USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 0 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 58 THR OG1 : rot 180:sc= 0.0584 USER MOD Set 1.2: A 61 SER OG : rot 180:sc= -0.56 USER MOD Single : A 1 GLY N :NH3+ -169:sc= 1.08 (180deg=0.969) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.234 K(o=-0.23,f=-8.8!) USER MOD Single : A 18 THR OG1 : rot -57:sc= 1.07 USER MOD Single : A 20 LYS NZ :NH3+ -150:sc= 1.39 (180deg=0.44) USER MOD Single : A 26 GLN : amide:sc= -0.0867 X(o=-0.087,f=-0.31) USER MOD Single : A 35 GLN : amide:sc= 0.709 K(o=0.71,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 164:sc= 0.659 (180deg=0.498) USER MOD Single : A 40 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0435) USER MOD Single : A 41 LYS NZ :NH3+ -153:sc= 0.903 (180deg=0.128) USER MOD Single : A 43 THR OG1 : rot 160:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.468 X(o=-0.47,f=-0.53) USER MOD Single : A 68 ASN : amide:sc= 0.583 K(o=0.58,f=-0.081) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.192 -1.216 -3.749 1.00 0.00 N ATOM 2 CA GLY A 1 -1.103 -1.860 -4.463 1.00 0.00 C ATOM 3 C GLY A 1 0.225 -1.665 -3.729 1.00 0.00 C ATOM 4 O GLY A 1 1.119 -0.982 -4.226 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.100 -1.515 -4.158 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.158 -1.488 -2.746 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.098 -0.183 -3.831 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.312 -2.925 -4.568 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.030 -1.449 -5.470 1.00 0.00 H new ATOM 5 N GLU A 2 0.313 -2.278 -2.557 1.00 0.00 N ATOM 6 CA GLU A 2 1.509 -2.163 -1.740 1.00 0.00 C ATOM 7 C GLU A 2 2.062 -3.550 -1.411 1.00 0.00 C ATOM 8 O GLU A 2 1.371 -4.554 -1.579 1.00 0.00 O ATOM 9 CB GLU A 2 1.227 -1.368 -0.464 1.00 0.00 C ATOM 10 CG GLU A 2 0.044 -1.964 0.303 1.00 0.00 C ATOM 11 CD GLU A 2 -1.281 -1.387 -0.199 1.00 0.00 C ATOM 12 OE1 GLU A 2 -1.593 -0.233 0.287 1.00 0.00 O ATOM 13 OE2 GLU A 2 -1.966 -2.024 -1.012 1.00 0.00 O ATOM 0 H GLU A 2 -0.425 -2.856 -2.154 1.00 0.00 H new ATOM 0 HA GLU A 2 2.263 -1.618 -2.309 1.00 0.00 H new ATOM 0 HB2 GLU A 2 2.113 -1.366 0.171 1.00 0.00 H new ATOM 0 HB3 GLU A 2 1.015 -0.329 -0.718 1.00 0.00 H new ATOM 0 HG2 GLU A 2 0.040 -3.048 0.187 1.00 0.00 H new ATOM 0 HG3 GLU A 2 0.155 -1.757 1.367 1.00 0.00 H new ATOM 14 N GLU A 3 3.303 -3.563 -0.948 1.00 0.00 N ATOM 15 CA GLU A 3 3.959 -4.812 -0.597 1.00 0.00 C ATOM 16 C GLU A 3 4.037 -5.731 -1.817 1.00 0.00 C ATOM 17 O GLU A 3 3.589 -5.368 -2.903 1.00 0.00 O ATOM 18 CB GLU A 3 3.239 -5.500 0.564 1.00 0.00 C ATOM 19 CG GLU A 3 3.721 -4.956 1.910 1.00 0.00 C ATOM 20 CD GLU A 3 3.328 -3.487 2.080 1.00 0.00 C ATOM 21 OE1 GLU A 3 4.075 -2.592 1.659 1.00 0.00 O ATOM 22 OE2 GLU A 3 2.199 -3.290 2.672 1.00 0.00 O ATOM 0 H GLU A 3 3.872 -2.728 -0.808 1.00 0.00 H new ATOM 0 HA GLU A 3 4.975 -4.589 -0.270 1.00 0.00 H new ATOM 0 HB2 GLU A 3 2.164 -5.348 0.471 1.00 0.00 H new ATOM 0 HB3 GLU A 3 3.414 -6.575 0.519 1.00 0.00 H new ATOM 0 HG2 GLU A 3 3.293 -5.547 2.720 1.00 0.00 H new ATOM 0 HG3 GLU A 3 4.804 -5.057 1.980 1.00 0.00 H new ATOM 23 N CYS A 4 4.610 -6.905 -1.596 1.00 0.00 N ATOM 24 CA CYS A 4 4.706 -7.902 -2.650 1.00 0.00 C ATOM 25 C CYS A 4 3.316 -8.088 -3.261 1.00 0.00 C ATOM 26 O CYS A 4 2.355 -8.385 -2.552 1.00 0.00 O ATOM 27 CB CYS A 4 5.283 -9.220 -2.132 1.00 0.00 C ATOM 28 SG CYS A 4 7.076 -9.182 -1.768 1.00 0.00 S ATOM 0 H CYS A 4 5.013 -7.189 -0.703 1.00 0.00 H new ATOM 0 HA CYS A 4 5.397 -7.557 -3.419 1.00 0.00 H new ATOM 0 HB2 CYS A 4 4.748 -9.503 -1.225 1.00 0.00 H new ATOM 0 HB3 CYS A 4 5.093 -9.999 -2.870 1.00 0.00 H new ATOM 29 N ASP A 5 3.251 -7.906 -4.573 1.00 0.00 N ATOM 30 CA ASP A 5 2.013 -8.132 -5.300 1.00 0.00 C ATOM 31 C ASP A 5 2.265 -9.133 -6.428 1.00 0.00 C ATOM 32 O ASP A 5 1.578 -9.110 -7.448 1.00 0.00 O ATOM 33 CB ASP A 5 1.497 -6.834 -5.924 1.00 0.00 C ATOM 34 CG ASP A 5 1.341 -5.665 -4.951 1.00 0.00 C ATOM 35 OD1 ASP A 5 0.697 -5.939 -3.867 1.00 0.00 O ATOM 36 OD2 ASP A 5 1.811 -4.548 -5.214 1.00 0.00 O ATOM 0 H ASP A 5 4.036 -7.605 -5.151 1.00 0.00 H new ATOM 0 HA ASP A 5 1.273 -8.513 -4.597 1.00 0.00 H new ATOM 0 HB2 ASP A 5 2.179 -6.535 -6.720 1.00 0.00 H new ATOM 0 HB3 ASP A 5 0.531 -7.031 -6.389 1.00 0.00 H new ATOM 37 N CYS A 6 3.254 -9.987 -6.209 1.00 0.00 N ATOM 38 CA CYS A 6 3.641 -10.958 -7.218 1.00 0.00 C ATOM 39 C CYS A 6 4.352 -12.120 -6.519 1.00 0.00 C ATOM 40 O CYS A 6 4.767 -11.996 -5.368 1.00 0.00 O ATOM 41 CB CYS A 6 4.515 -10.327 -8.304 1.00 0.00 C ATOM 42 SG CYS A 6 4.486 -11.198 -9.913 1.00 0.00 S ATOM 0 H CYS A 6 3.799 -10.027 -5.348 1.00 0.00 H new ATOM 0 HA CYS A 6 2.752 -11.330 -7.728 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.192 -9.297 -8.458 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.544 -10.288 -7.946 1.00 0.00 H new ATOM 43 N GLY A 7 4.469 -13.222 -7.244 1.00 0.00 N ATOM 44 CA GLY A 7 5.153 -14.393 -6.722 1.00 0.00 C ATOM 45 C GLY A 7 5.859 -15.161 -7.841 1.00 0.00 C ATOM 46 O GLY A 7 5.912 -16.390 -7.817 1.00 0.00 O ATOM 0 H GLY A 7 4.101 -13.329 -8.189 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.881 -14.088 -5.970 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.436 -15.046 -6.225 1.00 0.00 H new ATOM 47 N SER A 8 6.383 -14.404 -8.794 1.00 0.00 N ATOM 48 CA SER A 8 7.112 -14.997 -9.903 1.00 0.00 C ATOM 49 C SER A 8 8.331 -14.139 -10.246 1.00 0.00 C ATOM 50 O SER A 8 8.189 -13.015 -10.726 1.00 0.00 O ATOM 51 CB SER A 8 6.212 -15.156 -11.131 1.00 0.00 C ATOM 52 OG SER A 8 5.149 -16.075 -10.898 1.00 0.00 O ATOM 0 H SER A 8 6.317 -13.386 -8.821 1.00 0.00 H new ATOM 0 HA SER A 8 7.447 -15.989 -9.601 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.799 -14.186 -11.406 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.809 -15.499 -11.976 1.00 0.00 H new ATOM 0 HG SER A 8 4.597 -16.148 -11.704 1.00 0.00 H new ATOM 53 N PRO A 9 9.533 -14.717 -9.979 1.00 0.00 N ATOM 54 CA PRO A 9 10.777 -14.018 -10.256 1.00 0.00 C ATOM 55 C PRO A 9 11.077 -14.005 -11.756 1.00 0.00 C ATOM 56 O PRO A 9 11.514 -12.990 -12.296 1.00 0.00 O ATOM 57 CB PRO A 9 11.831 -14.755 -9.447 1.00 0.00 C ATOM 58 CG PRO A 9 11.229 -16.111 -9.116 1.00 0.00 C ATOM 59 CD PRO A 9 9.740 -16.046 -9.411 1.00 0.00 C ATOM 0 HA PRO A 9 10.740 -12.966 -9.973 1.00 0.00 H new ATOM 0 HB2 PRO A 9 12.754 -14.866 -10.017 1.00 0.00 H new ATOM 0 HB3 PRO A 9 12.081 -14.206 -8.539 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.702 -16.893 -9.710 1.00 0.00 H new ATOM 0 HG3 PRO A 9 11.400 -16.359 -8.068 1.00 0.00 H new ATOM 0 HD2 PRO A 9 9.440 -16.827 -10.110 1.00 0.00 H new ATOM 0 HD3 PRO A 9 9.150 -16.186 -8.505 1.00 0.00 H new ATOM 60 N SER A 10 10.829 -15.144 -12.387 1.00 0.00 N ATOM 61 CA SER A 10 11.076 -15.278 -13.812 1.00 0.00 C ATOM 62 C SER A 10 10.236 -14.261 -14.587 1.00 0.00 C ATOM 63 O SER A 10 10.622 -13.831 -15.674 1.00 0.00 O ATOM 64 CB SER A 10 10.767 -16.697 -14.293 1.00 0.00 C ATOM 65 OG SER A 10 9.441 -17.098 -13.955 1.00 0.00 O ATOM 0 H SER A 10 10.460 -15.982 -11.937 1.00 0.00 H new ATOM 0 HA SER A 10 12.132 -15.082 -13.996 1.00 0.00 H new ATOM 0 HB2 SER A 10 10.898 -16.750 -15.374 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.480 -17.393 -13.851 1.00 0.00 H new ATOM 0 HG SER A 10 9.282 -18.009 -14.281 1.00 0.00 H new ATOM 66 N ASN A 11 9.103 -13.905 -13.999 1.00 0.00 N ATOM 67 CA ASN A 11 8.205 -12.947 -14.621 1.00 0.00 C ATOM 68 C ASN A 11 8.842 -11.556 -14.581 1.00 0.00 C ATOM 69 O ASN A 11 9.051 -10.996 -13.506 1.00 0.00 O ATOM 70 CB ASN A 11 6.871 -12.878 -13.876 1.00 0.00 C ATOM 71 CG ASN A 11 5.778 -12.280 -14.763 1.00 0.00 C ATOM 72 OD1 ASN A 11 6.019 -11.420 -15.595 1.00 0.00 O ATOM 73 ND2 ASN A 11 4.566 -12.780 -14.539 1.00 0.00 N ATOM 0 H ASN A 11 8.786 -14.263 -13.098 1.00 0.00 H new ATOM 0 HA ASN A 11 8.028 -13.268 -15.647 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.578 -13.878 -13.555 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.984 -12.274 -12.975 1.00 0.00 H new ATOM 0 HD21 ASN A 11 3.768 -12.445 -15.079 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.434 -13.498 -13.827 1.00 0.00 H new ATOM 74 N PRO A 12 9.140 -11.026 -15.797 1.00 0.00 N ATOM 75 CA PRO A 12 9.821 -9.747 -15.909 1.00 0.00 C ATOM 76 C PRO A 12 8.869 -8.590 -15.600 1.00 0.00 C ATOM 77 O PRO A 12 9.298 -7.445 -15.476 1.00 0.00 O ATOM 78 CB PRO A 12 10.359 -9.710 -17.330 1.00 0.00 C ATOM 79 CG PRO A 12 9.568 -10.753 -18.102 1.00 0.00 C ATOM 80 CD PRO A 12 8.840 -11.627 -17.093 1.00 0.00 C ATOM 0 HA PRO A 12 10.631 -9.638 -15.188 1.00 0.00 H new ATOM 0 HB2 PRO A 12 10.234 -8.720 -17.770 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.425 -9.935 -17.350 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.857 -10.273 -18.774 1.00 0.00 H new ATOM 0 HG3 PRO A 12 10.233 -11.356 -18.720 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.767 -11.642 -17.284 1.00 0.00 H new ATOM 0 HD3 PRO A 12 9.187 -12.659 -17.140 1.00 0.00 H new ATOM 81 N CYS A 13 7.593 -8.931 -15.484 1.00 0.00 N ATOM 82 CA CYS A 13 6.563 -7.922 -15.306 1.00 0.00 C ATOM 83 C CYS A 13 6.537 -7.516 -13.831 1.00 0.00 C ATOM 84 O CYS A 13 5.881 -6.542 -13.464 1.00 0.00 O ATOM 85 CB CYS A 13 5.197 -8.419 -15.785 1.00 0.00 C ATOM 86 SG CYS A 13 5.083 -8.735 -17.584 1.00 0.00 S ATOM 0 H CYS A 13 7.250 -9.891 -15.510 1.00 0.00 H new ATOM 0 HA CYS A 13 6.795 -7.050 -15.917 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.953 -9.338 -15.253 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.442 -7.683 -15.511 1.00 0.00 H new ATOM 87 N CYS A 14 7.259 -8.281 -13.027 1.00 0.00 N ATOM 88 CA CYS A 14 7.253 -8.071 -11.589 1.00 0.00 C ATOM 89 C CYS A 14 8.578 -8.583 -11.023 1.00 0.00 C ATOM 90 O CYS A 14 9.357 -9.219 -11.733 1.00 0.00 O ATOM 91 CB CYS A 14 6.051 -8.745 -10.924 1.00 0.00 C ATOM 92 SG CYS A 14 6.106 -10.574 -10.910 1.00 0.00 S ATOM 0 H CYS A 14 7.853 -9.048 -13.344 1.00 0.00 H new ATOM 0 HA CYS A 14 7.155 -7.007 -11.375 1.00 0.00 H new ATOM 0 HB2 CYS A 14 5.976 -8.390 -9.896 1.00 0.00 H new ATOM 0 HB3 CYS A 14 5.144 -8.427 -11.438 1.00 0.00 H new ATOM 93 N ASP A 15 8.796 -8.286 -9.750 1.00 0.00 N ATOM 94 CA ASP A 15 9.912 -8.870 -9.026 1.00 0.00 C ATOM 95 C ASP A 15 11.218 -8.517 -9.740 1.00 0.00 C ATOM 96 O ASP A 15 11.256 -7.596 -10.555 1.00 0.00 O ATOM 97 CB ASP A 15 9.799 -10.395 -8.974 1.00 0.00 C ATOM 98 CG ASP A 15 10.326 -11.040 -7.691 1.00 0.00 C ATOM 99 OD1 ASP A 15 11.333 -10.596 -7.120 1.00 0.00 O ATOM 100 OD2 ASP A 15 9.647 -12.054 -7.272 1.00 0.00 O ATOM 0 H ASP A 15 8.219 -7.649 -9.202 1.00 0.00 H new ATOM 0 HA ASP A 15 9.899 -8.473 -8.011 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.752 -10.671 -9.098 1.00 0.00 H new ATOM 0 HB3 ASP A 15 10.341 -10.813 -9.822 1.00 0.00 H new ATOM 101 N ALA A 16 12.259 -9.268 -9.408 1.00 0.00 N ATOM 102 CA ALA A 16 13.570 -9.028 -9.988 1.00 0.00 C ATOM 103 C ALA A 16 14.044 -7.626 -9.602 1.00 0.00 C ATOM 104 O ALA A 16 14.804 -6.999 -10.338 1.00 0.00 O ATOM 105 CB ALA A 16 13.502 -9.224 -11.504 1.00 0.00 C ATOM 0 H ALA A 16 12.221 -10.042 -8.745 1.00 0.00 H new ATOM 0 HA ALA A 16 14.298 -9.741 -9.600 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.485 -9.044 -11.939 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.189 -10.244 -11.725 1.00 0.00 H new ATOM 0 HB3 ALA A 16 12.783 -8.524 -11.930 1.00 0.00 H new ATOM 106 N ALA A 17 13.576 -7.175 -8.447 1.00 0.00 N ATOM 107 CA ALA A 17 13.928 -5.850 -7.964 1.00 0.00 C ATOM 108 C ALA A 17 13.483 -5.709 -6.507 1.00 0.00 C ATOM 109 O ALA A 17 14.305 -5.468 -5.624 1.00 0.00 O ATOM 110 CB ALA A 17 13.297 -4.792 -8.870 1.00 0.00 C ATOM 0 H ALA A 17 12.957 -7.703 -7.832 1.00 0.00 H new ATOM 0 HA ALA A 17 15.008 -5.704 -7.995 1.00 0.00 H new ATOM 0 HB1 ALA A 17 13.561 -3.798 -8.508 1.00 0.00 H new ATOM 0 HB2 ALA A 17 13.667 -4.917 -9.888 1.00 0.00 H new ATOM 0 HB3 ALA A 17 12.213 -4.905 -8.861 1.00 0.00 H new ATOM 111 N THR A 18 12.184 -5.866 -6.300 1.00 0.00 N ATOM 112 CA THR A 18 11.594 -5.591 -5.001 1.00 0.00 C ATOM 113 C THR A 18 10.299 -6.386 -4.824 1.00 0.00 C ATOM 114 O THR A 18 9.391 -5.953 -4.117 1.00 0.00 O ATOM 115 CB THR A 18 11.400 -4.078 -4.881 1.00 0.00 C ATOM 116 OG1 THR A 18 10.911 -3.895 -3.555 1.00 0.00 O ATOM 117 CG2 THR A 18 10.266 -3.562 -5.770 1.00 0.00 C ATOM 0 H THR A 18 11.523 -6.180 -7.010 1.00 0.00 H new ATOM 0 HA THR A 18 12.249 -5.914 -4.192 1.00 0.00 H new ATOM 0 HB THR A 18 12.328 -3.571 -5.144 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.095 -4.423 -3.432 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.170 -2.483 -5.648 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.488 -3.791 -6.812 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.331 -4.044 -5.484 1.00 0.00 H new ATOM 118 N CYS A 19 10.256 -7.538 -5.478 1.00 0.00 N ATOM 119 CA CYS A 19 9.171 -8.480 -5.263 1.00 0.00 C ATOM 120 C CYS A 19 7.849 -7.766 -5.557 1.00 0.00 C ATOM 121 O CYS A 19 6.812 -8.119 -4.998 1.00 0.00 O ATOM 122 CB CYS A 19 9.202 -9.066 -3.850 1.00 0.00 C ATOM 123 SG CYS A 19 7.822 -10.203 -3.459 1.00 0.00 S ATOM 0 H CYS A 19 10.955 -7.840 -6.157 1.00 0.00 H new ATOM 0 HA CYS A 19 9.283 -9.328 -5.939 1.00 0.00 H new ATOM 0 HB2 CYS A 19 10.143 -9.599 -3.714 1.00 0.00 H new ATOM 0 HB3 CYS A 19 9.193 -8.246 -3.132 1.00 0.00 H new ATOM 124 N LYS A 20 7.931 -6.776 -6.434 1.00 0.00 N ATOM 125 CA LYS A 20 6.779 -5.941 -6.727 1.00 0.00 C ATOM 126 C LYS A 20 6.707 -5.689 -8.234 1.00 0.00 C ATOM 127 O LYS A 20 7.713 -5.795 -8.933 1.00 0.00 O ATOM 128 CB LYS A 20 6.820 -4.660 -5.891 1.00 0.00 C ATOM 129 CG LYS A 20 5.429 -4.027 -5.789 1.00 0.00 C ATOM 130 CD LYS A 20 5.452 -2.800 -4.873 1.00 0.00 C ATOM 131 CE LYS A 20 4.031 -2.366 -4.506 1.00 0.00 C ATOM 132 NZ LYS A 20 3.217 -2.169 -5.726 1.00 0.00 N ATOM 0 H LYS A 20 8.777 -6.534 -6.951 1.00 0.00 H new ATOM 0 HA LYS A 20 5.858 -6.450 -6.444 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.195 -4.885 -4.893 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.515 -3.950 -6.340 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.083 -3.738 -6.781 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.719 -4.759 -5.405 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.012 -3.028 -3.966 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.970 -1.980 -5.370 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.567 -3.120 -3.870 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.064 -1.441 -3.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.498 -1.438 -5.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.832 -1.868 -6.