 56 7.524 -8.692 1.066 1.00 0.00 C ATOM 0 H ALA A 56 8.889 -6.264 -0.239 1.00 0.00 H new ATOM 0 HA ALA A 56 7.720 -8.744 -1.063 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.572 -9.222 1.074 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.336 -9.403 1.218 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.534 -7.953 1.867 1.00 0.00 H new ATOM 807 N GLU A 57 5.495 -7.572 -1.180 1.00 0.00 N ATOM 808 CA GLU A 57 4.317 -6.775 -1.498 1.00 0.00 C ATOM 809 C GLU A 57 3.216 -6.995 -0.465 1.00 0.00 C ATOM 810 O GLU A 57 2.717 -8.107 -0.301 1.00 0.00 O ATOM 811 CB GLU A 57 3.798 -7.124 -2.894 1.00 0.00 C ATOM 812 CG GLU A 57 2.926 -6.043 -3.509 1.00 0.00 C ATOM 813 CD GLU A 57 2.108 -6.548 -4.681 1.00 0.00 C ATOM 814 OE1 GLU A 57 1.266 -7.447 -4.475 1.00 0.00 O ATOM 815 OE2 GLU A 57 2.311 -6.045 -5.806 1.00 0.00 O ATOM 0 H GLU A 57 5.443 -8.544 -1.486 1.00 0.00 H new ATOM 0 HA GLU A 57 4.606 -5.724 -1.478 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.647 -7.311 -3.551 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.227 -8.051 -2.839 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.255 -5.646 -2.747 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.557 -5.218 -3.840 1.00 0.00 H new ATOM 822 N GLY A 58 2.842 -5.925 0.231 1.00 0.00 N ATOM 823 CA GLY A 58 1.803 -6.021 1.240 1.00 0.00 C ATOM 824 C GLY A 58 0.825 -4.865 1.178 1.00 0.00 C ATOM 825 O GLY A 58 1.086 -3.858 0.520 1.00 0.00 O ATOM 0 H GLY A 58 3.240 -4.993 0.114 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.261 -6.958 1.111 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.262 -6.052 2.228 1.00 0.00 H new ATOM 829 N TRP A 59 -0.304 -5.010 1.862 1.00 0.00 N ATOM 830 CA TRP A 59 -1.326 -3.970 1.880 1.00 0.00 C ATOM 831 C TRP A 59 -1.252 -3.157 3.168 1.00 0.00 C ATOM 832 O TRP A 59 -0.893 -3.679 4.223 1.00 0.00 O ATOM 833 CB TRP A 59 -2.716 -4.589 1.732 1.00 0.00 C ATOM 834 CG TRP A 59 -2.913 -5.303 0.428 1.00 0.00 C ATOM 835 CD1 TRP A 59 -2.379 -6.506 0.064 1.00 0.00 C ATOM 836 CD2 TRP A 59 -3.697 -4.856 -0.683 1.00 0.00 C ATOM 837 NE1 TRP A 59 -2.784 -6.834 -1.208 1.00 0.00 N ATOM 838 CE2 TRP A 59 -3.594 -5.839 -1.687 1.00 0.00 C ATOM 839 CE3 TRP A 59 -4.477 -3.723 -0.928 1.00 0.00 C ATOM 840 CZ2 TRP A 59 -4.241 -5.720 -2.914 1.00 0.00 C ATOM 841 CZ3 TRP A 59 -5.119 -3.606 -2.146 1.00 0.00 C ATOM 842 CH2 TRP A 59 -4.998 -4.600 -3.126 1.00 0.00 C ATOM 0 H TRP A 59 -0.535 -5.838 2.412 1.00 0.00 H new ATOM 0 HA TRP A 59 -1.143 -3.301 1.039 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -2.883 -5.289 2.550 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -3.467 -3.805 1.826 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -1.734 -7.111 0.684 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -2.524 -7.681 -1.713 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -4.576 -2.952 -0.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -4.149 -6.484 -3.671 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -5.724 -2.734 -2.346 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -5.513 -4.480 -4.068 1.00 0.00 H new ATOM 853 N VAL A 60 -1.595 -1.876 3.075 1.00 0.00 N ATOM 854 CA VAL A 60 -1.569 -0.992 4.234 1.00 0.00 C ATOM 855 C VAL A 60 -2.653 0.076 4.135 1.00 0.00 C ATOM 856 O VAL A 60 -3.058 0.485 3.047 1.00 0.00 O ATOM 857 CB VAL A 60 -0.199 -0.304 4.384 1.00 0.00 C ATOM 858 CG1 VAL A 60 0.911 -1.340 4.483 1.00 0.00 C ATOM 859 CG2 VAL A 60 0.050 0.647 3.224 1.00 0.00 C ATOM 0 H VAL A 60 -1.894 -1.428 2.209 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.754 -1.613 5.110 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.203 0.278 5.306 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.871 -0.835 4.588 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.738 -1.976 5.351 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.920 -1.951 3.581 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.022 1.124 3.347 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.035 0.090 2.287 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.728 1.410 3.205 1.00 0.00 H new ATOM 869 N PRO A 61 -3.135 0.539 5.297 1.00 0.00 N ATOM 870 CA PRO A 61 -4.179 1.566 5.369 1.00 0.00 C ATOM 871 C PRO A 61 -3.677 2.934 4.919 1.00 0.00 C ATOM 872 O PRO A 61 -2.870 3.565 5.601 1.00 0.00 O ATOM 873 CB PRO A 61 -4.549 1.593 6.854 1.00 0.00 C ATOM 874 CG PRO A 61 -3.332 1.099 7.556 1.00 0.00 C ATOM 875 CD PRO A 61 -2.699 0.096 6.632 1.00 0.00 C ATOM 0 HA PRO A 61 -5.019 1.341 4.711 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.812 2.600 7.178 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.410 0.957 7.059 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.646 1.918 7.771 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.591 0.641 8.511 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.613 0.097 6.721 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.035 -0.918 6.849 1.00 0.00 H new ATOM 883 N GLY A 62 -4.161 3.388 3.767 1.00 0.00 N ATOM 884 CA GLY A 62 -3.750 4.679 3.247 1.00 0.00 C ATOM 885 C GLY A 62 -3.764 5.762 4.308 1.00 0.00 C ATOM 886 O GLY A 62 -3.085 6.780 4.173 1.00 0.00 O ATOM 0 H GLY A 62 -4.830 2.885 3.185 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.746 4.596 2.830 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.412 4.966 2.430 1.00 0.00 H new ATOM 890 N SER A 63 -4.539 5.544 5.364 1.00 0.00 N ATOM 891 CA SER A 63 -4.643 6.512 6.450 1.00 0.00 C ATOM 892 C SER A 63 -3.261 6.889 6.975 1.00 0.00 C ATOM 893 O SER A 63 -2.980 8.061 7.229 1.00 0.00 O ATOM 894 CB SER A 63 -5.496 5.946 7.587 1.00 0.00 C ATOM 895 OG SER A 63 -6.824 5.705 7.157 1.00 0.00 O ATOM 0 H SER A 63 -5.105 4.705 5.492 1.00 0.00 H new ATOM 0 HA SER A 63 -5.122 7.410 6.059 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.054 5.018 7.950 1.00 0.00 H new ATOM 0 HB3 SER A 63 -5.502 6.645 8.424 1.00 0.00 H new ATOM 0 HG SER A 63 -7.348 5.342 7.901 1.00 0.00 H new ATOM 901 N ILE A 64 -2.402 5.888 7.135 1.00 0.00 N ATOM 902 CA ILE A 64 -1.049 6.114 7.628 1.00 0.00 C ATOM 903 C ILE A 64 -0.090 6.419 6.483 1.00 0.00 C ATOM 904 O ILE A 64 1.128 6.315 6.634 1.00 0.00 O ATOM 905 CB ILE A 64 -0.525 4.896 8.412 1.00 0.00 C ATOM 906 CG1 ILE A 64 -0.304 3.712 7.468 1.00 0.00 C ATOM 907 CG2 ILE A 64 -1.496 4.522 9.521 1.00 0.00 C ATOM 908 CD1 ILE A 64 0.589 2.637 8.046 1.00 0.00 C ATOM 0 H ILE A 64 -2.619 4.913 6.930 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.096 6.973 8.297 1.00 0.00 H new ATOM 0 HB ILE A 64 0.431 5.158 8.866 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.270 3.274 7.216 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.134 4.076 6.538 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.112 3.660 10.066 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.608 5.363 10.205 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.465 4.275 9.088 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.701 1.829 7.323 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.568 3.060 8.273 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.142 2.246 8.960 1.00 0.00 H new ATOM 920 N LEU A 65 -0.647 6.798 5.338 1.00 0.00 N ATOM 921 CA LEU A 65 0.159 7.121 4.165 1.00 0.00 C ATOM 922 C LEU A 65 0.034 8.599 3.809 1.00 0.00 C ATOM 923 O LEU A 65 -1.041 9.187 3.925 1.00 0.00 O ATOM 924 CB LEU A 65 -0.268 6.260 2.976 1.00 0.00 C ATOM 925 CG LEU A 65 0.098 4.777 3.055 1.00 0.00 C ATOM 926 CD1 LEU A 65 -0.288 4.063 1.769 1.00 0.00 C ATOM 927 CD2 LEU A 65 1.584 4.609 3.335 1.00 0.00 C ATOM 0 H LEU A 65 -1.653 6.889 5.197 1.00 0.00 H new ATOM 0 HA LEU A 65 1.202 6.910 4.402 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.349 6.341 2.864 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.178 6.676 2.073 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.459 4.328 3.877 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.020 3.009 1.843 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.363 4.154 1.611 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.242 4.514 0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.827 3.548 3.388 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.160 5.073 2.534 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.832 5.085 4.284 1.00 0.00 H new ATOM 939 N ALA A 66 1.140 9.193 3.372 1.00 0.00 N ATOM 940 CA ALA A 66 1.153 10.600 2.995 1.00 0.00 C ATOM 941 C ALA A 66 1.883 10.807 1.672 1.00 0.00 C ATOM 942 O ALA A 66 2.784 10.051 1.308 1.00 0.00 O ATOM 943 CB ALA A 66 1.797 11.435 4.091 1.00 0.00 C ATOM 0 H ALA A 66 2.038 8.721 3.271 1.00 0.00 H new ATOM 0 HA ALA A 66 0.121 10.925 2.866 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.800 12.484 3.795 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.231 11.320 5.016 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.822 11.100 4.249 1.00 0.00 H new ATOM 949 N PRO A 67 1.487 11.854 0.934 1.00 0.00 N ATOM 950 CA PRO A 67 2.091 12.184 -0.361 1.00 0.00 C ATOM 951 C PRO A 67 3.519 12.700 -0.219 1.00 0.00 C ATOM 952 O PRO A 67 3.739 13.881 0.050 1.00 0.00 O ATOM 953 CB PRO A 67 1.177 13.284 -0.908 1.00 0.00 C ATOM 954 CG PRO A 67 0.566 13.905 0.300 1.00 0.00 C ATOM 955 CD PRO A 67 0.418 12.797 1.306 1.00 0.00 C ATOM 0 HA PRO A 67 2.167 11.312 -1.010 1.00 0.00 H new ATOM 0 HB2 PRO A 67 1.741 14.016 -1.487 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.415 12.873 -1.570 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.197 14.704 0.689 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.401 14.349 0.064 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.540 13.161 2.326 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.566 12.332 1.250 1.00 0.00 H new ATOM 963 N PHE A 68 4.486 11.807 -0.402 1.00 0.00 N ATOM 964 CA PHE A 68 5.894 12.172 -0.294 1.00 0.00 C ATOM 965 C PHE A 68 6.289 13.147 -1.399 1.00 0.00 C ATOM 966 O PHE A 68 5.619 13.242 -2.428 1.00 0.00 O ATOM 967 CB PHE A 68 6.773 10.922 -0.363 1.00 0.00 C ATOM 968 CG PHE A 68 8.225 11.194 -0.087 1.00 0.00 C ATOM 969 CD1 PHE A 68 8.607 11.913 1.033 1.00 0.00 C ATOM 970 CD2 PHE A 68 9.206 10.731 -0.949 1.00 0.00 C ATOM 971 CE1 PHE A 68 9.942 12.165 1.291 1.00 0.00 C ATOM 972 CE2 PHE A 68 10.542 10.980 -0.697 1.00 0.00 C ATOM 973 CZ PHE A 68 10.910 11.698 0.424 1.00 0.00 C ATOM 0 H PHE A 68 4.321 10.826 -0.626 1.00 0.00 H new ATOM 0 HA PHE A 68 6.044 12.661 0.669 1.00 0.00 H new ATOM 0 HB2 PHE A 68 6.406 10.189 0.356 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.677 10.474 -1.352 1.00 0.00 H new ATOM 0 HD1 PHE A 68 7.853 12.281 1.713 1.00 0.00 H new ATOM 0 HD2 PHE A 68 8.924 10.169 -1.827 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.227 12.726 2.169 1.00 0.00 H new ATOM 0 