USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 570 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 69 HIS : no HD1:sc= 0.533 K(o=0.96,f=-3.6!) USER MOD Set 1.2: A 71 HIS : no HE2:sc= 0.425 K(o=0.96,f=-1.8) USER MOD Set 2.1: A 70 HIS : no HD1:sc= 0.607 K(o=1,f=-5.7!) USER MOD Set 2.2: A 72 HIS : no HE2:sc= 0.422 K(o=1,f=-4.1) USER MOD Set 3.1: A 4 ASN : amide:sc= 0.789 K(o=1.7,f=-1.1) USER MOD Set 3.2: A 47 THR OG1 : rot -69:sc= 0.907 USER MOD Single : A 1 MET CE :methyl -166:sc=-0.00934 (180deg=-0.25) USER MOD Single : A 1 MET N :NH3+ -124:sc= -0.118 (180deg=-0.171) USER MOD Single : A 3 MET CE :methyl 173:sc= -0.439 (180deg=-0.445) USER MOD Single : A 6 THR OG1 : rot 71:sc= 0.99 USER MOD Single : A 8 THR OG1 : rot -100:sc=-0.000193 USER MOD Single : A 9 THR OG1 : rot -113:sc= 0.0253 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0.0467 X(o=0.047,f=0) USER MOD Single : A 26 ASN : amide:sc= -0.0349 K(o=-0.035,f=-1.3) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= 0.204 K(o=0.2,f=-5.3!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0.947 K(o=0.95,f=-1.2) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -160:sc= -0.375 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.557 USER MOD Single : A 53 ASN : amide:sc= -0.0383 K(o=-0.038,f=-1.3!) USER MOD Single : A 54 ASN : amide:sc= -0.589 K(o=-0.59,f=-3.5!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 HIS : no HE2:sc= -0.798 K(o=-0.8,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.348 12.684 7.383 1.00 0.00 N ATOM 2 CA MET A 1 4.463 11.856 6.188 1.00 0.00 C ATOM 3 C MET A 1 4.512 10.377 6.555 1.00 0.00 C ATOM 4 O MET A 1 5.368 9.636 6.073 1.00 0.00 O ATOM 5 CB MET A 1 5.706 12.246 5.390 1.00 0.00 C ATOM 6 CG MET A 1 5.689 13.672 4.856 1.00 0.00 C ATOM 7 SD MET A 1 4.341 13.963 3.694 1.00 0.00 S ATOM 8 CE MET A 1 4.895 13.006 2.286 1.00 0.00 C ATOM 0 H1 MET A 1 3.508 13.292 7.304 1.00 0.00 H new ATOM 0 H2 MET A 1 4.257 12.074 8.220 1.00 0.00 H new ATOM 0 H3 MET A 1 5.197 13.277 7.477 1.00 0.00 H new ATOM 0 HA MET A 1 3.581 12.025 5.570 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.584 12.119 6.023 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.815 11.558 4.551 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.600 14.367 5.691 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.639 13.883 4.365 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.309 13.277 1.408 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.948 13.213 2.097 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.766 11.944 2.494 1.00 0.00 H new ATOM 20 N ALA A 2 3.589 9.953 7.412 1.00 0.00 N ATOM 21 CA ALA A 2 3.523 8.561 7.839 1.00 0.00 C ATOM 22 C ALA A 2 2.084 8.135 8.102 1.00 0.00 C ATOM 23 O ALA A 2 1.573 8.293 9.211 1.00 0.00 O ATOM 24 CB ALA A 2 4.376 8.350 9.082 1.00 0.00 C ATOM 0 H ALA A 2 2.876 10.554 7.825 1.00 0.00 H new ATOM 0 HA ALA A 2 3.915 7.940 7.034 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.318 7.306 9.390 1.00 0.00 H new ATOM 0 HB2 ALA A 2 5.412 8.606 8.860 1.00 0.00 H new ATOM 0 HB3 ALA A 2 4.010 8.987 9.887 1.00 0.00 H new ATOM 30 N MET A 3 1.435 7.591 7.078 1.00 0.00 N ATOM 31 CA MET A 3 0.012 7.281 7.152 1.00 0.00 C ATOM 32 C MET A 3 -0.210 5.779 7.288 1.00 0.00 C ATOM 33 O MET A 3 0.545 4.978 6.736 1.00 0.00 O ATOM 34 CB MET A 3 -0.712 7.817 5.919 1.00 0.00 C ATOM 35 CG MET A 3 -0.702 9.334 5.792 1.00 0.00 C ATOM 36 SD MET A 3 -1.582 9.915 4.328 1.00 0.00 S ATOM 37 CE MET A 3 -1.544 11.685 4.591 1.00 0.00 C ATOM 0 H MET A 3 1.872 7.356 6.187 1.00 0.00 H new ATOM 0 HA MET A 3 -0.398 7.767 8.038 1.00 0.00 H new ATOM 0 HB2 MET A 3 -0.254 7.387 5.028 1.00 0.00 H new ATOM 0 HB3 MET A 3 -1.746 7.474 5.942 1.00 0.00 H new ATOM 0 HG2 MET A 3 -1.155 9.772 6.681 1.00 0.00 H new ATOM 0 HG3 MET A 3 0.329 9.685 5.754 1.00 0.00 H new ATOM 0 HE1 MET A 3 -1.939 12.192 3.711 1.00 0.00 H new ATOM 0 HE2 MET A 3 -2.154 11.937 5.459 1.00 0.00 H new ATOM 0 HE3 MET A 3 -0.517 12.005 4.764 1.00 0.00 H new ATOM 47 N ASN A 4 -1.250 5.402 8.025 1.00 0.00 N ATOM 48 CA ASN A 4 -1.532 3.995 8.286 1.00 0.00 C ATOM 49 C ASN A 4 -2.785 3.545 7.540 1.00 0.00 C ATOM 50 O ASN A 4 -3.665 4.351 7.239 1.00 0.00 O ATOM 51 CB ASN A 4 -1.677 3.723 9.772 1.00 0.00 C ATOM 52 CG ASN A 4 -0.413 3.946 10.554 1.00 0.00 C ATOM 53 OD1 ASN A 4 0.698 3.820 10.025 1.00 0.00 O ATOM 54 ND2 ASN A 4 -0.573 4.197 11.828 1.00 0.00 N ATOM 0 H ASN A 4 -1.911 6.051 8.452 1.00 0.00 H new ATOM 0 HA ASN A 4 -0.682 3.419 7.920 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -2.461 4.365 10.175 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -2.004 2.693 9.913 1.00 0.00 H new ATOM 0 HD21 ASN A 4 0.241 4.298 12.434 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -1.512 4.292 12.215 1.00 0.00 H new ATOM 61 N GLY A 5 -2.858 2.251 7.243 1.00 0.00 N ATOM 62 CA GLY A 5 -4.012 1.714 6.546 1.00 0.00 C ATOM 63 C GLY A 5 -4.113 0.207 6.667 1.00 0.00 C ATOM 64 O GLY A 5 -3.290 -0.427 7.331 1.00 0.00 O ATOM 0 H GLY A 5 -2.139 1.565 7.473 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.918 2.169 6.946 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -3.956 1.988 5.492 1.00 0.00 H new ATOM 68 N THR A 6 -5.125 -0.371 6.028 1.00 0.00 N ATOM 69 CA THR A 6 -5.345 -1.811 6.088 1.00 0.00 C ATOM 70 C THR A 6 -5.490 -2.403 4.690 1.00 0.00 C ATOM 71 O THR A 6 -6.088 -1.788 3.805 1.00 0.00 O ATOM 72 CB THR A 6 -6.597 -2.156 6.914 1.00 0.00 C ATOM 73 OG1 THR A 6 -6.731 -3.580 7.009 1.00 0.00 O ATOM 74 CG2 THR A 6 -7.843 -1.575 6.264 1.00 0.00 C ATOM 0 H THR A 6 -5.806 0.136 5.463 1.00 0.00 H new ATOM 0 HA THR A 6 -4.471 -2.244 6.574 1.00 0.00 H new ATOM 0 HB THR A 6 -6.487 -1.727 7.910 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.031 -3.936 7.595 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.718 -1.829 6.862 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.749 -0.491 6.201 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.957 -1.988 5.262 1.00 0.00 H new ATOM 82 N ILE A 7 -4.943 -3.597 4.500 1.00 0.00 N ATOM 83 CA ILE A 7 -5.060 -4.297 3.226 1.00 0.00 C ATOM 84 C ILE A 7 -6.434 -4.942 3.078 1.00 0.00 C ATOM 85 O ILE A 7 -6.860 -5.726 3.928 1.00 0.00 O ATOM 86 CB ILE A 7 -3.975 -5.378 3.074 1.00 0.00 C ATOM 87 CG1 ILE A 7 -2.583 -4.741 3.068 1.00 0.00 C ATOM 88 CG2 ILE A 7 -4.201 -6.182 1.803 1.00 0.00 C ATOM 89 CD1 ILE A 7 -1.453 -5.741 3.157 1.00 0.00 C ATOM 0 H ILE A 7 -4.414 -4.101 5.211 1.00 0.00 H new ATOM 0 HA ILE A 7 -4.926 -3.551 2.443 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.039 -6.056 3.925 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.466 -4.155 2.156 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.508 -4.047 3.905 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -3.425 -6.942 1.711 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -5.178 -6.664 1.846 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.162 -5.517 0.940 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.499 -5.214 3.147 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.543 -6.311 4.082 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.501 -6.421 2.306 1.00 0.00 H new ATOM 101 N THR A 8 -7.126 -4.609 1.992 1.00 0.00 N ATOM 102 CA THR A 8 -8.446 -5.166 1.727 1.00 0.00 C ATOM 103 C THR A 8 -8.354 -6.404 0.842 1.00 0.00 C ATOM 104 O THR A 8 -9.076 -7.380 1.046 1.00 0.00 O ATOM 105 CB THR A 8 -9.370 -4.133 1.053 1.00 0.00 C ATOM 106 OG1 THR A 8 -9.516 -2.991 1.907 1.00 0.00 O ATOM 107 CG2 THR A 8 -10.738 -4.738 0.783 1.00 0.00 C ATOM 0 H THR A 8 -6.793 -3.956 1.282 1.00 0.00 H new ATOM 0 HA THR A 8 -8.869 -5.444 2.692 1.00 0.00 H new ATOM 0 HB THR A 8 -8.924 -3.832 0.105 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.368 -3.049 2.387 1.00 0.00 H new ATOM 0 HG21 THR A 8 -11.377 -3.994 0.307 1.00 0.00 H new ATOM 0 HG22 THR A 8 -10.631 -5.600 0.124 1.00 0.00 H new ATOM 0 HG23 THR A 8 -11.188 -5.054 1.724 1.00 0.00 H new ATOM 115 N THR A 9 -7.459 -6.358 -0.139 1.00 0.00 N ATOM 116 CA THR A 9 -7.256 -7.485 -1.042 1.00 0.00 C ATOM 117 C THR A 9 -5.816 -7.542 -1.536 1.00 0.00 C ATOM 118 O THR A 9 -5.157 -6.510 -1.677 1.00 0.00 O ATOM 119 CB THR A 9 -8.203 -7.415 -2.254 1.00 0.00 C ATOM 120 OG1 THR A 9 -8.045 -8.594 -3.055 1.00 0.00 O ATOM 121 CG2 THR A 9 -7.898 -6.188 -3.099 1.00 0.00 C ATOM 0 H THR A 9 -6.863 -5.553 -0.329 1.00 0.00 H new ATOM 0 HA THR A 9 -7.477 -8.388 -0.473 1.00 0.00 H new ATOM 0 HB THR A 9 -9.229 -7.348 -1.892 1.00 0.00 H new ATOM 0 HG1 THR A 9 -7.646 -8.353 -3.917 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.577 -6.155 -3.951 1.00 0.00 H new ATOM 0 HG22 THR A 9 -8.028 -5.289 -2.496 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.870 -6.239 -3.456 1.00 0.00 H new ATOM 129 N TRP A 10 -5.331 -8.751 -1.796 1.00 0.00 N ATOM 130 CA TRP A 10 -3.923 -8.958 -2.110 1.00 