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.748 -3.062 -5.978 1.00 0.00 H new ATOM 133 N LEU A 21 5.507 -5.363 -8.691 1.00 0.00 N ATOM 134 CA LEU A 21 5.284 -5.128 -10.107 1.00 0.00 C ATOM 135 C LEU A 21 6.334 -4.144 -10.628 1.00 0.00 C ATOM 136 O LEU A 21 6.913 -3.382 -9.855 1.00 0.00 O ATOM 137 CB LEU A 21 3.843 -4.677 -10.356 1.00 0.00 C ATOM 138 CG LEU A 21 2.749 -5.609 -9.829 1.00 0.00 C ATOM 139 CD1 LEU A 21 1.359 -5.078 -10.185 1.00 0.00 C ATOM 140 CD2 LEU A 21 2.961 -7.040 -10.330 1.00 0.00 C ATOM 0 H LEU A 21 4.679 -5.256 -8.105 1.00 0.00 H new ATOM 0 HA LEU A 21 5.406 -6.054 -10.670 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.707 -3.695 -9.902 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.702 -4.554 -11.430 1.00 0.00 H new ATOM 0 HG LEU A 21 2.816 -5.634 -8.741 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.600 -5.758 -9.799 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.222 -4.092 -9.741 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.264 -5.005 -11.268 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.171 -7.682 -9.942 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.935 -7.052 -11.420 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.928 -7.406 -9.986 1.00 0.00 H new ATOM 141 N ARG A 22 6.547 -4.193 -11.935 1.00 0.00 N ATOM 142 CA ARG A 22 7.401 -3.218 -12.591 1.00 0.00 C ATOM 143 C ARG A 22 6.596 -1.971 -12.961 1.00 0.00 C ATOM 144 O ARG A 22 5.366 -2.001 -12.966 1.00 0.00 O ATOM 145 CB ARG A 22 8.034 -3.802 -13.856 1.00 0.00 C ATOM 146 CG ARG A 22 9.506 -4.149 -13.622 1.00 0.00 C ATOM 147 CD ARG A 22 9.642 -5.413 -12.770 1.00 0.00 C ATOM 148 NE ARG A 22 9.432 -5.085 -11.342 1.00 0.00 N ATOM 149 CZ ARG A 22 10.187 -4.220 -10.651 1.00 0.00 C ATOM 150 NH1 ARG A 22 11.377 -3.837 -11.132 1.00 0.00 N ATOM 151 NH2 ARG A 22 9.751 -3.738 -9.480 1.00 0.00 N ATOM 0 H ARG A 22 6.143 -4.893 -12.557 1.00 0.00 H new ATOM 0 HA ARG A 22 8.194 -2.949 -11.893 1.00 0.00 H new ATOM 0 HB2 ARG A 22 7.490 -4.696 -14.160 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.951 -3.085 -14.673 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.005 -4.296 -14.580 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.005 -3.316 -13.126 1.00 0.00 H new ATOM 0 HD2 ARG A 22 8.914 -6.158 -13.091 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.630 -5.851 -12.910 1.00 0.00 H new ATOM 0 HE ARG A 22 8.665 -5.546 -10.853 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.708 -4.204 -12.024 1.00 0.00 H new ATOM 0 HH12 ARG A 22 11.952 -3.179 -10.606 1.00 0.00 H new ATOM 0 HH21 ARG A 22 8.844 -4.029 -9.114 1.00 0.00 H new ATOM 0 HH22 ARG A 22 10.325 -3.080 -8.954 1.00 0.00 H new ATOM 152 N PRO A 23 7.341 -0.875 -13.270 1.00 0.00 N ATOM 153 CA PRO A 23 6.709 0.375 -13.656 1.00 0.00 C ATOM 154 C PRO A 23 6.167 0.297 -15.085 1.00 0.00 C ATOM 155 O PRO A 23 6.926 0.088 -16.030 1.00 0.00 O ATOM 156 CB PRO A 23 7.790 1.430 -13.487 1.00 0.00 C ATOM 157 CG PRO A 23 9.109 0.674 -13.462 1.00 0.00 C ATOM 158 CD PRO A 23 8.799 -0.799 -13.260 1.00 0.00 C ATOM 0 HA PRO A 23 5.839 0.614 -13.044 1.00 0.00 H new ATOM 0 HB2 PRO A 23 7.767 2.148 -14.307 1.00 0.00 H new ATOM 0 HB3 PRO A 23 7.645 1.994 -12.565 1.00 0.00 H new ATOM 0 HG2 PRO A 23 9.653 0.825 -14.394 1.00 0.00 H new ATOM 0 HG3 PRO A 23 9.745 1.044 -12.658 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.233 -1.408 -14.053 1.00 0.00 H new ATOM 0 HD3 PRO A 23 9.208 -1.164 -12.318 1.00 0.00 H new ATOM 159 N GLY A 24 4.858 0.468 -15.197 1.00 0.00 N ATOM 160 CA GLY A 24 4.185 0.277 -16.472 1.00 0.00 C ATOM 161 C GLY A 24 3.511 -1.095 -16.534 1.00 0.00 C ATOM 162 O GLY A 24 2.900 -1.445 -17.543 1.00 0.00 O ATOM 0 H GLY A 24 4.245 0.736 -14.427 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.440 1.059 -16.615 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.905 0.370 -17.285 1.00 0.00 H new ATOM 163 N ALA A 25 3.644 -1.835 -15.443 1.00 0.00 N ATOM 164 CA ALA A 25 3.030 -3.148 -15.351 1.00 0.00 C ATOM 165 C ALA A 25 1.985 -3.140 -14.232 1.00 0.00 C ATOM 166 O ALA A 25 2.321 -2.948 -13.065 1.00 0.00 O ATOM 167 CB ALA A 25 4.114 -4.204 -15.127 1.00 0.00 C ATOM 0 H ALA A 25 4.168 -1.550 -14.616 1.00 0.00 H new ATOM 0 HA ALA A 25 2.518 -3.398 -16.280 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.653 -5.189 -15.058 1.00 0.00 H new ATOM 0 HB2 ALA A 25 4.815 -4.189 -15.962 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.647 -3.987 -14.201 1.00 0.00 H new ATOM 168 N GLN A 26 0.738 -3.351 -14.630 1.00 0.00 N ATOM 169 CA GLN A 26 -0.371 -3.245 -13.698 1.00 0.00 C ATOM 170 C GLN A 26 -0.700 -4.616 -13.104 1.00 0.00 C ATOM 171 O GLN A 26 -1.341 -4.706 -12.059 1.00 0.00 O ATOM 172 CB GLN A 26 -1.599 -2.633 -14.376 1.00 0.00 C ATOM 173 CG GLN A 26 -2.063 -1.375 -13.638 1.00 0.00 C ATOM 174 CD GLN A 26 -2.592 -1.720 -12.245 1.00 0.00 C ATOM 175 OE1 GLN A 26 -1.869 -1.729 -11.262 1.00 0.00 O ATOM 176 NE2 GLN A 26 -3.891 -2.003 -12.214 1.00 0.00 N ATOM 0 H GLN A 26 0.472 -3.594 -15.584 1.00 0.00 H new ATOM 0 HA GLN A 26 -0.075 -2.581 -12.886 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -1.362 -2.385 -15.411 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.407 -3.364 -14.400 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -1.234 -0.673 -13.552 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.843 -0.878 -14.214 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -4.439 -1.977 -13.074 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -4.339 -2.246 -11.330 1.00 0.00 H new ATOM 177 N CYS A 27 -0.245 -5.650 -13.797 1.00 0.00 N ATOM 178 CA CYS A 27 -0.480 -7.012 -13.349 1.00 0.00 C ATOM 179 C CYS A 27 0.576 -7.916 -13.990 1.00 0.00 C ATOM 180 O CYS A 27 1.183 -7.552 -14.995 1.00 0.00 O ATOM 181 CB CYS A 27 -1.901 -7.477 -13.673 1.00 0.00 C ATOM 182 SG CYS A 27 -2.385 -7.303 -15.429 1.00 0.00 S ATOM 0 H CYS A 27 0.285 -5.572 -14.665 1.00 0.00 H new ATOM 0 HA CYS A 27 -0.391 -7.062 -12.264 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.000 -8.524 -13.386 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.602 -6.911 -13.060 1.00 0.00 H new ATOM 183 N ALA A 28 0.761 -9.079 -13.381 1.00 0.00 N ATOM 184 CA ALA A 28 1.779 -10.009 -13.838 1.00 0.00 C ATOM 185 C ALA A 28 1.170 -11.408 -13.954 1.00 0.00 C ATOM 186 O ALA A 28 1.894 -12.398 -14.046 1.00 0.00 O ATOM 187 CB ALA A 28 2.973 -9.970 -12.882 1.00 0.00 C ATOM 0 H ALA A 28 0.223 -9.398 -12.575 1.00 0.00 H new ATOM 0 HA ALA A 28 2.143 -9.725 -14.825 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.737 -10.668 -13.225 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.387 -8.962 -12.858 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.647 -10.252 -11.881 1.00 0.00 H new ATOM 188 N ASP A 29 -0.154 -11.445 -13.947 1.00 0.00 N ATOM 189 CA ASP A 29 -0.868 -12.708 -14.018 1.00 0.00 C ATOM 190 C ASP A 29 -2.367 -12.435 -14.155 1.00 0.00 C ATOM 191 O ASP A 29 -2.861 -11.411 -13.688 1.00 0.00 O ATOM 192 CB ASP A 29 -0.653 -13.535 -12.749 1.00 0.00 C ATOM 193 CG ASP A 29 -1.310 -14.916 -12.758 1.00 0.00 C ATOM 194 OD1 ASP A 29 -0.705 -15.804 -13.472 1.00 0.00 O ATOM 195 OD2 ASP A 29 -2.348 -15.134 -12.114 1.00 0.00 O ATOM 0 H ASP A 29 -0.751 -10.620 -13.893 1.00 0.00 H new ATOM 0 HA ASP A 29 -0.489 -13.261 -14.878 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.418 -13.660 -12.592 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.036 -12.973 -11.898 1.00 0.00 H new ATOM 196 N GLY A 30 -3.050 -13.369 -14.800 1.00 0.00 N ATOM 197 CA GLY A 30 -4.493 -13.279 -14.942 1.00 0.00 C ATOM 198 C GLY A 30 -4.918 -13.524 -16.391 1.00 0.00 C ATOM 199 O GLY A 30 -4.232 -13.106 -17.323 1.00 0.00 O ATOM 0 H GLY A 30 -2.630 -14.193 -15.231 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.972 -14.010 -14.290 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.833 -12.294 -14.621 1.00 0.00 H new ATOM 200 N LEU A 31 -6.048 -14.202 -16.537 1.00 0.00 N ATOM 201 CA LEU A 31 -6.607 -14.450 -17.855 1.00 0.00 C ATOM 202 C LEU A 31 -7.039 -13.123 -18.480 1.00 0.00 C ATOM 203 O LEU A 31 -7.024 -12.973 -19.701 1.00 0.00 O ATOM 204 CB LEU A 31 -7.730 -15.486 -17.773 1.00 0.00 C ATOM 205 CG LEU A 31 -7.307 -16.948 -17.934 1.00 0.00 C ATOM 206 CD1 LEU A 31 -8.245 -17.878 -17.160 1.00 0.00 C ATOM 207 CD2 LEU A 31 -7.212 -17.331 -19.412 1.00 0.00 C ATOM 0 H LEU A 31 -6.591 -14.587 -15.764 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.853 -14.881 -18.514 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.229 -15.377 -16.810 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.467 -15.255 -18.542 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.311 -17.065 -17.506 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.923 -18.911 -17.291 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.220 -17.621 -16.101 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.262 -17.765 -17.536 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.910 -18.375 -19.499 