USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 519 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 14 CYS SG : rot -170:sc= 0.0502 USER MOD Set 1.2: A 60 TYR OH : rot -16:sc= -0.0905 USER MOD Set 2.1: A 10 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 11 CYS SG : rot 180:sc= -0.0399 USER MOD Single : A 1 MET CE :methyl -146:sc= -0.264 (180deg=-1.54!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -160:sc= -0.0955 (180deg=-0.441) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl -160:sc= -0.113 (180deg=-0.405) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 MET CE :methyl -169:sc=-0.000506 (180deg=-0.148) USER MOD Single : A 19 THR OG1 : rot 91:sc= 1.25 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.0936) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 150:sc= -0.031 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0172 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.71! C(o=-0.71!,f=-2.4!) USER MOD Single : A 61 LYS NZ :NH3+ -171:sc= -0.0116 (180deg=-0.134) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.181 -3.676 7.620 1.00 0.00 N ATOM 2 CA MET A 1 -8.812 -3.211 7.385 1.00 0.00 C ATOM 3 C MET A 1 -8.194 -4.114 6.330 1.00 0.00 C ATOM 4 O MET A 1 -7.773 -5.224 6.648 1.00 0.00 O ATOM 5 CB MET A 1 -7.972 -3.162 8.673 1.00 0.00 C ATOM 6 CG MET A 1 -6.883 -2.097 8.540 1.00 0.00 C ATOM 7 SD MET A 1 -5.632 -2.165 9.843 1.00 0.00 S ATOM 8 CE MET A 1 -4.992 -0.476 9.761 1.00 0.00 C ATOM 0 H1 MET A 1 -10.633 -3.076 8.340 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.723 -3.621 6.734 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.161 -4.661 7.953 1.00 0.00 H new ATOM 0 HA MET A 1 -8.833 -2.181 7.030 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.611 -2.937 9.527 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.520 -4.136 8.861 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.393 -2.211 7.573 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.349 -1.112 8.548 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.926 -0.479 9.990 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.147 -0.077 8.759 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.517 0.147 10.485 1.00 0.00 H new ATOM 18 N LEU A 2 -8.174 -3.687 5.067 1.00 0.00 N ATOM 19 CA LEU A 2 -7.604 -4.499 3.992 1.00 0.00 C ATOM 20 C LEU A 2 -6.096 -4.625 4.165 1.00 0.00 C ATOM 21 O LEU A 2 -5.452 -3.697 4.665 1.00 0.00 O ATOM 22 CB LEU A 2 -7.942 -3.891 2.621 1.00 0.00 C ATOM 23 CG LEU A 2 -9.172 -4.582 2.015 1.00 0.00 C ATOM 24 CD1 LEU A 2 -9.795 -3.706 0.927 1.00 0.00 C ATOM 25 CD2 LEU A 2 -8.798 -5.951 1.429 1.00 0.00 C ATOM 0 H LEU A 2 -8.545 -2.786 4.764 1.00 0.00 H new ATOM 0 HA LEU A 2 -8.041 -5.496 4.042 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -8.133 -2.823 2.727 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.090 -3.997 1.949 1.00 0.00 H new ATOM 0 HG LEU A 2 -9.900 -4.732 2.812 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -10.666 -4.210 0.508 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -10.101 -2.753 1.358 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -9.063 -3.530 0.139 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -9.686 -6.421 1.006 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -8.049 -5.820 0.648 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -8.393 -6.586 2.217 1.00 0.00 H new ATOM 37 N LYS A 3 -5.523 -5.748 3.721 1.00 0.00 N ATOM 38 CA LYS A 3 -4.087 -6.035 3.801 1.00 0.00 C ATOM 39 C LYS A 3 -3.515 -6.151 2.402 1.00 0.00 C ATOM 40 O LYS A 3 -4.162 -6.704 1.511 1.00 0.00 O ATOM 41 CB LYS A 3 -3.816 -7.380 4.496 1.00 0.00 C ATOM 42 CG LYS A 3 -3.856 -7.391 6.020 1.00 0.00 C ATOM 43 CD LYS A 3 -5.237 -7.066 6.599 1.00 0.00 C ATOM 44 CE LYS A 3 -5.379 -7.433 8.078 1.00 0.00 C ATOM 45 NZ LYS A 3 -5.179 -8.877 8.301 1.00 0.00 N ATOM 0 H LYS A 3 -6.057 -6.500 3.286 1.00 0.00 H new ATOM 0 HA LYS A 3 -3.629 -5.223 4.366 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.547 -8.103 4.133 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.834 -7.733 4.180 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.544 -8.373 6.376 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.133 -6.669 6.399 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -5.432 -6.001 6.477 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -5.997 -7.597 6.026 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -4.653 -6.870 8.664 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -6.368 -7.143 8.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -5.602 -9.149 9.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -5.633 -9.413 7.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -4.161 -9.088 8.315 1.00 0.00 H new ATOM 59 N LEU A 4 -2.270 -5.718 2.235 1.00 0.00 N ATOM 60 CA LEU A 4 -1.554 -5.762 0.977 1.00 0.00 C ATOM 61 C LEU A 4 -0.100 -6.056 1.251 1.00 0.00 C ATOM 62 O LEU A 4 0.470 -5.503 2.194 1.00 0.00 O ATOM 63 CB LEU A 4 -1.678 -4.411 0.258 1.00 0.00 C ATOM 64 CG LEU A 4 -2.386 -4.608 -1.081 1.00 0.00 C ATOM 65 CD1 LEU A 4 -3.297 -3.439 -1.384 1.00 0.00 C ATOM 66 CD2 LEU A 4 -1.353 -4.742 -2.193 1.00 0.00 C ATOM 0 H LEU A 4 -1.721 -5.317 2.995 1.00 0.00 H new ATOM 0 HA LEU A 4 -1.977 -6.541 0.343 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.236 -3.708 0.876 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -0.690 -3.980 0.099 1.00 0.00 H new ATOM 0 HG LEU A 4 -2.987 -5.515 -1.021 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.791 -3.601 -2.342 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -4.048 -3.350 -0.599 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -2.709 -2.522 -1.429 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -1.861 -4.882 -3.147 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -0.745 -3.838 -2.235 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -0.713 -5.601 -1.993 1.00 0.00 H new ATOM 78 N LYS A 5 0.487 -6.903 0.415 1.00 0.00 N ATOM 79 CA LYS A 5 1.872 -7.303 0.502 1.00 0.00 C ATOM 80 C LYS A 5 2.617 -6.584 -0.599 1.00 0.00 C ATOM 81 O LYS A 5 2.320 -6.808 -1.776 1.00 0.00 O ATOM 82 CB LYS A 5 1.974 -8.816 0.323 1.00 0.00 C ATOM 83 CG LYS A 5 3.287 -9.321 0.930 1.00 0.00 C ATOM 84 CD LYS A 5 3.590 -10.766 0.536 1.00 0.00 C ATOM 85 CE LYS A 5 4.003 -10.823 -0.938 1.00 0.00 C ATOM 86 NZ LYS A 5 4.267 -12.199 -1.378 1.00 0.00 N ATOM 0 H LYS A 5 -0.008 -7.339 -0.363 1.00 0.00 H new ATOM 0 HA LYS A 5 2.299 -7.048 1.472 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.128 -9.307 0.804 1.00 0.00 H new ATOM 0 HB3 LYS A 5 1.930 -9.070 -0.736 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.106 -8.679 0.605 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.235 -9.246 2.016 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.388 -11.164 1.163 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.712 -11.390 0.702 1.00 0.00 H new ATOM 0 HE2 LYS A 5 3.215 -10.390 -1.553 1.00 0.00 H new ATOM 0 HE3 LYS A 5 4.895 -10.216 -1.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.544 -12.196 -2.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.037 -12.604 -0.