0.00 C ATOM 131 C TRP A 10 -3.759 -9.988 -3.224 1.00 0.00 C ATOM 132 O TRP A 10 -4.312 -11.085 -3.153 1.00 0.00 O ATOM 133 CB TRP A 10 -3.156 -9.405 -0.864 1.00 0.00 C ATOM 134 CG TRP A 10 -1.669 -9.439 -1.056 1.00 0.00 C ATOM 135 CD1 TRP A 10 -0.928 -10.496 -1.488 1.00 0.00 C ATOM 136 CD2 TRP A 10 -0.747 -8.368 -0.822 1.00 0.00 C ATOM 137 NE1 TRP A 10 0.401 -10.153 -1.537 1.00 0.00 N ATOM 138 CE2 TRP A 10 0.537 -8.848 -1.135 1.00 0.00 C ATOM 139 CE3 TRP A 10 -0.884 -7.046 -0.380 1.00 0.00 C ATOM 140 CZ2 TRP A 10 1.674 -8.064 -1.018 1.00 0.00 C ATOM 141 CZ3 TRP A 10 0.256 -6.258 -0.265 1.00 0.00 C ATOM 142 CH2 TRP A 10 1.498 -6.753 -0.575 1.00 0.00 C ATOM 0 H TRP A 10 -5.893 -9.602 -1.795 1.00 0.00 H new ATOM 0 HA TRP A 10 -3.512 -8.009 -2.455 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -3.393 -8.731 -0.040 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -3.499 -10.398 -0.572 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -1.327 -11.464 -1.754 1.00 0.00 H new ATOM 0 HE1 TRP A 10 1.162 -10.768 -1.825 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -1.856 -6.646 -0.133 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 2.653 -8.451 -1.259 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 0.162 -5.237 0.075 1.00 0.00 H new ATOM 0 HH2 TRP A 10 2.361 -6.111 -0.473 1.00 0.00 H new ATOM 153 N PHE A 11 -2.998 -9.626 -4.252 1.00 0.00 N ATOM 154 CA PHE A 11 -2.697 -10.548 -5.341 1.00 0.00 C ATOM 155 C PHE A 11 -1.195 -10.797 -5.443 1.00 0.00 C ATOM 156 O PHE A 11 -0.481 -10.085 -6.148 1.00 0.00 O ATOM 157 CB PHE A 11 -3.233 -10.004 -6.666 1.00 0.00 C ATOM 158 CG PHE A 11 -4.717 -9.771 -6.669 1.00 0.00 C ATOM 159 CD1 PHE A 11 -5.596 -10.799 -6.975 1.00 0.00 C ATOM 160 CD2 PHE A 11 -5.238 -8.521 -6.367 1.00 0.00 C ATOM 161 CE1 PHE A 11 -6.960 -10.587 -6.978 1.00 0.00 C ATOM 162 CE2 PHE A 11 -6.602 -8.305 -6.369 1.00 0.00 C ATOM 163 CZ PHE A 11 -7.464 -9.337 -6.675 1.00 0.00 C ATOM 0 H PHE A 11 -2.579 -8.702 -4.354 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.189 -11.497 -5.126 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.727 -9.066 -6.894 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -2.983 -10.704 -7.463 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -5.208 -11.778 -7.214 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.569 -7.708 -6.128 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -7.632 -11.398 -7.217 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -6.994 -7.327 -6.131 1.00 0.00 H new ATOM 0 HZ PHE A 11 -8.531 -9.168 -6.678 1.00 0.00 H new ATOM 173 N LYS A 12 -0.721 -11.816 -4.731 1.00 0.00 N ATOM 174 CA LYS A 12 0.695 -12.160 -4.737 1.00 0.00 C ATOM 175 C LYS A 12 1.135 -12.630 -6.120 1.00 0.00 C ATOM 176 O LYS A 12 2.312 -12.540 -6.472 1.00 0.00 O ATOM 177 CB LYS A 12 0.990 -13.239 -3.693 1.00 0.00 C ATOM 178 CG LYS A 12 0.402 -14.606 -4.019 1.00 0.00 C ATOM 179 CD LYS A 12 0.723 -15.619 -2.930 1.00 0.00 C ATOM 180 CE LYS A 12 0.168 -16.994 -3.271 1.00 0.00 C ATOM 181 NZ LYS A 12 0.465 -17.993 -2.209 1.00 0.00 N ATOM 0 H LYS A 12 -1.298 -12.417 -4.143 1.00 0.00 H new ATOM 0 HA LYS A 12 1.261 -11.264 -4.483 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.070 -13.338 -3.585 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.602 -12.910 -2.729 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -0.679 -14.522 -4.133 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.797 -14.956 -4.973 1.00 0.00 H new ATOM 0 HD2 LYS A 12 1.803 -15.683 -2.798 1.00 0.00 H new ATOM 0 HD3 LYS A 12 0.305 -15.281 -1.982 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.911 -16.925 -3.413 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.593 -17.332 -4.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 0.070 -18.916 -2.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 1.495 -18.078 -2.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 0.038 -17.684 -1.312 1.00 0.00 H new ATOM 195 N ASP A 13 0.183 -13.130 -6.901 1.00 0.00 N ATOM 196 CA ASP A 13 0.473 -13.618 -8.243 1.00 0.00 C ATOM 197 C ASP A 13 0.724 -12.459 -9.201 1.00 0.00 C ATOM 198 O ASP A 13 1.487 -12.584 -10.159 1.00 0.00 O ATOM 199 CB ASP A 13 -0.674 -14.491 -8.758 1.00 0.00 C ATOM 200 CG ASP A 13 -0.769 -15.859 -8.097 1.00 0.00 C ATOM 201 OD1 ASP A 13 0.165 -16.244 -7.435 1.00 0.00 O ATOM 202 OD2 ASP A 13 -1.828 -16.439 -8.128 1.00 0.00 O ATOM 0 H ASP A 13 -0.796 -13.208 -6.627 1.00 0.00 H new ATOM 0 HA ASP A 13 1.378 -14.224 -8.192 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.614 -13.961 -8.605 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -0.556 -14.628 -9.833 1.00 0.00 H new ATOM 207 N LYS A 14 0.076 -11.329 -8.937 1.00 0.00 N ATOM 208 CA LYS A 14 0.227 -10.145 -9.777 1.00 0.00 C ATOM 209 C LYS A 14 1.189 -9.147 -9.142 1.00 0.00 C ATOM 210 O LYS A 14 1.652 -8.216 -9.798 1.00 0.00 O ATOM 211 CB LYS A 14 -1.130 -9.486 -10.025 1.00 0.00 C ATOM 212 CG LYS A 14 -2.116 -10.348 -10.801 1.00 0.00 C ATOM 213 CD LYS A 14 -3.436 -9.622 -11.016 1.00 0.00 C ATOM 214 CE LYS A 14 -4.415 -10.475 -11.811 1.00 0.00 C ATOM 215 NZ LYS A 14 -5.695 -9.761 -12.065 1.00 0.00 N ATOM 0 H LYS A 14 -0.559 -11.208 -8.148 1.00 0.00 H new ATOM 0 HA LYS A 14 0.642 -10.461 -10.734 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.573 -9.223 -9.065 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.974 -8.555 -10.569 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.686 -10.618 -11.765 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.294 -11.277 -10.260 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.874 -9.366 -10.051 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.256 -8.685 -11.543 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.962 -10.757 -12.761 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.616 -11.398 -11.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.334 -10.376 -12.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.141 -9.514 -11.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.507 -8.893 -12.606 1.00 0.00 H new ATOM 229 N GLY A 15 1.488 -9.350 -7.863 1.00 0.00 N ATOM 230 CA GLY A 15 2.327 -8.414 -7.139 1.00 0.00 C ATOM 231 C GLY A 15 1.627 -7.097 -6.865 1.00 0.00 C ATOM 232 O GLY A 15 2.240 -6.032 -6.936 1.00 0.00 O ATOM 0 H GLY A 15 1.164 -10.147 -7.315 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.634 -8.862 -6.194 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.235 -8.227 -7.712 1.00 0.00 H new ATOM 236 N PHE A 16 0.337 -7.171 -6.552 1.00 0.00 N ATOM 237 CA PHE A 16 -0.516 -5.987 -6.545 1.00 0.00 C ATOM 238 C PHE A 16 -1.667 -6.153 -5.559 1.00 0.00 C ATOM 239 O PHE A 16 -2.219 -7.242 -5.408 1.00 0.00 O ATOM 240 CB PHE A 16 -1.058 -5.709 -7.948 1.00 0.00 C ATOM 241 CG PHE A 16 -1.922 -4.484 -8.032 1.00 0.00 C ATOM 242 CD1 PHE A 16 -1.356 -3.222 -8.131 1.00 0.00 C ATOM 243 CD2 PHE A 16 -3.305 -4.590 -8.010 1.00 0.00 C ATOM 244 CE1 PHE A 16 -2.151 -2.095 -8.208 1.00 0.00 C ATOM 245 CE2 PHE A 16 -4.103 -3.465 -8.087 1.00 0.00 C ATOM 246 CZ PHE A 16 -3.524 -2.216 -8.186 1.00 0.00 C ATOM 0 H PHE A 16 -0.140 -8.037 -6.300 1.00 0.00 H new ATOM 0 HA PHE A 16 0.088 -5.137 -6.228 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.220 -5.599 -8.636 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -1.634 -6.572 -8.283 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.281 -3.119 -8.148 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.764 -5.565 -7.932 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.697 -1.118 -8.285 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -5.178 -3.563 -8.070 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.146 -1.335 -8.246 1.00 0.00 H new ATOM 256 N GLY A 17 -2.026 -5.062 -4.887 1.00 0.00 N ATOM 257 CA GLY A 17 -3.080 -5.117 -3.891 1.00 0.00 C ATOM 258 C GLY A 17 -3.681 -3.755 -3.609 1.00 0.00 C ATOM 259 O GLY A 17 -3.276 -2.754 -4.201 1.00 0.00 O ATOM 0 H GLY A 17 -1.605 -4.142 -5.015 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.864 -5.793 -4.233 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.681 -5.533 -2.966 1.00 0.00 H new ATOM 263 N PHE A 18 -4.653 -3.715 -2.703 1.00 0.00 N ATOM 264 CA PHE A 18 -5.420 -2.500 -2.458 1.00 0.00 C ATOM 265 C PHE A 18 -5.525 -2.214 -0.962 1.00 0.00 C ATOM 266 O PHE A 18 -5.802 -3.111 -0.167 1.00 0.00 O ATOM 267 CB PHE A 18 -6.815 -2.614 -3.073 1.00 0.00 C ATOM 268 CG PHE A 18 -7.755 -1.520 -2.654 1.00 0.00 C ATOM 269 CD1 PHE A 18 -7.553 -0.213 -3.073 1.00 0.00 C ATOM 270 CD2 PHE A 18 -8.842 -1.794 -1.837 1.00 0.00 C ATOM 271 CE1 PHE A 18 -8.418 0.794 -2.687 1.00 0.00 C ATOM 272 CE2 PHE A 18 -9.707 -0.789 -1.450 1.00 0.00 C ATOM 273 CZ PHE A 18 -9.494 0.507 -1.876 1.00 0.00 C ATOM 0 H PHE A 18 -4.928 -4.510 -2.127 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.896 -1.669 -2.930 