USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 584 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 Single : A 1 MET CE :methyl -157:sc= -0.258 (180deg=-1.01) USER MOD Single : A 1 MET N :NH3+ -111:sc= 0.1 (180deg=0) USER MOD Single : A 3 MET CE :methyl -159:sc= -0.107 (180deg=-0.741) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 1.3 (180deg=1.3) USER MOD Single : A 14 LYS NZ :NH3+ -153:sc= 1.27 (180deg=1.2) USER MOD Single : A 20 LYS NZ :NH3+ 160:sc= -1.03 (180deg=-1.78!) USER MOD Single : A 23 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 26 ASN : amide:sc= 0.37 K(o=0.37,f=-0.19) USER MOD Single : A 28 TYR OH : rot 100:sc= 0.618 USER MOD Single : A 30 HIS : no HD1:sc= -2.2! C(o=-2.2!,f=-3.7!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.0438 K(o=-0.044,f=-8.3!) USER MOD Single : A 41 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0463) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 27:sc= 0.235 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.0114 K(o=-0.011,f=-2.9!) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 164:sc= -2.04! USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= 1.03 K(o=1,f=-5.4!) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=-0.009) USER MOD Single : A 72 HIS : no HE2:sc= 1.18 K(o=1.2,f=-3.7!) USER MOD Single : A 73 HIS : no HD1:sc= -0.304 X(o=-0.3,f=-0.0096) USER MOD Single : A 74 HIS : no HD1:sc= -0.0441 X(o=-0.044,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.622 -0.075 1.637 1.00 0.00 N ATOM 2 CA MET A 1 -15.796 -1.148 0.635 1.00 0.00 C ATOM 3 C MET A 1 -14.432 -1.668 0.201 1.00 0.00 C ATOM 4 O MET A 1 -13.432 -0.963 0.342 1.00 0.00 O ATOM 5 CB MET A 1 -16.580 -0.618 -0.572 1.00 0.00 C ATOM 6 CG MET A 1 -16.962 -1.688 -1.583 1.00 0.00 C ATOM 7 SD MET A 1 -17.997 -1.049 -2.917 1.00 0.00 S ATOM 8 CE MET A 1 -19.401 -0.437 -1.990 1.00 0.00 C ATOM 0 H1 MET A 1 -15.954 -0.409 2.564 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.616 0.181 1.701 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.174 0.759 1.352 1.00 0.00 H new ATOM 0 HA MET A 1 -16.360 -1.968 1.078 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.487 -0.129 -0.216 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.983 0.144 -1.073 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.056 -2.121 -2.007 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.491 -2.493 -1.072 1.00 0.00 H new ATOM 0 HE1 MET A 1 -20.275 -0.392 -2.640 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.605 -1.106 -1.154 1.00 0.00 H new ATOM 0 HE3 MET A 1 -19.180 0.560 -1.610 1.00 0.00 H new ATOM 20 N ALA A 2 -14.401 -2.907 -0.296 1.00 0.00 N ATOM 21 CA ALA A 2 -13.162 -3.567 -0.710 1.00 0.00 C ATOM 22 C ALA A 2 -12.301 -3.898 0.504 1.00 0.00 C ATOM 23 O ALA A 2 -12.699 -3.653 1.646 1.00 0.00 O ATOM 24 CB ALA A 2 -12.389 -2.725 -1.723 1.00 0.00 C ATOM 0 H ALA A 2 -15.235 -3.480 -0.422 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.429 -4.501 -1.205 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.475 -3.246 -2.008 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -13.005 -2.564 -2.608 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -12.134 -1.763 -1.278 1.00 0.00 H new ATOM 30 N MET A 3 -11.131 -4.467 0.269 1.00 0.00 N ATOM 31 CA MET A 3 -10.266 -4.878 1.364 1.00 0.00 C ATOM 32 C MET A 3 -9.189 -3.842 1.619 1.00 0.00 C ATOM 33 O MET A 3 -8.701 -3.192 0.695 1.00 0.00 O ATOM 34 CB MET A 3 -9.618 -6.231 1.075 1.00 0.00 C ATOM 35 CG MET A 3 -10.623 -7.330 0.779 1.00 0.00 C ATOM 36 SD MET A 3 -9.868 -8.965 0.658 1.00 0.00 S ATOM 37 CE MET A 3 -8.719 -8.727 -0.696 1.00 0.00 C ATOM 0 H MET A 3 -10.759 -4.654 -0.662 1.00 0.00 H new ATOM 0 HA MET A 3 -10.888 -4.970 2.255 1.00 0.00 H new ATOM 0 HB2 MET A 3 -8.943 -6.128 0.226 1.00 0.00 H new ATOM 0 HB3 MET A 3 -9.011 -6.525 1.931 1.00 0.00 H new ATOM 0 HG2 MET A 3 -11.380 -7.343 1.563 1.00 0.00 H new ATOM 0 HG3 MET A 3 -11.136 -7.103 -0.156 1.00 0.00 H new ATOM 0 HE1 MET A 3 -8.462 -9.694 -1.129 1.00 0.00 H new ATOM 0 HE2 MET A 3 -9.180 -8.099 -1.458 1.00 0.00 H new ATOM 0 HE3 MET A 3 -7.815 -8.243 -0.326 1.00 0.00 H new ATOM 47 N ASN A 4 -8.829 -3.697 2.876 1.00 0.00 N ATOM 48 CA ASN A 4 -7.798 -2.760 3.267 1.00 0.00 C ATOM 49 C ASN A 4 -6.549 -3.528 3.674 1.00 0.00 C ATOM 50 O ASN A 4 -6.616 -4.725 3.958 1.00 0.00 O ATOM 51 CB ASN A 4 -8.278 -1.862 4.415 1.00 0.00 C ATOM 52 CG ASN A 4 -8.470 -2.610 5.721 1.00 0.00 C ATOM 53 OD1 ASN A 4 -7.543 -2.735 6.523 1.00 0.00 O ATOM 54 ND2 ASN A 4 -9.679 -3.097 5.954 1.00 0.00 N ATOM 0 H ASN A 4 -9.239 -4.220 3.650 1.00 0.00 H new ATOM 0 HA ASN A 4 -7.565 -2.115 2.419 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.556 -1.060 4.566 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -9.220 -1.393 4.131 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -9.869 -3.596 6.823 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -10.420 -2.973 5.265 1.00 0.00 H new ATOM 61 N GLY A 5 -5.418 -2.854 3.702 1.00 0.00 N ATOM 62 CA GLY A 5 -4.179 -3.531 4.002 1.00 0.00 C ATOM 63 C GLY A 5 -3.359 -2.814 5.045 1.00 0.00 C ATOM 64 O GLY A 5 -3.549 -1.622 5.282 1.00 0.00 O ATOM 0 H GLY A 5 -5.333 -1.853 3.523 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.397 -4.541 4.349 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -3.592 -3.627 3.088 1.00 0.00 H new ATOM 68 N THR A 6 -2.448 -3.541 5.672 1.00 0.00 N ATOM 69 CA THR A 6 -1.548 -2.957 6.644 1.00 0.00 C ATOM 70 C THR A 6 -0.142 -2.888 6.063 1.00 0.00 C ATOM 71 O THR A 6 0.352 -3.858 5.480 1.00 0.00 O ATOM 72 CB THR A 6 -1.521 -3.768 7.948 1.00 0.00 C ATOM 73 OG1 THR A 6 -2.860 -4.134 8.324 1.00 0.00 O ATOM 74 CG2 THR A 6 -0.883 -2.962 9.072 1.00 0.00 C ATOM 0 H THR A 6 -2.315 -4.541 5.522 1.00 0.00 H new ATOM 0 HA THR A 6 -1.909 -1.955 6.875 1.00 0.00 H new ATOM 0 HB THR A 6 -0.928 -4.667 7.780 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.836 -4.652 9.155 1.00 0.00 H new ATOM 0 HG21 THR A 6 -0.874 -3.556 9.986 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.140 -2.702 8.798 1.00 0.00 H new ATOM 0 HG23 THR A 6 -1.457 -2.050 9.237 1.00 0.00 H new ATOM 82 N ILE A 7 0.489 -1.742 6.226 1.00 0.00 N ATOM 83 CA ILE A 7 1.776 -1.473 5.604 1.00 0.00 C ATOM 84 C ILE A 7 2.901 -2.163 6.363 1.00 0.00 C ATOM 85 O ILE A 7 3.035 -2.001 7.581 1.00 0.00 O ATOM 86 CB ILE A 7 2.050 0.043 5.543 1.00 0.00 C ATOM 87 CG1 ILE A 7 0.858 0.766 4.913 1.00 0.00 C ATOM 88 CG2 ILE A 7 3.323 0.321 4.751 1.00 0.00 C ATOM 89 CD1 ILE A 7 0.947 2.272 4.989 1.00 0.00 C ATOM 0 H ILE A 7 0.128 -0.972 6.790 1.00 0.00 H new ATOM 0 HA ILE A 7 1.740 -1.868 4.589 1.00 0.00 H new ATOM 0 HB ILE A 7 2.189 0.417 6.558 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.776 0.469 3.867 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.056 0.440 5.409 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.503 1.396 4.717 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.167 -0.173 5.233 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.211 -0.060 3.736 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.066 2.713 4.522 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.997 2.581 6.033 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.842 2.610 4.467 1.00 0.00 H new ATOM 101 N THR A 8 3.702 -2.941 5.645 1.00 0.00 N ATOM 102 CA THR A 8 4.800 -3.659 6.255 1.00 0.00 C ATOM 103 C THR A 8 6.137 -3.149 5.731 1.00 0.00 C ATOM 104 O THR A 8 7.021 -2.770 6.504 1.00 0.00 O ATOM 105 CB THR A 8 4.674 -5.171 5.995 1.00 0.00 C ATOM 106 OG1 THR A 8 4.229 -5.401 4.650 1.00 0.00 O ATOM 107 CG2 THR A 8 3.704 -5.809 6.977 1.00 0.00 C ATOM 0 H THR A 8 3.607 -3.087 4.640 1.00 0.00 H new ATOM 0 HA THR A 8 4.758 -3.485 7.330 1.00 0.00 H new ATOM 0 HB THR A 8 5.654 -5.627 6.134 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.153 -6.365 4.491 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.631 -6.877 6.774 1.00 0.00 H new ATOM 0 HG22 THR A 8 4.064 -5.657 7.995 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.721 -5.351 6.867 1.00 0.00 H new ATOM 115 N THR A 9 6.273 -3.127 4.416 1.00 0.00 N ATOM 116 CA THR A 9 7.503 -2.686 3.788 1.00 0.00 C ATOM 117 C THR A 9 7.260 -1.461 2.917 1.00 0.00 C ATOM 118 O THR A 9 6.407 -1.479 2.034 1.00 0.00 O ATOM 119 CB THR A 9 8.113 -3.812 2.928 1.00 0.00 C ATOM 120 OG1 THR A 9 8.285 -4.996 3.723 1.00 0.00 O ATOM 121 CG2 THR A 9 9.452 -3.390 