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 3.408 -12.773 -1.258 1.00 0.00 H new ATOM 100 N VAL A 6 3.475 -5.646 -0.235 1.00 0.00 N ATOM 101 CA VAL A 6 4.276 -4.907 -1.193 1.00 0.00 C ATOM 102 C VAL A 6 5.547 -5.743 -1.380 1.00 0.00 C ATOM 103 O VAL A 6 5.845 -6.627 -0.572 1.00 0.00 O ATOM 104 CB VAL A 6 4.572 -3.488 -0.655 1.00 0.00 C ATOM 105 CG1 VAL A 6 5.149 -2.579 -1.752 1.00 0.00 C ATOM 106 CG2 VAL A 6 3.311 -2.804 -0.094 1.00 0.00 C ATOM 0 H VAL A 6 3.635 -5.376 0.735 1.00 0.00 H new ATOM 0 HA VAL A 6 3.771 -4.759 -2.148 1.00 0.00 H new ATOM 0 HB VAL A 6 5.300 -3.623 0.145 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.345 -1.590 -1.339 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.079 -3.007 -2.127 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.433 -2.495 -2.569 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.569 -1.810 0.272 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.563 -2.718 -0.882 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.908 -3.399 0.725 1.00 0.00 H new ATOM 116 N GLU A 7 6.293 -5.500 -2.446 1.00 0.00 N ATOM 117 CA GLU A 7 7.532 -6.190 -2.734 1.00 0.00 C ATOM 118 C GLU A 7 8.351 -5.193 -3.558 1.00 0.00 C ATOM 119 O GLU A 7 7.860 -4.669 -4.566 1.00 0.00 O ATOM 120 CB GLU A 7 7.238 -7.535 -3.426 1.00 0.00 C ATOM 121 CG GLU A 7 8.302 -8.609 -3.176 1.00 0.00 C ATOM 122 CD GLU A 7 9.557 -8.427 -4.023 1.00 0.00 C ATOM 123 OE1 GLU A 7 9.506 -8.794 -5.224 1.00 0.00 O ATOM 124 OE2 GLU A 7 10.575 -7.954 -3.461 1.00 0.00 O ATOM 0 H GLU A 7 6.045 -4.802 -3.147 1.00 0.00 H new ATOM 0 HA GLU A 7 8.105 -6.476 -1.852 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.273 -7.906 -3.081 1.00 0.00 H new ATOM 0 HB3 GLU A 7 7.150 -7.368 -4.500 1.00 0.00 H new ATOM 0 HG2 GLU A 7 8.579 -8.597 -2.122 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.873 -9.590 -3.382 1.00 0.00 H new ATOM 131 N GLY A 8 9.550 -4.858 -3.080 1.00 0.00 N ATOM 132 CA GLY A 8 10.480 -3.926 -3.701 1.00 0.00 C ATOM 133 C GLY A 8 10.846 -2.738 -2.805 1.00 0.00 C ATOM 134 O GLY A 8 11.750 -1.985 -3.162 1.00 0.00 O ATOM 0 H GLY A 8 9.912 -5.249 -2.210 1.00 0.00 H new ATOM 0 HA2 GLY A 8 11.391 -4.460 -3.972 1.00 0.00 H new ATOM 0 HA3 GLY A 8 10.043 -3.551 -4.627 1.00 0.00 H new ATOM 138 N MET A 9 10.173 -2.508 -1.668 1.00 0.00 N ATOM 139 CA MET A 9 10.507 -1.387 -0.788 1.00 0.00 C ATOM 140 C MET A 9 11.806 -1.694 -0.038 1.00 0.00 C ATOM 141 O MET A 9 11.844 -2.664 0.726 1.00 0.00 O ATOM 142 CB MET A 9 9.402 -1.104 0.245 1.00 0.00 C ATOM 143 CG MET A 9 8.043 -0.767 -0.367 1.00 0.00 C ATOM 144 SD MET A 9 6.875 -0.034 0.814 1.00 0.00 S ATOM 145 CE MET A 9 6.717 -1.391 2.007 1.00 0.00 C ATOM 0 H MET A 9 9.397 -3.083 -1.340 1.00 0.00 H new ATOM 0 HA MET A 9 10.617 -0.505 -1.419 1.00 0.00 H new ATOM 0 HB2 MET A 9 9.291 -1.976 0.890 1.00 0.00 H new ATOM 0 HB3 MET A 9 9.717 -0.276 0.880 1.00 0.00 H new ATOM 0 HG2 MET A 9 8.189 -0.076 -1.197 1.00 0.00 H new ATOM 0 HG3 MET A 9 7.605 -1.675 -0.782 1.00 0.00 H new ATOM 0 HE1 MET A 9 5.800 -1.264 2.583 1.00 0.00 H new ATOM 0 HE2 MET A 9 6.683 -2.341 1.474 1.00 0.00 H new ATOM 0 HE3 MET A 9 7.573 -1.384 2.682 1.00 0.00 H new ATOM 155 N THR A 10 12.822 -0.834 -0.178 1.00 0.00 N ATOM 156 CA THR A 10 14.119 -0.995 0.489 1.00 0.00 C ATOM 157 C THR A 10 14.491 0.185 1.399 1.00 0.00 C ATOM 158 O THR A 10 15.437 0.070 2.183 1.00 0.00 O ATOM 159 CB THR A 10 15.234 -1.247 -0.539 1.00 0.00 C ATOM 160 OG1 THR A 10 15.347 -0.161 -1.437 1.00 0.00 O ATOM 161 CG2 THR A 10 15.024 -2.542 -1.323 1.00 0.00 C ATOM 0 H THR A 10 12.766 0.000 -0.762 1.00 0.00 H new ATOM 0 HA THR A 10 14.017 -1.866 1.136 1.00 0.00 H new ATOM 0 HB THR A 10 16.160 -1.347 0.028 1.00 0.00 H new ATOM 0 HG1 THR A 10 16.063 -0.342 -2.081 1.00 0.00 H new ATOM 0 HG21 THR A 10 15.839 -2.672 -2.035 1.00 0.00 H new ATOM 0 HG22 THR A 10 15.006 -3.386 -0.633 1.00 0.00 H new ATOM 0 HG23 THR A 10 14.077 -2.492 -1.860 1.00 0.00 H new ATOM 169 N CYS A 11 13.776 1.316 1.321 1.00 0.00 N ATOM 170 CA CYS A 11 14.039 2.505 2.130 1.00 0.00 C ATOM 171 C CYS A 11 12.733 3.102 2.652 1.00 0.00 C ATOM 172 O CYS A 11 11.659 2.848 2.099 1.00 0.00 O ATOM 173 CB CYS A 11 14.746 3.582 1.283 1.00 0.00 C ATOM 174 SG CYS A 11 16.233 2.970 0.448 1.00 0.00 S ATOM 0 H CYS A 11 12.988 1.428 0.683 1.00 0.00 H new ATOM 0 HA CYS A 11 14.671 2.202 2.965 1.00 0.00 H new ATOM 0 HB2 CYS A 11 14.049 3.964 0.537 1.00 0.00 H new ATOM 0 HB3 CYS A 11 15.016 4.420 1.925 1.00 0.00 H new ATOM 0 HG CYS A 11 16.769 3.931 -0.244 1.00 0.00 H new ATOM 180 N ASN A 12 12.841 4.001 3.638 1.00 0.00 N ATOM 181 CA ASN A 12 11.705 4.699 4.254 1.00 0.00 C ATOM 182 C ASN A 12 10.965 5.517 3.189 1.00 0.00 C ATOM 183 O ASN A 12 9.768 5.786 3.315 1.00 0.00 O ATOM 184 CB ASN A 12 12.157 5.665 5.368 1.00 0.00 C ATOM 185 CG ASN A 12 12.831 5.012 6.573 1.00 0.00 C ATOM 186 OD1 ASN A 12 12.964 3.794 6.665 1.00 0.00 O ATOM 187 ND2 ASN A 12 13.369 5.814 7.471 1.00 0.00 N ATOM 0 H ASN A 12 13.740 4.269 4.039 1.00 0.00 H new ATOM 0 HA ASN A 12 11.056 3.939 4.689 1.00 0.00 H new ATOM 0 HB2 ASN A 12 12.847 6.391 4.937 1.00 0.00 H new ATOM 0 HB3 ASN A 12 11.287 6.221 5.718 1.00 0.00 H new ATOM 0 HD21 ASN A 12 13.900 5.424 8.250 1.00 0.00 H new ATOM 0 HD22 ASN A 12 13.254 6.824 7.387 1.00 0.00 H new ATOM 194 N HIS A 13 11.678 5.947 2.143 1.00 0.00 N ATOM 195 CA HIS A 13 11.121 6.714 1.040 1.00 0.00 C ATOM 196 C HIS A 13 10.048 5.911 0.320 1.00 0.00 C ATOM 197 O HIS A 13 9.007 6.468 -0.007 1.00 0.00 O ATOM 198 CB HIS A 13 12.214 7.105 0.046 1.00 0.00 C ATOM 199 CG HIS A 13 12.570 8.552 0.165 1.00 0.00 C ATOM 200 ND1 HIS A 13 12.012 9.582 -0.552 1.00 0.00 N ATOM 201 CD2 HIS A 13 13.491 9.083 1.017 1.00 0.00 C ATOM 202 CE1 HIS A 13 12.612 10.717 -0.170 1.00 0.00 C ATOM 203 NE2 HIS A 13 13.542 10.458 0.770 1.00 0.00 N ATOM 0 H HIS A 13 12.677 5.765 2.044 1.00 0.00 H new ATOM 0 HA HIS A 13 10.676 7.619 1.454 1.00 0.00 H new ATOM 0 HB2 HIS A 13 13.101 6.495 0.220 1.00 0.00 H new ATOM 0 HB3 HIS A 13 11.877 6.894 -0.969 1.00 0.00 H new ATOM 0 HD2 HIS A 13 14.074 8.542 1.748 1.00 0.00 H new ATOM 0 HE1 HIS A 13 12.383 11.698 -0.559 1.00 0.00 H new ATOM 0 HE2 HIS A 13 14.163 11.134 1.215 1.00 0.00 H new ATOM 211 N CYS A 14 10.281 4.619 0.089 1.00 0.00 N ATOM 212 CA CYS A 14 9.325 3.766 -0.593 1.00 0.00 C ATOM 213 C CYS A 14 8.029 3.689 0.205 1.00 0.00 C ATOM 214 O CYS A 14 6.946 3.764 -0.369 1.00 0.00 O ATOM 215 CB CYS A 14 9.926 2.377 -0.783 1.00 0.00 C ATOM 216 SG CYS A 14 11.527 2.532 -1.612 1.00 0.00 S ATOM 0 H CYS A 14 11.137 4.141 0.371 1.00 0.00 H new ATOM 0 HA CYS A 14 9.097 4.187 -1.572 1.00 0.00 H new ATOM 0 HB2 CYS A 14 10.048 1.885 0.182 1.00 0.00 H new ATOM 0 HB3 CYS A 14 9.255 1.755 -1.375 1.00 0.00 H new ATOM 0 HG CYS A 14 11.949 1.354 -1.965 1.00 0.00 H new ATOM 222 N VAL A 15 8.147 3.590 1.532 1.00 0.00 N ATOM 223 CA VAL A 15 7.008 3.515 2.430 1.00 0.00 C ATOM 224 C VAL A 15 6.168 4.780 2.248 1.00 0.00 C ATOM 225 O VAL A 15 4.969 4.677 1.992 1.00 0.00 O ATOM 226 CB VAL A 15 7.475 3.324 3.889 1.00 0.00 C ATOM 227 CG1 VAL A 15 6.298 3.107 4.847 1.00 0.00 C ATOM 228 CG2 VAL A 15 8.415 2.121 4.024 1.00 0.00 C ATOM 0 H VAL A 15 9.047 3.560 2.010 1.00 0.00 H new ATOM 0 HA VAL A 15 6.391 2.649 2.192 1.00 0.00 H new ATOM 0 HB VAL A 15 7.998 4.243 4.155 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.674 2.977 5.862 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.637 3.973 4.813 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.745 2.216 4.548 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.724 2.016 5.064 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.896 1.216 3.707 1.00 0.00 H new ATOM 0 HG23 VAL A 15 9.294 2.274 3.398 1.00 0.00 H new ATOM 238 N MET A 16 6.766 5.975 2.352 1.00 0.00 N ATOM 239 CA MET A 16 6.000 7.207 2.188 1.00 0.00 C ATOM 240 C MET A 16 5.455 7.326 0.765 1.00 0.00 C ATOM 241 O MET A 16 4.287 7.662 0.591 1.00 0.00 O ATOM 242 CB MET A 16 6.773 8.459 2.636 1.00 0.00 C ATOM 243 CG MET A 16 8.038 8.795 1.845 1.00 0.00 C ATOM 244 SD MET A 16 8.903 10.298 2.382 1.00 0.00 S ATOM 245 CE MET A 16 7.715 11.570 1.884 1.00 0.00 C ATOM 0 H MET A 16 7.759 6.109 2.545 1.00 0.00 H new ATOM 0 HA MET