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -6.724 -2.606 -4.159 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -7.246 -3.576 -2.796 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -6.711 0.020 -3.708 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -9.014 -2.805 -1.499 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -8.250 1.807 -3.022 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -10.550 -1.017 -0.814 1.00 0.00 H new ATOM 0 HZ PHE A 18 -10.169 1.294 -1.574 1.00 0.00 H new ATOM 283 N ILE A 19 -5.300 -0.959 -0.588 1.00 0.00 N ATOM 284 CA ILE A 19 -5.214 -0.585 0.818 1.00 0.00 C ATOM 285 C ILE A 19 -6.099 0.618 1.123 1.00 0.00 C ATOM 286 O ILE A 19 -6.183 1.557 0.332 1.00 0.00 O ATOM 287 CB ILE A 19 -3.765 -0.264 1.229 1.00 0.00 C ATOM 288 CG1 ILE A 19 -2.878 -1.501 1.068 1.00 0.00 C ATOM 289 CG2 ILE A 19 -3.720 0.244 2.662 1.00 0.00 C ATOM 290 CD1 ILE A 19 -1.404 -1.223 1.253 1.00 0.00 C ATOM 0 H ILE A 19 -5.174 -0.184 -1.239 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.563 -1.442 1.394 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.384 0.520 0.574 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.189 -2.256 1.790 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.037 -1.924 0.076 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.689 0.466 2.937 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.321 1.149 2.746 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.118 -0.519 3.331 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.840 -2.147 1.124 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.076 -0.492 0.514 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.231 -0.829 2.255 1.00 0.00 H new ATOM 302 N LYS A 20 -6.758 0.584 2.276 1.00 0.00 N ATOM 303 CA LYS A 20 -7.607 1.689 2.704 1.00 0.00 C ATOM 304 C LYS A 20 -6.929 2.502 3.803 1.00 0.00 C ATOM 305 O LYS A 20 -6.544 1.962 4.840 1.00 0.00 O ATOM 306 CB LYS A 20 -8.961 1.168 3.192 1.00 0.00 C ATOM 307 CG LYS A 20 -9.809 0.512 2.110 1.00 0.00 C ATOM 308 CD LYS A 20 -11.130 0.010 2.672 1.00 0.00 C ATOM 309 CE LYS A 20 -11.983 -0.635 1.590 1.00 0.00 C ATOM 310 NZ LYS A 20 -13.286 -1.117 2.121 1.00 0.00 N ATOM 0 H LYS A 20 -6.720 -0.197 2.931 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.771 2.340 1.846 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.792 0.447 3.992 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -9.522 1.997 3.623 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -10.000 1.228 1.311 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.260 -0.320 1.669 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.939 -0.712 3.466 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.675 0.840 3.121 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.161 0.085 0.791 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -11.439 -1.471 1.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -13.836 -1.549 1.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -13.118 -1.823 2.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -13.817 -0.316 2.518 1.00 0.00 H new ATOM 324 N ASP A 21 -6.786 3.801 3.569 1.00 0.00 N ATOM 325 CA ASP A 21 -6.120 4.682 4.520 1.00 0.00 C ATOM 326 C ASP A 21 -7.062 5.061 5.660 1.00 0.00 C ATOM 327 O ASP A 21 -8.234 5.358 5.436 1.00 0.00 O ATOM 328 CB ASP A 21 -5.606 5.942 3.820 1.00 0.00 C ATOM 329 CG ASP A 21 -4.724 6.830 4.689 1.00 0.00 C ATOM 330 OD1 ASP A 21 -4.614 6.558 5.861 1.00 0.00 O ATOM 331 OD2 ASP A 21 -4.047 7.671 4.149 1.00 0.00 O ATOM 0 H ASP A 21 -7.123 4.268 2.727 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.270 4.144 4.938 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.043 5.647 2.935 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.460 6.525 3.475 1.00 0.00 H new ATOM 336 N GLU A 22 -6.539 5.046 6.883 1.00 0.00 N ATOM 337 CA GLU A 22 -7.289 5.519 8.040 1.00 0.00 C ATOM 338 C GLU A 22 -7.711 6.974 7.857 1.00 0.00 C ATOM 339 O GLU A 22 -8.600 7.465 8.552 1.00 0.00 O ATOM 340 CB GLU A 22 -6.460 5.365 9.317 1.00 0.00 C ATOM 341 CG GLU A 22 -6.256 3.924 9.765 1.00 0.00 C ATOM 342 CD GLU A 22 -5.368 3.849 10.975 1.00 0.00 C ATOM 343 OE1 GLU A 22 -4.873 4.869 11.390 1.00 0.00 O ATOM 344 OE2 GLU A 22 -5.275 2.791 11.553 1.00 0.00 O ATOM 0 H GLU A 22 -5.600 4.712 7.097 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.188 4.910 8.131 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.485 5.825 9.160 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.947 5.917 10.121 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.221 3.471 9.991 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.816 3.347 8.952 1.00 0.00 H new ATOM 351 N ASN A 23 -7.065 7.657 6.918 1.00 0.00 N ATOM 352 CA ASN A 23 -7.415 9.038 6.602 1.00 0.00 C ATOM 353 C ASN A 23 -8.602 9.093 5.645 1.00 0.00 C ATOM 354 O ASN A 23 -9.075 10.173 5.290 1.00 0.00 O ATOM 355 CB ASN A 23 -6.232 9.792 6.021 1.00 0.00 C ATOM 356 CG ASN A 23 -5.104 9.992 6.994 1.00 0.00 C ATOM 357 OD1 ASN A 23 -5.270 10.617 8.048 1.00 0.00 O ATOM 358 ND2 ASN A 23 -3.940 9.535 6.610 1.00 0.00 N ATOM 0 H ASN A 23 -6.298 7.278 6.363 1.00 0.00 H new ATOM 0 HA ASN A 23 -7.698 9.525 7.535 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.858 9.250 5.152 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -6.572 10.766 5.667 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -3.115 9.689 7.190 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -3.857 9.025 5.731 1.00 0.00 H new ATOM 365 N GLY A 24 -9.078 7.923 5.232 1.00 0.00 N ATOM 366 CA GLY A 24 -10.278 7.856 4.418 1.00 0.00 C ATOM 367 C GLY A 24 -9.972 7.836 2.934 1.00 0.00 C ATOM 368 O GLY A 24 -10.879 7.739 2.107 1.00 0.00 O ATOM 0 H GLY A 24 -8.654 7.020 5.446 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -10.842 6.961 4.681 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.914 8.712 4.643 1.00 0.00 H new ATOM 372 N ASP A 25 -8.690 7.927 2.595 1.00 0.00 N ATOM 373 CA ASP A 25 -8.262 7.876 1.202 1.00 0.00 C ATOM 374 C ASP A 25 -8.017 6.436 0.761 1.00 0.00 C ATOM 375 O ASP A 25 -7.239 5.711 1.380 1.00 0.00 O ATOM 376 CB ASP A 25 -6.999 8.714 0.995 1.00 0.00 C ATOM 377 CG ASP A 25 -7.225 10.218 1.059 1.00 0.00 C ATOM 378 OD1 ASP A 25 -8.356 10.634 0.981 1.00 0.00 O ATOM 379 OD2 ASP A 25 -6.288 10.928 1.341 1.00 0.00 O ATOM 0 H ASP A 25 -7.930 8.036 3.266 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.061 8.293 0.589 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.265 8.437 1.752 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -6.567 8.465 0.026 1.00 0.00 H new ATOM 384 N ASN A 26 -8.689 6.028 -0.310 1.00 0.00 N ATOM 385 CA ASN A 26 -8.561 4.668 -0.820 1.00 0.00 C ATOM 386 C ASN A 26 -7.604 4.618 -2.005 1.00 0.00 C ATOM 387 O ASN A 26 -7.801 5.309 -3.006 1.00 0.00 O ATOM 388 CB ASN A 26 -9.911 4.090 -1.207 1.00 0.00 C ATOM 389 CG ASN A 26 -10.839 3.886 -0.042 1.00 0.00 C ATOM 390 OD1 ASN A 26 -10.403 3.698 1.099 1.00 0.00 O ATOM 391 ND2 ASN A 26 -12.113 3.840 -0.337 1.00 0.00 N ATOM 0 H ASN A 26 -9.328 6.620 -0.842 1.00 0.00 H new ATOM 0 HA ASN A 26 -8.150 4.057 -0.016 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -10.388 4.755 -1.927 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -9.757 3.135 -1.709 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -12.798 3.641 0.392 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -12.421 4.003 -1.296 1.00 0.00 H new ATOM 398 N ARG A 27 -6.566 3.797 -1.886 1.00 0.00 N ATOM 399 CA ARG A 27 -5.456 3.826 -2.833 1.00 0.00 C ATOM 400 C ARG A 27 -5.004 2.411 -3.183 1.00 0.00 C ATOM 401 O ARG A 27 -5.098 1.498 -2.363 1.00 0.00 O ATOM 402 CB ARG A 27 -4.297 4.677 -2.336 1.00 0.00 C ATOM 403 CG ARG A 27 -4.631 6.144 -2.114 1.00 0.00 C ATOM 404 CD ARG A 27 -4.920 6.901 -3.360 1.00 0.00 C ATOM 405 NE ARG A 27 -5.134 8.326 -3.163 1.00 0.00 N ATOM 406 CZ ARG A 27 -6.326 8.889 -2.881 1.00 0.00 C ATOM 407 NH1 ARG A 27 -7.416 8.159 -2.801 1.00 0.00 N ATOM 408 NH2 ARG A 27 -6.373 10.199 -2.713 1.00 0.00 N ATOM 0 H ARG A 27 -6.470 3.104 -1.144 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.819 4.300 -3.745 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -3.932 4.256 -1.399 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.481 4.610 -3.055 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.495 6.212 -1.453 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.797 6.620 -1.598 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.091 6.763 -4.054 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -5.805 6.475 -3.832 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.326 8.943 -3.244 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -7.367 7.152 -2.953 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.310 8.600 -2.587 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.522 10.755 -2.798 