2.339 1.00 0.00 C ATOM 0 H THR A 9 5.543 -3.411 3.762 1.00 0.00 H new ATOM 0 HA THR A 9 8.202 -2.424 4.582 1.00 0.00 H new ATOM 0 HB THR A 9 7.428 -4.020 2.106 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.671 -5.708 3.171 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.858 -4.204 1.738 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.312 -2.510 1.711 1.00 0.00 H new ATOM 0 HG23 THR A 9 10.146 -3.154 3.146 1.00 0.00 H new ATOM 129 N TRP A 10 7.997 -0.397 3.178 1.00 0.00 N ATOM 130 CA TRP A 10 7.936 0.800 2.350 1.00 0.00 C ATOM 131 C TRP A 10 9.336 1.348 2.138 1.00 0.00 C ATOM 132 O TRP A 10 10.068 1.594 3.099 1.00 0.00 O ATOM 133 CB TRP A 10 7.041 1.866 2.990 1.00 0.00 C ATOM 134 CG TRP A 10 6.998 3.160 2.221 1.00 0.00 C ATOM 135 CD1 TRP A 10 7.581 4.343 2.578 1.00 0.00 C ATOM 136 CD2 TRP A 10 6.349 3.400 0.963 1.00 0.00 C ATOM 137 NE1 TRP A 10 7.325 5.303 1.629 1.00 0.00 N ATOM 138 CE2 TRP A 10 6.574 4.749 0.629 1.00 0.00 C ATOM 139 CE3 TRP A 10 5.595 2.611 0.091 1.00 0.00 C ATOM 140 CZ2 TRP A 10 6.077 5.322 -0.539 1.00 0.00 C ATOM 141 CZ3 TRP A 10 5.103 3.183 -1.071 1.00 0.00 C ATOM 142 CH2 TRP A 10 5.347 4.526 -1.374 1.00 0.00 C ATOM 0 H TRP A 10 8.649 -0.335 3.960 1.00 0.00 H new ATOM 0 HA TRP A 10 7.504 0.532 1.386 1.00 0.00 H new ATOM 0 HB2 TRP A 10 6.028 1.472 3.079 1.00 0.00 H new ATOM 0 HB3 TRP A 10 7.395 2.066 4.001 1.00 0.00 H new ATOM 0 HD1 TRP A 10 8.159 4.501 3.476 1.00 0.00 H new ATOM 0 HE1 TRP A 10 7.643 6.271 1.664 1.00 0.00 H new ATOM 0 HE3 TRP A 10 5.399 1.574 0.319 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 6.263 6.359 -0.776 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 4.521 2.582 -1.754 1.00 0.00 H new ATOM 0 HH2 TRP A 10 4.950 4.942 -2.288 1.00 0.00 H new ATOM 153 N PHE A 11 9.705 1.521 0.883 1.00 0.00 N ATOM 154 CA PHE A 11 11.008 2.057 0.544 1.00 0.00 C ATOM 155 C PHE A 11 10.894 3.545 0.250 1.00 0.00 C ATOM 156 O PHE A 11 10.511 3.943 -0.852 1.00 0.00 O ATOM 157 CB PHE A 11 11.597 1.324 -0.661 1.00 0.00 C ATOM 158 CG PHE A 11 11.773 -0.152 -0.448 1.00 0.00 C ATOM 159 CD1 PHE A 11 12.830 -0.635 0.305 1.00 0.00 C ATOM 160 CD2 PHE A 11 10.883 -1.055 -1.003 1.00 0.00 C ATOM 161 CE1 PHE A 11 12.995 -1.991 0.501 1.00 0.00 C ATOM 162 CE2 PHE A 11 11.042 -2.414 -0.811 1.00 0.00 C ATOM 163 CZ PHE A 11 12.101 -2.881 -0.058 1.00 0.00 C ATOM 0 H PHE A 11 9.118 1.297 0.079 1.00 0.00 H new ATOM 0 HA PHE A 11 11.676 1.911 1.393 1.00 0.00 H new ATOM 0 HB2 PHE A 11 10.949 1.482 -1.523 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.564 1.764 -0.905 1.00 0.00 H new ATOM 0 HD1 PHE A 11 13.533 0.057 0.744 1.00 0.00 H new ATOM 0 HD2 PHE A 11 10.054 -0.693 -1.593 1.00 0.00 H new ATOM 0 HE1 PHE A 11 13.823 -2.355 1.091 1.00 0.00 H new ATOM 0 HE2 PHE A 11 10.340 -3.109 -1.248 1.00 0.00 H new ATOM 0 HZ PHE A 11 12.230 -3.943 0.093 1.00 0.00 H new ATOM 173 N LYS A 12 11.214 4.356 1.247 1.00 0.00 N ATOM 174 CA LYS A 12 11.106 5.804 1.140 1.00 0.00 C ATOM 175 C LYS A 12 12.035 6.331 0.054 1.00 0.00 C ATOM 176 O LYS A 12 11.697 7.266 -0.671 1.00 0.00 O ATOM 177 CB LYS A 12 11.450 6.445 2.487 1.00 0.00 C ATOM 178 CG LYS A 12 11.101 7.921 2.584 1.00 0.00 C ATOM 179 CD LYS A 12 9.603 8.136 2.480 1.00 0.00 C ATOM 180 CE LYS A 12 9.218 9.574 2.794 1.00 0.00 C ATOM 181 NZ LYS A 12 7.744 9.760 2.803 1.00 0.00 N ATOM 0 H LYS A 12 11.555 4.030 2.151 1.00 0.00 H new ATOM 0 HA LYS A 12 10.082 6.063 0.869 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.926 5.907 3.277 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.517 6.323 2.672 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.464 8.322 3.530 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.606 8.470 1.790 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.268 7.881 1.475 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.090 7.463 3.168 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.626 9.856 3.765 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.664 10.240 2.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.521 10.752 3.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.357 9.515 1.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.321 9.143 3.526 1.00 0.00 H new ATOM 195 N ASP A 13 13.198 5.712 -0.055 1.00 0.00 N ATOM 196 CA ASP A 13 14.192 6.106 -1.049 1.00 0.00 C ATOM 197 C ASP A 13 13.744 5.721 -2.458 1.00 0.00 C ATOM 198 O ASP A 13 14.202 6.292 -3.448 1.00 0.00 O ATOM 199 CB ASP A 13 15.541 5.446 -0.744 1.00 0.00 C ATOM 200 CG ASP A 13 16.647 5.917 -1.671 1.00 0.00 C ATOM 201 OD1 ASP A 13 17.235 6.985 -1.400 1.00 0.00 O ATOM 202 OD2 ASP A 13 16.948 5.217 -2.665 1.00 0.00 O ATOM 0 H ASP A 13 13.482 4.930 0.535 1.00 0.00 H new ATOM 0 HA ASP A 13 14.299 7.190 -1.001 1.00 0.00 H new ATOM 0 HB2 ASP A 13 15.821 5.661 0.287 1.00 0.00 H new ATOM 0 HB3 ASP A 13 15.439 4.364 -0.828 1.00 0.00 H new ATOM 207 N LYS A 14 12.832 4.764 -2.545 1.00 0.00 N ATOM 208 CA LYS A 14 12.440 4.215 -3.834 1.00 0.00 C ATOM 209 C LYS A 14 11.098 4.769 -4.304 1.00 0.00 C ATOM 210 O LYS A 14 10.969 5.202 -5.447 1.00 0.00 O ATOM 211 CB LYS A 14 12.389 2.688 -3.767 1.00 0.00 C ATOM 212 CG LYS A 14 13.691 2.059 -3.293 1.00 0.00 C ATOM 213 CD LYS A 14 14.881 2.640 -4.034 1.00 0.00 C ATOM 214 CE LYS A 14 16.201 2.115 -3.500 1.00 0.00 C ATOM 215 NZ LYS A 14 17.345 2.895 -4.036 1.00 0.00 N ATOM 0 H LYS A 14 12.352 4.354 -1.744 1.00 0.00 H new ATOM 0 HA LYS A 14 13.193 4.517 -4.562 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.584 2.388 -3.096 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.144 2.297 -4.754 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.810 2.225 -2.222 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.654 0.981 -3.447 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.799 2.400 -5.094 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.864 3.727 -3.950 1.00 0.00 H new ATOM 0 HE2 LYS A 14 16.202 2.165 -2.411 1.00 0.00 H new ATOM 0 HE3 LYS A 14 16.314 1.065 -3.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 18.195 2.296 -4.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 17.125 3.215 -5.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 17.517 3.721 -3.428 1.00 0.00 H new ATOM 229 N GLY A 15 10.106 4.764 -3.426 1.00 0.00 N ATOM 230 CA GLY A 15 8.791 5.241 -3.809 1.00 0.00 C ATOM 231 C GLY A 15 7.813 4.109 -4.060 1.00 0.00 C ATOM 232 O GLY A 15 6.754 4.311 -4.664 1.00 0.00 O ATOM 0 H GLY A 15 10.185 4.441 -2.462 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.400 5.888 -3.024 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.877 5.849 -4.709 1.00 0.00 H new ATOM 236 N PHE A 16 8.169 2.917 -3.608 1.00 0.00 N ATOM 237 CA PHE A 16 7.273 1.773 -3.686 1.00 0.00 C ATOM 238 C PHE A 16 7.407 0.929 -2.430 1.00 0.00 C ATOM 239 O PHE A 16 8.278 1.185 -1.595 1.00 0.00 O ATOM 240 CB PHE A 16 7.540 0.922 -4.939 1.00 0.00 C ATOM 241 CG PHE A 16 8.898 0.278 -5.001 1.00 0.00 C ATOM 242 CD1 PHE A 16 9.120 -0.960 -4.417 1.00 0.00 C ATOM 243 CD2 PHE A 16 9.946 0.901 -5.658 1.00 0.00 C ATOM 244 CE1 PHE A 16 10.360 -1.561 -4.486 1.00 0.00 C ATOM 245 CE2 PHE A 16 11.188 0.300 -5.733 1.00 0.00 C ATOM 246 CZ PHE A 16 11.396 -0.930 -5.145 1.00 0.00 C ATOM 0 H PHE A 16 9.074 2.716 -3.182 1.00 0.00 H new ATOM 0 HA PHE A 16 6.253 2.148 -3.762 1.00 0.00 H new ATOM 0 HB2 PHE A 16 6.782 0.140 -4.995 1.00 0.00 H new ATOM 0 HB3 PHE A 16 7.414 1.552 -5.820 1.00 0.00 H new ATOM 0 HD1 PHE A 16 8.313 -1.460 -3.902 1.00 0.00 H new ATOM 0 HD2 PHE A 16 9.791 1.866 -6.116 1.00 0.00 H new ATOM 0 HE1 PHE A 16 10.520 -2.524 -4.025 1.00 0.00 H new ATOM 0 HE2 PHE A 16 11.996 0.794 -6.252 1.00 0.00 H new ATOM 0 HZ PHE A 16 12.367 -1.399 -5.200 1.00 0.00 H new ATOM 256 N GLY A 17 6.551 -0.067 -2.296 1.00 0.00 N ATOM 257 CA GLY A 17 6.576 -0.899 -1.114 1.00 0.00 C ATOM 258 C GLY A 17 5.645 -2.081 -1.221 1.00 0.00 C ATOM 259 O GLY A 17 5.136 -2.385 -2.303 1.00 0.00 O ATOM 0 H GLY A 17 5.839 -0.315 -2.983 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.592 -1.255 -0.945 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.300 -0.300 -0.246 1.00 0.00 H new ATOM 263 N PHE A 18 5.407 -2.737 -0.092 1.00 0.00 N ATOM 264 CA PHE A 18 4.591 -3.933 -0.045 1.00 0.00 C ATOM 265 C PHE A 18 3.662 -3.862 1.154 1.00 0.00 C ATOM 266 O PHE A 18 4.092 -3.575 2.276 1.00 0.00 O ATOM 267 CB PHE A 18 5.464 -5.186 0.042 1.00 0.00 C ATOM 268 CG PHE A 18 6.445 -5.319 -1.092 1.00 0.00 C ATOM 269 CD1 PHE A 18 6.045 -5.832 -2.316 1.00 0.00 C ATOM 270 CD2 PHE A 18 7.764 -4.923 -0.935 1.00 0.00 C ATOM 271 CE1 PHE A 18 6.942 -5.950 -3.360 1.00 0.00 C ATOM 272 CE2 PHE A 18 8.664 -5.038 -1.975 1.00 0.00 C ATOM 273 CZ PHE A 18 8.254 -5.553 -3.189 1.00 0.00 C ATOM 0 H PHE A 18 5.777 -2.451 0.815 1.00 0.00 H new ATOM 0 HA PHE A 18 4.003 -3.993 -0.961 1.00 0.00 H new ATOM 0 HB2 PHE A 18 6.011 -5.172 0.985 1.00 0.00 H new ATOM 0 HB3 PHE A 18 4.821 -6.066 0.060 1.00 0.00 H new ATOM 0 HD1 PHE A 18 5.020 -6.143 -2.455 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.091 -4.520 0.012 1.00 0.00 H new ATOM 0 HE1 PHE A 18 6.618 -6.352 -4.309 1.00 0.00 H new ATOM 0 HE2 PHE A 18 9.689 -4.725 -1.839 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.958 -5.645 -4.003 1.00 0.00 H new ATOM 283 N ILE A 19 2.392 -4.101 0.908 1.00 0.00 N ATOM 284 CA ILE A 19 1.383 -4.013 1.944 1.00 0.00 C ATOM 285 C ILE A 19 0.566 -5.301 1.992 1.00 0.00 C ATOM 286 O ILE A 19 0.233 -5.873 0.951 1.00 0.00 O ATOM 287 CB ILE A 19 0.464 -2.792 1.700 1.00 0.00 C ATOM 288 CG1 ILE A 19 1.277 -1.498 1.815 1.00 0.00 C ATOM 289 CG2 ILE A 19 -0.707 -2.778 2.669 1.00 0.00 C ATOM 290 CD1 ILE A 19 0.499 -0.244 1.479 1.00 0.00 C ATOM 0 H ILE A 19 2.030 -4.360 -0.010 1.00 0.00 H new ATOM 0 HA ILE A 19 1.878 -3.881 2.906 1.00 0.00 H new ATOM 0 HB ILE A 19 0.054 -2.867 0.693 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.661 -1.412 2.832 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.140 -1.565 1.153 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.333 -1.908 2.471 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.296 -3.686 2.541 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.333 -2.730 3.692 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.147 0.626 1.585 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.138 -0.304 0.452 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.349 -0.149 2.157 1.00 0.00 H new ATOM 302 N LYS A 20 0.272 -5.764 3.200 1.00 0.00 N ATOM 303 CA LYS A 20 -0.472 -6.999 3.388 1.00 0.00 C ATOM 304 C LYS A 20 -1.958 -6.712 3.486 1.00 0.00 C ATOM 305 O LYS A 20 -2.397 -5.992 4.384 1.00 0.00 O ATOM 306 CB LYS A 20 -0.004 -7.713 4.658 1.00 0.00 C ATOM 307 CG LYS A 20 1.477 -8.054 4.662 1.00 0.00 C ATOM 308 CD LYS A 20 1.838 -9.044 3.564 1.00 0.00 C ATOM 309 CE LYS A 20 1.672 -10.494 4.006 1.00 0.00 C ATOM 310 NZ LYS A 20 0.276 -10.832 4.400 1.00 0.00 N ATOM 0 H LYS A 20 0.540 -5.299 4.067 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.289 -7.642 2.527 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.224 -7.083 5.520 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.579 -8.631 4.780 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.059 -7.142 4.533 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.750 -8.472 5.631 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.210 -8.859 2.692 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.870 -8.878 3.255 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.983 -11.152 3.195 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.337 -10.689 4.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.144 -11.863 4.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.097 -10.496 5.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.390 -10.373 3.746 1.00 0.00 H new ATOM 324 N ASP A 21 -2.730 -7.268 2.564 1.00 0.00 N ATOM 325 CA ASP A 21 -4.177 -7.087 2.583 1.00 0.00 C ATOM 326 C ASP A 21 -4.830 -8.130 3.478 1.00 0.00 C ATOM 327 O ASP A 21 -4.151 -8.910 4.150 1.00 0.00 O ATOM 328 CB ASP A 21 -4.782 -7.159 1.176 1.00 0.00 C ATOM 329 CG ASP A 21 -4.710 -8.540 0.553 1.00 0.00 C ATOM 330 OD1 ASP A 21 -3.660 -8.886 -0.022 1.00 0.00 O ATOM 331 OD2 ASP A 21 -5.715 -9.277 0.620 1.00 0.00 O ATOM 0 H ASP A 21 -2.383 -7.845 1.797 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.373 -6.091 2.981 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.825 -6.844 1.222 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.263 -6.451 0.530 1.00 0.00 H new ATOM 336 N GLU A 22 -6.149 -8.150 3.465 1.00 0.00 N ATOM 337 CA GLU A 22 -6.913 -8.978 4.378 1.00 0.00 C ATOM 338 C GLU A 22 -6.975 -10.441 3.939 1.00 0.00 C ATOM 339 O GLU A 22 -7.159 -11.331 4.772 1.00 0.00 O ATOM 340 CB GLU A 22 -8.331 -8.429 4.506 1.00 0.00 C ATOM 341 CG GLU A 22 -8.396 -7.025 5.079 1.00 0.00 C ATOM 342 CD GLU A 22 -9.818 -6.550 5.290 1.00 0.00 C ATOM 343 OE1 GLU A 22 -10.402 -5.959 4.358 1.00 0.00 O ATOM 344 OE2 GLU A 22 -10.356 -6.758 6.399 1.00 0.00 O ATOM 0 H GLU A 22 -6.718 -7.596 2.825 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.401 -8.948 5.340 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.802 -8.432 3.523 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.913 -9.097 5.140 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.863 -6.999 6.029 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.883 -6.338 4.407 1.00 0.00 H new ATOM 351 N ASN A 23 -6.813 -10.702 2.650 1.00 0.00 N ATOM 352 CA ASN A 23 -7.086 -12.036 2.125 1.00 0.00 C ATOM 353 C ASN A 23 -5.881 -12.655 1.423 1.00 0.00 C ATOM 354 O ASN A 23 -5.570 -13.826 1.632 1.00 0.00 O ATOM 355 CB ASN A 23 -8.260 -11.978 1.145 1.00 0.00 C ATOM 356 CG ASN A 23 -8.754 -13.352 0.739 1.00 0.00 C ATOM 357 OD1 ASN A 23 -8.731 -14.292 1.533 1.00 0.00 O ATOM 358 ND2 ASN A 23 -9.198 -13.479 -0.502 1.00 0.00 N ATOM 0 H ASN A 23 -6.500 -10.022 1.957 1.00 0.00 H new ATOM 0 HA ASN A 23 -7.328 -12.667 2.980 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -9.080 -11.422 1.600 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.957 -11.428 0.254 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -9.538 -14.382 -0.832 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -9.200 -12.674 -1.128 1.00 0.00 H new ATOM 365 N GLY A 24 -5.201 -11.868 0.602 1.00 0.00 N ATOM 366 CA GLY A 24 -4.189 -12.418 -0.275 1.00 0.00 C ATOM 367 C GLY A 24 -2.827 -12.552 0.371 1.00 0.00 C ATOM 368 O GLY A 24 -2.556 -13.529 1.072 1.00 0.00 O ATOM 0 H GLY A 24 -5.332 -10.859 0.528 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.515 -13.399 -0.620 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.102 -11.783 -1.157 1.00 0.00 H new ATOM 372 N ASP A 25 -1.981 -11.561 0.143 1.00 0.00 N ATOM 373 CA ASP A 25 -0.578 -11.623 0.543 1.00 0.00 C ATOM 374 C ASP A 25 0.027 -10.230 0.375 1.00 0.00 C ATOM 375 O ASP A 25 -0.708 -9.245 0.388 1.00 0.00 O ATOM 376 CB ASP A 25 0.159 -12.658 -0.324 1.00 0.00 C ATOM 377 CG ASP A 25 1.493 -13.093 0.252 1.00 0.00 C ATOM 378 OD1 ASP A 25 1.526 -14.061 1.043 1.00 0.00 O ATOM 379 OD2 ASP A 25 2.520 -12.479 -0.097 1.00 0.00 O ATOM 0 H ASP A 25 -2.243 -10.692 -0.323 1.00 0.00 H new ATOM 0 HA ASP A 25 -0.484 -11.932 1.584 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.477 -13.535 -0.448 1.00 0.00 H new ATOM 0 HB3 ASP A 25 0.321 -12.239 -1.317 1.00 0.00 H new ATOM 384 N ASN A 26 1.343 -10.124 0.227 1.00 0.00 N ATOM 385 CA ASN A 26 1.958 -8.826 0.010 1.00 0.00 C ATOM 386 C ASN A 26 1.713 -8.363 -1.423 1.00 0.00 C ATOM 387 O ASN A 26 1.898 -9.118 -2.381 1.00 0.00 O ATOM 388 CB ASN A 26 3.460 -8.828 0.350 1.00 0.00 C ATOM 389 CG ASN A 26 4.378 -9.421 -0.717 1.00 0.00 C ATOM 390 OD1 ASN A 26 5.411 -8.833 -1.038 1.00 0.00 O ATOM 391 ND2 ASN A 26 4.063 -10.603 -1.223 1.00 0.00 N ATOM 0 H ASN A 26 1.993 -10.909 0.253 1.00 0.00 H new ATOM 0 HA ASN A 26 1.489 -8.117 0.692 1.00 0.00 H new ATOM 0 HB2 ASN A 26 3.772 -7.801 0.542 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.604 -9.384 1.277 1.00 0.00 H new ATOM 0 HD21 ASN A 26 4.683 -11.051 -1.898 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.200 -11.066 -0.938 1.00 0.00 H new ATOM 398 N ARG A 27 1.242 -7.136 -1.549 1.00 0.00 N ATOM 399 CA ARG A 27 0.920 -6.559 -2.845 1.00 0.00 C ATOM 400 C ARG A 27 1.896 -5.438 -3.151 1.00 0.00 C ATOM 401 O ARG A 27 2.372 -4.759 -2.238 1.00 0.00 O ATOM 402 CB ARG A 27 -0.519 -6.033 -2.839 1.00 0.00 C ATOM 403 CG ARG A 27 -1.474 -6.917 -2.048 1.00 0.00 C ATOM 404 CD ARG A 27 -2.928 -6.540 -2.268 1.00 0.00 C ATOM 405 NE ARG A 27 -3.429 -7.030 -3.550 1.00 0.00 N ATOM 406 CZ ARG A 27 -4.161 -8.138 -3.680 1.00 0.00 C ATOM 407 NH1 ARG A 27 -4.453 -8.882 -2.617 1.00 0.00 N ATOM 408 NH2 ARG A 27 -4.583 -8.519 -4.877 1.00 0.00 N ATOM 0 H ARG A 27 1.072 -6.512 -0.760 1.00 0.00 H new ATOM 0 HA ARG A 27 1.003 -7.323 -3.618 