A 16 5.145 7.146 2.861 1.00 0.00 H new ATOM 0 HB2 MET A 16 6.099 9.314 2.583 1.00 0.00 H new ATOM 0 HB3 MET A 16 7.048 8.335 3.683 1.00 0.00 H new ATOM 0 HG2 MET A 16 8.727 7.953 1.915 1.00 0.00 H new ATOM 0 HG3 MET A 16 7.773 8.903 0.793 1.00 0.00 H new ATOM 0 HE1 MET A 16 8.179 12.553 1.965 1.00 0.00 H new ATOM 0 HE2 MET A 16 7.408 11.398 0.852 1.00 0.00 H new ATOM 0 HE3 MET A 16 6.841 11.526 2.534 1.00 0.00 H new ATOM 255 N ALA A 17 6.257 7.023 -0.255 1.00 0.00 N ATOM 256 CA ALA A 17 5.856 7.103 -1.649 1.00 0.00 C ATOM 257 C ALA A 17 4.596 6.273 -1.883 1.00 0.00 C ATOM 258 O ALA A 17 3.563 6.812 -2.293 1.00 0.00 O ATOM 259 CB ALA A 17 7.008 6.638 -2.538 1.00 0.00 C ATOM 0 H ALA A 17 7.219 6.710 -0.128 1.00 0.00 H new ATOM 0 HA ALA A 17 5.622 8.136 -1.906 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.707 6.698 -3.584 1.00 0.00 H new ATOM 0 HB2 ALA A 17 7.876 7.277 -2.373 1.00 0.00 H new ATOM 0 HB3 ALA A 17 7.264 5.607 -2.292 1.00 0.00 H new ATOM 265 N VAL A 18 4.651 4.977 -1.572 1.00 0.00 N ATOM 266 CA VAL A 18 3.508 4.104 -1.753 1.00 0.00 C ATOM 267 C VAL A 18 2.329 4.600 -0.903 1.00 0.00 C ATOM 268 O VAL A 18 1.199 4.612 -1.378 1.00 0.00 O ATOM 269 CB VAL A 18 3.925 2.635 -1.542 1.00 0.00 C ATOM 270 CG1 VAL A 18 3.993 2.153 -0.098 1.00 0.00 C ATOM 271 CG2 VAL A 18 2.916 1.739 -2.236 1.00 0.00 C ATOM 0 H VAL A 18 5.479 4.516 -1.194 1.00 0.00 H new ATOM 0 HA VAL A 18 3.141 4.139 -2.779 1.00 0.00 H new ATOM 0 HB VAL A 18 4.937 2.583 -1.943 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.297 1.106 -0.078 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.719 2.752 0.452 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.012 2.255 0.366 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.198 0.696 -2.095 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.927 1.908 -1.811 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.897 1.969 -3.301 1.00 0.00 H new ATOM 281 N THR A 19 2.573 5.094 0.313 1.00 0.00 N ATOM 282 CA THR A 19 1.534 5.609 1.202 1.00 0.00 C ATOM 283 C THR A 19 0.766 6.751 0.518 1.00 0.00 C ATOM 284 O THR A 19 -0.460 6.805 0.627 1.00 0.00 O ATOM 285 CB THR A 19 2.165 6.030 2.543 1.00 0.00 C ATOM 286 OG1 THR A 19 2.661 4.894 3.205 1.00 0.00 O ATOM 287 CG2 THR A 19 1.212 6.719 3.514 1.00 0.00 C ATOM 0 H THR A 19 3.511 5.147 0.711 1.00 0.00 H new ATOM 0 HA THR A 19 0.804 4.829 1.417 1.00 0.00 H new ATOM 0 HB THR A 19 2.941 6.747 2.273 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.595 4.747 2.947 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.747 6.977 4.428 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.818 7.626 3.055 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.388 6.047 3.754 1.00 0.00 H new ATOM 295 N LYS A 20 1.443 7.670 -0.181 1.00 0.00 N ATOM 296 CA LYS A 20 0.768 8.775 -0.867 1.00 0.00 C ATOM 297 C LYS A 20 -0.071 8.254 -2.023 1.00 0.00 C ATOM 298 O LYS A 20 -1.211 8.690 -2.187 1.00 0.00 O ATOM 299 CB LYS A 20 1.770 9.826 -1.386 1.00 0.00 C ATOM 300 CG LYS A 20 2.171 10.905 -0.368 1.00 0.00 C ATOM 301 CD LYS A 20 3.201 10.405 0.651 1.00 0.00 C ATOM 302 CE LYS A 20 3.560 11.390 1.763 1.00 0.00 C ATOM 303 NZ LYS A 20 4.022 12.696 1.258 1.00 0.00 N ATOM 0 H LYS A 20 2.458 7.669 -0.286 1.00 0.00 H new ATOM 0 HA LYS A 20 0.119 9.258 -0.136 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.671 9.312 -1.721 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.339 10.315 -2.260 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.579 11.765 -0.899 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.281 11.249 0.160 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.820 9.492 1.108 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.113 10.138 0.118 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.688 11.542 2.400 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.339 10.954 2.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.249 13.318 2.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.871 12.561 0.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.272 13.131 0.684 1.00 0.00 H new ATOM 317 N ALA A 21 0.478 7.330 -2.806 1.00 0.00 N ATOM 318 CA ALA A 21 -0.209 6.757 -3.942 1.00 0.00 C ATOM 319 C ALA A 21 -1.435 5.962 -3.472 1.00 0.00 C ATOM 320 O ALA A 21 -2.498 6.059 -4.076 1.00 0.00 O ATOM 321 CB ALA A 21 0.802 5.952 -4.753 1.00 0.00 C ATOM 0 H ALA A 21 1.418 6.961 -2.663 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.610 7.524 -4.604 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.306 5.509 -5.617 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.603 6.609 -5.092 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.221 5.161 -4.131 1.00 0.00 H new ATOM 327 N LEU A 22 -1.368 5.261 -2.333 1.00 0.00 N ATOM 328 CA LEU A 22 -2.501 4.492 -1.819 1.00 0.00 C ATOM 329 C LEU A 22 -3.645 5.462 -1.517 1.00 0.00 C ATOM 330 O LEU A 22 -4.815 5.162 -1.764 1.00 0.00 O ATOM 331 CB LEU A 22 -2.113 3.635 -0.587 1.00 0.00 C ATOM 332 CG LEU A 22 -1.502 2.255 -0.933 1.00 0.00 C ATOM 333 CD1 LEU A 22 -0.933 1.534 0.285 1.00 0.00 C ATOM 334 CD2 LEU A 22 -2.507 1.292 -1.575 1.00 0.00 C ATOM 0 H LEU A 22 -0.533 5.213 -1.749 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.828 3.777 -2.574 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.399 4.193 0.018 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.000 3.482 0.028 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.709 2.500 -1.639 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.519 0.573 -0.021 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.147 2.141 0.733 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.726 1.371 1.015 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.015 0.344 -1.792 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.337 1.121 -0.889 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.885 1.725 -2.501 1.00 0.00 H new ATOM 346 N LYS A 23 -3.337 6.668 -1.037 1.00 0.00 N ATOM 347 CA LYS A 23 -4.350 7.671 -0.729 1.00 0.00 C ATOM 348 C LYS A 23 -5.027 8.224 -1.990 1.00 0.00 C ATOM 349 O LYS A 23 -5.948 9.033 -1.863 1.00 0.00 O ATOM 350 CB LYS A 23 -3.762 8.805 0.127 1.00 0.00 C ATOM 351 CG LYS A 23 -3.261 8.327 1.499 1.00 0.00 C ATOM 352 CD LYS A 23 -2.400 9.417 2.156 1.00 0.00 C ATOM 353 CE LYS A 23 -1.496 8.903 3.281 1.00 0.00 C ATOM 354 NZ LYS A 23 -2.246 8.299 4.397 1.00 0.00 N ATOM 0 H LYS A 23 -2.381 6.973 -0.852 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.125 7.171 -0.148 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.937 9.269 -0.413 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.521 9.574 0.272 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.109 8.086 2.141 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.679 7.413 1.384 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.780 9.886 1.392 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.055 10.192 2.555 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.805 8.165 2.874 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.894 9.729 3.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.687 8.373 5.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.149 8.800 4.