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -7.260 10.654 -2.499 1.00 0.00 H new ATOM 422 N TYR A 28 -4.516 2.237 -4.406 1.00 0.00 N ATOM 423 CA TYR A 28 -3.928 0.969 -4.821 1.00 0.00 C ATOM 424 C TYR A 28 -2.405 1.019 -4.733 1.00 0.00 C ATOM 425 O TYR A 28 -1.787 2.040 -5.035 1.00 0.00 O ATOM 426 CB TYR A 28 -4.363 0.618 -6.246 1.00 0.00 C ATOM 427 CG TYR A 28 -5.828 0.263 -6.370 1.00 0.00 C ATOM 428 CD1 TYR A 28 -6.258 -1.047 -6.216 1.00 0.00 C ATOM 429 CD2 TYR A 28 -6.778 1.237 -6.642 1.00 0.00 C ATOM 430 CE1 TYR A 28 -7.594 -1.377 -6.327 1.00 0.00 C ATOM 431 CE2 TYR A 28 -8.117 0.918 -6.755 1.00 0.00 C ATOM 432 CZ TYR A 28 -8.521 -0.391 -6.598 1.00 0.00 C ATOM 433 OH TYR A 28 -9.854 -0.716 -6.711 1.00 0.00 O ATOM 0 H TYR A 28 -4.516 2.958 -5.127 1.00 0.00 H new ATOM 0 HA TYR A 28 -4.285 0.194 -4.143 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -4.148 1.463 -6.900 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -3.765 -0.221 -6.602 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -5.535 -1.822 -6.006 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -6.465 2.263 -6.768 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -7.912 -2.402 -6.202 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -8.843 1.689 -6.965 1.00 0.00 H new ATOM 0 HH TYR A 28 -10.373 0.093 -6.902 1.00 0.00 H new ATOM 443 N PHE A 29 -1.807 -0.092 -4.317 1.00 0.00 N ATOM 444 CA PHE A 29 -0.365 -0.148 -4.100 1.00 0.00 C ATOM 445 C PHE A 29 0.238 -1.379 -4.772 1.00 0.00 C ATOM 446 O PHE A 29 -0.391 -2.436 -4.833 1.00 0.00 O ATOM 447 CB PHE A 29 -0.050 -0.155 -2.603 1.00 0.00 C ATOM 448 CG PHE A 29 -0.424 1.119 -1.899 1.00 0.00 C ATOM 449 CD1 PHE A 29 0.481 2.165 -1.797 1.00 0.00 C ATOM 450 CD2 PHE A 29 -1.683 1.273 -1.338 1.00 0.00 C ATOM 451 CE1 PHE A 29 0.139 3.336 -1.150 1.00 0.00 C ATOM 452 CE2 PHE A 29 -2.028 2.445 -0.690 1.00 0.00 C ATOM 453 CZ PHE A 29 -1.118 3.475 -0.596 1.00 0.00 C ATOM 0 H PHE A 29 -2.297 -0.965 -4.123 1.00 0.00 H new ATOM 0 HA PHE A 29 0.080 0.740 -4.548 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.577 -0.986 -2.134 1.00 0.00 H new ATOM 0 HB3 PHE A 29 1.016 -0.335 -2.466 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.466 2.062 -2.229 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.401 0.469 -1.408 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.854 4.142 -1.077 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.012 2.553 -0.257 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.388 4.390 -0.090 1.00 0.00 H new ATOM 463 N HIS A 30 1.460 -1.231 -5.275 1.00 0.00 N ATOM 464 CA HIS A 30 2.169 -2.343 -5.895 1.00 0.00 C ATOM 465 C HIS A 30 3.366 -2.764 -5.047 1.00 0.00 C ATOM 466 O HIS A 30 4.020 -1.931 -4.421 1.00 0.00 O ATOM 467 CB HIS A 30 2.631 -1.974 -7.309 1.00 0.00 C ATOM 468 CG HIS A 30 2.979 -3.157 -8.157 1.00 0.00 C ATOM 469 ND1 HIS A 30 4.150 -3.868 -7.997 1.00 0.00 N ATOM 470 CD2 HIS A 30 2.311 -3.753 -9.173 1.00 0.00 C ATOM 471 CE1 HIS A 30 4.186 -4.852 -8.880 1.00 0.00 C ATOM 472 NE2 HIS A 30 3.083 -4.803 -9.604 1.00 0.00 N ATOM 0 H HIS A 30 1.978 -0.353 -5.265 1.00 0.00 H new ATOM 0 HA HIS A 30 1.478 -3.183 -5.963 1.00 0.00 H new ATOM 0 HB2 HIS A 30 1.843 -1.404 -7.802 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.501 -1.320 -7.238 1.00 0.00 H new ATOM 0 HD2 HIS A 30 1.351 -3.458 -9.570 1.00 0.00 H new ATOM 0 HE1 HIS A 30 4.982 -5.573 -8.990 1.00 0.00 H new ATOM 0 HE2 HIS A 30 2.843 -5.442 -10.362 1.00 0.00 H new ATOM 479 N VAL A 31 3.645 -4.064 -5.031 1.00 0.00 N ATOM 480 CA VAL A 31 4.652 -4.618 -4.134 1.00 0.00 C ATOM 481 C VAL A 31 6.023 -4.006 -4.402 1.00 0.00 C ATOM 482 O VAL A 31 6.895 -4.011 -3.534 1.00 0.00 O ATOM 483 CB VAL A 31 4.748 -6.150 -4.270 1.00 0.00 C ATOM 484 CG1 VAL A 31 3.410 -6.797 -3.946 1.00 0.00 C ATOM 485 CG2 VAL A 31 5.198 -6.534 -5.671 1.00 0.00 C ATOM 0 H VAL A 31 3.188 -4.752 -5.629 1.00 0.00 H new ATOM 0 HA VAL A 31 4.340 -4.372 -3.119 1.00 0.00 H new ATOM 0 HB VAL A 31 5.490 -6.513 -3.558 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.495 -7.879 -4.047 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.124 -6.549 -2.924 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.651 -6.427 -4.635 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.260 -7.619 -5.748 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.479 -6.159 -6.400 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.177 -6.099 -5.870 1.00 0.00 H new ATOM 495 N ILE A 32 6.205 -3.479 -5.608 1.00 0.00 N ATOM 496 CA ILE A 32 7.460 -2.840 -5.980 1.00 0.00 C ATOM 497 C ILE A 32 7.732 -1.616 -5.114 1.00 0.00 C ATOM 498 O ILE A 32 8.884 -1.279 -4.839 1.00 0.00 O ATOM 499 CB ILE A 32 7.462 -2.421 -7.461 1.00 0.00 C ATOM 500 CG1 ILE A 32 7.565 -3.654 -8.365 1.00 0.00 C ATOM 501 CG2 ILE A 32 8.606 -1.458 -7.740 1.00 0.00 C ATOM 502 CD1 ILE A 32 7.306 -3.362 -9.826 1.00 0.00 C ATOM 0 H ILE A 32 5.499 -3.482 -6.344 1.00 0.00 H new ATOM 0 HA ILE A 32 8.248 -3.576 -5.820 1.00 0.00 H new ATOM 0 HB ILE A 32 6.523 -1.912 -7.678 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.560 -4.087 -8.261 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.853 -4.405 -8.022 1.00 0.00 H new ATOM 0 HG21 ILE A 32 8.593 -1.172 -8.792 1.00 0.00 H new ATOM 0 HG22 ILE A 32 8.492 -0.568 -7.121 1.00 0.00 H new ATOM 0 HG23 ILE A 32 9.554 -1.943 -7.508 1.00 0.00 H new ATOM 0 HD11 ILE A 32 7.397 -4.283 -10.403 1.00 0.00 H new ATOM 0 HD12 ILE A 32 6.301 -2.958 -9.944 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.034 -2.635 -10.186 1.00 0.00 H new ATOM 514 N LYS A 33 6.664 -0.954 -4.681 1.00 0.00 N ATOM 515 CA LYS A 33 6.787 0.257 -3.880 1.00 0.00 C ATOM 516 C LYS A 33 6.814 -0.074 -2.392 1.00 0.00 C ATOM 517 O LYS A 33 6.787 0.820 -1.546 1.00 0.00 O ATOM 518 CB LYS A 33 5.639 1.222 -4.186 1.00 0.00 C ATOM 519 CG LYS A 33 5.548 1.648 -5.646 1.00 0.00 C ATOM 520 CD LYS A 33 6.824 2.338 -6.102 1.00 0.00 C ATOM 521 CE LYS A 33 6.717 2.804 -7.546 1.00 0.00 C ATOM 522 NZ LYS A 33 7.961 3.476 -8.008 1.00 0.00 N ATOM 0 H LYS A 33 5.703 -1.237 -4.872 1.00 0.00 H new ATOM 0 HA LYS A 33 7.729 0.739 -4.141 1.00 0.00 H new ATOM 0 HB2 LYS A 33 4.699 0.752 -3.898 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.753 2.112 -3.567 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.361 0.774 -6.271 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.701 2.321 -5.778 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.028 3.192 -5.457 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.666 1.653 -6.000 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.507 1.949 -8.188 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.876 3.491 -7.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.846 3.778 -8.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 8.149 4.307 -7.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.760 2.813 -7.939 1.00 0.00 H new ATOM 536 N VAL A 34 6.869 -1.365 -2.078 1.00 0.00 N ATOM 537 CA VAL A 34 6.892 -1.815 -0.692 1.00 0.00 C ATOM 538 C VAL A 34 8.309 -2.168 -0.252 1.00 0.00 C ATOM 539 O VAL A 34 8.963 -3.018 -0.857 1.00 0.00 O ATOM 540 CB VAL A 34 5.978 -3.035 -0.477 1.00 0.00 C ATOM 541 CG1 VAL A 34 5.981 -3.452 0.986 1.00 0.00 C ATOM 542 CG2 VAL A 34 4.562 -2.728 -0.940 1.00 0.00 C ATOM 0 H VAL A 34 6.898 -2.118 -2.766 1.00 0.00 H new ATOM 0 HA VAL A 34 6.522 -0.987 -0.087 1.00 0.00 H new ATOM 0 HB VAL A 34 6.363 -3.863 -1.072 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.330 -4.316 1.119 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.995 -3.712 1.288 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.620 -2.627 1.600 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.930 -3.601 -0.781 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.168 -1.886 -0.371 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.572 -2.476 -2.000 1.00 0.00 H new ATOM 552 N ALA A 35 8.778 -1.510 0.803 1.00 0.00 N ATOM 553 CA ALA A 35 10.140 -1.708 1.282 1.00 0.00 C ATOM 554 C ALA A 35 10.315 -3.101 1.877 1.00 0.00 C ATOM 555 O ALA A 35 11.353 -3.737 1.695 1.00 0.00 O ATOM 556 CB ALA A 35 10.497 -0.643 2.310 1.00 0.00 C ATOM 0 H ALA A 35 8.235 -0.835 1.342 1.00 0.00 H new ATOM 0 HA ALA A 35 10.816 -1.618 0.432 1.00 0.00 H new ATOM 0 HB1 ALA A 35 11.517 -0.802 2.660 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.420 0.344 1.853 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.810 -0.707 3.154 1.00 0.00 H new ATOM 562 N ASN A 36 9.296 -3.568 2.590 1.00 0.00 N ATOM 563 CA ASN A 36 9.264 -4.945 3.067 1.00 0.00 C ATOM 564 C ASN A 36 8.979 -5.912 1.922 1.00 0.00 C ATOM 565 O ASN A 36 8.375 -5.555 0.910 1.00 0.00 O ATOM 566 CB ASN A 36 8.244 -5.126 4.177 1.00 0.00 C ATOM 567 CG ASN A 36 8.646 -4.488 5.478 1.00 0.00 C ATOM 568 OD1 ASN A 36 9.804 -4.102 5.671 1.00 0.00 O ATOM 569 ND2 ASN A 36 7.717 -4.452 6.399 1.00 0.00 N