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.184 -17.194 -19.887 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.475 -16.698 -19.905 1.00 0.00 H new ATOM 208 N CYS A 32 -7.414 -12.192 -17.615 1.00 0.00 N ATOM 209 CA CYS A 32 -7.803 -10.866 -18.064 1.00 0.00 C ATOM 210 C CYS A 32 -6.621 -9.919 -17.846 1.00 0.00 C ATOM 211 O CYS A 32 -6.811 -8.738 -17.564 1.00 0.00 O ATOM 212 CB CYS A 32 -9.065 -10.376 -17.354 1.00 0.00 C ATOM 213 SG CYS A 32 -10.573 -11.352 -17.707 1.00 0.00 S ATOM 0 H CYS A 32 -7.457 -12.330 -16.605 1.00 0.00 H new ATOM 0 HA CYS A 32 -8.052 -10.897 -19.125 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -8.887 -10.385 -16.279 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -9.245 -9.339 -17.638 1.00 0.00 H new ATOM 214 N CYS A 33 -5.426 -10.475 -17.985 1.00 0.00 N ATOM 215 CA CYS A 33 -4.213 -9.690 -17.824 1.00 0.00 C ATOM 216 C CYS A 33 -3.246 -10.064 -18.949 1.00 0.00 C ATOM 217 O CYS A 33 -2.946 -11.241 -19.149 1.00 0.00 O ATOM 218 CB CYS A 33 -3.587 -9.894 -16.442 1.00 0.00 C ATOM 219 SG CYS A 33 -1.950 -9.109 -16.218 1.00 0.00 S ATOM 0 H CYS A 33 -5.272 -11.459 -18.207 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.452 -8.629 -17.890 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.269 -9.501 -15.688 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.490 -10.964 -16.257 1.00 0.00 H new ATOM 220 N ASP A 34 -2.784 -9.041 -19.654 1.00 0.00 N ATOM 221 CA ASP A 34 -1.733 -9.226 -20.638 1.00 0.00 C ATOM 222 C ASP A 34 -0.415 -9.527 -19.922 1.00 0.00 C ATOM 223 O ASP A 34 -0.378 -9.614 -18.695 1.00 0.00 O ATOM 224 CB ASP A 34 -1.536 -7.961 -21.477 1.00 0.00 C ATOM 225 CG ASP A 34 -0.978 -8.197 -22.882 1.00 0.00 C ATOM 226 OD1 ASP A 34 -1.842 -8.604 -23.751 1.00 0.00 O ATOM 227 OD2 ASP A 34 0.220 -8.002 -23.135 1.00 0.00 O ATOM 0 H ASP A 34 -3.119 -8.082 -19.562 1.00 0.00 H new ATOM 0 HA ASP A 34 -2.023 -10.051 -21.289 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.494 -7.448 -21.564 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.863 -7.290 -20.943 1.00 0.00 H new ATOM 228 N GLN A 35 0.634 -9.677 -20.717 1.00 0.00 N ATOM 229 CA GLN A 35 1.949 -9.974 -20.173 1.00 0.00 C ATOM 230 C GLN A 35 2.587 -8.704 -19.607 1.00 0.00 C ATOM 231 O GLN A 35 3.712 -8.359 -19.962 1.00 0.00 O ATOM 232 CB GLN A 35 2.848 -10.613 -21.233 1.00 0.00 C ATOM 233 CG GLN A 35 2.985 -9.706 -22.457 1.00 0.00 C ATOM 234 CD GLN A 35 4.419 -9.715 -22.989 1.00 0.00 C ATOM 235 OE1 GLN A 35 4.738 -10.353 -23.979 1.00 0.00 O ATOM 236 NE2 GLN A 35 5.264 -8.974 -22.278 1.00 0.00 N ATOM 0 H GLN A 35 0.601 -9.599 -21.733 1.00 0.00 H new ATOM 0 HA GLN A 35 1.832 -10.692 -19.361 1.00 0.00 H new ATOM 0 HB2 GLN A 35 3.833 -10.809 -20.809 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.434 -11.575 -21.534 1.00 0.00 H new ATOM 0 HG2 GLN A 35 2.302 -10.038 -23.238 1.00 0.00 H new ATOM 0 HG3 GLN A 35 2.698 -8.688 -22.194 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.931 -8.465 -21.459 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.245 -8.915 -22.551 1.00 0.00 H new ATOM 237 N CYS A 36 1.841 -8.044 -18.732 1.00 0.00 N ATOM 238 CA CYS A 36 2.399 -6.966 -17.936 1.00 0.00 C ATOM 239 C CYS A 36 1.260 -6.025 -17.534 1.00 0.00 C ATOM 240 O CYS A 36 1.295 -5.427 -16.460 1.00 0.00 O ATOM 241 CB CYS A 36 3.512 -6.228 -18.682 1.00 0.00 C ATOM 242 SG CYS A 36 5.203 -6.827 -18.325 1.00 0.00 S ATOM 0 H CYS A 36 0.855 -8.236 -18.558 1.00 0.00 H new ATOM 0 HA CYS A 36 2.863 -7.377 -17.039 1.00 0.00 H new ATOM 0 HB2 CYS A 36 3.330 -6.313 -19.753 1.00 0.00 H new ATOM 0 HB3 CYS A 36 3.457 -5.168 -18.432 1.00 0.00 H new ATOM 243 N ARG A 37 0.279 -5.926 -18.418 1.00 0.00 N ATOM 244 CA ARG A 37 -0.807 -4.979 -18.228 1.00 0.00 C ATOM 245 C ARG A 37 -2.157 -5.693 -18.326 1.00 0.00 C ATOM 246 O ARG A 37 -2.211 -6.891 -18.595 1.00 0.00 O ATOM 247 CB ARG A 37 -0.752 -3.860 -19.270 1.00 0.00 C ATOM 248 CG ARG A 37 0.440 -2.934 -19.017 1.00 0.00 C ATOM 249 CD ARG A 37 0.512 -1.832 -20.077 1.00 0.00 C ATOM 250 NE ARG A 37 0.820 -2.422 -21.399 1.00 0.00 N ATOM 251 CZ ARG A 37 -0.018 -2.401 -22.444 1.00 0.00 C ATOM 252 NH1 ARG A 37 -1.335 -2.261 -22.244 1.00 0.00 N ATOM 253 NH2 ARG A 37 0.461 -2.522 -23.690 1.00 0.00 N ATOM 0 H ARG A 37 0.213 -6.486 -19.268 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.695 -4.541 -17.236 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -0.677 -4.291 -20.268 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.677 -3.284 -19.240 1.00 0.00 H new ATOM 0 HG2 ARG A 37 0.354 -2.486 -18.027 1.00 0.00 H new ATOM 0 HG3 ARG A 37 1.363 -3.513 -19.026 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.436 -1.295 -20.121 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.278 -1.105 -19.806 1.00 0.00 H new ATOM 0 HE ARG A 37 1.727 -2.873 -21.522 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.700 -2.170 -21.296 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.973 -2.245 -23.040 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.464 -2.630 -23.843 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -0.177 -2.506 -24.486 1.00 0.00 H new ATOM 254 N PHE A 38 -3.213 -4.924 -18.103 1.00 0.00 N ATOM 255 CA PHE A 38 -4.560 -5.467 -18.165 1.00 0.00 C ATOM 256 C PHE A 38 -4.933 -5.845 -19.600 1.00 0.00 C ATOM 257 O PHE A 38 -4.216 -5.509 -20.540 1.00 0.00 O ATOM 258 CB PHE A 38 -5.507 -4.370 -17.676 1.00 0.00 C ATOM 259 CG PHE A 38 -5.745 -4.381 -16.165 1.00 0.00 C ATOM 260 CD1 PHE A 38 -4.698 -4.549 -15.313 1.00 0.00 C ATOM 261 CD2 PHE A 38 -7.003 -4.221 -15.673 1.00 0.00 C ATOM 262 CE1 PHE A 38 -4.918 -4.559 -13.911 1.00 0.00 C ATOM 263 CE2 PHE A 38 -7.223 -4.232 -14.270 1.00 0.00 C ATOM 264 CZ PHE A 38 -6.176 -4.400 -13.419 1.00 0.00 C ATOM 0 H PHE A 38 -3.163 -3.930 -17.879 1.00 0.00 H new ATOM 0 HA PHE A 38 -4.628 -6.366 -17.552 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.101 -3.400 -17.962 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -6.465 -4.478 -18.185 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.699 -4.675 -15.704 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -7.834 -4.086 -16.349 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.087 -4.693 -13.235 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -8.222 -4.107 -13.879 1.00 0.00 H new ATOM 0 HZ PHE A 38 -6.343 -4.407 -12.352 1.00 0.00 H new ATOM 265 N LYS A 39 -6.054 -6.541 -19.723 1.00 0.00 N ATOM 266 CA LYS A 39 -6.562 -6.920 -21.030 1.00 0.00 C ATOM 267 C LYS A 39 -7.547 -5.856 -21.517 1.00 0.00 C ATOM 268 O LYS A 39 -7.818 -4.886 -20.811 1.00 0.00 O ATOM 269 CB LYS A 39 -7.151 -8.331 -20.989 1.00 0.00 C ATOM 270 CG LYS A 39 -6.044 -9.386 -20.930 1.00 0.00 C ATOM 271 CD LYS A 39 -5.567 -9.758 -22.336 1.00 0.00 C ATOM 272 CE LYS A 39 -4.771 -11.064 -22.316 1.00 0.00 C ATOM 273 NZ LYS A 39 -5.683 -12.226 -22.223 1.00 0.00 N ATOM 0 H LYS A 39 -6.625 -6.853 -18.937 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.750 -6.961 -21.757 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.801 -8.432 -20.120 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.769 -8.497 -21.871 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.206 -9.007 -20.346 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.411 -10.276 -20.419 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.425 -9.861 -23.000 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.948 -8.956 -22.738 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.165 -11.141 -23.219 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.084 -11.065 -21.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.168 -13.093 -22.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.039 -12.311 -21.