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.431 7.297 4.189 1.00 0.00 H new ATOM 368 N LYS A 24 -4.578 7.896 -3.206 1.00 0.00 N ATOM 369 CA LYS A 24 -5.208 8.373 -4.446 1.00 0.00 C ATOM 370 C LYS A 24 -6.540 7.659 -4.686 1.00 0.00 C ATOM 371 O LYS A 24 -7.355 8.130 -5.482 1.00 0.00 O ATOM 372 CB LYS A 24 -4.314 8.044 -5.659 1.00 0.00 C ATOM 373 CG LYS A 24 -2.916 8.685 -5.648 1.00 0.00 C ATOM 374 CD LYS A 24 -2.869 10.111 -6.195 1.00 0.00 C ATOM 375 CE LYS A 24 -3.114 10.116 -7.710 1.00 0.00 C ATOM 376 NZ LYS A 24 -3.118 11.479 -8.273 1.00 0.00 N ATOM 0 H LYS A 24 -3.769 7.294 -3.360 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.355 9.448 -4.339 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.197 6.962 -5.719 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.831 8.359 -6.565 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.540 8.689 -4.625 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.240 8.062 -6.234 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.622 10.722 -5.697 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.899 10.559 -5.976 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.342 9.524 -8.202 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.069 9.635 -7.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.287 11.431 -9.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.871 12.038 -7.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.198 11.931 -8.095 1.00 0.00 H new ATOM 390 N VAL A 25 -6.777 6.525 -4.030 1.00 0.00 N ATOM 391 CA VAL A 25 -7.992 5.742 -4.227 1.00 0.00 C ATOM 392 C VAL A 25 -9.240 6.318 -3.553 1.00 0.00 C ATOM 393 O VAL A 25 -9.195 6.631 -2.364 1.00 0.00 O ATOM 394 CB VAL A 25 -7.682 4.302 -3.808 1.00 0.00 C ATOM 395 CG1 VAL A 25 -8.904 3.389 -3.765 1.00 0.00 C ATOM 396 CG2 VAL A 25 -6.668 3.740 -4.814 1.00 0.00 C ATOM 0 H VAL A 25 -6.132 6.125 -3.348 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.265 5.776 -5.282 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.295 4.329 -2.790 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.600 2.388 -3.460 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.627 3.782 -3.050 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.359 3.344 -4.754 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.422 2.712 -4.547 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.098 3.762 -5.815 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.762 4.346 -4.795 1.00 0.00 H new ATOM 406 N PRO A 26 -10.383 6.387 -4.264 1.00 0.00 N ATOM 407 CA PRO A 26 -11.623 6.909 -3.715 1.00 0.00 C ATOM 408 C PRO A 26 -12.206 6.020 -2.613 1.00 0.00 C ATOM 409 O PRO A 26 -12.740 4.937 -2.867 1.00 0.00 O ATOM 410 CB PRO A 26 -12.583 7.070 -4.897 1.00 0.00 C ATOM 411 CG PRO A 26 -12.077 6.052 -5.914 1.00 0.00 C ATOM 412 CD PRO A 26 -10.572 6.053 -5.674 1.00 0.00 C ATOM 0 HA PRO A 26 -11.446 7.865 -3.222 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -13.614 6.867 -4.606 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.558 8.083 -5.298 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -12.512 5.066 -5.750 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.324 6.343 -6.935 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -10.141 5.079 -5.904 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -10.076 6.781 -6.316 1.00 0.00 H new ATOM 420 N GLY A 27 -12.122 6.498 -1.377 1.00 0.00 N ATOM 421 CA GLY A 27 -12.629 5.849 -0.175 1.00 0.00 C ATOM 422 C GLY A 27 -11.576 5.697 0.913 1.00 0.00 C ATOM 423 O GLY A 27 -11.919 5.445 2.064 1.00 0.00 O ATOM 0 H GLY A 27 -11.676 7.393 -1.177 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.466 6.427 0.217 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -13.016 4.864 -0.437 1.00 0.00 H new ATOM 427 N VAL A 28 -10.286 5.801 0.596 1.00 0.00 N ATOM 428 CA VAL A 28 -9.243 5.672 1.607 1.00 0.00 C ATOM 429 C VAL A 28 -9.366 6.781 2.666 1.00 0.00 C ATOM 430 O VAL A 28 -9.660 7.934 2.346 1.00 0.00 O ATOM 431 CB VAL A 28 -7.880 5.666 0.914 1.00 0.00 C ATOM 432 CG1 VAL A 28 -7.619 6.979 0.181 1.00 0.00 C ATOM 433 CG2 VAL A 28 -6.759 5.348 1.911 1.00 0.00 C ATOM 0 H VAL A 28 -9.941 5.973 -0.348 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.356 4.730 2.143 1.00 0.00 H new ATOM 0 HB VAL A 28 -7.893 4.875 0.164 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.642 6.939 -0.300 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.389 7.133 -0.575 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.640 7.804 0.893 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.800 5.350 1.393 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.748 6.102 2.698 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.932 4.366 2.351 1.00 0.00 H new ATOM 443 N GLU A 29 -9.061 6.453 3.924 1.00 0.00 N ATOM 444 CA GLU A 29 -9.116 7.383 5.049 1.00 0.00 C ATOM 445 C GLU A 29 -7.738 7.432 5.705 1.00 0.00 C ATOM 446 O GLU A 29 -7.143 8.505 5.796 1.00 0.00 O ATOM 447 CB GLU A 29 -10.267 7.024 5.996 1.00 0.00 C ATOM 448 CG GLU A 29 -11.592 7.128 5.234 1.00 0.00 C ATOM 449 CD GLU A 29 -12.792 7.176 6.162 1.00 0.00 C ATOM 450 OE1 GLU A 29 -13.068 8.255 6.727 1.00 0.00 O ATOM 451 OE2 GLU A 29 -13.533 6.172 6.260 1.00 0.00 O ATOM 0 H GLU A 29 -8.763 5.515 4.192 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.344 8.395 4.715 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.134 6.014 6.384 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.272 7.697 6.854 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.581 8.023 4.612 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.690 6.275 4.562 1.00 0.00 H new ATOM 458 N LYS A 30 -7.184 6.281 6.102 1.00 0.00 N ATOM 459 CA LYS A 30 -5.858 6.167 6.709 1.00 0.00 C ATOM 460 C LYS A 30 -5.214 4.909 6.134 1.00 0.00 C ATOM 461 O LYS A 30 -5.932 3.985 5.724 1.00 0.00 O ATOM 462 CB LYS A 30 -5.943 6.177 8.249 1.00 0.00 C ATOM 463 CG LYS A 30 -4.586 6.479 8.914 1.00 0.00 C ATOM 464 CD LYS A 30 -4.680 6.847 10.407 1.00 0.00 C ATOM 465 CE LYS A 30 -5.360 8.205 10.631 1.00 0.00 C ATOM 466 NZ LYS A 30 -5.423 8.599 12.054 1.00 0.00 N ATOM 0 H LYS A 30 -7.658 5.383 6.007 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.232 7.026 6.469 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.672 6.923 8.564 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.306 5.210 8.596 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -3.940 5.608 8.807 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -4.107 7.299 8.379 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.237 6.073 10.935 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.679 6.869 10.837 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.821 8.970 10.073 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.371 8.168 10.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.893 9.523 12.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.962 7.887 12.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.459 8.664 12.439 1.00 0.00 H new ATOM 480 N VAL A 31 -3.885 4.916 6.042 1.00 0.00 N ATOM 481 CA VAL A 31 -3.082 3.822 5.513 1.00 0.00 C ATOM 482 C VAL A 31 -1.936 3.602 6.500 1.00 0.00 C ATOM 483 O VAL A 31 -1.385 4.586 6.994 1.00 0.00 O ATOM 484 CB VAL A 31 -2.526 4.178 4.115 1.00 0.00 C ATOM 485 CG1 VAL A 31 -1.951 2.968 3.377 1.00 0.00 C ATOM 486 CG2 VAL A 31 -3.547 4.858 3.185 1.00 0.00 C ATOM 0 H VAL A 31 -3.322 5.711 6.344 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.683 2.920 5.400 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.732 4.890 4.339 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.576 3.281 2.402 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.135 2.541 3.959 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.732 2.219 3.243 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.077 5.074 2.225 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.398 4.194 3.031 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.890 5.788 3.639 1.00 0.00 H new ATOM 496 N GLU A 32 -1.520 2.363 6.752 1.00 0.00 N ATOM 497 CA GLU A 32 -0.440 2.024 7.671 1.00 0.00 C ATOM 498 C GLU A 32 0.535 1.114 6.917 1.00 0.00 C ATOM 499 O GLU A 32 0.291 -0.086 6.787 1.00 0.00 O ATOM 500 CB GLU A 32 -1.023 1.404 8.965 1.00 0.00 C ATOM 501 CG GLU A 32 -0.345 1.924 10.237 1.00 0.00 C ATOM 502 CD GLU A 32 1.167 1.756 10.196 1.00 0.00 C ATOM 503 OE1 GLU A 32 1.668 0.647 10.492 1.00 0.00 O ATOM 504 OE2 GLU A 32 1.846 2.738 9.827 1.00 0.00 O ATOM 0 H GLU A 32 -1.938 1.545 6.309 1.00 0.00 H new ATOM 0 HA GLU A 32 0.114 2.902 8.002 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.090 1.619 9.015 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.918 0.320 8.921 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.588 2.978 10.370 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.744 1.393 11.102 1.00 0.00 H new ATOM 511 N VAL A 33 1.614 1.672 6.362 1.00 0.00 N ATOM 512 CA VAL A 33 2.622 0.927 5.600 1.00 0.00 C ATOM 513 C VAL A 33 3.911 0.831 6.423 1.00 0.00 C ATOM 514 O VAL A 33 4.181 1.715 7.242 1.00 0.00 O ATOM 515 CB VAL A 33 2.848 1.592 4.221 1.00 0.00 C ATOM 516 CG1 VAL A 33 3.634 0.681 3.267 1.00 0.00 C ATOM 517 CG2 VAL A 33 1.528 1.971 3.527 1.00 0.00 C ATOM 0 H VAL A 33 1.816 2.670 6.430 1.00 0.00 H new ATOM 0 HA VAL A 33 2.274 -0.088 5.408 1.00 0.00 H new ATOM 0 HB VAL A 33 3.420 2.495 4.432 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.770 1.186 2.311 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.608 0.455 3.700 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.082 -0.246 3.112 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.743 2.434 2.564 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.928 1.074 3.373 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.977 2.674 4.152 1.00 0.00 H new ATOM 527 N SER A 34 4.725 -0.208 6.213 1.00 0.00 N ATOM 528 CA SER A 34 5.966 -0.398 6.952 1.00 0.00 C ATOM 529 C SER A 34 7.031 -1.059 6.075 1.00 0.00 C ATOM 530 O SER A 34 6.710 -1.995 5.342 1.00 0.00 O ATOM 531 CB SER A 34 5.607 -1.261 8.161 1.00 0.00 C ATOM 532 OG SER A 34 6.578 -1.210 9.174 1.00 0.00 O ATOM 0 H SER A 34 4.538 -0.938 5.525 1.00 0.00 H new ATOM 0 HA SER A 34 6.395 0.553 7.270 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.650 -0.932 8.565 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.479 -2.294 7.839 1.00 0.00 H new ATOM 0 HG SER A 34 6.149 -1.340 10.045 1.00 0.00 H new ATOM 538 N LEU A 35 8.288 -0.597 6.153 1.00 0.00 N ATOM 539 CA LEU A 35 9.417 -1.129 5.383 1.00 0.00 C ATOM 540 C LEU A 35 9.752 -2.547 5.840 1.00 0.00 C ATOM 541 O LEU A 35 9.831 -3.468 5.025 1.00 0.00 O ATOM 542 CB LEU A 35 10.660 -0.230 5.561 1.00 0.00 C ATOM 543 CG LEU A 35 11.935 -0.770 4.887 1.00 0.00 C ATOM 544 CD1 LEU A 35 11.765 -0.867 3.369 1.00 0.00 C ATOM 545 CD2 LEU A 35 13.120 0.151 5.200 1.00 0.00 C ATOM 0 H LEU A 35 8.551 0.174 6.767 1.00 0.00 H new ATOM 0 HA LEU A 35 9.132 -1.147 4.331 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.440 0.758 5.157 1.00 0.00 H new ATOM 0 HB3 LEU A 35 10.852 -0.103 6.626 1.00 0.00 H new ATOM 0 HG LEU A 35 12.122 -1.769 5.281 1.00 0.00 H new ATOM 0 HD11 LEU A 35 12.683 -1.251 2.924 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.940 -1.540 3.138 1.00 0.00 H new ATOM 0 HD13 LEU A 35 11.551 0.122 2.963 1.00 0.00 H new ATOM 0 HD21 LEU A 35 14.019 -0.237 4.720 1.00 0.00 H new ATOM 0 HD22 LEU A 35 12.911 1.153 4.824 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.274 0.193 6.278 1.00 0.00 H new ATOM 557 N GLU A 36 9.938 -2.703 7.151 1.00 0.00 N ATOM 558 CA GLU A 36 10.273 -3.953 7.819 1.00 0.00 C ATOM 559 C GLU A 36 9.216 -5.032 7.573 1.00 0.00 C ATOM 560 O GLU A 36 9.559 -6.202 7.400 1.00 0.00 O ATOM 561 CB GLU A 36 10.476 -3.692 9.321 1.00 0.00 C ATOM 562 CG GLU A 36 9.205 -3.199 10.027 1.00 0.00 C ATOM 563 CD GLU A 36 9.451 -2.137 11.093 1.00 0.00 C ATOM 564 OE1 GLU A 36 10.021 -1.054 10.804 1.00 0.00 O ATOM 565 OE2 GLU A 36 8.956 -2.332 12.226 1.00 0.00 O ATOM 0 H GLU A 36 9.854 -1.923 7.803 1.00 0.00 H new ATOM 0 HA GLU A 36 11.203 -4.334 7.398 1.00 0.00 H new ATOM 0 HB2 GLU A 36 10.817 -4.610 9.800 1.00 0.00 H new ATOM 0 HB3 GLU A 36 11.266 -2.952 9.451 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.522 -2.795 9.280 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.706 -4.051 10.488 1.00 0.00 H new ATOM 572 N LYS A 37 7.933 -4.659 7.546 1.00 0.00 N ATOM 573 CA LYS A 37 6.856 -5.613 7.312 1.00 0.00 C ATOM 574 C LYS A 37 6.617 -5.797 5.818 1.00 0.00 C ATOM 575 O LYS A 37 6.185 -6.871 5.405 1.00 0.00 O ATOM 576 CB LYS A 37 5.573 -5.172 8.031 1.00 0.00 C ATOM 577 CG LYS A 37 5.829 -4.902 9.526 1.00 0.00 C ATOM 578 CD LYS A 37 4.550 -4.829 10.361 1.00 0.00 C ATOM 579 CE LYS A 37 3.754 -3.560 10.048 1.00 0.00 C ATOM 580 NZ LYS A 37 2.568 -3.433 10.913 1.00 0.00 N ATOM 0 H LYS A 37 7.619 -3.698 7.684 1.00 0.00 H new ATOM 0 HA LYS A 37 7.154 -6.577 7.725 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.181 -4.271 7.559 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.811 -5.944 7.925 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.469 -5.689 9.925 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.375 -3.964 9.629 1.00 0.00 H new ATOM 0 HD2 LYS A 37 3.933 -5.706 10.163 1.00 0.00 H new ATOM 0 HD3 LYS A 37 4.803 -4.850 11.421 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.394 -2.688 10.178 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.443 -3.574 9.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.054 -2.562 10.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 1.945 -4.253 10.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 2.867 -3.394 11.908 1.00 0.00 H new ATOM 594 N GLY A 38 6.939 -4.795 4.995 1.00 0.00 N ATOM 595 CA GLY A 38 6.731 -4.854 3.558 1.00 0.00 C ATOM 596 C GLY A 38 5.242 -5.041 3.282 1.00 0.00 C ATOM 597 O GLY A 38 4.859 -5.774 2.368 1.00 0.00 O ATOM 0 H GLY A 38 7.353 -3.919 5.315 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.090 -3.939 3.087 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.301 -5.678 3.128 1.00 0.00 H new ATOM 601 N GLU A 39 4.387 -4.436 4.108 1.00 0.00 N ATOM 602 CA GLU A 39 2.945 -4.544 3.984 1.00 0.00 C ATOM 603 C GLU A 39 2.333 -3.162 4.133 1.00 0.00 C ATOM 604 O GLU A 39 2.952 -2.254 4.697 1.00 0.00 O ATOM 605 CB GLU A 39 2.388 -5.523 5.036 1.00 0.00 C ATOM 606 CG GLU A 39 2.588 -6.987 4.618 1.00 0.00 C ATOM 607 CD GLU A 39 2.178 -7.971 5.716 1.00 0.00 C ATOM 608 OE1 GLU A 39 0.976 -8.026 6.068 1.00 0.00 O ATOM 609 OE2 GLU A 39 3.058 -8.710 6.213 1.00 0.00 O ATOM 0 H GLU A 39 4.687 -3.852 4.889 1.00 0.00 H new ATOM 0 HA GLU A 39 2.685 -4.940 3.002 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.881 -5.348 5.992 1.00 0.00 H new ATOM 0 HB3 GLU A 39 1.326 -5.330 5.185 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.006 -7.188 3.719 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.635 -7.149 4.362 1.00 0.00 H new ATOM 616 N ALA A 40 1.116 -3.033 3.609 1.00 0.00 N ATOM 617 CA ALA A 40 0.296 -1.841 3.605 1.00 0.00 C ATOM 618 C ALA A 40 -1.081 -2.230 4.124 1.00 0.00 C ATOM 619 O ALA A 40 -1.643 -3.255 3.720 1.00 0.00 O ATOM 620 CB ALA A 40 0.202 -1.282 2.184 1.00 0.00 C ATOM 0 H ALA A 40 0.653 -3.816 3.147 1.00 0.00 H new ATOM 0 HA ALA A 40 0.729 -1.067 4.239 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.417 -0.384 2.186 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.200 -1.034 1.824 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.245 -2.029 1.528 1.00 0.00 H new ATOM 626 N LEU A 41 -1.640 -1.417 5.014 1.00 0.00 N ATOM 627 CA LEU A 41 -2.946 -1.637 5.623 1.00 0.00 C ATOM 628 C LEU A 41 -3.796 -0.421 5.307 1.00 0.00 C ATOM 629 O LEU A 41 -3.253 0.680 5.278 1.00 0.00 O ATOM 630 CB LEU A 41 -2.816 -1.759 7.150 1.00 0.00 C ATOM 631 CG LEU A 41 -2.319 -3.084 7.746 1.00 0.00 C