ATOM 0 H ASN A 36 8.481 -3.013 2.850 1.00 0.00 H new ATOM 0 HA ASN A 36 10.249 -5.171 3.475 1.00 0.00 H new ATOM 0 HB2 ASN A 36 7.292 -4.705 3.855 1.00 0.00 H new ATOM 0 HB3 ASN A 36 8.083 -6.192 4.340 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.934 -4.093 7.329 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.776 -4.783 6.187 1.00 0.00 H new ATOM 576 N PRO A 37 9.422 -7.168 2.083 1.00 0.00 N ATOM 577 CA PRO A 37 9.385 -8.165 1.008 1.00 0.00 C ATOM 578 C PRO A 37 7.990 -8.324 0.412 1.00 0.00 C ATOM 579 O PRO A 37 6.994 -8.339 1.136 1.00 0.00 O ATOM 580 CB PRO A 37 9.864 -9.454 1.683 1.00 0.00 C ATOM 581 CG PRO A 37 10.807 -8.991 2.740 1.00 0.00 C ATOM 582 CD PRO A 37 10.226 -7.701 3.255 1.00 0.00 C ATOM 0 HA PRO A 37 10.009 -7.877 0.161 1.00 0.00 H new ATOM 0 HB2 PRO A 37 9.031 -10.012 2.111 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.358 -10.115 0.971 1.00 0.00 H new ATOM 0 HG2 PRO A 37 10.896 -9.728 3.538 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.807 -8.838 2.335 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.596 -7.868 4.129 1.00 0.00 H new ATOM 0 HD3 PRO A 37 11.007 -7.002 3.554 1.00 0.00 H new ATOM 590 N ASP A 38 7.926 -8.441 -0.909 1.00 0.00 N ATOM 591 CA ASP A 38 6.660 -8.671 -1.596 1.00 0.00 C ATOM 592 C ASP A 38 6.025 -9.981 -1.141 1.00 0.00 C ATOM 593 O ASP A 38 4.883 -10.284 -1.487 1.00 0.00 O ATOM 594 CB ASP A 38 6.864 -8.682 -3.113 1.00 0.00 C ATOM 595 CG ASP A 38 7.775 -9.794 -3.616 1.00 0.00 C ATOM 596 OD1 ASP A 38 8.195 -10.599 -2.819 1.00 0.00 O ATOM 597 OD2 ASP A 38 7.916 -9.925 -4.809 1.00 0.00 O ATOM 0 H ASP A 38 8.736 -8.380 -1.526 1.00 0.00 H new ATOM 0 HA ASP A 38 5.985 -7.854 -1.340 1.00 0.00 H new ATOM 0 HB2 ASP A 38 5.892 -8.778 -3.598 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.280 -7.722 -3.419 1.00 0.00 H new ATOM 602 N LEU A 39 6.774 -10.757 -0.364 1.00 0.00 N ATOM 603 CA LEU A 39 6.272 -12.020 0.169 1.00 0.00 C ATOM 604 C LEU A 39 5.492 -11.793 1.460 1.00 0.00 C ATOM 605 O LEU A 39 4.939 -12.733 2.035 1.00 0.00 O ATOM 606 CB LEU A 39 7.432 -12.994 0.407 1.00 0.00 C ATOM 607 CG LEU A 39 8.212 -13.400 -0.849 1.00 0.00 C ATOM 608 CD1 LEU A 39 9.404 -14.266 -0.466 1.00 0.00 C ATOM 609 CD2 LEU A 39 7.290 -14.144 -1.804 1.00 0.00 C ATOM 0 H LEU A 39 7.731 -10.534 -0.089 1.00 0.00 H new ATOM 0 HA LEU A 39 5.594 -12.456 -0.564 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.126 -12.541 1.116 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.038 -13.895 0.878 1.00 0.00 H new ATOM 0 HG LEU A 39 8.586 -12.506 -1.349 1.00 0.00 H new ATOM 0 HD11 LEU A 39 9.952 -14.549 -1.365 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.062 -13.706 0.198 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.053 -15.164 0.043 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.846 -14.432 -2.696 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.903 -15.037 -1.314 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.460 -13.497 -2.087 1.00 0.00 H new ATOM 621 N ILE A 40 5.450 -10.544 1.908 1.00 0.00 N ATOM 622 CA ILE A 40 4.847 -10.215 3.195 1.00 0.00 C ATOM 623 C ILE A 40 3.488 -9.550 3.011 1.00 0.00 C ATOM 624 O ILE A 40 3.396 -8.429 2.513 1.00 0.00 O ATOM 625 CB ILE A 40 5.755 -9.287 4.024 1.00 0.00 C ATOM 626 CG1 ILE A 40 7.133 -9.925 4.218 1.00 0.00 C ATOM 627 CG2 ILE A 40 5.113 -8.977 5.367 1.00 0.00 C ATOM 628 CD1 ILE A 40 7.095 -11.255 4.935 1.00 0.00 C ATOM 0 H ILE A 40 5.826 -9.743 1.400 1.00 0.00 H new ATOM 0 HA ILE A 40 4.719 -11.155 3.732 1.00 0.00 H new ATOM 0 HB ILE A 40 5.883 -8.350 3.482 1.00 0.00 H new ATOM 0 HG12 ILE A 40 7.600 -10.062 3.243 1.00 0.00 H new ATOM 0 HG13 ILE A 40 7.765 -9.238 4.780 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.767 -8.320 5.940 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.154 -8.484 5.207 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.956 -9.904 5.918 1.00 0.00 H new ATOM 0 HD11 ILE A 40 8.108 -11.644 5.035 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.658 -11.122 5.925 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.491 -11.959 4.363 1.00 0.00 H new ATOM 640 N LYS A 41 2.435 -10.247 3.420 1.00 0.00 N ATOM 641 CA LYS A 41 1.101 -9.658 3.478 1.00 0.00 C ATOM 642 C LYS A 41 0.491 -9.829 4.866 1.00 0.00 C ATOM 643 O LYS A 41 0.625 -10.883 5.489 1.00 0.00 O ATOM 644 CB LYS A 41 0.191 -10.285 2.420 1.00 0.00 C ATOM 645 CG LYS A 41 -0.150 -11.748 2.670 1.00 0.00 C ATOM 646 CD LYS A 41 -1.106 -12.282 1.614 1.00 0.00 C ATOM 647 CE LYS A 41 -1.485 -13.730 1.891 1.00 0.00 C ATOM 648 NZ LYS A 41 -2.395 -14.276 0.848 1.00 0.00 N ATOM 0 H LYS A 41 2.478 -11.222 3.717 1.00 0.00 H new ATOM 0 HA LYS A 41 1.194 -8.592 3.272 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.735 -9.712 2.369 1.00 0.00 H new ATOM 0 HB3 LYS A 41 0.673 -10.198 1.446 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.764 -12.342 2.669 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.599 -11.855 3.657 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.005 -11.667 1.591 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.643 -12.207 0.630 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.582 -14.339 1.939 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.968 -13.799 2.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.629 -15.264 1.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.268 -13.711 0.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.925 -14.235 -0.079 1.00 0.00 H new ATOM 662 N LYS A 42 -0.181 -8.788 5.343 1.00 0.00 N ATOM 663 CA LYS A 42 -0.913 -8.861 6.603 1.00 0.00 C ATOM 664 C LYS A 42 -1.852 -7.669 6.756 1.00 0.00 C ATOM 665 O LYS A 42 -1.469 -6.527 6.494 1.00 0.00 O ATOM 666 CB LYS A 42 0.057 -8.926 7.785 1.00 0.00 C ATOM 667 CG LYS A 42 -0.611 -9.153 9.134 1.00 0.00 C ATOM 668 CD LYS A 42 -1.204 -10.551 9.229 1.00 0.00 C ATOM 669 CE LYS A 42 -1.876 -10.777 10.577 1.00 0.00 C ATOM 670 NZ LYS A 42 -2.482 -12.133 10.675 1.00 0.00 N ATOM 0 H LYS A 42 -0.235 -7.883 4.876 1.00 0.00 H new ATOM 0 HA LYS A 42 -1.513 -9.771 6.593 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.773 -9.728 7.608 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.624 -7.996 7.826 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.118 -9.010 9.932 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.396 -8.412 9.283 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.931 -10.695 8.429 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -0.418 -11.292 9.083 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.143 -10.648 11.374 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.648 -10.023 10.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.929 -12.247 11.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.199 -12.247 9.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -1.742 -12.854 10.556 1.00 0.00 H new ATOM 684 N ASP A 43 -3.079 -7.939 7.184 1.00 0.00 N ATOM 685 CA ASP A 43 -4.151 -6.953 7.107 1.00 0.00 C ATOM 686 C ASP A 43 -4.220 -6.123 8.385 1.00 0.00 C ATOM 687 O ASP A 43 -5.025 -5.200 8.494 1.00 0.00 O ATOM 688 CB ASP A 43 -5.495 -7.638 6.847 1.00 0.00 C ATOM 689 CG ASP A 43 -5.950 -8.571 7.961 1.00 0.00 C ATOM 690 OD1 ASP A 43 -5.224 -8.725 8.915 1.00 0.00 O ATOM 691 OD2 ASP A 43 -7.079 -8.998 7.927 1.00 0.00 O ATOM 0 H ASP A 43 -3.357 -8.833 7.588 1.00 0.00 H new ATOM 0 HA ASP A 43 -3.934 -6.284 6.275 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.256 -6.873 6.697 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -5.426 -8.206 5.919 1.00 0.00 H new ATOM 696 N ALA A 44 -3.370 -6.461 9.349 1.00 0.00 N ATOM 697 CA ALA A 44 -3.523 -5.961 10.710 1.00 0.00 C ATOM 698 C ALA A 44 -2.817 -4.621 10.886 1.00 0.00 C ATOM 699 O ALA A 44 -2.892 -4.004 11.946 1.00 0.00 O ATOM 700 CB ALA A 44 -2.987 -6.978 11.707 1.00 0.00 C ATOM 0 H ALA A 44 -2.569 -7.078 9.213 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.586 -5.808 10.898 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.107 -6.593 12.720 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.539 -7.912 11.606 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.930 -7.158 11.510 1.00 0.00 H new ATOM 706 N ALA A 45 -2.130 -4.178 9.836 1.00 0.00 N ATOM 707 CA ALA A 45 -1.319 -2.969 9.911 1.00 0.00 C ATOM 708 C ALA A 45 -0.530 -2.757 8.623 1.00 0.00 C ATOM 709 O ALA A 45 0.196 -3.643 8.176 1.00 0.00 O ATOM 710 CB ALA A 45 -0.377 -3.039 11.104 1.00 0.00 C ATOM 0 H ALA A 45 -2.120 -4.638 8.926 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.989 -2.119 10.040 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.223 -2.130 11.148 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.958 -3.135 12.021 1.00 0.00 H new ATOM 0 HB3 ALA A 45 0.280 -3.902 10.999 1.00 0.00 H new ATOM 716 N VAL A 46 -0.680 -1.576 8.031 1.00 0.00 N ATOM 717 CA VAL A 46 0.242 -1.115 