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.530 -5.028 -2.418 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.874 -5.952 -3.866 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.324 -7.958 -2.335 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.239 -6.842 -0.986 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.535 -6.949 -1.460 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.032 -5.456 -2.228 1.00 0.00 H new ATOM 0 HE ARG A 27 -3.207 -6.497 -4.391 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.117 -8.607 -1.694 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.013 -9.728 -2.725 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.348 -7.965 -5.701 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.142 -9.366 -4.975 1.00 0.00 H new ATOM 422 N TYR A 28 2.212 -5.264 -4.424 1.00 0.00 N ATOM 423 CA TYR A 28 3.135 -4.223 -4.842 1.00 0.00 C ATOM 424 C TYR A 28 2.426 -2.878 -4.866 1.00 0.00 C ATOM 425 O TYR A 28 1.460 -2.685 -5.608 1.00 0.00 O ATOM 426 CB TYR A 28 3.708 -4.541 -6.226 1.00 0.00 C ATOM 427 CG TYR A 28 4.846 -3.634 -6.654 1.00 0.00 C ATOM 428 CD1 TYR A 28 4.599 -2.405 -7.257 1.00 0.00 C ATOM 429 CD2 TYR A 28 6.167 -4.014 -6.458 1.00 0.00 C ATOM 430 CE1 TYR A 28 5.637 -1.584 -7.652 1.00 0.00 C ATOM 431 CE2 TYR A 28 7.212 -3.196 -6.850 1.00 0.00 C ATOM 432 CZ TYR A 28 6.942 -1.983 -7.446 1.00 0.00 C ATOM 433 OH TYR A 28 7.979 -1.165 -7.836 1.00 0.00 O ATOM 0 H TYR A 28 1.842 -5.832 -5.186 1.00 0.00 H new ATOM 0 HA TYR A 28 3.957 -4.178 -4.128 1.00 0.00 H new ATOM 0 HB2 TYR A 28 4.059 -5.573 -6.233 1.00 0.00 H new ATOM 0 HB3 TYR A 28 2.907 -4.472 -6.962 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.579 -2.088 -7.419 1.00 0.00 H new ATOM 0 HD2 TYR A 28 6.383 -4.964 -5.992 1.00 0.00 H new ATOM 0 HE1 TYR A 28 5.428 -0.633 -8.120 1.00 0.00 H new ATOM 0 HE2 TYR A 28 8.234 -3.507 -6.690 1.00 0.00 H new ATOM 0 HH TYR A 28 8.328 -0.685 -7.056 1.00 0.00 H new ATOM 443 N PHE A 29 2.892 -1.959 -4.038 1.00 0.00 N ATOM 444 CA PHE A 29 2.349 -0.617 -4.021 1.00 0.00 C ATOM 445 C PHE A 29 3.374 0.360 -4.553 1.00 0.00 C ATOM 446 O PHE A 29 4.578 0.151 -4.415 1.00 0.00 O ATOM 447 CB PHE A 29 1.913 -0.209 -2.616 1.00 0.00 C ATOM 448 CG PHE A 29 0.673 -0.913 -2.145 1.00 0.00 C ATOM 449 CD1 PHE A 29 0.699 -2.257 -1.819 1.00 0.00 C ATOM 450 CD2 PHE A 29 -0.522 -0.228 -2.040 1.00 0.00 C ATOM 451 CE1 PHE A 29 -0.442 -2.903 -1.392 1.00 0.00 C ATOM 452 CE2 PHE A 29 -1.668 -0.868 -1.613 1.00 0.00 C ATOM 453 CZ PHE A 29 -1.628 -2.209 -1.289 1.00 0.00 C ATOM 0 H PHE A 29 3.645 -2.120 -3.370 1.00 0.00 H new ATOM 0 HA PHE A 29 1.467 -0.601 -4.661 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.725 -0.414 -1.918 1.00 0.00 H new ATOM 0 HB3 PHE A 29 1.740 0.867 -2.596 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.625 -2.807 -1.900 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.560 0.821 -2.295 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.406 -3.952 -1.138 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.595 -0.320 -1.533 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.523 -2.713 -0.956 1.00 0.00 H new ATOM 463 N HIS A 30 2.888 1.426 -5.151 1.00 0.00 N ATOM 464 CA HIS A 30 3.739 2.391 -5.813 1.00 0.00 C ATOM 465 C HIS A 30 3.118 3.783 -5.708 1.00 0.00 C ATOM 466 O HIS A 30 1.913 3.944 -5.898 1.00 0.00 O ATOM 467 CB HIS A 30 3.931 1.967 -7.277 1.00 0.00 C ATOM 468 CG HIS A 30 4.830 2.857 -8.084 1.00 0.00 C ATOM 469 ND1 HIS A 30 4.586 3.148 -9.405 1.00 0.00 N ATOM 470 CD2 HIS A 30 5.959 3.532 -7.755 1.00 0.00 C ATOM 471 CE1 HIS A 30 5.512 3.971 -9.857 1.00 0.00 C ATOM 472 NE2 HIS A 30 6.359 4.216 -8.875 1.00 0.00 N ATOM 0 H HIS A 30 1.893 1.648 -5.192 1.00 0.00 H new ATOM 0 HA HIS A 30 4.717 2.427 -5.333 1.00 0.00 H new ATOM 0 HB2 HIS A 30 4.335 0.955 -7.296 1.00 0.00 H new ATOM 0 HB3 HIS A 30 2.954 1.929 -7.759 1.00 0.00 H new ATOM 0 HD2 HIS A 30 6.450 3.531 -6.793 1.00 0.00 H new ATOM 0 HE1 HIS A 30 5.568 4.375 -10.857 1.00 0.00 H new ATOM 0 HE2 HIS A 30 7.180 4.818 -8.939 1.00 0.00 H new ATOM 481 N VAL A 31 3.961 4.768 -5.398 1.00 0.00 N ATOM 482 CA VAL A 31 3.543 6.151 -5.125 1.00 0.00 C ATOM 483 C VAL A 31 2.522 6.707 -6.134 1.00 0.00 C ATOM 484 O VAL A 31 1.630 7.467 -5.759 1.00 0.00 O ATOM 485 CB VAL A 31 4.783 7.080 -5.070 1.00 0.00 C ATOM 486 CG1 VAL A 31 5.561 7.038 -6.381 1.00 0.00 C ATOM 487 CG2 VAL A 31 4.386 8.510 -4.731 1.00 0.00 C ATOM 0 H VAL A 31 4.969 4.630 -5.327 1.00 0.00 H new ATOM 0 HA VAL A 31 3.038 6.127 -4.159 1.00 0.00 H new ATOM 0 HB VAL A 31 5.433 6.711 -4.276 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.425 7.699 -6.313 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.898 6.019 -6.572 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.917 7.366 -7.197 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.277 9.137 -4.700 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.703 8.888 -5.491 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.894 8.530 -3.759 1.00 0.00 H new ATOM 497 N ILE A 32 2.643 6.310 -7.397 1.00 0.00 N ATOM 498 CA ILE A 32 1.783 6.829 -8.462 1.00 0.00 C ATOM 499 C ILE A 32 0.294 6.580 -8.185 1.00 0.00 C ATOM 500 O ILE A 32 -0.560 7.405 -8.516 1.00 0.00 O ATOM 501 CB ILE A 32 2.161 6.204 -9.825 1.00 0.00 C ATOM 502 CG1 ILE A 32 1.299 6.785 -10.937 1.00 0.00 C ATOM 503 CG2 ILE A 32 2.008 4.692 -9.787 1.00 0.00 C ATOM 504 CD1 ILE A 32 1.798 6.457 -12.325 1.00 0.00 C ATOM 0 H ILE A 32 3.332 5.627 -7.712 1.00 0.00 H new ATOM 0 HA ILE A 32 1.945 7.906 -8.493 1.00 0.00 H new ATOM 0 HB ILE A 32 3.205 6.443 -10.027 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.281 6.411 -10.829 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.255 7.868 -10.823 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.279 4.274 -10.757 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.662 4.279 -9.018 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.973 4.437 -9.559 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.134 6.904 -13.065 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.805 6.855 -12.453 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.815 5.375 -12.459 1.00 0.00 H new ATOM 516 N LYS A 33 -0.004 5.452 -7.560 1.00 0.00 N ATOM 517 CA LYS A 33 -1.385 5.048 -7.326 1.00 0.00 C ATOM 518 C LYS A 33 -1.818 5.348 -5.895 1.00 0.00 C ATOM 519 O LYS A 33 -2.837 4.837 -5.433 1.00 0.00 O ATOM 520 CB LYS A 33 -1.556 3.554 -7.618 1.00 0.00 C ATOM 521 CG LYS A 33 -1.326 3.184 -9.074 1.00 0.00 C ATOM 522 CD LYS A 33 -2.323 3.878 -9.988 1.00 0.00 C ATOM 523 CE LYS A 33 -2.087 3.515 -11.442 1.00 0.00 C ATOM 524 NZ LYS A 33 -3.073 4.173 -12.340 1.00 0.00 N ATOM 0 H LYS A 33 0.692 4.797 -7.204 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.019 5.624 -8.000 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.862 2.990 -6.995 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.562 3.250 -7.330 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.312 3.458 -9.365 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -1.411 2.104 -9.194 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.337 3.599 -9.702 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.243 4.958 -9.863 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.078 3.809 -11.731 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.150 2.433 -11.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.880 3.902 -13.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.034 3.873 -12.