ATOM 632 CD1 LEU A 41 -3.356 -4.188 7.553 1.00 0.00 C ATOM 633 CD2 LEU A 41 -0.951 -3.535 7.217 1.00 0.00 C ATOM 0 H LEU A 41 -1.185 -0.564 5.340 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.388 -2.555 5.237 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.142 -0.972 7.488 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.794 -1.549 7.582 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.181 -2.893 8.810 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.982 -5.117 7.983 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.284 -3.906 8.050 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.543 -4.330 6.488 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.672 -4.478 7.687 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.005 -3.670 6.137 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.203 -2.778 7.451 1.00 0.00 H new ATOM 645 N VAL A 42 -5.107 -0.583 5.125 1.00 0.00 N ATOM 646 CA VAL A 42 -6.010 0.527 4.827 1.00 0.00 C ATOM 647 C VAL A 42 -7.235 0.440 5.728 1.00 0.00 C ATOM 648 O VAL A 42 -7.791 -0.640 5.911 1.00 0.00 O ATOM 649 CB VAL A 42 -6.378 0.517 3.327 1.00 0.00 C ATOM 650 CG1 VAL A 42 -7.538 1.470 2.998 1.00 0.00 C ATOM 651 CG2 VAL A 42 -5.163 0.942 2.499 1.00 0.00 C ATOM 0 H VAL A 42 -5.572 -1.489 5.180 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.519 1.479 5.030 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.690 -0.499 3.084 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.755 1.424 1.931 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.423 1.174 3.562 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.260 2.489 3.268 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.423 0.935 1.441 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.857 1.947 2.791 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.342 0.248 2.675 1.00 0.00 H new ATOM 661 N GLU A 43 -7.648 1.591 6.268 1.00 0.00 N ATOM 662 CA GLU A 43 -8.810 1.732 7.146 1.00 0.00 C ATOM 663 C GLU A 43 -10.014 2.323 6.394 1.00 0.00 C ATOM 664 O GLU A 43 -11.138 2.274 6.892 1.00 0.00 O ATOM 665 CB GLU A 43 -8.412 2.620 8.339 1.00 0.00 C ATOM 666 CG GLU A 43 -9.551 2.804 9.359 1.00 0.00 C ATOM 667 CD GLU A 43 -9.091 3.332 10.720 1.00 0.00 C ATOM 668 OE1 GLU A 43 -8.158 4.157 10.820 1.00 0.00 O ATOM 669 OE2 GLU A 43 -9.602 2.838 11.752 1.00 0.00 O ATOM 0 H GLU A 43 -7.168 2.475 6.100 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.117 0.749 7.503 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.550 2.180 8.841 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.101 3.597 7.970 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.288 3.492 8.945 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.053 1.847 9.503 1.00 0.00 H new ATOM 676 N GLY A 44 -9.809 2.894 5.205 1.00 0.00 N ATOM 677 CA GLY A 44 -10.892 3.489 4.431 1.00 0.00 C ATOM 678 C GLY A 44 -11.770 2.461 3.725 1.00 0.00 C ATOM 679 O GLY A 44 -11.610 1.252 3.893 1.00 0.00 O ATOM 0 H GLY A 44 -8.894 2.955 4.758 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -11.513 4.092 5.094 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.469 4.165 3.688 1.00 0.00 H new ATOM 683 N THR A 45 -12.706 2.957 2.927 1.00 0.00 N ATOM 684 CA THR A 45 -13.673 2.210 2.147 1.00 0.00 C ATOM 685 C THR A 45 -13.122 1.933 0.744 1.00 0.00 C ATOM 686 O THR A 45 -13.866 1.536 -0.157 1.00 0.00 O ATOM 687 CB THR A 45 -15.000 2.991 2.135 1.00 0.00 C ATOM 688 OG1 THR A 45 -14.788 4.323 1.701 1.00 0.00 O ATOM 689 CG2 THR A 45 -15.659 3.010 3.523 1.00 0.00 C ATOM 0 H THR A 45 -12.814 3.964 2.802 1.00 0.00 H new ATOM 0 HA THR A 45 -13.864 1.234 2.594 1.00 0.00 H new ATOM 0 HB THR A 45 -15.668 2.480 1.441 1.00 0.00 H new ATOM 0 HG1 THR A 45 -15.641 4.806 1.697 1.00 0.00 H new ATOM 0 HG21 THR A 45 -16.593 3.570 3.475 1.00 0.00 H new ATOM 0 HG22 THR A 45 -15.865 1.988 3.842 1.00 0.00 H new ATOM 0 HG23 THR A 45 -14.987 3.485 4.238 1.00 0.00 H new ATOM 697 N ALA A 46 -11.818 2.168 0.526 1.00 0.00 N ATOM 698 CA ALA A 46 -11.191 1.919 -0.751 1.00 0.00 C ATOM 699 C ALA A 46 -11.401 0.454 -1.199 1.00 0.00 C ATOM 700 O ALA A 46 -11.498 -0.450 -0.361 1.00 0.00 O ATOM 701 CB ALA A 46 -9.700 2.214 -0.611 1.00 0.00 C ATOM 0 H ALA A 46 -11.184 2.534 1.236 1.00 0.00 H new ATOM 0 HA ALA A 46 -11.640 2.561 -1.509 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.202 2.033 -1.564 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.561 3.255 -0.321 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.271 1.564 0.152 1.00 0.00 H new ATOM 707 N ASP A 47 -11.469 0.227 -2.515 1.00 0.00 N ATOM 708 CA ASP A 47 -11.652 -1.107 -3.102 1.00 0.00 C ATOM 709 C ASP A 47 -10.321 -1.847 -3.095 1.00 0.00 C ATOM 710 O ASP A 47 -9.312 -1.226 -3.427 1.00 0.00 O ATOM 711 CB ASP A 47 -12.067 -1.038 -4.577 1.00 0.00 C ATOM 712 CG ASP A 47 -13.552 -1.273 -4.806 1.00 0.00 C ATOM 713 OD1 ASP A 47 -14.125 -2.244 -4.263 1.00 0.00 O ATOM 714 OD2 ASP A 47 -14.141 -0.507 -5.600 1.00 0.00 O ATOM 0 H ASP A 47 -11.398 0.970 -3.210 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.423 -1.602 -2.512 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.797 -0.060 -4.976 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -11.500 -1.779 -5.140 1.00 0.00 H new ATOM 719 N PRO A 48 -10.295 -3.167 -2.852 1.00 0.00 N ATOM 720 CA PRO A 48 -9.066 -3.955 -2.814 1.00 0.00 C ATOM 721 C PRO A 48 -8.286 -3.898 -4.125 1.00 0.00 C ATOM 722 O PRO A 48 -7.087 -3.631 -4.096 1.00 0.00 O ATOM 723 CB PRO A 48 -9.480 -5.379 -2.434 1.00 0.00 C ATOM 724 CG PRO A 48 -10.977 -5.410 -2.726 1.00 0.00 C ATOM 725 CD PRO A 48 -11.434 -3.984 -2.482 1.00 0.00 C ATOM 0 HA PRO A 48 -8.372 -3.547 -2.079 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -8.942 -6.123 -3.022 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -9.272 -5.590 -1.385 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -11.176 -5.722 -3.751 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -11.496 -6.112 -2.073 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.309 -3.740 -3.084 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.711 -3.829 -1.439 1.00 0.00 H new ATOM 733 N LYS A 49 -8.951 -4.099 -5.269 1.00 0.00 N ATOM 734 CA LYS A 49 -8.280 -4.049 -6.569 1.00 0.00 C ATOM 735 C LYS A 49 -7.620 -2.678 -6.782 1.00 0.00 C ATOM 736 O LYS A 49 -6.512 -2.582 -7.297 1.00 0.00 O ATOM 737 CB LYS A 49 -9.257 -4.437 -7.693 1.00 0.00 C ATOM 738 CG LYS A 49 -10.358 -3.394 -7.941 1.00 0.00 C ATOM 739 CD LYS A 49 -11.364 -3.818 -9.012 1.00 0.00 C ATOM 740 CE LYS A 49 -12.317 -2.635 -9.184 1.00 0.00 C ATOM 741 NZ LYS A 49 -13.450 -2.921 -10.076 1.00 0.00 N ATOM 0 H LYS A 49 -9.950 -4.297 -5.319 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.475 -4.784 -6.592 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.695 -4.586 -8.615 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.722 -5.391 -7.445 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.889 -3.208 -7.007 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.896 -2.453 -8.239 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -10.860 -4.053 -9.950 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -11.905 -4.714 -8.707 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -12.699 -2.341 -8.206 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.761 -1.784 -9.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -14.056 -2.079 -10.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -13.094 -3.174 -11.