HE2 PHE A 68 11.298 10.613 -1.376 1.00 0.00 H new ATOM 0 HZ PHE A 68 11.953 11.894 0.622 1.00 0.00 H new ATOM 983 N SER A 69 7.381 13.872 -1.178 1.00 0.00 N ATOM 984 CA SER A 69 7.864 14.843 -2.153 1.00 0.00 C ATOM 985 C SER A 69 9.337 14.606 -2.473 1.00 0.00 C ATOM 986 O SER A 69 10.182 14.582 -1.579 1.00 0.00 O ATOM 987 CB SER A 69 7.668 16.266 -1.626 1.00 0.00 C ATOM 988 OG SER A 69 8.187 17.222 -2.534 1.00 0.00 O ATOM 0 H SER A 69 7.948 13.805 -0.333 1.00 0.00 H new ATOM 0 HA SER A 69 7.287 14.719 -3.069 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.607 16.454 -1.463 1.00 0.00 H new ATOM 0 HB3 SER A 69 8.163 16.371 -0.660 1.00 0.00 H new ATOM 0 HG SER A 69 8.048 18.123 -2.175 1.00 0.00 H new ATOM 994 N GLY A 70 9.636 14.430 -3.756 1.00 0.00 N ATOM 995 CA GLY A 70 11.007 14.196 -4.173 1.00 0.00 C ATOM 996 C GLY A 70 11.348 14.907 -5.468 1.00 0.00 C ATOM 997 O GLY A 70 10.515 15.046 -6.363 1.00 0.00 O ATOM 0 H GLY A 70 8.954 14.445 -4.514 1.00 0.00 H new ATOM 0 HA2 GLY A 70 11.685 14.532 -3.388 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.168 13.125 -4.297 1.00 0.00 H new ATOM 1001 N PRO A 71 12.601 15.373 -5.579 1.00 0.00 N ATOM 1002 CA PRO A 71 13.079 16.083 -6.769 1.00 0.00 C ATOM 1003 C PRO A 71 13.210 15.163 -7.978 1.00 0.00 C ATOM 1004 O PRO A 71 13.339 15.626 -9.111 1.00 0.00 O ATOM 1005 CB PRO A 71 14.453 16.605 -6.343 1.00 0.00 C ATOM 1006 CG PRO A 71 14.897 15.672 -5.269 1.00 0.00 C ATOM 1007 CD PRO A 71 13.647 15.244 -4.551 1.00 0.00 C ATOM 0 HA PRO A 71 12.389 16.867 -7.081 1.00 0.00 H new ATOM 0 HB2 PRO A 71 15.152 16.607 -7.179 1.00 0.00 H new ATOM 0 HB3 PRO A 71 14.391 17.630 -5.976 1.00 0.00 H new ATOM 0 HG2 PRO A 71 15.419 14.813 -5.690 1.00 0.00 H new ATOM 0 HG3 PRO A 71 15.590 16.164 -4.587 1.00 0.00 H new ATOM 0 HD2 PRO A 71 13.725 14.221 -4.184 1.00 0.00 H new ATOM 0 HD3 PRO A 71 13.442 15.878 -3.688 1.00 0.00 H new ATOM 1015 N SER A 72 13.175 13.858 -7.730 1.00 0.00 N ATOM 1016 CA SER A 72 13.293 12.873 -8.799 1.00 0.00 C ATOM 1017 C SER A 72 12.581 13.352 -10.060 1.00 0.00 C ATOM 1018 O SER A 72 13.198 13.508 -11.113 1.00 0.00 O ATOM 1019 CB SER A 72 12.712 11.530 -8.350 1.00 0.00 C ATOM 1020 OG SER A 72 13.370 10.451 -8.990 1.00 0.00 O ATOM 0 H SER A 72 13.066 13.458 -6.798 1.00 0.00 H new ATOM 0 HA SER A 72 14.351 12.745 -9.027 1.00 0.00 H new ATOM 0 HB2 SER A 72 12.811 11.431 -7.269 1.00 0.00 H new ATOM 0 HB3 SER A 72 11.646 11.497 -8.577 1.00 0.00 H new ATOM 0 HG SER A 72 12.982 9.604 -8.685 1.00 0.00 H new ATOM 1026 N SER A 73 11.277 13.583 -9.944 1.00 0.00 N ATOM 1027 CA SER A 73 10.479 14.041 -11.076 1.00 0.00 C ATOM 1028 C SER A 73 10.680 15.534 -11.314 1.00 0.00 C ATOM 1029 O SER A 73 10.975 16.288 -10.388 1.00 0.00 O ATOM 1030 CB SER A 73 8.997 13.747 -10.833 1.00 0.00 C ATOM 1031 OG SER A 73 8.774 12.358 -10.663 1.00 0.00 O ATOM 0 H SER A 73 10.751 13.461 -9.079 1.00 0.00 H new ATOM 0 HA SER A 73 10.809 13.502 -11.964 1.00 0.00 H new ATOM 0 HB2 SER A 73 8.657 14.284 -9.948 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.408 14.113 -11.674 1.00 0.00 H new ATOM 0 HG SER A 73 7.820 12.196 -10.508 1.00 0.00 H new ATOM 1037 N GLY A 74 10.518 15.954 -12.565 1.00 0.00 N ATOM 1038 CA GLY A 74 10.686 17.355 -12.904 1.00 0.00 C ATOM 1039 C GLY A 74 9.362 18.072 -13.079 1.00 0.00 C ATOM 1040 O GLY A 74 8.331 17.615 -12.585 1.00 0.00 O ATOM 0 H GLY A 74 10.274 15.349 -13.349 1.00 0.00 H new ATOM 0 HA2 GLY A 74 11.262 17.848 -12.121 1.00 0.00 H new ATOM 0 HA3 GLY A 74 11.264 17.436 -13.825 1.00 0.00 H new TER 1044 GLY A 74