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.995 5.206 -12.244 1.00 0.00 H new ATOM 538 N VAL A 34 -1.050 6.180 -5.198 1.00 0.00 N ATOM 539 CA VAL A 34 -1.370 6.533 -3.823 1.00 0.00 C ATOM 540 C VAL A 34 -1.724 8.013 -3.726 1.00 0.00 C ATOM 541 O VAL A 34 -1.045 8.863 -4.305 1.00 0.00 O ATOM 542 CB VAL A 34 -0.202 6.223 -2.862 1.00 0.00 C ATOM 543 CG1 VAL A 34 -0.630 6.436 -1.420 1.00 0.00 C ATOM 544 CG2 VAL A 34 0.305 4.804 -3.066 1.00 0.00 C ATOM 0 H VAL A 34 -0.205 6.620 -5.563 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.226 5.927 -3.525 1.00 0.00 H new ATOM 0 HB VAL A 34 0.615 6.909 -3.085 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.205 6.213 -0.756 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.937 7.472 -1.281 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.465 5.775 -1.187 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.128 4.609 -2.378 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.503 4.098 -2.875 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.654 4.686 -4.092 1.00 0.00 H new ATOM 554 N ALA A 35 -2.799 8.310 -3.009 1.00 0.00 N ATOM 555 CA ALA A 35 -3.251 9.685 -2.832 1.00 0.00 C ATOM 556 C ALA A 35 -2.365 10.433 -1.844 1.00 0.00 C ATOM 557 O ALA A 35 -2.066 11.618 -2.021 1.00 0.00 O ATOM 558 CB ALA A 35 -4.694 9.706 -2.358 1.00 0.00 C ATOM 0 H ALA A 35 -3.377 7.614 -2.538 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.184 10.188 -3.796 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.020 10.738 -2.230 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.327 9.215 -3.097 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.772 9.180 -1.407 1.00 0.00 H new ATOM 564 N ASN A 36 -1.949 9.729 -0.805 1.00 0.00 N ATOM 565 CA ASN A 36 -1.131 10.307 0.252 1.00 0.00 C ATOM 566 C ASN A 36 0.022 9.371 0.613 1.00 0.00 C ATOM 567 O ASN A 36 -0.019 8.672 1.625 1.00 0.00 O ATOM 568 CB ASN A 36 -1.993 10.622 1.485 1.00 0.00 C ATOM 569 CG ASN A 36 -3.082 9.585 1.743 1.00 0.00 C ATOM 570 OD1 ASN A 36 -2.943 8.406 1.418 1.00 0.00 O ATOM 571 ND2 ASN A 36 -4.186 10.023 2.329 1.00 0.00 N ATOM 0 H ASN A 36 -2.167 8.742 -0.669 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.703 11.242 -0.111 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -1.349 10.688 2.362 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.456 11.600 1.355 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -4.951 9.377 2.523 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -4.271 11.006 2.586 1.00 0.00 H new ATOM 578 N PRO A 37 1.075 9.357 -0.217 1.00 0.00 N ATOM 579 CA PRO A 37 2.172 8.389 -0.096 1.00 0.00 C ATOM 580 C PRO A 37 3.098 8.646 1.092 1.00 0.00 C ATOM 581 O PRO A 37 3.816 7.747 1.526 1.00 0.00 O ATOM 582 CB PRO A 37 2.936 8.560 -1.408 1.00 0.00 C ATOM 583 CG PRO A 37 2.674 9.969 -1.815 1.00 0.00 C ATOM 584 CD PRO A 37 1.280 10.285 -1.348 1.00 0.00 C ATOM 0 HA PRO A 37 1.788 7.384 0.079 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.002 8.378 -1.272 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.587 7.857 -2.165 1.00 0.00 H new ATOM 0 HG2 PRO A 37 3.399 10.646 -1.364 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.759 10.085 -2.896 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.188 11.325 -1.035 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.546 10.123 -2.138 1.00 0.00 H new ATOM 592 N ASP A 38 3.091 9.863 1.621 1.00 0.00 N ATOM 593 CA ASP A 38 3.971 10.196 2.739 1.00 0.00 C ATOM 594 C ASP A 38 3.404 9.658 4.047 1.00 0.00 C ATOM 595 O ASP A 38 4.139 9.411 5.004 1.00 0.00 O ATOM 596 CB ASP A 38 4.186 11.705 2.848 1.00 0.00 C ATOM 597 CG ASP A 38 5.294 12.047 3.827 1.00 0.00 C ATOM 598 OD1 ASP A 38 6.476 12.017 3.426 1.00 0.00 O ATOM 599 OD2 ASP A 38 4.991 12.341 5.006 1.00 0.00 O ATOM 0 H ASP A 38 2.496 10.627 1.301 1.00 0.00 H new ATOM 0 HA ASP A 38 4.936 9.726 2.548 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.431 12.109 1.866 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.259 12.182 3.167 1.00 0.00 H new ATOM 604 N LEU A 39 2.097 9.433 4.066 1.00 0.00 N ATOM 605 CA LEU A 39 1.425 8.932 5.252 1.00 0.00 C ATOM 606 C LEU A 39 1.651 7.433 5.366 1.00 0.00 C ATOM 607 O LEU A 39 1.363 6.815 6.394 1.00 0.00 O ATOM 608 CB LEU A 39 -0.070 9.242 5.186 1.00 0.00 C ATOM 609 CG LEU A 39 -0.433 10.727 5.199 1.00 0.00 C ATOM 610 CD1 LEU A 39 -1.944 10.904 5.157 1.00 0.00 C ATOM 611 CD2 LEU A 39 0.150 11.412 6.426 1.00 0.00 C ATOM 0 H LEU A 39 1.481 9.591 3.269 1.00 0.00 H new ATOM 0 HA LEU A 39 1.837 9.424 6.133 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.477 8.794 4.280 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.562 8.758 6.030 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.004 11.193 4.312 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.186 11.967 5.167 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.338 10.450 4.248 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.391 10.422 6.026 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.120 12.468 6.416 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.247 10.944 7.327 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.236 11.315 6.415 1.00 0.00 H new ATOM 623 N ILE A 40 2.176 6.869 4.290 1.00 0.00 N ATOM 624 CA ILE A 40 2.520 5.463 4.229 1.00 0.00 C ATOM 625 C ILE A 40 3.736 5.175 5.100 1.00 0.00 C ATOM 626 O ILE A 40 4.827 5.698 4.862 1.00 0.00 O ATOM 627 CB ILE A 40 2.814 5.031 2.777 1.00 0.00 C ATOM 628 CG1 ILE A 40 1.559 5.163 1.910 1.00 0.00 C ATOM 629 CG2 ILE A 40 3.349 3.605 2.734 1.00 0.00 C ATOM 630 CD1 ILE A 40 1.767 4.718 0.479 1.00 0.00 C ATOM 0 H ILE A 40 2.376 7.380 3.430 1.00 0.00 H new ATOM 0 HA ILE A 40 1.668 4.894 4.600 1.00 0.00 H new ATOM 0 HB ILE A 40 3.580 5.693 2.374 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.757 4.573 2.353 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.231 6.202 1.915 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.549 3.322 1.700 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.271 3.545 3.312 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.610 2.926 3.159 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.838 4.838 -0.078 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.547 5.325 0.019 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.066 3.670 0.464 1.00 0.00 H new ATOM 642 N LYS A 41 3.529 4.368 6.126 1.00 0.00 N ATOM 643 CA LYS A 41 4.600 3.944 7.011 1.00 0.00 C ATOM 644 C LYS A 41 4.212 2.642 7.696 1.00 0.00 C ATOM 645 O LYS A 41 3.061 2.213 7.610 1.00 0.00 O ATOM 646 CB LYS A 41 4.925 5.030 8.044 1.00 0.00 C ATOM 647 CG LYS A 41 3.710 5.588 8.763 1.00 0.00 C ATOM 648 CD LYS A 41 4.111 6.582 9.847 1.00 0.00 C ATOM 649 CE LYS A 41 4.969 7.720 9.303 1.00 0.00 C ATOM 650 NZ LYS A 41 4.270 8.490 8.241 1.00 0.00 N ATOM 0 H LYS A 41 2.614 3.988 6.369 1.00 0.00 H new ATOM 0 HA LYS A 41 5.499 3.778 6.418 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.613 4.619 8.782 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.445 5.847 7.544 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.053 6.077 8.044 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.142 4.771 9.209 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.214 6.995 10.307 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.660 6.059 10.631 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.239 8.391 10.118 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.898 7.314 8.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.839 9.322 7.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.140 7.887 7.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.341 8.800 8.591 1.00 0.00 H new ATOM 664 N LYS A 42 5.169 2.021 8.367 1.00 0.00 N ATOM 665 CA LYS A 42 4.944 0.728 8.996 1.00 0.00 C ATOM 666 C LYS A 42 3.843 0.829 10.052 1.00 0.00 C ATOM 667 O LYS A 42 3.748 1.832 10.767 1.00 0.00 O ATOM 668 CB LYS A 42 6.260 0.217 9.611 1.00 0.00 C ATOM 669 CG LYS A 42 6.268 -1.269 9.960 1.00 0.00 C ATOM 670 CD LYS A 42 5.572 -1.557 11.281 1.00 0.00 C ATOM 671 CE LYS A 42 5.530 -3.046 11.575 1.00 0.00 C ATOM 672 NZ LYS A 42 4.752 -3.345 12.808 1.00 0.00 N ATOM 0 H LYS A 42 6.111 2.392 8.491 1.00 0.00 H new ATOM 0 HA LYS A 42 4.613 0.014 8.242 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.073 0.416 8.913 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.469 0.789 10.515 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.777 -1.829 9.164 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.298 -1.622 10.010 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.092 -1.040 12.088 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.556 -1.162 11.252 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.086 -3.571 10.729 1.00 0.00 H new ATOM 0 HE3 LYS A 42 6.547 -3.423 11.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.747 -4.372 12.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.190 -2.865 13.