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -14.003 -3.713 -9.691 1.00 0.00 H new ATOM 755 N ALA A 50 -8.285 -1.599 -6.352 1.00 0.00 N ATOM 756 CA ALA A 50 -7.749 -0.255 -6.498 1.00 0.00 C ATOM 757 C ALA A 50 -6.523 -0.062 -5.600 1.00 0.00 C ATOM 758 O ALA A 50 -5.648 0.738 -5.933 1.00 0.00 O ATOM 759 CB ALA A 50 -8.835 0.773 -6.177 1.00 0.00 C ATOM 0 H ALA A 50 -9.198 -1.639 -5.899 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.429 -0.110 -7.530 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.429 1.778 -6.288 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -9.673 0.643 -6.862 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.179 0.631 -5.152 1.00 0.00 H new ATOM 765 N LEU A 51 -6.461 -0.764 -4.462 1.00 0.00 N ATOM 766 CA LEU A 51 -5.338 -0.662 -3.548 1.00 0.00 C ATOM 767 C LEU A 51 -4.086 -1.196 -4.228 1.00 0.00 C ATOM 768 O LEU A 51 -3.095 -0.479 -4.294 1.00 0.00 O ATOM 769 CB LEU A 51 -5.554 -1.406 -2.224 1.00 0.00 C ATOM 770 CG LEU A 51 -6.723 -0.984 -1.339 1.00 0.00 C ATOM 771 CD1 LEU A 51 -6.779 -1.855 -0.086 1.00 0.00 C ATOM 772 CD2 LEU A 51 -6.648 0.486 -0.976 1.00 0.00 C ATOM 0 H LEU A 51 -7.188 -1.412 -4.158 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.231 0.394 -3.299 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.676 -2.464 -2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.641 -1.311 -1.636 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.643 -1.129 -1.906 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.618 -1.543 0.537 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.909 -2.898 -0.374 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.851 -1.746 0.475 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.497 0.749 -0.345 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.721 0.681 -0.436 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.671 1.087 -1.885 1.00 0.00 H new ATOM 784 N VAL A 52 -4.122 -2.439 -4.719 1.00 0.00 N ATOM 785 CA VAL A 52 -2.970 -3.046 -5.380 1.00 0.00 C ATOM 786 C VAL A 52 -2.555 -2.196 -6.590 1.00 0.00 C ATOM 787 O VAL A 52 -1.368 -1.907 -6.745 1.00 0.00 O ATOM 788 CB VAL A 52 -3.248 -4.541 -5.683 1.00 0.00 C ATOM 789 CG1 VAL A 52 -4.544 -4.835 -6.443 1.00 0.00 C ATOM 790 CG2 VAL A 52 -2.105 -5.219 -6.437 1.00 0.00 C ATOM 0 H VAL A 52 -4.942 -3.044 -4.669 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.102 -3.052 -4.720 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.350 -4.956 -4.680 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.638 -5.909 -6.601 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.395 -4.478 -5.863 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.524 -4.327 -7.407 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.359 -6.263 -6.620 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.946 -4.712 -7.389 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.194 -5.166 -5.841 1.00 0.00 H new ATOM 800 N GLN A 53 -3.528 -1.722 -7.378 1.00 0.00 N ATOM 801 CA GLN A 53 -3.311 -0.889 -8.554 1.00 0.00 C ATOM 802 C GLN A 53 -2.422 0.307 -8.200 1.00 0.00 C ATOM 803 O GLN A 53 -1.403 0.537 -8.849 1.00 0.00 O ATOM 804 CB GLN A 53 -4.689 -0.428 -9.074 1.00 0.00 C ATOM 805 CG GLN A 53 -4.698 0.342 -10.401 1.00 0.00 C ATOM 806 CD GLN A 53 -3.931 1.662 -10.398 1.00 0.00 C ATOM 807 OE1 GLN A 53 -2.994 1.827 -11.168 1.00 0.00 O ATOM 808 NE2 GLN A 53 -4.310 2.641 -9.591 1.00 0.00 N ATOM 0 H GLN A 53 -4.514 -1.916 -7.205 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.798 -1.453 -9.333 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.323 -1.308 -9.186 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.148 0.201 -8.312 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.280 -0.300 -11.177 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -5.733 0.543 -10.678 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.091 2.500 -8.950 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -3.821 3.536 -9.610 1.00 0.00 H new ATOM 817 N ALA A 54 -2.800 1.057 -7.160 1.00 0.00 N ATOM 818 CA ALA A 54 -2.080 2.242 -6.718 1.00 0.00 C ATOM 819 C ALA A 54 -0.618 1.987 -6.325 1.00 0.00 C ATOM 820 O ALA A 54 0.186 2.922 -6.288 1.00 0.00 O ATOM 821 CB ALA A 54 -2.845 2.887 -5.563 1.00 0.00 C ATOM 0 H ALA A 54 -3.626 0.850 -6.598 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.028 2.916 -7.573 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.312 3.776 -5.225 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.843 3.168 -5.899 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.926 2.178 -4.739 1.00 0.00 H new ATOM 827 N VAL A 55 -0.253 0.762 -5.967 1.00 0.00 N ATOM 828 CA VAL A 55 1.098 0.397 -5.572 1.00 0.00 C ATOM 829 C VAL A 55 1.885 0.038 -6.833 1.00 0.00 C ATOM 830 O VAL A 55 3.057 0.401 -6.955 1.00 0.00 O ATOM 831 CB VAL A 55 1.036 -0.728 -4.522 1.00 0.00 C ATOM 832 CG1 VAL A 55 2.443 -1.153 -4.100 1.00 0.00 C ATOM 833 CG2 VAL A 55 0.245 -0.296 -3.279 1.00 0.00 C ATOM 0 H VAL A 55 -0.905 -0.022 -5.943 1.00 0.00 H new ATOM 0 HA VAL A 55 1.624 1.223 -5.093 1.00 0.00 H new ATOM 0 HB VAL A 55 0.524 -1.571 -4.986 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.376 -1.949 -3.358 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.990 -1.514 -4.971 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.967 -0.299 -3.670 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.222 -1.115 -2.560 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.725 0.572 -2.826 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.774 -0.038 -3.568 1.00 0.00 H new ATOM 843 N GLU A 56 1.245 -0.635 -7.789 1.00 0.00 N ATOM 844 CA GLU A 56 1.896 -1.004 -9.031 1.00 0.00 C ATOM 845 C GLU A 56 2.143 0.234 -9.894 1.00 0.00 C ATOM 846 O GLU A 56 3.138 0.276 -10.627 1.00 0.00 O ATOM 847 CB GLU A 56 1.053 -2.006 -9.812 1.00 0.00 C ATOM 848 CG GLU A 56 1.011 -3.406 -9.194 1.00 0.00 C ATOM 849 CD GLU A 56 0.453 -4.444 -10.174 1.00 0.00 C ATOM 850 OE1 GLU A 56 0.448 -4.213 -11.409 1.00 0.00 O ATOM 851 OE2 GLU A 56 0.081 -5.550 -9.730 1.00 0.00 O ATOM 0 H GLU A 56 0.272 -0.934 -7.720 1.00 0.00 H new ATOM 0 HA GLU A 56 2.851 -1.466 -8.781 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.035 -1.625 -9.890 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.444 -2.080 -10.827 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.015 -3.698 -8.888 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.396 -3.388 -8.294 1.00 0.00 H new ATOM 858 N GLU A 57 1.285 1.261 -9.824 1.00 0.00 N ATOM 859 CA GLU A 57 1.482 2.470 -10.621 1.00 0.00 C ATOM 860 C GLU A 57 2.775 3.189 -10.201 1.00 0.00 C ATOM 861 O GLU A 57 3.347 3.917 -11.010 1.00 0.00 O ATOM 862 CB GLU A 57 0.228 3.359 -10.669 1.00 0.00 C ATOM 863 CG GLU A 57 -0.116 4.111 -9.385 1.00 0.00 C ATOM 864 CD GLU A 57 -1.305 5.061 -9.575 1.00 0.00 C ATOM 865 OE1 GLU A 57 -1.072 6.183 -10.100 1.00 0.00 O ATOM 866 OE2 GLU A 57 -2.446 4.730 -9.176 1.00 0.00 O ATOM 0 H GLU A 57 0.457 1.276 -9.229 1.00 0.00 H new ATOM 0 HA GLU A 57 1.627 2.181 -11.662 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.356 4.088 -11.469 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.624 2.735 -10.939 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.347 3.395 -8.596 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.753 4.680 -9.054 1.00 0.00 H new ATOM 873 N GLU A 58 3.257 2.954 -8.972 1.00 0.00 N ATOM 874 CA GLU A 58 4.493 3.522 -8.433 1.00 0.00 C ATOM 875 C GLU A 58 5.696 2.636 -8.811 1.00 0.00 C ATOM 876 O GLU A 58 6.839 3.054 -8.623 1.00 0.00 O ATOM 877 CB GLU A 58 4.408 3.632 -6.899 1.00 0.00 C ATOM 878 CG GLU A 58 3.637 4.848 -6.378 1.00 0.00 C ATOM 879 CD GLU A 58 4.477 6.133 -6.476 1.00 0.00 C ATOM 880 OE1 GLU A 58 4.564 6.759 -7.558 1.00 0.00 O ATOM 881 OE2 GLU A 58 5.112 6.526 -5.466 1.00 0.00 O ATOM 0 H GLU A 58 2.780 2.344 -8.308 1.00 0.00 H new ATOM 0 HA GLU A 58 4.626 