7.001 1.00 0.00 C ATOM 718 C VAL A 46 0.584 0.358 7.189 1.00 0.00 C ATOM 719 O VAL A 46 -0.253 1.152 7.620 1.00 0.00 O ATOM 720 CB VAL A 46 -0.337 -1.323 5.589 1.00 0.00 C ATOM 721 CG1 VAL A 46 0.618 -0.782 4.536 1.00 0.00 C ATOM 722 CG2 VAL A 46 -0.620 -2.796 5.341 1.00 0.00 C ATOM 0 H VAL A 46 -1.432 -0.921 8.248 1.00 0.00 H new ATOM 0 HA VAL A 46 1.149 -1.711 7.101 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.276 -0.774 5.519 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.193 -0.938 3.545 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.775 0.284 4.700 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.572 -1.304 4.607 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.029 -2.924 4.339 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.306 -3.365 5.431 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.340 -3.157 6.075 1.00 0.00 H new ATOM 732 N THR A 47 1.822 0.721 6.861 1.00 0.00 N ATOM 733 CA THR A 47 2.224 2.120 6.828 1.00 0.00 C ATOM 734 C THR A 47 2.761 2.505 5.454 1.00 0.00 C ATOM 735 O THR A 47 3.491 1.739 4.824 1.00 0.00 O ATOM 736 CB THR A 47 3.296 2.425 7.891 1.00 0.00 C ATOM 737 OG1 THR A 47 2.797 2.078 9.190 1.00 0.00 O ATOM 738 CG2 THR A 47 3.663 3.900 7.870 1.00 0.00 C ATOM 0 H THR A 47 2.562 0.064 6.615 1.00 0.00 H new ATOM 0 HA THR A 47 1.333 2.709 7.045 1.00 0.00 H new ATOM 0 HB THR A 47 4.186 1.837 7.667 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.081 2.698 9.442 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.422 4.097 8.628 1.00 0.00 H new ATOM 0 HG22 THR A 47 4.054 4.164 6.887 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.777 4.499 8.080 1.00 0.00 H new ATOM 746 N PHE A 48 2.396 3.697 4.995 1.00 0.00 N ATOM 747 CA PHE A 48 2.715 4.123 3.635 1.00 0.00 C ATOM 748 C PHE A 48 2.695 5.645 3.525 1.00 0.00 C ATOM 749 O PHE A 48 2.252 6.338 4.440 1.00 0.00 O ATOM 750 CB PHE A 48 1.733 3.508 2.636 1.00 0.00 C ATOM 751 CG PHE A 48 0.291 3.758 2.972 1.00 0.00 C ATOM 752 CD1 PHE A 48 -0.353 4.901 2.518 1.00 0.00 C ATOM 753 CD2 PHE A 48 -0.425 2.854 3.740 1.00 0.00 C ATOM 754 CE1 PHE A 48 -1.681 5.132 2.825 1.00 0.00 C ATOM 755 CE2 PHE A 48 -1.752 3.082 4.048 1.00 0.00 C ATOM 756 CZ PHE A 48 -2.381 4.223 3.590 1.00 0.00 C ATOM 0 H PHE A 48 1.880 4.385 5.543 1.00 0.00 H new ATOM 0 HA PHE A 48 3.720 3.774 3.398 1.00 0.00 H new ATOM 0 HB2 PHE A 48 1.940 3.909 1.644 1.00 0.00 H new ATOM 0 HB3 PHE A 48 1.904 2.433 2.588 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.189 5.617 1.919 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.061 1.960 4.102 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.171 6.025 2.465 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -2.298 2.368 4.647 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.418 4.403 3.830 1.00 0.00 H new ATOM 766 N GLU A 49 3.178 6.155 2.396 1.00 0.00 N ATOM 767 CA GLU A 49 3.141 7.589 2.130 1.00 0.00 C ATOM 768 C GLU A 49 1.885 7.965 1.348 1.00 0.00 C ATOM 769 O GLU A 49 1.333 7.166 0.591 1.00 0.00 O ATOM 770 CB GLU A 49 4.391 8.025 1.364 1.00 0.00 C ATOM 771 CG GLU A 49 5.703 7.702 2.064 1.00 0.00 C ATOM 772 CD GLU A 49 5.941 8.620 3.231 1.00 0.00 C ATOM 773 OE1 GLU A 49 5.212 9.572 3.371 1.00 0.00 O ATOM 774 OE2 GLU A 49 6.779 8.309 4.044 1.00 0.00 O ATOM 0 H GLU A 49 3.599 5.598 1.652 1.00 0.00 H new ATOM 0 HA GLU A 49 3.118 8.109 3.087 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.388 7.545 0.385 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.340 9.100 1.192 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.688 6.668 2.409 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.527 7.790 1.356 1.00 0.00 H new ATOM 781 N PRO A 50 1.423 9.210 1.535 1.00 0.00 N ATOM 782 CA PRO A 50 0.287 9.753 0.787 1.00 0.00 C ATOM 783 C PRO A 50 0.560 9.824 -0.712 1.00 0.00 C ATOM 784 O PRO A 50 1.652 10.205 -1.138 1.00 0.00 O ATOM 785 CB PRO A 50 0.075 11.144 1.393 1.00 0.00 C ATOM 786 CG PRO A 50 1.399 11.496 1.982 1.00 0.00 C ATOM 787 CD PRO A 50 1.971 10.198 2.484 1.00 0.00 C ATOM 0 HA PRO A 50 -0.597 9.121 0.870 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.227 11.866 0.635 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.707 11.132 2.152 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.052 11.951 1.237 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.289 12.217 2.792 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.061 10.206 2.475 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.662 9.989 3.508 1.00 0.00 H new ATOM 795 N THR A 51 -0.437 9.455 -1.509 1.00 0.00 N ATOM 796 CA THR A 51 -0.246 9.289 -2.946 1.00 0.00 C ATOM 797 C THR A 51 -1.577 9.351 -3.687 1.00 0.00 C ATOM 798 O THR A 51 -2.643 9.367 -3.070 1.00 0.00 O ATOM 799 CB THR A 51 0.452 7.957 -3.273 1.00 0.00 C ATOM 800 OG1 THR A 51 0.797 7.924 -4.664 1.00 0.00 O ATOM 801 CG2 THR A 51 -0.461 6.783 -2.954 1.00 0.00 C ATOM 0 H THR A 51 -1.385 9.265 -1.185 1.00 0.00 H new ATOM 0 HA THR A 51 0.390 10.110 -3.277 1.00 0.00 H new ATOM 0 HB THR A 51 1.353 7.879 -2.665 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.941 6.996 -4.943 1.00 0.00 H new ATOM 0 HG21 THR A 51 0.050 5.850 -3.192 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.716 6.798 -1.894 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.372 6.859 -3.547 1.00 0.00 H new ATOM 809 N THR A 52 -1.509 9.386 -5.014 1.00 0.00 N ATOM 810 CA THR A 52 -2.673 9.114 -5.847 1.00 0.00 C ATOM 811 C THR A 52 -2.321 8.179 -6.997 1.00 0.00 C ATOM 812 O THR A 52 -1.161 7.809 -7.175 1.00 0.00 O ATOM 813 CB THR A 52 -3.276 10.411 -6.419 1.00 0.00 C ATOM 814 OG1 THR A 52 -2.374 10.976 -7.379 1.00 0.00 O ATOM 815 CG2 THR A 52 -3.525 11.420 -5.308 1.00 0.00 C ATOM 0 H THR A 52 -0.659 9.600 -5.535 1.00 0.00 H new ATOM 0 HA THR A 52 -3.412 8.634 -5.205 1.00 0.00 H new ATOM 0 HB THR A 52 -4.226 10.172 -6.898 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.759 11.800 -7.744 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.951 12.330 -5.731 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.220 10.998 -4.582 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.583 11.657 -4.814 1.00 0.00 H new ATOM 823 N ASN A 53 -3.329 7.799 -7.775 1.00 0.00 N ATOM 824 CA ASN A 53 -3.101 7.135 -9.053 1.00 0.00 C ATOM 825 C ASN A 53 -1.888 7.727 -9.765 1.00 0.00 C ATOM 826 O ASN A 53 -1.538 8.888 -9.555 1.00 0.00 O ATOM 827 CB ASN A 53 -4.325 7.211 -9.947 1.00 0.00 C ATOM 828 CG ASN A 53 -5.467 6.350 -9.484 1.00 0.00 C ATOM 829 OD1 ASN A 53 -5.278 5.384 -8.734 1.00 0.00 O ATOM 830 ND2 ASN A 53 -6.637 6.642 -9.991 1.00 0.00 N ATOM 0 H ASN A 53 -4.312 7.940 -7.543 1.00 0.00 H new ATOM 0 HA ASN A 53 -2.903 6.084 -8.842 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -4.661 8.247 -10.000 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -4.045 6.914 -10.958 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -7.447 6.061 -9.773 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -6.740 7.450 -10.605 1.00 0.00 H new ATOM 837 N ASN A 54 -1.251 6.921 -10.609 1.00 0.00 N ATOM 838 CA ASN A 54 0.095 7.221 -11.082 1.00 0.00 C ATOM 839 C ASN A 54 0.072 8.333 -12.123 1.00 0.00 C ATOM 840 O ASN A 54 1.047 8.546 -12.845 1.00 0.00 O ATOM 841 CB ASN A 54 0.774 5.985 -11.645 1.00 0.00 C ATOM 842 CG ASN A 54 0.148 5.476 -12.914 1.00 0.00 C ATOM 843 OD1 ASN A 54 -0.838 6.033 -13.410 1.00 0.00 O ATOM 844 ND2 ASN A 54 0.662 4.372 -13.393 1.00 0.00 N ATOM 0 H ASN A 54 -1.645 6.056 -10.979 1.00 0.00 H new ATOM 0 HA ASN A 54 0.673 7.562 -10.223 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.823 6.212 -11.834 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.749 5.194 -10.895 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.248 3.931 -14.214 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.477 3.953 -12.946 1.00 0.00 H new ATOM 851 N LYS A 55 -1.051 9.042 -12.198 1.00 0.00 N ATOM 852 CA LYS A 55 -1.154 10.225 -13.046 1.00 0.00 C ATOM 853 C LYS A 55 -0.761 11.482 -12.277 1.00 0.00 C ATOM 854 O LYS A 55 -0.304 12.462 -12.863 1.00 0.00 O ATOM 855 CB LYS A 55 -2.573 10.366 -13.599 1.00 0.00 C ATOM 856 CG LYS A 55 -2.995 9.248 -14.542 1.00 0.00 C ATOM 857 CD LYS A 55 -4.402 9.473 -15.075 1.00 0.00 C ATOM 858 CE LYS A 55 -4.825 8.355 -16.015 1.00 0.00 C ATOM 859 NZ LYS A 55 -6.207 8.553 -16.530 1.00 0.00 N ATOM 0 H LYS A 55 -1.902 8.818 -11.682 1.00 0.00 H new ATOM 0 HA LYS A 55 -0.463 10.103 -13.880 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.273 10.404 -12.764 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.652 11.317 -14.125 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.294 9.188 -15.375 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.951 8.293 -14.019 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.103 9.535 -14.242 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.446 10.427 -15.600 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.130 8.303 -16.853 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.766 7.400 -15.