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.483 -12.092 -22.874 1.00 0.00 H new ATOM 274 N LYS A 40 -8.056 -6.073 -22.721 1.00 0.00 N ATOM 275 CA LYS A 40 -9.095 -5.213 -23.262 1.00 0.00 C ATOM 276 C LYS A 40 -10.425 -5.972 -23.269 1.00 0.00 C ATOM 277 O LYS A 40 -10.456 -7.173 -23.528 1.00 0.00 O ATOM 278 CB LYS A 40 -8.686 -4.675 -24.633 1.00 0.00 C ATOM 279 CG LYS A 40 -9.670 -3.609 -25.120 1.00 0.00 C ATOM 280 CD LYS A 40 -9.362 -2.250 -24.492 1.00 0.00 C ATOM 281 CE LYS A 40 -10.476 -1.244 -24.788 1.00 0.00 C ATOM 282 NZ LYS A 40 -10.528 -0.940 -26.235 1.00 0.00 N ATOM 0 H LYS A 40 -7.768 -6.833 -23.338 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.231 -4.335 -22.630 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.683 -4.251 -24.577 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.646 -5.494 -25.352 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.619 -3.531 -26.206 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.688 -3.907 -24.869 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.245 -2.362 -23.414 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.415 -1.873 -24.878 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.434 -1.647 -24.460 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.306 -0.327 -24.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.231 -0.194 -26.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.593 -0.616 -26.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.796 -1.797 -26.760 1.00 0.00 H new ATOM 283 N LYS A 41 -11.489 -5.236 -22.983 1.00 0.00 N ATOM 284 CA LYS A 41 -12.823 -5.815 -22.992 1.00 0.00 C ATOM 285 C LYS A 41 -12.993 -6.673 -24.248 1.00 0.00 C ATOM 286 O LYS A 41 -12.491 -6.323 -25.315 1.00 0.00 O ATOM 287 CB LYS A 41 -13.883 -4.722 -22.846 1.00 0.00 C ATOM 288 CG LYS A 41 -15.250 -5.324 -22.516 1.00 0.00 C ATOM 289 CD LYS A 41 -16.360 -4.283 -22.672 1.00 0.00 C ATOM 290 CE LYS A 41 -16.115 -3.079 -21.759 1.00 0.00 C ATOM 291 NZ LYS A 41 -15.953 -3.518 -20.356 1.00 0.00 N ATOM 0 H LYS A 41 -11.455 -4.245 -22.744 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.958 -6.474 -22.134 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.588 -4.027 -22.059 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -13.948 -4.148 -23.770 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -15.446 -6.171 -23.173 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -15.246 -5.706 -21.495 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -16.411 -3.953 -23.710 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -17.323 -4.735 -22.434 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -15.223 -2.544 -22.084 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -16.950 -2.382 -21.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -16.240 -2.750 -19.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -16.548 -4.353 -20.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.957 -3.760 -20.181 1.00 0.00 H new ATOM 292 N ARG A 42 -13.703 -7.778 -24.079 1.00 0.00 N ATOM 293 CA ARG A 42 -14.048 -8.626 -25.208 1.00 0.00 C ATOM 294 C ARG A 42 -12.994 -9.719 -25.392 1.00 0.00 C ATOM 295 O ARG A 42 -13.127 -10.576 -26.263 1.00 0.00 O ATOM 296 CB ARG A 42 -14.156 -7.810 -26.498 1.00 0.00 C ATOM 297 CG ARG A 42 -15.085 -8.493 -27.502 1.00 0.00 C ATOM 298 CD ARG A 42 -15.190 -7.679 -28.794 1.00 0.00 C ATOM 299 NE ARG A 42 -15.995 -8.416 -29.793 1.00 0.00 N ATOM 300 CZ ARG A 42 -16.241 -7.973 -31.034 1.00 0.00 C ATOM 301 NH1 ARG A 42 -15.761 -6.787 -31.429 1.00 0.00 N ATOM 302 NH2 ARG A 42 -16.967 -8.719 -31.879 1.00 0.00 N ATOM 0 H ARG A 42 -14.049 -8.106 -23.177 1.00 0.00 H new ATOM 0 HA ARG A 42 -15.016 -9.081 -24.997 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -14.531 -6.812 -26.271 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -13.167 -7.686 -26.938 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -14.712 -9.492 -27.727 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -16.075 -8.614 -27.063 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -15.648 -6.712 -28.588 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -14.194 -7.482 -29.191 1.00 0.00 H new ATOM 0 HE ARG A 42 -16.387 -9.317 -29.520 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -15.208 -6.221 -30.786 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -15.948 -6.450 -32.373 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -17.332 -9.623 -31.577 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -17.155 -8.383 -32.824 1.00 0.00 H new ATOM 303 N THR A 43 -11.968 -9.655 -24.555 1.00 0.00 N ATOM 304 CA THR A 43 -11.000 -10.735 -24.474 1.00 0.00 C ATOM 305 C THR A 43 -11.652 -11.994 -23.900 1.00 0.00 C ATOM 306 O THR A 43 -12.496 -11.910 -23.010 1.00 0.00 O ATOM 307 CB THR A 43 -9.807 -10.240 -23.652 1.00 0.00 C ATOM 308 OG1 THR A 43 -8.862 -9.819 -24.631 1.00 0.00 O ATOM 309 CG2 THR A 43 -9.096 -11.372 -22.910 1.00 0.00 C ATOM 0 H THR A 43 -11.787 -8.872 -23.927 1.00 0.00 H new ATOM 0 HA THR A 43 -10.638 -11.016 -25.463 1.00 0.00 H new ATOM 0 HB THR A 43 -10.146 -9.494 -22.934 1.00 0.00 H new ATOM 0 HG1 THR A 43 -8.217 -9.205 -24.221 1.00 0.00 H new ATOM 0 HG21 THR A 43 -8.258 -10.966 -22.343 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.795 -11.855 -22.228 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.727 -12.103 -23.629 1.00 0.00 H new ATOM 310 N ILE A 44 -11.234 -13.133 -24.433 1.00 0.00 N ATOM 311 CA ILE A 44 -11.779 -14.407 -23.997 1.00 0.00 C ATOM 312 C ILE A 44 -11.054 -14.858 -22.726 1.00 0.00 C ATOM 313 O ILE A 44 -9.842 -15.066 -22.739 1.00 0.00 O ATOM 314 CB ILE A 44 -11.722 -15.431 -25.132 1.00 0.00 C ATOM 315 CG1 ILE A 44 -12.493 -14.934 -26.357 1.00 0.00 C ATOM 316 CG2 ILE A 44 -12.217 -16.801 -24.661 1.00 0.00 C ATOM 317 CD1 ILE A 44 -13.998 -15.145 -26.181 1.00 0.00 C ATOM 0 H ILE A 44 -10.524 -13.200 -25.163 1.00 0.00 H new ATOM 0 HA ILE A 44 -12.834 -14.303 -23.744 1.00 0.00 H new ATOM 0 HB ILE A 44 -10.681 -15.551 -25.432 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -12.287 -13.876 -26.516 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -12.150 -15.463 -27.246 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -12.166 -17.510 -25.487 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -11.590 -17.153 -23.842 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -13.248 -16.717 -24.318 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -14.522 -14.783 -27.066 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -14.203 -16.207 -26.047 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -14.343 -14.595 -25.305 1.00 0.00 H new ATOM 318 N CYS A 45 -11.828 -14.995 -21.659 1.00 0.00 N ATOM 319 CA CYS A 45 -11.274 -15.411 -20.382 1.00 0.00 C ATOM 320 C CYS A 45 -11.541 -16.908 -20.207 1.00 0.00 C ATOM 321 O CYS A 45 -10.748 -17.614 -19.584 1.00 0.00 O ATOM 322 CB CYS A 45 -11.847 -14.591 -19.224 1.00 0.00 C ATOM 323 SG CYS A 45 -13.019 -15.495 -18.149 1.00 0.00 S ATOM 0 H CYS A 45 -12.834 -14.825 -21.653 1.00 0.00 H new ATOM 0 HA CYS A 45 -10.199 -15.231 -20.373 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -11.022 -14.227 -18.612 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -12.352 -13.715 -19.632 1.00 0.00 H new ATOM 324 N ARG A 46 -12.658 -17.347 -20.768 1.00 0.00 N ATOM 325 CA ARG A 46 -13.030 -18.749 -20.695 1.00 0.00 C ATOM 326 C ARG A 46 -14.095 -19.071 -21.745 1.00 0.00 C ATOM 327 O ARG A 46 -14.777 -18.173 -22.237 1.00 0.00 O ATOM 328 CB ARG A 46 -13.567 -19.106 -19.307 1.00 0.00 C ATOM 329 CG ARG A 46 -12.936 -20.402 -18.792 1.00 0.00 C ATOM 330 CD ARG A 46 -11.924 -20.116 -17.681 1.00 0.00 C ATOM 331 NE ARG A 46 -10.888 -21.172 -17.657 1.00 0.00 N ATOM 332 CZ ARG A 46 -9.778 -21.153 -18.407 1.00 0.00 C ATOM 333 NH1 ARG A 46 -9.613 -20.199 -19.335 1.00 0.00 N ATOM 334 NH2 ARG A 46 -8.833 -22.086 -18.229 1.00 0.00 N ATOM 0 H ARG A 46 -13.317 -16.756 -21.275 1.00 0.00 H new ATOM 0 HA ARG A 46 -12.134 -19.340 -20.888 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.357 -18.293 -18.612 