4.516 -8.859 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.937 2.729 -6.511 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.420 3.663 -6.496 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.717 4.969 -6.950 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.348 4.680 -5.341 1.00 0.00 H new ATOM 888 N GLY A 59 5.462 1.415 -9.309 1.00 0.00 N ATOM 889 CA GLY A 59 6.488 0.467 -9.729 1.00 0.00 C ATOM 890 C GLY A 59 6.733 -0.710 -8.795 1.00 0.00 C ATOM 891 O GLY A 59 7.556 -1.563 -9.132 1.00 0.00 O ATOM 0 H GLY A 59 4.517 1.052 -9.433 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.214 0.076 -10.709 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.426 1.008 -9.852 1.00 0.00 H new ATOM 895 N TYR A 60 6.086 -0.789 -7.632 1.00 0.00 N ATOM 896 CA TYR A 60 6.311 -1.914 -6.723 1.00 0.00 C ATOM 897 C TYR A 60 5.472 -3.116 -7.173 1.00 0.00 C ATOM 898 O TYR A 60 4.571 -2.983 -8.006 1.00 0.00 O ATOM 899 CB TYR A 60 5.972 -1.508 -5.283 1.00 0.00 C ATOM 900 CG TYR A 60 6.659 -0.246 -4.798 1.00 0.00 C ATOM 901 CD1 TYR A 60 8.014 -0.273 -4.416 1.00 0.00 C ATOM 902 CD2 TYR A 60 5.948 0.970 -4.775 1.00 0.00 C ATOM 903 CE1 TYR A 60 8.668 0.916 -4.047 1.00 0.00 C ATOM 904 CE2 TYR A 60 6.598 2.162 -4.410 1.00 0.00 C ATOM 905 CZ TYR A 60 7.970 2.145 -4.081 1.00 0.00 C ATOM 906 OH TYR A 60 8.619 3.315 -3.834 1.00 0.00 O ATOM 0 H TYR A 60 5.412 -0.099 -7.300 1.00 0.00 H new ATOM 0 HA TYR A 60 7.363 -2.199 -6.751 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.894 -1.371 -5.204 1.00 0.00 H new ATOM 0 HB3 TYR A 60 6.239 -2.329 -4.617 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.552 -1.209 -4.406 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.901 0.987 -5.038 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.703 0.890 -3.738 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.047 3.091 -4.381 1.00 0.00 H new ATOM 0 HH TYR A 60 9.480 3.127 -3.406 1.00 0.00 H new ATOM 916 N LYS A 61 5.776 -4.304 -6.652 1.00 0.00 N ATOM 917 CA LYS A 61 5.058 -5.543 -6.950 1.00 0.00 C ATOM 918 C LYS A 61 4.077 -5.700 -5.799 1.00 0.00 C ATOM 919 O LYS A 61 4.529 -5.872 -4.665 1.00 0.00 O ATOM 920 CB LYS A 61 6.058 -6.709 -7.033 1.00 0.00 C ATOM 921 CG LYS A 61 6.407 -7.079 -8.483 1.00 0.00 C ATOM 922 CD LYS A 61 5.544 -8.216 -9.050 1.00 0.00 C ATOM 923 CE LYS A 61 5.766 -9.555 -8.333 1.00 0.00 C ATOM 924 NZ LYS A 61 7.165 -10.018 -8.429 1.00 0.00 N ATOM 0 H LYS A 61 6.546 -4.435 -5.996 1.00 0.00 H new ATOM 0 HA LYS A 61 4.535 -5.528 -7.906 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.970 -6.441 -6.500 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.639 -7.580 -6.529 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.291 -6.197 -9.113 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.456 -7.370 -8.533 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.493 -7.939 -8.973 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.765 -8.337 -10.110 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.491 -9.452 -7.283 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.106 -10.308 -8.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.235 -10.990 -8.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.470 -9.997 -9.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.777 -9.394 -7.865 1.00 0.00 H new ATOM 938 N ALA A 62 2.767 -5.619 -6.028 1.00 0.00 N ATOM 939 CA ALA A 62 1.791 -5.728 -4.951 1.00 0.00 C ATOM 940 C ALA A 62 0.766 -6.848 -5.136 1.00 0.00 C ATOM 941 O ALA A 62 0.467 -7.273 -6.253 1.00 0.00 O ATOM 942 CB ALA A 62 1.131 -4.364 -4.801 1.00 0.00 C ATOM 0 H ALA A 62 2.359 -5.478 -6.952 1.00 0.00 H new ATOM 0 HA ALA A 62 2.312 -6.014 -4.037 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.391 -4.404 -4.002 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.888 -3.618 -4.558 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.641 -4.092 -5.736 1.00 0.00 H new ATOM 948 N GLU A 63 0.184 -7.298 -4.019 1.00 0.00 N ATOM 949 CA GLU A 63 -0.813 -8.358 -3.992 1.00 0.00 C ATOM 950 C GLU A 63 -1.656 -8.222 -2.719 1.00 0.00 C ATOM 951 O GLU A 63 -1.122 -7.894 -1.658 1.00 0.00 O ATOM 952 CB GLU A 63 -0.063 -9.695 -4.036 1.00 0.00 C ATOM 953 CG GLU A 63 -1.001 -10.883 -3.819 1.00 0.00 C ATOM 954 CD GLU A 63 -0.407 -12.206 -4.298 1.00 0.00 C ATOM 955 OE1 GLU A 63 0.836 -12.351 -4.343 1.00 0.00 O ATOM 956 OE2 GLU A 63 -1.204 -13.142 -4.547 1.00 0.00 O ATOM 0 H GLU A 63 0.401 -6.925 -3.095 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.491 -8.298 -4.843 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.437 -9.799 -4.999 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.713 -9.701 -3.271 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.240 -10.961 -2.758 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.938 -10.700 -4.345 1.00 0.00 H new ATOM 963 N VAL A 64 -2.971 -8.428 -2.807 1.00 0.00 N ATOM 964 CA VAL A 64 -3.869 -8.329 -1.659 1.00 0.00 C ATOM 965 C VAL A 64 -3.751 -9.618 -0.839 1.00 0.00 C ATOM 966 O VAL A 64 -3.640 -10.711 -1.401 1.00 0.00 O ATOM 967 CB VAL A 64 -5.315 -8.043 -2.136 1.00 0.00 C ATOM 968 CG1 VAL A 64 -6.236 -7.682 -0.960 1.00 0.00 C ATOM 969 CG2 VAL A 64 -5.376 -6.874 -3.139 1.00 0.00 C ATOM 0 H VAL A 64 -3.443 -8.669 -3.679 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.591 -7.494 -1.015 1.00 0.00 H new ATOM 0 HB VAL A 64 -5.650 -8.962 -2.616 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.242 -7.488 -1.332 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -6.264 -8.511 -0.252 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -5.856 -6.791 -0.460 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -6.409 -6.711 -3.445 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.990 -5.970 -2.668 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -4.772 -7.114 -4.014 1.00 0.00 H new ATOM 979 N LEU A 65 -3.766 -9.505 0.494 1.00 0.00 N ATOM 980 CA LEU A 65 -3.677 -10.646 1.414 1.00 0.00 C ATOM 981 C LEU A 65 -5.053 -10.877 2.045 1.00 0.00 C ATOM 982 O LEU A 65 -5.202 -10.913 3.271 1.00 0.00 O ATOM 983 CB LEU A 65 -2.574 -10.461 2.471 1.00 0.00 C ATOM 984 CG LEU A 65 -1.138 -10.315 1.948 1.00 0.00 C ATOM 985 CD1 LEU A 65 -0.207 -10.200 3.164 1.00 0.00 C ATOM 986 CD2 LEU A 65 -0.702 -11.496 1.069 1.00 0.00 C ATOM 0 H LEU A 65 -3.841 -8.607 0.971 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.389 -11.534 0.852 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.813 -9.577 3.062 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.605 -11.314 3.148 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.087 -9.427 1.318 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.823 -10.095 2.825 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.486 -9.327 3.754 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.297 -11.097 3.777 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.321 -11.338 0.728 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.753 -12.418 1.647 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.364 -11.571 0.206 1.00 0.00 H new ATOM 998 N ALA A 66 -6.071 -10.959 1.191 1.00 0.00 N ATOM 999 CA ALA A 66 -7.471 -11.188 1.512 1.00 0.00 C ATOM 1000 C ALA A 66 -8.039 -12.200 0.520 1.00 0.00 C ATOM 1001 O ALA A 66 -7.260 -12.756 -0.294 1.00 0.00 O ATOM 1002 CB ALA A 66 -8.233 -9.855 1.488 1.00 0.00 C ATOM 0 H ALA A 66 -5.925 -10.860 0.186 1.00 0.00 H new ATOM 0 HA ALA A 66 -7.578 -11.599 2.516 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.281 -10.031 1.729 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.801 -9.176 2.223 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.158 -9.411 0.495 1.00 0.00 H new TER 1008 ALA A 66