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.775 -3.008 12.692 1.00 0.00 H new ATOM 686 N ASP A 43 2.998 -0.209 10.098 1.00 0.00 N ATOM 687 CA ASP A 43 1.920 -0.338 11.091 1.00 0.00 C ATOM 688 C ASP A 43 0.727 0.572 10.764 1.00 0.00 C ATOM 689 O ASP A 43 -0.259 0.621 11.500 1.00 0.00 O ATOM 690 CB ASP A 43 2.462 -0.071 12.505 1.00 0.00 C ATOM 691 CG ASP A 43 1.417 -0.205 13.592 1.00 0.00 C ATOM 692 OD1 ASP A 43 0.896 -1.322 13.796 1.00 0.00 O ATOM 693 OD2 ASP A 43 1.119 0.808 14.255 1.00 0.00 O ATOM 0 H ASP A 43 3.042 -0.990 9.443 1.00 0.00 H new ATOM 0 HA ASP A 43 1.550 -1.363 11.053 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.277 -0.765 12.709 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.883 0.934 12.540 1.00 0.00 H new ATOM 698 N ALA A 44 0.793 1.255 9.631 1.00 0.00 N ATOM 699 CA ALA A 44 -0.331 2.058 9.169 1.00 0.00 C ATOM 700 C ALA A 44 -1.226 1.236 8.248 1.00 0.00 C ATOM 701 O ALA A 44 -0.777 0.258 7.648 1.00 0.00 O ATOM 702 CB ALA A 44 0.161 3.314 8.467 1.00 0.00 C ATOM 0 H ALA A 44 1.607 1.270 9.017 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.919 2.364 10.035 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.693 3.900 8.129 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.758 3.908 9.159 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.772 3.035 7.608 1.00 0.00 H new ATOM 708 N ALA A 45 -2.487 1.627 8.143 1.00 0.00 N ATOM 709 CA ALA A 45 -3.437 0.916 7.301 1.00 0.00 C ATOM 710 C ALA A 45 -3.778 1.737 6.067 1.00 0.00 C ATOM 711 O ALA A 45 -3.758 2.967 6.108 1.00 0.00 O ATOM 712 CB ALA A 45 -4.698 0.582 8.086 1.00 0.00 C ATOM 0 H ALA A 45 -2.876 2.434 8.631 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.976 -0.017 6.975 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.398 0.050 7.441 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.440 -0.047 8.938 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.160 1.503 8.441 1.00 0.00 H new ATOM 718 N VAL A 46 -4.073 1.059 4.968 1.00 0.00 N ATOM 719 CA VAL A 46 -4.445 1.729 3.730 1.00 0.00 C ATOM 720 C VAL A 46 -5.656 1.060 3.093 1.00 0.00 C ATOM 721 O VAL A 46 -5.865 -0.142 3.245 1.00 0.00 O ATOM 722 CB VAL A 46 -3.292 1.739 2.702 1.00 0.00 C ATOM 723 CG1 VAL A 46 -2.124 2.572 3.201 1.00 0.00 C ATOM 724 CG2 VAL A 46 -2.837 0.323 2.382 1.00 0.00 C ATOM 0 H VAL A 46 -4.062 0.041 4.908 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.683 2.758 3.999 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.668 2.194 1.786 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.326 2.562 2.458 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.453 3.598 3.366 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.753 2.155 4.137 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.025 0.357 1.656 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.489 -0.162 3.294 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.671 -0.242 1.966 1.00 0.00 H new ATOM 734 N THR A 47 -6.447 1.850 2.386 1.00 0.00 N ATOM 735 CA THR A 47 -7.596 1.341 1.655 1.00 0.00 C ATOM 736 C THR A 47 -7.334 1.409 0.158 1.00 0.00 C ATOM 737 O THR A 47 -6.773 2.391 -0.335 1.00 0.00 O ATOM 738 CB THR A 47 -8.886 2.117 2.004 1.00 0.00 C ATOM 739 OG1 THR A 47 -8.631 3.530 2.049 1.00 0.00 O ATOM 740 CG2 THR A 47 -9.451 1.654 3.337 1.00 0.00 C ATOM 0 H THR A 47 -6.312 2.858 2.303 1.00 0.00 H new ATOM 0 HA THR A 47 -7.744 0.302 1.951 1.00 0.00 H new ATOM 0 HB THR A 47 -9.619 1.915 1.223 1.00 0.00 H new ATOM 0 HG1 THR A 47 -7.875 3.745 1.464 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.359 2.214 3.562 1.00 0.00 H new ATOM 0 HG22 THR A 47 -9.685 0.591 3.284 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.715 1.825 4.123 1.00 0.00 H new ATOM 748 N PHE A 48 -7.721 0.361 -0.554 1.00 0.00 N ATOM 749 CA PHE A 48 -7.427 0.242 -1.976 1.00 0.00 C ATOM 750 C PHE A 48 -8.344 -0.783 -2.626 1.00 0.00 C ATOM 751 O PHE A 48 -9.195 -1.376 -1.960 1.00 0.00 O ATOM 752 CB PHE A 48 -5.970 -0.188 -2.167 1.00 0.00 C ATOM 753 CG PHE A 48 -5.594 -1.414 -1.371 1.00 0.00 C ATOM 754 CD1 PHE A 48 -5.896 -2.685 -1.837 1.00 0.00 C ATOM 755 CD2 PHE A 48 -4.944 -1.292 -0.153 1.00 0.00 C ATOM 756 CE1 PHE A 48 -5.557 -3.807 -1.107 1.00 0.00 C ATOM 757 CE2 PHE A 48 -4.604 -2.412 0.581 1.00 0.00 C ATOM 758 CZ PHE A 48 -4.910 -3.671 0.103 1.00 0.00 C ATOM 0 H PHE A 48 -8.243 -0.425 -0.167 1.00 0.00 H new ATOM 0 HA PHE A 48 -7.590 1.211 -2.447 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.793 -0.383 -3.225 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.316 0.636 -1.881 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.403 -2.799 -2.784 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.701 -0.311 0.227 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -5.798 -4.790 -1.483 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.099 -2.303 1.529 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.643 -4.547 0.676 1.00 0.00 H new ATOM 768 N GLU A 49 -8.166 -0.998 -3.922 1.00 0.00 N ATOM 769 CA GLU A 49 -8.872 -2.062 -4.609 1.00 0.00 C ATOM 770 C GLU A 49 -7.918 -3.226 -4.868 1.00 0.00 C ATOM 771 O GLU A 49 -6.741 -3.015 -5.172 1.00 0.00 O ATOM 772 CB GLU A 49 -9.464 -1.548 -5.924 1.00 0.00 C ATOM 773 CG GLU A 49 -8.425 -1.070 -6.928 1.00 0.00 C ATOM 774 CD GLU A 49 -9.049 -0.414 -8.139 1.00 0.00 C ATOM 775 OE1 GLU A 49 -9.392 -1.128 -9.107 1.00 0.00 O ATOM 776 OE2 GLU A 49 -9.207 0.824 -8.127 1.00 0.00 O ATOM 0 H GLU A 49 -7.541 -0.451 -4.514 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.692 -2.410 -3.981 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.055 -2.343 -6.379 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.148 -0.727 -5.706 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.753 -0.363 -6.442 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.819 -1.917 -7.249 1.00 0.00 H new ATOM 783 N PRO A 50 -8.405 -4.466 -4.746 1.00 0.00 N ATOM 784 CA PRO A 50 -7.598 -5.662 -4.951 1.00 0.00 C ATOM 785 C PRO A 50 -7.561 -6.093 -6.414 1.00 0.00 C ATOM 786 O PRO A 50 -8.582 -6.071 -7.104 1.00 0.00 O ATOM 787 CB PRO A 50 -8.314 -6.728 -4.100 1.00 0.00 C ATOM 788 CG PRO A 50 -9.573 -6.086 -3.586 1.00 0.00 C ATOM 789 CD PRO A 50 -9.772 -4.819 -4.371 1.00 0.00 C ATOM 0 HA PRO A 50 -6.557 -5.501 -4.673 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -8.544 -7.611 -4.696 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -7.681 -7.056 -3.276 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -10.425 -6.754 -3.710 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -9.489 -5.871 -2.521 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -10.405 -4.977 -5.244 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -10.243 -4.040 -3.772 1.00 0.00 H new ATOM 797 N THR A 51 -6.379 -6.469 -6.889 1.00 0.00 N ATOM 798 CA THR A 51 -6.230 -6.970 -8.243 1.00 0.00 C ATOM 799 C THR A 51 -4.941 -7.785 -8.352 1.00 0.00 C ATOM 800 O THR A 51 -4.120 -7.784 -7.429 1.00 0.00 O ATOM 801 CB THR A 51 -6.226 -5.815 -9.270 1.00 0.00 C ATOM 802 OG1 THR A 51 -6.437 -6.322 -10.592 1.00 0.00 O ATOM 803 CG2 THR A 51 -4.913 -5.046 -9.224 1.00 0.00 C ATOM 0 H THR A 51 -5.512 -6.435 -6.353 1.00 0.00 H new ATOM 0 HA THR A 51 -7.082 -7.611 -8.469 1.00 0.00 H new ATOM 0 HB THR A 51 -7.038 -5.136 -9.009 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.434 -5.579 -11.232 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.938 -4.239 -9.957 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.771 -4.627 -8.228 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.088 -5.720 -9.455 1.00 0.00 H new ATOM 811 N THR A 52 -4.765 -8.489 -9.457 1.00 0.00 N ATOM 812 CA THR A 52 -3.594 -9.326 -9.639 1.00 0.00 C ATOM 813 C THR A 52 -2.671 -8.735 -10.701 1.00 0.00 C ATOM 814 O THR A 52 -3.112 -7.974 -11.567 1.00 0.00 O ATOM 815 CB THR A 52 -4.003 -10.753 -10.046 1.00 0.00 C ATOM 816 OG1 THR A 52 -5.181 -11.141 -9.324 1.00 0.00 O ATOM 817 CG2 THR A 52 -2.889 -11.749 -9.757 1.00 0.00 C ATOM 0 H THR A 52 -5.418 -8.497 -10.240 1.00 0.00 H new ATOM 0 HA THR A 52 -3.061 -9.368 -8.689 1.00 0.00 H new ATOM 0 HB THR A 52 -4.201 -10.756 -11.118 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.441 -12.049 -9.586 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.208 -12.748 -10.055 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.997 -11.470 -10.318 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.663 -11.743 -8.691 1.00 0.00 H new ATOM 825 N ASN A 53 -1.400 -9.083 -10.622 1.00 0.00 N ATOM 826 CA ASN A 53 -0.400 -8.580 -11.546 1.00 0.00 C ATOM 827 C ASN A 53 0.452 -9.737 -12.058 1.00 0.00 C ATOM 828 O ASN A 53 0.537 -10.779 -11.411 1.00 0.00 O ATOM 829 CB ASN A 53 0.479 -7.540 -10.853 1.00 0.00 C ATOM 830 CG ASN A 53 1.327 -6.779 -11.842 1.00 0.00 C ATOM 831 OD1 ASN A 53 2.486 -7.116 -12.078 1.00 0.00 O ATOM 