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.456 7.769 -17.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.874 8.577 -15.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.258 9.452 -17.051 1.00 0.00 H new ATOM 873 N GLY A 56 -0.940 11.444 -10.960 1.00 0.00 N ATOM 874 CA GLY A 56 -0.443 12.514 -10.113 1.00 0.00 C ATOM 875 C GLY A 56 0.658 12.049 -9.180 1.00 0.00 C ATOM 876 O GLY A 56 1.797 11.844 -9.604 1.00 0.00 O ATOM 0 H GLY A 56 -1.420 10.692 -10.465 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -0.068 13.324 -10.738 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.266 12.920 -9.525 1.00 0.00 H new ATOM 880 N LEU A 57 0.321 11.884 -7.905 1.00 0.00 N ATOM 881 CA LEU A 57 1.325 11.679 -6.869 1.00 0.00 C ATOM 882 C LEU A 57 1.861 10.251 -6.906 1.00 0.00 C ATOM 883 O LEU A 57 1.185 9.335 -7.372 1.00 0.00 O ATOM 884 CB LEU A 57 0.737 11.995 -5.488 1.00 0.00 C ATOM 885 CG LEU A 57 0.314 13.455 -5.277 1.00 0.00 C ATOM 886 CD1 LEU A 57 -0.339 13.618 -3.913 1.00 0.00 C ATOM 887 CD2 LEU A 57 1.532 14.359 -5.403 1.00 0.00 C ATOM 0 H LEU A 57 -0.641 11.888 -7.565 1.00 0.00 H new ATOM 0 HA LEU A 57 2.156 12.358 -7.059 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.130 11.355 -5.325 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.474 11.733 -4.728 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.414 13.737 -6.038 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.635 14.658 -3.773 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.220 12.978 -3.852 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.369 13.335 -3.134 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.232 15.396 -5.253 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.270 14.082 -4.650 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.967 14.247 -6.396 1.00 0.00 H new ATOM 899 N SER A 58 3.080 10.069 -6.408 1.00 0.00 N ATOM 900 CA SER A 58 3.702 8.750 -6.370 1.00 0.00 C ATOM 901 C SER A 58 3.809 8.240 -4.936 1.00 0.00 C ATOM 902 O SER A 58 3.799 9.021 -3.986 1.00 0.00 O ATOM 903 CB SER A 58 5.071 8.799 -7.020 1.00 0.00 C ATOM 904 OG SER A 58 5.951 9.644 -6.331 1.00 0.00 O ATOM 0 H SER A 58 3.657 10.818 -6.025 1.00 0.00 H new ATOM 0 HA SER A 58 3.073 8.057 -6.928 1.00 0.00 H new ATOM 0 HB2 SER A 58 5.490 7.793 -7.058 1.00 0.00 H new ATOM 0 HB3 SER A 58 4.971 9.142 -8.050 1.00 0.00 H new ATOM 0 HG SER A 58 6.822 9.646 -6.781 1.00 0.00 H new ATOM 910 N ALA A 59 3.910 6.923 -4.790 1.00 0.00 N ATOM 911 CA ALA A 59 4.004 6.307 -3.472 1.00 0.00 C ATOM 912 C ALA A 59 5.307 5.528 -3.323 1.00 0.00 C ATOM 913 O ALA A 59 5.798 4.930 -4.281 1.00 0.00 O ATOM 914 CB ALA A 59 2.811 5.394 -3.230 1.00 0.00 C ATOM 0 H ALA A 59 3.929 6.263 -5.567 1.00 0.00 H new ATOM 0 HA ALA A 59 3.997 7.101 -2.725 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.894 4.941 -2.242 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.891 5.975 -3.286 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.792 4.611 -3.988 1.00 0.00 H new ATOM 920 N TYR A 60 5.863 5.541 -2.116 1.00 0.00 N ATOM 921 CA TYR A 60 7.143 4.894 -1.858 1.00 0.00 C ATOM 922 C TYR A 60 7.271 4.505 -0.388 1.00 0.00 C ATOM 923 O TYR A 60 6.519 4.985 0.460 1.00 0.00 O ATOM 924 CB TYR A 60 8.299 5.811 -2.262 1.00 0.00 C ATOM 925 CG TYR A 60 8.361 7.102 -1.476 1.00 0.00 C ATOM 926 CD1 TYR A 60 7.639 8.215 -1.880 1.00 0.00 C ATOM 927 CD2 TYR A 60 9.143 7.205 -0.334 1.00 0.00 C ATOM 928 CE1 TYR A 60 7.691 9.397 -1.165 1.00 0.00 C ATOM 929 CE2 TYR A 60 9.203 8.381 0.387 1.00 0.00 C ATOM 930 CZ TYR A 60 8.475 9.477 -0.033 1.00 0.00 C ATOM 931 OH TYR A 60 8.531 10.651 0.681 1.00 0.00 O ATOM 0 H TYR A 60 5.447 5.993 -1.302 1.00 0.00 H new ATOM 0 HA TYR A 60 7.188 3.986 -2.459 1.00 0.00 H new ATOM 0 HB2 TYR A 60 9.238 5.273 -2.133 1.00 0.00 H new ATOM 0 HB3 TYR A 60 8.209 6.047 -3.322 1.00 0.00 H new ATOM 0 HD1 TYR A 60 7.026 8.157 -2.767 1.00 0.00 H new ATOM 0 HD2 TYR A 60 9.715 6.350 -0.004 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.120 10.254 -1.491 1.00 0.00 H new ATOM 0 HE2 TYR A 60 9.816 8.443 1.274 1.00 0.00 H new ATOM 0 HH TYR A 60 9.128 10.538 1.450 1.00 0.00 H new ATOM 941 N ALA A 61 8.229 3.631 -0.094 1.00 0.00 N ATOM 942 CA ALA A 61 8.519 3.249 1.282 1.00 0.00 C ATOM 943 C ALA A 61 7.264 2.744 1.986 1.00 0.00 C ATOM 944 O ALA A 61 6.941 3.182 3.090 1.00 0.00 O ATOM 945 CB ALA A 61 9.116 4.424 2.041 1.00 0.00 C ATOM 0 H ALA A 61 8.817 3.174 -0.791 1.00 0.00 H new ATOM 0 HA ALA A 61 9.246 2.437 1.263 1.00 0.00 H new ATOM 0 HB1 ALA A 61 9.328 4.124 3.067 1.00 0.00 H new ATOM 0 HB2 ALA A 61 10.041 4.738 1.557 1.00 0.00 H new ATOM 0 HB3 ALA A 61 8.408 5.253 2.044 1.00 0.00 H new ATOM 951 N VAL A 62 6.560 1.819 1.340 1.00 0.00 N ATOM 952 CA VAL A 62 5.420 1.156 1.961 1.00 0.00 C ATOM 953 C VAL A 62 5.864 -0.050 2.780 1.00 0.00 C ATOM 954 O VAL A 62 6.721 -0.825 2.352 1.00 0.00 O ATOM 955 CB VAL A 62 4.391 0.700 0.909 1.00 0.00 C ATOM 956 CG1 VAL A 62 3.246 -0.050 1.575 1.00 0.00 C ATOM 957 CG2 VAL A 62 3.860 1.894 0.131 1.00 0.00 C ATOM 0 H VAL A 62 6.759 1.512 0.388 1.00 0.00 H new ATOM 0 HA VAL A 62 4.952 1.886 2.621 1.00 0.00 H new ATOM 0 HB VAL A 62 4.888 0.026 0.211 1.00 0.00 H new ATOM 0 HG11 VAL A 62 2.528 -0.365 0.818 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.637 -0.927 2.091 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.752 0.604 2.294 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.134 1.553 -0.608 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.379 2.591 0.817 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.685 2.395 -0.375 1.00 0.00 H new ATOM 967 N LYS A 63 5.274 -0.208 3.960 1.00 0.00 N ATOM 968 CA LYS A 63 5.700 -1.241 4.897 1.00 0.00 C ATOM 969 C LYS A 63 4.508 -2.059 5.384 1.00 0.00 C ATOM 970 O LYS A 63 3.554 -1.515 5.939 1.00 0.00 O ATOM 971 CB LYS A 63 6.434 -0.619 6.086 1.00 0.00 C ATOM 972 CG LYS A 63 7.748 0.063 5.727 1.00 0.00 C ATOM 973 CD LYS A 63 8.428 0.635 6.962 1.00 0.00 C ATOM 974 CE LYS A 63 9.714 1.364 6.597 1.00 0.00 C ATOM 975 NZ LYS A 63 10.396 1.922 7.796 1.00 0.00 N ATOM 0 H LYS A 63 4.499 0.367 4.290 1.00 0.00 H new ATOM 0 HA LYS A 63 6.384 -1.908 4.373 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.778 0.110 6.561 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.632 -1.397 6.823 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.412 -0.653 5.242 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.562 0.862 5.009 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.749 1.321 7.468 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.650 -0.169 7.663 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.387 0.677 6.083 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.488 2.171 5.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.267 2.410 7.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.764 2.597 8.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.635 1.150 8.450 1.00 0.00 H new ATOM 989 N VAL A 64 4.569 -3.370 5.171 1.00 0.00 N ATOM 990 CA VAL A 64 3.548 -4.275 5.685 1.00 0.00 C ATOM 991 C VAL A 64 4.109 -5.166 6.786 1.00 0.00 C ATOM 992 O VAL A 64 5.221 -5.682 6.678 1.00 0.00 O ATOM 993 CB VAL A 64 2.965 -5.162 4.567 1.00 0.00 C ATOM 994 CG1 VAL A 64 1.918 -6.110 5.133 1.00 0.00 C ATOM 995 CG2 VAL A 64 2.365 -4.302 3.466 1.00 0.00 C ATOM 0 H VAL A 64 5.314 -3.828 4.646 1.00 0.00 H new ATOM 0 HA VAL A 64 2.752 -3.653 6.094 1.00 0.00 H new ATOM 0 HB VAL A 64 3.773 -5.756 4.139 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.516 -6.729 4.331 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.376 -6.748 5.889 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.111 -5.533 5.585 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.958 -4.943 2.684 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.568 -3.684 3.880 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.138 -3.661 3.043 1.00 0.00 H new ATOM 1005 N VAL A 65 3.331 -5.343 7.850 1.00 0.00 N ATOM 1006 CA VAL A 65 3.826 -5.988 9.060 1.00 0.00 C ATOM 1007 C VAL A 65 4.037 -7.481 8.841 1.00 0.00 C ATOM 1008 O VAL A 65 3.129 -8.211 8.440 1.00 0.00 O ATOM 1009 CB VAL A 65 2.862 -5.782 10.245 1.00 0.00 C ATOM 1010 CG1 VAL A 65 3.325 -6.584 11.452 1.00 0.00 C ATOM 1011 CG2 VAL A 65 2.757 -4.306 10.596 1.00 0.00 C ATOM 0 H VAL A 65 2.356 -5.049 7.898 1.00 0.00 H new ATOM 0 HA VAL A 65 4.782 -5.521 9.297 1.00 0.00 H new ATOM 0 HB VAL A 65 1.874 -6.137 9.952 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.633 -6.427 12.280 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.351 -7.643 11.197 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.322 -6.257 11.746 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.072 -4.179 11.435 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.741 -3.926 10.870 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.382 -3.753 9.735 1.00 0.00 H new ATOM 1021 N PRO A 66 5.264 -7.951 9.110 1.00 0.00 N ATOM 1022 CA PRO A 66 5.652 -9.342 8.861 1.00 0.00 C ATOM 1023 C PRO A 66 5.119 -10.292 9.930 1.00 0.00 C ATOM 1024 O PRO A 66 4.557 -9.858 10.937 1.00 0.00 O ATOM 1025 CB PRO A 66 7.183 -9.302 8.848 1.00 0.00 C ATOM 1026 CG PRO A 66 7.532 -8.164 9.745 1.00 0.00 C ATOM 1027 CD PRO A 66 6.458 -7.134 9.520 1.00 0.00 C ATOM 0 HA PRO A 66 5.235 -9.724 7.929 1.00 0.00 H new ATOM 0 HB2 PRO A 66 7.608 -10.238 9.210 1.00 0.00 H new ATOM 0 HB3 PRO A 66 7.568 -9.146 7.840 1.00 0.00 H new ATOM 0 HG2 PRO A 66 7.561 -8.480 10.788 1.00 0.00 H new ATOM 0 HG3 PRO A 66 8.517 -7.763 9.506 1.00 0.00 H new ATOM 0 HD2 PRO A 66 6.259 -6.559 10.424 1.00 0.00 H new ATOM 0 HD3 PRO A 66 6.742 -6.422 8.745 1.00 0.00 H new ATOM 1035 N LEU A 67 5.299 -11.590 9.706 1.00 0.00 N ATOM 1036 CA LEU A 67 4.806 -12.602 10.632 1.00 0.00 C ATOM 1037 C LEU A 67 5.933 -13.524 11.083 1.00 0.00 C ATOM 1038 O LEU A 67 5.716 -14.708 11.337 1.00 0.00 O ATOM 1039 CB LEU A 67 3.678 -13.413 9.980 1.00 0.00 C ATOM 1040 CG LEU A 67 2.405 -12.620 9.660 1.00 0.00 C ATOM 1041 CD1 LEU A 67 1.447 -13.478 8.846 1.00 0.00 C ATOM 1042 CD2 LEU A 67 1.751 -12.162 10.956 1.00 0.00 C ATOM 0 H LEU A 67 5.783 -11.965 8.890 1.00 0.00 H new ATOM 0 HA LEU A 67 4.411 -12.096 11.513 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.055 -13.852 9.056 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.416 -14.238 10.642 1.00 0.00 H new ATOM 0 HG LEU A 67 2.663 -11.742 9.068 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.546 -12.906 8.624 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.927 -13.775 7.914 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.181 -14.368 9.417 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.846 -11.598 10.728 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.494 -13.032 11.561 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.444 -11.528 11.509 1.00 0.00 H new ATOM 1054 N GLU A 68 7.139 -12.972 11.182 1.00 0.00 N ATOM 1055 CA GLU A 68 8.315 -13.763 11.525 1.00 0.00 C ATOM 1056 C GLU A 68 8.450 -14.968 10.600 1.00 0.00 C ATOM 1057 O GLU A 68 8.731 -16.081 11.047 1.00 0.00 O ATOM 1058 CB GLU A 68 8.245 -14.222 12.983 1.00 0.00 C ATOM 1059 CG GLU A 68 8.230 -13.089 13.999 1.00 0.00 C ATOM 1060 CD GLU A 68 8.174 -13.616 15.405 1.00 0.00 C ATOM 1061 OE1 GLU A 68 8.140 -14.812 15.570 1.00 0.00 O ATOM 1062 OE2 GLU A 68 8.278 -12.831 16.318 1.00 0.00 O ATOM 0 H GLU A 68 7.327 -11.981 11.030 1.00 0.00 H new ATOM 0 HA GLU A 68 9.195 -13.132 11.397 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.348 -14.827 13.118 1.00 0.00 H new ATOM 0 HB3 GLU A 68 9.099 -14.867 13.189 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.121 -12.474 13.874 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.370 -12.445 13.816 1.00 0.00 H new ATOM 1069 N HIS A 69 8.250 -14.738 9.306 1.00 0.00 N ATOM 1070 CA HIS A 69 8.304 -15.813 8.321 1.00 0.00 C ATOM 1071 C HIS A 69 8.579 -15.259 6.927 1.00 0.00 C ATOM 1072 O HIS A 69 8.031 -14.227 6.538 1.00 0.00 O ATOM 1073 CB HIS A 69 6.999 -16.617 8.322 1.00 0.00 C ATOM 1074 CG HIS A 69 7.002 -17.769 7.366 1.00 0.00 C ATOM 1075 ND1 HIS A 69 7.724 -18.922 7.591 1.00 0.00 N ATOM 1076 CD2 HIS A 69 6.371 -17.945 6.181 1.00 0.00 C ATOM 1077 CE1 HIS A 69 7.537 -19.758 6.585 1.00 0.00 C ATOM 1078 NE2 HIS A 69 6.720 -19.189 5.717 1.00 0.00 N ATOM 0 H HIS A 69 8.049 -13.817 8.915 1.00 0.00 H new ATOM 0 HA HIS A 69 9.122 -16.478 8.596 1.00 0.00 H new ATOM 0 HB2 HIS A 69 6.814 -16.992 9.329 1.00 0.00 H new ATOM 0 HB3 HIS A 69 6.172 -15.952 8.073 1.00 0.00 H new ATOM 0 HD2 HIS A 69 5.716 -17.239 5.692 1.00 0.00 H new ATOM 0 HE1 HIS A 69 7.977 -20.739 6.489 1.00 0.00 H new ATOM 0 HE2 HIS A 69 6.400 -19.606 4.843 1.00 0.00 H new ATOM 1085 N HIS A 70 9.431 -15.953 6.178 1.00 0.00 N ATOM 1086 CA HIS A 70 9.748 -15.551 4.811 1.00 0.00 C ATOM 1087 C HIS A 70 10.284 -16.734 4.008 1.00 0.00 C ATOM 1088 O HIS A 70 10.541 -17.805 4.558 1.00 0.00 O ATOM 1089 CB HIS A 70 10.766 -14.406 4.804 1.00 0.00 C ATOM 1090 CG HIS A 70 12.115 -14.796 5.324 1.00 0.00 C ATOM 1091 ND1 HIS A 70 12.411 -14.832 6.671 1.00 0.00 N ATOM 1092 CD2 HIS A 70 13.246 -15.168 4.679 1.00 0.00 C ATOM 1093 CE1 HIS A 70 13.668 -15.210 6.831 1.00 0.00 C ATOM 1094 NE2 HIS A 70 14.196 -15.418 5.639 1.00 0.00 N ATOM 0 H HIS A 70 9.913 -16.795 6.493 1.00 0.00 H new ATOM 0 HA HIS A 70 8.828 -15.202 4.343 1.00 0.00 H new ATOM 0 HB2 HIS A 70 10.873 -14.033 3.785 1.00 0.00 H new ATOM 0 HB3 HIS A 70 10.379 -13.584 5.405 1.00 0.00 H new ATOM 0 HD2 HIS A 70 13.377 -15.252 3.610 1.00 0.00 H new ATOM 0 HE1 HIS A 70 14.176 -15.328 7.776 1.00 0.00 H new ATOM 0 HE2 HIS A 70 15.155 -15.716 5.460 1.00 0.00 H new ATOM 1101 N HIS A 71 10.447 -16.532 2.705 1.00 0.00 N ATOM 1102 CA HIS A 71 10.992 -17.567 1.835 1.00 0.00 C ATOM 1103 C HIS A 71 12.121 -17.013 0.970 1.00 0.00 C ATOM 1104 O HIS A 71 12.116 -15.836 0.606 1.00 0.00 O ATOM 1105 CB HIS A 71 9.894 -18.163 0.947 1.00 0.00 C ATOM 1106 CG HIS A 71 8.815 -18.864 1.714 1.00 0.00 C ATOM 1107 ND1 HIS A 71 8.959 -20.148 2.194 1.00 0.00 N ATOM 1108 CD2 HIS A 71 7.576 -18.459 2.081 1.00 0.00 C ATOM 1109 CE1 HIS A 71 7.853 -20.504 2.827 1.00 0.00 C ATOM 1110 NE2 HIS A 71 7.000 -19.497 2.772 1.00 0.00 N ATOM 0 H HIS A 71 10.210 -15.662 2.229 1.00 0.00 H new ATOM 0 HA HIS A 71 11.396 -18.356 2.469 1.00 0.00 H new ATOM 0 HB2 HIS A 71 9.447 -17.366 0.353 1.00 0.00 H new ATOM 0 HB3 HIS A 71 10.346 -18.866 0.248 1.00 0.00 H new ATOM 0 HD1 HIS A 71 9.788 -20.732 2.079 1.00 0.00 H new ATOM 0 HD2 HIS A 71 7.126 -17.500 1.870 1.00 0.00 H new ATOM 0 HE1 HIS A 71 7.678 -21.456 3.307 1.00 0.00 H new ATOM 1117 N HIS A 72 13.088 -17.866 0.648 1.00 0.00 N ATOM 1118 CA HIS A 72 14.202 -17.473 -0.206 1.00 0.00 C ATOM 1119 C HIS A 72 14.073 -18.103 -1.590 1.00 0.00 C ATOM 1120 O HIS A 72 13.645 -19.249 -1.725 1.00 0.00 O ATOM 1121 CB HIS A 72 15.538 -17.866 0.430 1.00 0.00 C ATOM 1122 CG HIS A 72 15.831 -17.148 1.710 1.00 0.00 C ATOM 1123 ND1 HIS A 72 16.381 -15.883 1.744 1.00 0.00 N ATOM 1124 CD2 HIS A 72 15.650 -17.516 3.000 1.00 0.00 C ATOM 1125 CE1 HIS A 72 16.525 -15.504 3.002 1.00 0.00 C ATOM 1126 NE2 HIS A 72 16.090 -16.475 3.783 1.00 0.00 N ATOM 0 H HIS A 72 13.122 -18.835 0.966 1.00 0.00 H new ATOM 0 HA HIS A 72 14.174 -16.389 -0.315 1.00 0.00 H new ATOM 0 HB2 HIS A 72 15.539 -18.940 0.618 1.00 0.00 H new ATOM 0 HB3 HIS A 72 16.341 -17.666 -0.280 1.00 0.00 H new ATOM 0 HD1 HIS A 72 16.636 -15.328 0.927 1.00 0.00 H new ATOM 0 HD2 HIS A 72 15.238 -18.451 3.349 1.00 0.00 H new ATOM 0 HE1 HIS A 72 16.930 -14.560 3.335 1.00 0.00 H new ATOM 1133 N HIS A 73 14.447 -17.346 -2.617 1.00 0.00 N ATOM 1134 CA HIS A 73 14.318 -17.806 -3.994 1.00 0.00 C ATOM 1135 C HIS A 73 15.612 -17.572 -4.769 1.00 0.00 C ATOM 1136 O HIS A 73 16.472 -16.799 -4.344 1.00 0.00 O ATOM 1137 CB HIS A 73 13.151 -17.104 -4.694 1.00 0.00 C ATOM 1138 CG HIS A 73 11.832 -17.306 -4.013 1.00 0.00 C ATOM 1139 ND1 HIS A 73 11.103 -18.470 -4.135 1.00 0.00 N ATOM 1140 CD2 HIS A 73 11.111 -16.492 -3.207 1.00 0.00 C ATOM 1141 CE1 HIS A 73 9.991 -18.364 -3.430 1.00 0.00 C ATOM 1142 NE2 HIS A 73 9.972 -17.174 -2.858 1.00 0.00 N ATOM 0 H HIS A 73 14.842 -16.411 -2.521 1.00 0.00 H new ATOM 0 HA HIS A 73 14.117 -18.877 -3.971 1.00 0.00 H new ATOM 0 HB2 HIS A 73 13.362 -16.036 -4.750 1.00 0.00 H new ATOM 0 HB3 HIS A 73 13.081 -17.469 -5.719 1.00 0.00 H new ATOM 0 HD2 HIS A 73 11.381 -15.493 -2.897 1.00 0.00 H new ATOM 0 HE1 HIS A 73 9.227 -19.122 -3.337 1.00 0.00 H new ATOM 0 HE2 HIS A 73 9.231 -16.819 -2.254 1.00 0.00 H new ATOM 1149 N HIS A 74 15.744 -18.244 -5.908 1.00 0.00 N ATOM 1150 CA HIS A 74 16.930 -18.105 -6.746 1.00 0.00 C ATOM 1151 C HIS A 74 16.973 -16.727 -7.401 1.00 0.00 C ATOM 1152 O HIS A 74 15.980 -16.005 -7.346 1.00 0.00 O ATOM 1153 CB HIS A 74 16.971 -19.200 -7.817 1.00 0.00 C ATOM 1154 CG HIS A 74 18.276 -19.282 -8.544 1.00 0.00 C ATOM 1155 ND1 HIS A 74 18.621 -18.408 -9.554 1.00 0.00 N ATOM 1156 CD2 HIS A 74 19.321 -20.133 -8.409 1.00 0.00 C ATOM 1157 CE1 HIS A 74 19.823 -18.720 -10.009 1.00 0.00 C ATOM 1158 NE2 HIS A 74 20.268 -19.762 -9.332 1.00 0.00 N ATOM 1159 OXT HIS A 74 17.969 -16.360 -7.961 1.00 0.00 O ATOM 0 H HIS A 74 15.044 -18.891 -6.272 1.00 0.00 H new ATOM 0 HA HIS A 74 17.806 -18.212 -6.106 1.00 0.00 H new ATOM 0 HB2 HIS A 74 16.765 -20.162 -7.348 1.00 0.00 H new ATOM 0 HB3 HIS A 74 16.174 -19.020 -8.538 1.00 0.00 H new ATOM 0 HD1 HIS A 74 18.041 -17.642 -9.896 1.00 0.00 H new ATOM 0 HD2 HIS A 74 19.396 -20.950 -7.707 1.00 0.00 H new ATOM 0 HE1 HIS A 74 20.351 -18.209 -10.800 1.00 0.00 H new TER 1166 HIS A 74