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -14.651 -19.217 -19.350 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.715 -21.066 -18.417 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -12.442 -20.922 -19.613 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -11.460 -19.143 -17.842 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -12.432 -20.071 -16.718 1.00 0.00 H new ATOM 0 HE ARG A 46 -11.028 -21.964 -17.030 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -10.332 -19.488 -19.469 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.768 -20.184 -19.906 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.959 -22.811 -17.522 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.988 -22.071 -18.800 1.00 0.00 H new ATOM 335 N ILE A 47 -14.206 -20.354 -22.056 1.00 0.00 N ATOM 336 CA ILE A 47 -15.204 -20.809 -23.008 1.00 0.00 C ATOM 337 C ILE A 47 -16.444 -21.288 -22.250 1.00 0.00 C ATOM 338 O ILE A 47 -16.360 -21.641 -21.075 1.00 0.00 O ATOM 339 CB ILE A 47 -14.610 -21.866 -23.943 1.00 0.00 C ATOM 340 CG1 ILE A 47 -13.177 -21.503 -24.338 1.00 0.00 C ATOM 341 CG2 ILE A 47 -15.505 -22.080 -25.165 1.00 0.00 C ATOM 342 CD1 ILE A 47 -13.143 -20.214 -25.159 1.00 0.00 C ATOM 0 H ILE A 47 -13.621 -21.093 -21.665 1.00 0.00 H new ATOM 0 HA ILE A 47 -15.519 -19.987 -23.651 1.00 0.00 H new ATOM 0 HB ILE A 47 -14.566 -22.814 -23.406 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.569 -21.383 -23.442 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -12.738 -22.317 -24.915 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -15.061 -22.835 -25.813 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -16.490 -22.414 -24.840 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -15.602 -21.143 -25.713 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -12.112 -19.980 -25.426 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -13.732 -20.345 -26.067 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -13.560 -19.397 -24.571 1.00 0.00 H new ATOM 343 N ALA A 48 -17.567 -21.284 -22.954 1.00 0.00 N ATOM 344 CA ALA A 48 -18.825 -21.703 -22.360 1.00 0.00 C ATOM 345 C ALA A 48 -18.933 -23.228 -22.430 1.00 0.00 C ATOM 346 O ALA A 48 -18.569 -23.835 -23.435 1.00 0.00 O ATOM 347 CB ALA A 48 -19.985 -21.004 -23.072 1.00 0.00 C ATOM 0 H ALA A 48 -17.631 -20.997 -23.931 1.00 0.00 H new ATOM 0 HA ALA A 48 -18.867 -21.416 -21.309 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -20.928 -21.319 -22.626 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -19.877 -19.924 -22.969 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -19.977 -21.270 -24.129 1.00 0.00 H new ATOM 348 N ARG A 49 -19.434 -23.804 -21.346 1.00 0.00 N ATOM 349 CA ARG A 49 -19.646 -25.239 -21.292 1.00 0.00 C ATOM 350 C ARG A 49 -21.132 -25.564 -21.462 1.00 0.00 C ATOM 351 O ARG A 49 -21.807 -25.923 -20.499 1.00 0.00 O ATOM 352 CB ARG A 49 -19.153 -25.820 -19.965 1.00 0.00 C ATOM 353 CG ARG A 49 -17.689 -26.253 -20.066 1.00 0.00 C ATOM 354 CD ARG A 49 -16.788 -25.064 -20.409 1.00 0.00 C ATOM 355 NE ARG A 49 -17.064 -23.938 -19.488 1.00 0.00 N ATOM 356 CZ ARG A 49 -16.817 -23.967 -18.172 1.00 0.00 C ATOM 357 NH1 ARG A 49 -16.049 -24.935 -17.655 1.00 0.00 N ATOM 358 NH2 ARG A 49 -17.340 -23.029 -17.371 1.00 0.00 N ATOM 0 H ARG A 49 -19.699 -23.302 -20.499 1.00 0.00 H new ATOM 0 HA ARG A 49 -19.077 -25.688 -22.106 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -19.262 -25.077 -19.175 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -19.770 -26.674 -19.686 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -17.371 -26.695 -19.122 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -17.586 -27.024 -20.829 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -15.741 -25.357 -20.335 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -16.959 -24.752 -21.439 1.00 0.00 H new ATOM 0 HE ARG A 49 -17.467 -23.087 -19.880 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -15.652 -25.651 -18.264 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -15.861 -24.956 -16.653 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -17.927 -22.293 -17.763 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -17.152 -23.051 -16.369 1.00 0.00 H new ATOM 359 N GLY A 50 -21.598 -25.425 -22.694 1.00 0.00 N ATOM 360 CA GLY A 50 -23.006 -25.630 -22.990 1.00 0.00 C ATOM 361 C GLY A 50 -23.408 -24.900 -24.272 1.00 0.00 C ATOM 362 O GLY A 50 -22.654 -24.882 -25.243 1.00 0.00 O ATOM 0 H GLY A 50 -21.025 -25.173 -23.500 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -23.208 -26.696 -23.096 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -23.612 -25.272 -22.158 1.00 0.00 H new ATOM 363 N ASP A 51 -24.598 -24.317 -24.235 1.00 0.00 N ATOM 364 CA ASP A 51 -25.115 -23.598 -25.387 1.00 0.00 C ATOM 365 C ASP A 51 -25.075 -22.095 -25.105 1.00 0.00 C ATOM 366 O ASP A 51 -25.791 -21.321 -25.739 1.00 0.00 O ATOM 367 CB ASP A 51 -26.567 -23.987 -25.673 1.00 0.00 C ATOM 368 CG ASP A 51 -27.345 -24.516 -24.466 1.00 0.00 C ATOM 369 OD1 ASP A 51 -27.176 -24.032 -23.336 1.00 0.00 O ATOM 370 OD2 ASP A 51 -28.164 -25.478 -24.723 1.00 0.00 O ATOM 0 H ASP A 51 -25.218 -24.328 -23.425 1.00 0.00 H new ATOM 0 HA ASP A 51 -24.497 -23.852 -26.248 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -27.089 -23.116 -26.070 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -26.577 -24.747 -26.454 1.00 0.00 H new ATOM 371 N PHE A 52 -24.232 -21.726 -24.152 1.00 0.00 N ATOM 372 CA PHE A 52 -24.083 -20.328 -23.783 1.00 0.00 C ATOM 373 C PHE A 52 -22.909 -19.688 -24.527 1.00 0.00 C ATOM 374 O PHE A 52 -22.038 -20.388 -25.041 1.00 0.00 O ATOM 375 CB PHE A 52 -23.802 -20.289 -22.280 1.00 0.00 C ATOM 376 CG PHE A 52 -24.413 -21.456 -21.502 1.00 0.00 C ATOM 377 CD1 PHE A 52 -25.762 -21.616 -21.465 1.00 0.00 C ATOM 378 CD2 PHE A 52 -23.606 -22.334 -20.848 1.00 0.00 C ATOM 379 CE1 PHE A 52 -26.330 -22.699 -20.744 1.00 0.00 C ATOM 380 CE2 PHE A 52 -24.173 -23.417 -20.125 1.00 0.00 C ATOM 381 CZ PHE A 52 -25.524 -23.577 -20.089 1.00 0.00 C ATOM 0 H PHE A 52 -23.645 -22.371 -23.624 1.00 0.00 H new ATOM 0 HA PHE A 52 -24.987 -19.776 -24.041 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -22.723 -20.286 -22.122 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -24.186 -19.354 -21.873 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -26.402 -20.919 -21.985 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -22.534 -22.208 -20.878 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -27.402 -22.826 -20.716 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -23.532 -24.113 -19.604 1.00 0.00 H new ATOM 0 HZ PHE A 52 -25.956 -24.401 -19.540 1.00 0.00 H new ATOM 382 N PRO A 53 -22.923 -18.329 -24.561 1.00 0.00 N ATOM 383 CA PRO A 53 -21.824 -17.584 -25.152 1.00 0.00 C ATOM 384 C PRO A 53 -20.603 -17.582 -24.230 1.00 0.00 C ATOM 385 O PRO A 53 -20.744 -17.550 -23.008 1.00 0.00 O ATOM 386 CB PRO A 53 -22.382 -16.191 -25.401 1.00 0.00 C ATOM 387 CG PRO A 53 -23.615 -16.073 -24.520 1.00 0.00 C ATOM 388 CD PRO A 53 -23.980 -17.468 -24.040 1.00 0.00 C ATOM 0 HA PRO A 53 -21.467 -18.028 -26.081 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -21.648 -15.425 -25.150 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -22.638 -16.055 -26.452 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -23.417 -15.417 -23.672 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -24.442 -15.633 -25.077 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -24.026 -17.513 -22.952 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -24.958 -17.772 -24.413 1.00 0.00 H new ATOM 389 N ASP A 54 -19.433 -17.619 -24.850 1.00 0.00 N ATOM 390 CA ASP A 54 -18.188 -17.603 -24.100 1.00 0.00 C ATOM 391 C ASP A 54 -18.149 -16.359 -23.210 1.00 0.00 C ATOM 392 O ASP A 54 -18.836 -15.376 -23.481 1.00 0.00 O ATOM 393 CB ASP A 54 -16.980 -17.552 -25.038 1.00 0.00 C ATOM 394 CG ASP A 54 -17.114 -16.578 -26.210 1.00 0.00 C ATOM 395 OD1 ASP A 54 -17.730 -15.509 -26.086 1.00 0.00 O ATOM 396 OD2 ASP A 54 -16.544 -16.959 -27.303 1.00 0.00 O ATOM 0 H ASP A 54 -19.320 -17.660 -25.863 1.00 0.00 H new ATOM 0 HA ASP A 54 -18.143 -18.514 -23.503 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -16.099 -17.279 -24.457 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -16.804 -18.552 -25.434 1.00 0.00 H new ATOM 397 N ASP A 55 -17.336 -16.443 -22.167 1.00 0.00 N ATOM 398 CA ASP A 55 -17.239 -15.358 -21.205 1.00 0.00 C ATOM 399 C ASP A 55 -16.088 -14.432 -21.602 1.00 0.00 C ATOM 400 O ASP A 55 -14.993 -14.896 -21.914 1.00 0.00 O ATOM 401 CB ASP A 55 -16.954 -15.892 -19.800 1.00 0.00 C ATOM 402 CG ASP A 55 -16.742 -14.818 -18.731 1.00 0.00 C ATOM 403 OD1 ASP A 55 -15.701 -14.145 -18.699 1.00 0.00 O ATOM 404 OD2 ASP A 55 -17.715 -14.683 -17.894 1.00 0.00 O ATOM 0 H ASP A 55 -16.739 -17.245 -21.967 1.00 0.00 H new ATOM 0 HA ASP A 55 -18.189 -14.824 -21.202 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -17.784 -16.529 -19.494 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -16.066 -16.523 -19.841 1.00 0.00 H new ATOM 405 N ARG A 56 -16.376 -13.140 -21.577 1.00 0.00 N ATOM 406 CA ARG A 56 -15.403 -12.148 -22.004 1.00 0.00 C ATOM 407 C ARG A 56 -14.881 -11.363 -20.799 1.00 0.00 C ATOM 408 O ARG A 56 -15.490 -11.381 -19.731 1.00 0.00 O ATOM 409 CB ARG A 56 -16.016 -11.173 -23.011 1.00 0.00 C ATOM 410 CG ARG A 56 -15.831 -11.676 -24.444 1.00 0.00 C ATOM 411 CD ARG A 56 -16.584 -12.990 -24.666 1.00 0.00 C ATOM 412 NE ARG A 56 -18.005 -12.829 -24.286 1.00 0.00 N ATOM 413 CZ ARG A 56 -19.011 -12.718 -25.165 1.00 0.00 C ATOM 414 NH1 ARG A 56 -18.759 -12.338 -26.425 1.00 0.00 N ATOM 415 NH2 ARG A 56 -20.266 -12.988 -24.784 1.00 0.00 N ATOM 0 H ARG A 56 -17.269 -12.756 -21.268 1.00 0.00 H new ATOM 0 HA ARG A 56 -14.579 -12.677 -22.482 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -17.078 -11.047 -22.800 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -15.551 -10.193 -22.903 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -16.190 -10.924 -25.146 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -14.770 -11.822 -24.648 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -16.510 -13.289 -25.712 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -16.129 -13.784 -24.075 1.00 0.00 H new ATOM 0 HE ARG A 56 -18.234 -12.801 -23.292 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -17.803 -12.134 -26.714 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -19.524 -12.253 -27.095 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -20.457 -13.278 -23.825 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -21.031 -12.903 -25.453 1.00 0.00 H new ATOM 416 N CYS A 57 -13.757 -10.694 -21.012 1.00 0.00 N ATOM 417 CA CYS A 57 -13.140 -9.912 -19.953 1.00 0.00 C ATOM 418 C CYS A 57 -13.781 -8.522 -19.947 1.00 0.00 C ATOM 419 O CYS A 57 -14.447 -8.138 -20.907 1.00 0.00 O ATOM 420 CB CYS A 57 -11.620 -9.838 -20.116 1.00 0.00 C ATOM 421 SG CYS A 57 -10.732 -11.389 -19.720 1.00 0.00 S ATOM 0 H CYS A 57 -13.258 -10.677 -21.901 1.00 0.00 H new ATOM 0 HA CYS A 57 -13.313 -10.396 -18.992 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -11.392 -9.557 -21.144 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -11.238 -9.043 -19.476 1.00 0.00 H new ATOM 422 N THR A 58 -13.557 -7.806 -18.856 1.00 0.00 N ATOM 423 CA THR A 58 -14.079 -6.457 -18.725 1.00 0.00 C ATOM 424 C THR A 58 -13.007 -5.431 -19.098 1.00 0.00 C ATOM 425 O THR A 58 -13.325 -4.306 -19.478 1.00 0.00 O ATOM 426 CB THR A 58 -14.608 -6.291 -17.299 1.00 0.00 C ATOM 427 OG1 THR A 58 -13.464 -6.499 -16.477 1.00 0.00 O ATOM 428 CG2 THR A 58 -15.566 -7.414 -16.897 1.00 0.00 C ATOM 0 H THR A 58 -13.020 -8.135 -18.053 1.00 0.00 H new ATOM 0 HA THR A 58 -14.904 -6.284 -19.416 1.00 0.00 H new ATOM 0 HB THR A 58 -15.116 -5.331 -17.210 1.00 0.00 H new ATOM 0 HG1 THR A 58 -13.717 -6.408 -15.535 1.00 0.00 H new ATOM 0 HG21 THR A 58 -15.912 -7.249 -15.877 1.00 0.00 H new ATOM 0 HG22 THR A 58 -16.421 -7.423 -17.573 1.00 0.00 H new ATOM 0 HG23 THR A 58 -15.048 -8.372 -16.954 1.00 0.00 H new ATOM 429 N GLY A 59 -11.758 -5.858 -18.976 1.00 0.00 N ATOM 430 CA GLY A 59 -10.636 -4.965 -19.214 1.00 0.00 C ATOM 431 C GLY A 59 -10.394 -4.055 -18.008 1.00 0.00 C ATOM 432 O GLY A 59 -9.685 -3.055 -18.114 1.00 0.00 O ATOM 0 H GLY A 59 -11.499 -6.809 -18.716 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.739 -5.549 -19.419 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -10.831 -4.358 -20.099 1.00 0.00 H new ATOM 433 N LEU A 60 -10.996 -4.434 -16.891 1.00 0.00 N ATOM 434 CA LEU A 60 -10.864 -3.659 -15.669 1.00 0.00 C ATOM 435 C LEU A 60 -10.607 -4.605 -14.495 1.00 0.00 C ATOM 436 O LEU A 60 -10.835 -4.244 -13.341 1.00 0.00 O ATOM 437 CB LEU A 60 -12.082 -2.753 -15.475 1.00 0.00 C ATOM 438 CG LEU A 60 -12.210 -1.583 -16.451 1.00 0.00 C ATOM 439 CD1 LEU A 60 -13.605 -0.957 -16.378 1.00 0.00 C ATOM 440 CD2 LEU A 60 -11.106 -0.549 -16.217 1.00 0.00 C ATOM 0 H LEU A 60 -11.577 -5.268 -16.806 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.006 -2.990 -15.733 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.981 -3.365 -15.552 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.055 -2.353 -14.461 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.082 -1.968 -17.463 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.669 -0.127 -17.082 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.354 -1.707 -16.632 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.787 -0.590 -15.368 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.221 0.272 -16.925 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.178 -0.164 -15.200 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.132 -1.018 -16.360 1.00 0.00 H new ATOM 441 N SER A 61 -10.137 -5.798 -14.829 1.00 0.00 N ATOM 442 CA SER A 61 -9.819 -6.788 -13.814 1.00 0.00 C ATOM 443 C SER A 61 -8.829 -7.811 -14.374 1.00 0.00 C ATOM 444 O SER A 61 -8.638 -7.898 -15.586 1.00 0.00 O ATOM 445 CB SER A 61 -11.084 -7.491 -13.316 1.00 0.00 C ATOM 446 OG SER A 61 -12.195 -6.602 -13.245 1.00 0.00 O ATOM 0 H SER A 61 -9.969 -6.101 -15.788 1.00 0.00 H new ATOM 0 HA SER A 61 -9.363 -6.276 -12.967 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.325 -8.320 -13.982 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.898 -7.918 -12.331 1.00 0.00 H new ATOM 0 HG SER A 61 -12.983 -7.088 -12.925 1.00 0.00 H new ATOM 447 N ASN A 62 -8.226 -8.562 -13.464 1.00 0.00 N ATOM 448 CA ASN A 62 -7.289 -9.602 -13.854 1.00 0.00 C ATOM 449 C ASN A 62 -7.965 -10.968 -13.717 1.00 0.00 C ATOM 450 O ASN A 62 -7.511 -11.951 -14.301 1.00 0.00 O ATOM 451 CB ASN A 62 -6.052 -9.596 -12.954 1.00 0.00 C ATOM 452 CG ASN A 62 -5.931 -8.270 -12.198 1.00 0.00 C ATOM 453 OD1 ASN A 62 -6.509 -8.074 -11.141 1.00 0.00 O ATOM 454 ND2 ASN A 62 -5.150 -7.375 -12.796 1.00 0.00 N ATOM 0 H ASN A 62 -8.368 -8.471 -12.458 1.00 0.00 H new ATOM 0 HA ASN A 62 -6.986 -9.414 -14.884 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -6.111 -10.420 -12.243 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.158 -9.758 -13.557 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.005 -6.459 -12.370 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.696 -7.604 -13.680 1.00 0.00 H new ATOM 455 N ASP A 63 -9.040 -10.986 -12.942 1.00 0.00 N ATOM 456 CA ASP A 63 -9.726 -12.231 -12.644 1.00 0.00 C ATOM 457 C ASP A 63 -10.571 -12.646 -13.851 1.00 0.00 C ATOM 458 O ASP A 63 -10.734 -11.871 -14.793 1.00 0.00 O ATOM 459 CB ASP A 63 -10.664 -12.070 -11.445 1.00 0.00 C ATOM 460 CG ASP A 63 -10.192 -11.072 -10.385 1.00 0.00 C ATOM 461 OD1 ASP A 63 -9.296 -11.522 -9.574 1.00 0.00 O ATOM 462 OD2 ASP A 63 -10.658 -9.924 -10.337 1.00 0.00 O ATOM 0 H ASP A 63 -9.452 -10.158 -12.512 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.972 -12.984 -12.415 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -11.643 -11.756 -11.808 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.796 -13.043 -10.973 1.00 0.00 H new ATOM 463 N CYS A 64 -11.083 -13.865 -13.784 1.00 0.00 N ATOM 464 CA CYS A 64 -11.863 -14.411 -14.882 1.00 0.00 C ATOM 465 C CYS A 64 -13.116 -15.069 -14.300 1.00 0.00 C ATOM 466 O CYS A 64 -13.104 -16.255 -13.975 1.00 0.00 O ATOM 467 CB CYS A 64 -11.043 -15.390 -15.726 1.00 0.00 C ATOM 468 SG CYS A 64 -12.034 -16.493 -16.798 1.00 0.00 S ATOM 0 H CYS A 64 -10.973 -14.491 -12.986 1.00 0.00 H new ATOM 0 HA CYS A 64 -12.156 -13.608 -15.558 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -10.355 -14.821 -16.351 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -10.436 -16.003 -15.060 1.00 0.00 H new ATOM 469 N PRO A 65 -14.194 -14.249 -14.184 1.00 0.00 N ATOM 470 CA PRO A 65 -15.459 -14.743 -13.669 1.00 0.00 C ATOM 471 C PRO A 65 -16.180 -15.600 -14.713 1.00 0.00 C ATOM 472 O PRO A 65 -16.227 -15.241 -15.889 1.00 0.00 O ATOM 473 CB PRO A 65 -16.240 -13.498 -13.281 1.00 0.00 C ATOM 474 CG PRO A 65 -15.579 -12.345 -14.018 1.00 0.00 C ATOM 475 CD PRO A 65 -14.238 -12.833 -14.539 1.00 0.00 C ATOM 0 HA PRO A 65 -15.334 -15.402 -12.810 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -17.289 -13.591 -13.562 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -16.212 -13.340 -12.203 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -16.208 -12.007 -14.841 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -15.443 -11.494 -13.351 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -14.157 -12.693 -15.617 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -13.413 -12.285 -14.084 1.00 0.00 H new ATOM 476 N ARG A 66 -16.722 -16.714 -14.247 1.00 0.00 N ATOM 477 CA ARG A 66 -17.430 -17.629 -15.127 1.00 0.00 C ATOM 478 C ARG A 66 -18.786 -17.041 -15.523 1.00 0.00 C ATOM 479 O ARG A 66 -19.349 -16.224 -14.794 1.00 0.00 O ATOM 480 CB ARG A 66 -17.645 -18.985 -14.454 1.00 0.00 C ATOM 481 CG ARG A 66 -16.346 -19.502 -13.833 1.00 0.00 C ATOM 482 CD ARG A 66 -15.211 -19.505 -14.858 1.00 0.00 C ATOM 483 NE ARG A 66 -14.082 -20.323 -14.362 1.00 0.00 N ATOM 484 CZ ARG A 66 -13.998 -21.653 -14.503 1.00 0.00 C ATOM 485 NH1 ARG A 66 -15.037 -22.342 -14.992 1.00 0.00 N ATOM 486 NH2 ARG A 66 -12.872 -22.293 -14.156 1.00 0.00 N ATOM 0 H ARG A 66 -16.686 -17.005 -13.270 1.00 0.00 H new ATOM 0 HA ARG A 66 -16.819 -17.773 -16.018 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -18.410 -18.895 -13.683 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -18.013 -19.704 -15.186 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -16.071 -18.877 -12.983 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -16.498 -20.511 -13.451 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -15.569 -19.903 -15.808 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -14.877 -18.485 -15.045 1.00 0.00 H new ATOM 0 HE ARG A 66 -13.320 -19.844 -13.883 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -15.893 -21.854 -15.257 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -14.973 -23.354 -15.099 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -12.080 -21.768 -13.785 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -12.807 -23.305 -14.263 1.00 0.00 H new ATOM 487 N TRP A 67 -19.271 -17.479 -16.675 1.00 0.00 N ATOM 488 CA TRP A 67 -20.542 -16.993 -17.184 1.00 0.00 C ATOM 489 C TRP A 67 -21.658 -17.622 -16.348 1.00 0.00 C ATOM 490 O TRP A 67 -22.123 -18.719 -16.649 1.00 0.00 O ATOM 491 CB TRP A 67 -20.680 -17.285 -18.680 1.00 0.00 C ATOM 492 CG TRP A 67 -21.350 -16.162 -19.474 1.00 0.00 C ATOM 493 CD1 TRP A 67 -20.809 -15.007 -19.885 1.00 0.00 C ATOM 494 CD2 TRP A 67 -22.716 -16.134 -19.939 1.00 0.00 C ATOM 495 NE1 TRP A 67 -21.724 -14.239 -20.578 1.00 0.00 N ATOM 496 CE2 TRP A 67 -22.919 -14.946 -20.613 1.00 0.00 C ATOM 497 CE3 TRP A 67 -23.746 -17.080 -19.796 1.00 0.00 C ATOM 498 CZ2 TRP A 67 -24.143 -14.595 -21.195 1.00 0.00 C ATOM 499 CZ3 TRP A 67 -24.963 -16.715 -20.383 1.00 0.00 C ATOM 500 CH2 TRP A 67 -25.184 -15.523 -21.064 1.00 0.00 C ATOM 0 H TRP A 67 -18.807 -18.165 -17.270 1.00 0.00 H new ATOM 0 HA TRP A 67 -20.606 -15.909 -17.091 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -19.690 -17.470 -19.097 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -21.256 -18.201 -18.809 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -19.787 -14.714 -19.698 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -21.553 -13.321 -20.989 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -23.609 -18.015 -19.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -24.277 -13.659 -21.717 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -25.788 -17.407 -20.301 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -26.154 -15.314 -21.490 1.00 0.00 H new ATOM 501 N ASN A 68 -22.054 -16.897 -15.311 1.00 0.00 N ATOM 502 CA ASN A 68 -23.126 -17.357 -14.443 1.00 0.00 C ATOM 503 C ASN A 68 -23.672 -16.173 -13.643 1.00 0.00 C ATOM 504 O ASN A 68 -23.008 -15.671 -12.738 1.00 0.00 O ATOM 505 CB ASN A 68 -22.619 -18.405 -13.450 1.00 0.00 C ATOM 506 CG ASN A 68 -23.664 -18.686 -12.368 1.00 0.00 C ATOM 507 OD1 ASN A 68 -23.484 -18.382 -11.200 1.00 0.00 O ATOM 508 ND2 ASN A 68 -24.764 -19.281 -12.820 1.00 0.00 N ATOM 0 H ASN A 68 -21.652 -15.996 -15.053 1.00 0.00 H new ATOM 0 HA ASN A 68 -23.901 -17.799 -15.069 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -22.381 -19.328 -13.979 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -21.696 -18.056 -12.987 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -25.521 -19.510 -12.176 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -24.851 -19.508 -13.811 1.00 0.00 H new ATOM 509 N ASP A 69 -24.878 -15.760 -14.008 1.00 0.00 N ATOM 510 CA ASP A 69 -25.541 -14.676 -13.304 1.00 0.00 C ATOM 511 C ASP A 69 -26.399 -15.255 -12.177 1.00 0.00 C ATOM 512 O ASP A 69 -27.623 -15.133 -12.196 1.00 0.00 O ATOM 513 CB ASP A 69 -26.461 -13.892 -14.242 1.00 0.00 C ATOM 514 CG ASP A 69 -27.130 -12.666 -13.616 1.00 0.00 C ATOM 515 OD1 ASP A 69 -26.496 -11.902 -12.873 1.00 0.00 O ATOM 516 OD2 ASP A 69 -28.372 -12.506 -13.925 1.00 0.00 O ATOM 0 H ASP A 69 -25.412 -16.157 -14.781 1.00 0.00 H new ATOM 0 HA ASP A 69 -24.773 -14.010 -12.911 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -25.883 -13.569 -15.108 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -27.237 -14.563 -14.610 1.00 0.00 H new ATOM 517 N LEU A 70 -25.732 -15.969 -11.217 1.00 0.00 N ATOM 518 CA LEU A 70 -26.358 -16.749 -10.127 1.00 0.00 C ATOM 519 C LEU A 70 -27.321 -17.781 -10.655 1.00 0.00 C ATOM 520 O LEU A 70 -26.991 -18.916 -10.997 1.00 0.00 O ATOM 521 CB LEU A 70 -27.003 -15.830 -9.075 1.00 0.00 C ATOM 522 CG LEU A 70 -27.446 -16.610 -7.828 1.00 0.00 C ATOM 523 CD1 LEU A 70 -26.241 -17.221 -7.101 1.00 0.00 C ATOM 524 CD2 LEU A 70 -28.229 -15.696 -6.879 1.00 0.00 C ATOM 525 OXT LEU A 70 -28.590 -17.384 -10.807 1.00 0.00 O ATOM 0 H LEU A 70 -24.713 -16.011 -11.190 1.00 0.00 H new ATOM 0 HA LEU A 70 -25.564 -17.299 -9.622 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -26.293 -15.055 -8.785 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -27.864 -15.326 -9.513 1.00 0.00 H new ATOM 0 HG LEU A 70 -28.095 -17.424 -8.152 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -26.585 -17.767 -6.222 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -25.719 -17.904 -7.772 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -25.562 -16.427 -6.792 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -28.537 -16.262 -6.000 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -27.596 -14.863 -6.571 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -29.112 -15.312 -7.390 1.00 0.00 H new TER 526 LEU A 70