832 ND2 ASN A 53 0.735 -5.774 -12.457 1.00 0.00 N ATOM 0 H ASN A 53 -1.032 -9.721 -9.917 1.00 0.00 H new ATOM 0 HA ASN A 53 -0.898 -8.105 -12.391 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -0.150 -6.842 -10.300 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.123 -8.034 -10.126 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.241 -5.239 -13.163 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -0.229 -5.532 -12.227 1.00 0.00 H new ATOM 839 N ASN A 54 1.085 -9.556 -13.206 1.00 0.00 N ATOM 840 CA ASN A 54 1.924 -10.598 -13.792 1.00 0.00 C ATOM 841 C ASN A 54 3.293 -10.666 -13.112 1.00 0.00 C ATOM 842 O ASN A 54 4.195 -11.365 -13.578 1.00 0.00 O ATOM 843 CB ASN A 54 2.086 -10.370 -15.296 1.00 0.00 C ATOM 844 CG ASN A 54 0.861 -10.803 -16.083 1.00 0.00 C ATOM 845 OD1 ASN A 54 0.768 -11.949 -16.526 1.00 0.00 O ATOM 846 ND2 ASN A 54 -0.093 -9.902 -16.252 1.00 0.00 N ATOM 0 H ASN A 54 1.036 -8.697 -13.754 1.00 0.00 H new ATOM 0 HA ASN A 54 1.426 -11.554 -13.631 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.279 -9.313 -15.482 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.957 -10.920 -15.652 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.941 -10.147 -16.764 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.019 -8.963 -15.871 1.00 0.00 H new ATOM 853 N LYS A 55 3.447 -9.933 -12.015 1.00 0.00 N ATOM 854 CA LYS A 55 4.656 -10.002 -11.207 1.00 0.00 C ATOM 855 C LYS A 55 4.300 -10.102 -9.722 1.00 0.00 C ATOM 856 O LYS A 55 5.129 -9.837 -8.854 1.00 0.00 O ATOM 857 CB LYS A 55 5.546 -8.782 -11.469 1.00 0.00 C ATOM 858 CG LYS A 55 7.033 -9.086 -11.352 1.00 0.00 C ATOM 859 CD LYS A 55 7.894 -7.903 -11.772 1.00 0.00 C ATOM 860 CE LYS A 55 9.377 -8.235 -11.660 1.00 0.00 C ATOM 861 NZ LYS A 55 10.244 -7.137 -12.173 1.00 0.00 N ATOM 0 H LYS A 55 2.745 -9.281 -11.665 1.00 0.00 H new ATOM 0 HA LYS A 55 5.211 -10.897 -11.488 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.338 -8.397 -12.467 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.287 -7.993 -10.763 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.267 -9.357 -10.323 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.276 -9.949 -11.972 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.657 -7.624 -12.799 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.663 -7.041 -11.146 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.625 -8.433 -10.617 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.585 -9.149 -12.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.243 -7.409 -12.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.028 -6.964 -13.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.067 -6.270 -11.626 1.00 0.00 H new ATOM 875 N GLY A 56 3.062 -10.502 -9.443 1.00 0.00 N ATOM 876 CA GLY A 56 2.624 -10.670 -8.070 1.00 0.00 C ATOM 877 C GLY A 56 1.222 -10.136 -7.840 1.00 0.00 C ATOM 878 O GLY A 56 0.373 -10.195 -8.728 1.00 0.00 O ATOM 0 H GLY A 56 2.354 -10.713 -10.146 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.654 -11.728 -7.809 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.319 -10.157 -7.405 1.00 0.00 H new ATOM 882 N LEU A 57 0.972 -9.626 -6.646 1.00 0.00 N ATOM 883 CA LEU A 57 -0.307 -9.025 -6.318 1.00 0.00 C ATOM 884 C LEU A 57 -0.198 -7.511 -6.393 1.00 0.00 C ATOM 885 O LEU A 57 0.882 -6.957 -6.189 1.00 0.00 O ATOM 886 CB LEU A 57 -0.741 -9.456 -4.921 1.00 0.00 C ATOM 887 CG LEU A 57 -1.030 -10.947 -4.760 1.00 0.00 C ATOM 888 CD1 LEU A 57 -1.447 -11.250 -3.331 1.00 0.00 C ATOM 889 CD2 LEU A 57 -2.112 -11.394 -5.733 1.00 0.00 C ATOM 0 H LEU A 57 1.647 -9.617 -5.881 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.056 -9.360 -7.035 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.039 -9.175 -4.213 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.636 -8.897 -4.648 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.118 -11.500 -4.985 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.650 -12.316 -3.230 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.644 -10.967 -2.650 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.346 -10.684 -3.087 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.302 -12.459 -5.601 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.028 -10.835 -5.540 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.782 -11.208 -6.755 1.00 0.00 H new ATOM 901 N SER A 58 -1.299 -6.837 -6.682 1.00 0.00 N ATOM 902 CA SER A 58 -1.257 -5.399 -6.853 1.00 0.00 C ATOM 903 C SER A 58 -2.521 -4.734 -6.330 1.00 0.00 C ATOM 904 O SER A 58 -3.507 -5.407 -6.004 1.00 0.00 O ATOM 905 CB SER A 58 -1.040 -5.052 -8.326 1.00 0.00 C ATOM 906 OG SER A 58 -1.707 -5.977 -9.170 1.00 0.00 O ATOM 0 H SER A 58 -2.220 -7.258 -6.801 1.00 0.00 H new ATOM 0 HA SER A 58 -0.420 -5.016 -6.269 1.00 0.00 H new ATOM 0 HB2 SER A 58 -1.406 -4.045 -8.524 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.027 -5.053 -8.550 1.00 0.00 H new ATOM 0 HG SER A 58 -1.775 -5.605 -10.074 1.00 0.00 H new ATOM 912 N ALA A 59 -2.462 -3.417 -6.213 1.00 0.00 N ATOM 913 CA ALA A 59 -3.593 -2.628 -5.751 1.00 0.00 C ATOM 914 C ALA A 59 -3.578 -1.243 -6.391 1.00 0.00 C ATOM 915 O ALA A 59 -2.519 -0.746 -6.771 1.00 0.00 O ATOM 916 CB ALA A 59 -3.560 -2.510 -4.238 1.00 0.00 C ATOM 0 H ALA A 59 -1.632 -2.867 -6.435 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.513 -3.132 -6.046 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.410 -1.918 -3.901 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.611 -3.504 -3.794 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.634 -2.023 -3.931 1.00 0.00 H new ATOM 922 N TYR A 60 -4.749 -0.629 -6.519 1.00 0.00 N ATOM 923 CA TYR A 60 -4.853 0.711 -7.087 1.00 0.00 C ATOM 924 C TYR A 60 -5.688 1.610 -6.184 1.00 0.00 C ATOM 925 O TYR A 60 -6.352 1.124 -5.264 1.00 0.00 O ATOM 926 CB TYR A 60 -5.484 0.677 -8.478 1.00 0.00 C ATOM 927 CG TYR A 60 -4.746 -0.173 -9.487 1.00 0.00 C ATOM 928 CD1 TYR A 60 -3.507 0.215 -9.979 1.00 0.00 C ATOM 929 CD2 TYR A 60 -5.294 -1.360 -9.955 1.00 0.00 C ATOM 930 CE1 TYR A 60 -2.835 -0.558 -10.905 1.00 0.00 C ATOM 931 CE2 TYR A 60 -4.628 -2.138 -10.881 1.00 0.00 C ATOM 932 CZ TYR A 60 -3.400 -1.733 -11.355 1.00 0.00 C ATOM 933 OH TYR A 60 -2.734 -2.506 -12.279 1.00 0.00 O ATOM 0 H TYR A 60 -5.640 -1.038 -6.237 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.842 1.109 -7.168 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -6.505 0.307 -8.390 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -5.546 1.696 -8.859 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -3.062 1.136 -9.632 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -6.258 -1.680 -9.588 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.870 -0.244 -11.276 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -5.068 -3.060 -11.232 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.269 -3.300 -12.488 1.00 0.00 H new ATOM 943 N ALA A 61 -5.651 2.913 -6.472 1.00 0.00 N ATOM 944 CA ALA A 61 -6.398 3.919 -5.717 1.00 0.00 C ATOM 945 C ALA A 61 -6.139 3.791 -4.218 1.00 0.00 C ATOM 946 O ALA A 61 -7.065 3.658 -3.416 1.00 0.00 O ATOM 947 CB ALA A 61 -7.886 3.821 -6.024 1.00 0.00 C ATOM 0 H ALA A 61 -5.100 3.300 -7.238 1.00 0.00 H new ATOM 0 HA ALA A 61 -6.048 4.903 -6.028 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -8.426 4.577 -5.453 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -8.049 3.985 -7.089 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -8.250 2.831 -5.749 1.00 0.00 H new ATOM 953 N VAL A 62 -4.870 3.850 -3.852 1.00 0.00 N ATOM 954 CA VAL A 62 -4.458 3.635 -2.478 1.00 0.00 C ATOM 955 C VAL A 62 -4.611 4.907 -1.652 1.00 0.00 C ATOM 956 O VAL A 62 -3.986 5.932 -1.933 1.00 0.00 O ATOM 957 CB VAL A 62 -2.999 3.151 -2.404 1.00 0.00 C ATOM 958 CG1 VAL A 62 -2.629 2.759 -0.980 1.00 0.00 C ATOM 959 CG2 VAL A 62 -2.776 1.990 -3.361 1.00 0.00 C ATOM 0 H VAL A 62 -4.102 4.047 -4.494 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.109 2.864 -2.066 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.349 3.973 -2.704 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.593 2.420 -0.953 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.746 3.621 -0.323 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.283 1.955 -0.643 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.739 1.659 -3.297 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.437 1.166 -3.093 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.992 2.312 -4.380 1.00 0.00 H new ATOM 969 N LYS A 63 -5.466 4.836 -0.648 1.00 0.00 N ATOM 970 CA LYS A 63 -5.667 5.932 0.276 1.00 0.00 C ATOM 971 C LYS A 63 -5.386 5.466 1.695 1.00 0.00 C ATOM 972 O LYS A 63 -6.027 4.535 2.188 1.00 0.00 O ATOM 973 CB LYS A 63 -7.097 6.448 0.151 1.00 0.00 C ATOM 974 CG LYS A 63 -7.332 7.252 -1.118 1.00 0.00 C ATOM 975 CD LYS A 63 -8.811 7.436 -1.423 1.00 0.00 C ATOM 976 CE LYS A 63 -9.473 6.117 -1.784 1.00 0.00 C ATOM 977 NZ LYS A 63 -10.883 6.300 -2.225 1.00 0.00 N ATOM 0 H LYS A 63 -6.040 4.016 -0.452 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.980 6.744 0.037 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.785 5.603 0.171 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.330 7.069 1.016 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.860 8.229 -1.018 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.851 6.750 -1.957 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.311 7.870 -0.557 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.929 8.141 -2.246 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.905 5.632 -2.578 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.447 5.451 -0.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.296 5.375 -2.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.432 6.739 -1.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.907 6.914 -3.064 1.00 0.00 H new ATOM 991 N VAL A 64 -4.416 6.099 2.337 1.00 0.00 N ATOM 992 CA VAL A 64 -4.003 5.719 3.684 1.00 0.00 C ATOM 993 C VAL A 64 -5.092 6.042 4.702 1.00 0.00 C ATOM 994 O VAL A 64 -5.784 7.054 4.581 1.00 0.00 O ATOM 995 CB VAL A 64 -2.693 6.438 4.090 1.00 0.00 C ATOM 996 CG1 VAL A 64 -2.253 6.046 5.495 1.00 0.00 C ATOM 997 CG2 VAL A 64 -1.589 6.136 3.089 1.00 0.00 C ATOM 0 H VAL A 64 -3.895 6.884 1.945 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.829 4.643 3.677 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.890 7.510 4.088 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.331 6.569 5.747 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.031 6.318 6.209 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.083 4.970 5.536 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.675 6.649 3.389 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.409 5.061 3.059 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.890 6.481 2.100 1.00 0.00 H new ATOM 1007 N VAL A 65 -5.245 5.166 5.685 1.00 0.00 N ATOM 1008 CA VAL A 65 -6.177 5.379 6.782 1.00 0.00 C ATOM 1009 C VAL A 65 -5.398 5.634 8.069 1.00 0.00 C ATOM 1010 O VAL A 65 -5.079 4.707 8.815 1.00 0.00 O ATOM 1011 CB VAL A 65 -7.126 4.177 6.981 1.00 0.00 C ATOM 1012 CG1 VAL A 65 -8.141 4.458 8.081 1.00 0.00 C ATOM 1013 CG2 VAL A 65 -7.828 3.828 5.681 1.00 0.00 C ATOM 0 H VAL A 65 -4.727 4.289 5.744 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.790 6.245 6.532 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.525 3.321 7.288 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -8.797 3.595 8.200 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.618 4.649 9.018 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.736 5.331 7.813 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.492 2.979 5.843 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.410 4.684 5.341 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.086 3.570 4.925 1.00 0.00 H new ATOM 1023 N PRO A 66 -5.026 6.895 8.316 1.00 0.00 N ATOM 1024 CA PRO A 66 -4.227 7.263 9.476 1.00 0.00 C ATOM 1025 C PRO A 66 -5.079 7.447 10.728 1.00 0.00 C ATOM 1026 O PRO A 66 -6.308 7.393 10.669 1.00 0.00 O ATOM 1027 CB PRO A 66 -3.596 8.585 9.044 1.00 0.00 C ATOM 1028 CG PRO A 66 -4.598 9.204 8.128 1.00 0.00 C ATOM 1029 CD PRO A 66 -5.365 8.070 7.492 1.00 0.00 C ATOM 0 HA PRO A 66 -3.501 6.496 9.747 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.395 9.226 9.902 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.644 8.422 8.538 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.269 9.864 8.678 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.105 9.811 7.369 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -6.438 8.263 7.497 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.072 7.925 6.452 1.00 0.00 H new ATOM 1037 N LEU A 67 -4.409 7.665 11.854 1.00 0.00 N ATOM 1038 CA LEU A 67 -5.063 7.858 13.139 1.00 0.00 C ATOM 1039 C LEU A 67 -5.921 6.656 13.540 1.00 0.00 C ATOM 1040 O LEU A 67 -6.863 6.797 14.318 1.00 0.00 O ATOM 1041 CB LEU A 67 -5.902 9.140 13.149 1.00 0.00 C ATOM 1042 CG LEU A 67 -5.112 10.454 13.124 1.00 0.00 C ATOM 1043 CD1 LEU A 67 -4.652 10.797 11.715 1.00 0.00 C ATOM 1044 CD2 LEU A 67 -5.944 11.585 13.707 1.00 0.00 C ATOM 0 H LEU A 67 -3.391 7.713 11.899 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.269 7.956 13.880 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.569 9.122 12.287 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.531 9.133 14.039 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.222 10.322 13.740 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.095 11.734 11.732 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.011 10.000 11.338 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.520 10.903 11.064 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.369 12.510 13.682 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.854 11.707 13.120 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.207 11.349 14.738 1.00 0.00 H new ATOM 1056 N GLU A 68 -5.588 5.474 13.012 1.00 0.00 N ATOM 1057 CA GLU A 68 -6.179 4.229 13.501 1.00 0.00 C ATOM 1058 C GLU A 68 -5.919 4.144 14.998 1.00 0.00 C ATOM 1059 O GLU A 68 -6.833 4.008 15.809 1.00 0.00 O ATOM 1060 CB GLU A 68 -5.566 3.025 12.772 1.00 0.00 C ATOM 1061 CG GLU A 68 -6.100 1.676 13.237 1.00 0.00 C ATOM 1062 CD GLU A 68 -7.604 1.562 13.105 1.00 0.00 C ATOM 1063 OE1 GLU A 68 -8.135 1.842 12.013 1.00 0.00 O ATOM 1064 OE2 GLU A 68 -8.269 1.198 14.101 1.00 0.00 O ATOM 0 H GLU A 68 -4.918 5.355 12.252 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.252 4.217 13.309 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.752 3.128 11.703 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.485 3.043 12.910 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.628 0.884 12.656 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.818 1.518 14.278 1.00 0.00 H new ATOM 1071 N HIS A 69 -4.651 4.252 15.346 1.00 0.00 N ATOM 1072 CA HIS A 69 -4.248 4.520 16.710 1.00 0.00 C ATOM 1073 C HIS A 69 -3.490 5.834 16.706 1.00 0.00 C ATOM 1074 O HIS A 69 -2.824 6.157 15.721 1.00 0.00 O ATOM 1075 CB HIS A 69 -3.384 3.389 17.289 1.00 0.00 C ATOM 1076 CG HIS A 69 -2.073 3.195 16.591 1.00 0.00 C ATOM 1077 ND1 HIS A 69 -0.939 3.916 16.901 1.00 0.00 N ATOM 1078 CD2 HIS A 69 -1.721 2.358 15.590 1.00 0.00 C ATOM 1079 CE1 HIS A 69 0.049 3.531 16.115 1.00 0.00 C ATOM 1080 NE2 HIS A 69 -0.398 2.585 15.312 1.00 0.00 N ATOM 0 H HIS A 69 -3.874 4.156 14.692 1.00 0.00 H new ATOM 0 HA HIS A 69 -5.129 4.582 17.349 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -3.194 3.596 18.342 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -3.948 2.457 17.243 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -2.364 1.642 15.099 1.00 0.00 H new ATOM 0 HE1 HIS A 69 1.055 3.925 16.127 1.00 0.00 H new ATOM 0 HE2 HIS A 69 0.151 2.102 14.601 1.00 0.00 H new ATOM 1089 N HIS A 70 -3.598 6.594 17.773 1.00 0.00 N ATOM 1090 CA HIS A 70 -3.001 7.920 17.817 1.00 0.00 C ATOM 1091 C HIS A 70 -1.484 7.834 17.913 1.00 0.00 C ATOM 1092 O HIS A 70 -0.937 6.913 18.522 1.00 0.00 O ATOM 1093 CB HIS A 70 -3.564 8.732 18.987 1.00 0.00 C ATOM 1094 CG HIS A 70 -5.044 8.953 18.900 1.00 0.00 C ATOM 1095 ND1 HIS A 70 -5.887 8.848 19.983 1.00 0.00 N ATOM 1096 CD2 HIS A 70 -5.829 9.276 17.845 1.00 0.00 C ATOM 1097 CE1 HIS A 70 -7.126 9.092 19.599 1.00 0.00 C ATOM 1098 NE2 HIS A 70 -7.119 9.355 18.307 1.00 0.00 N ATOM 0 H HIS A 70 -4.092 6.322 18.623 1.00 0.00 H new ATOM 0 HA HIS A 70 -3.256 8.430 16.888 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -3.335 8.217 19.920 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -3.061 9.698 19.024 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -5.501 9.441 16.829 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -7.998 9.079 20.236 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -7.938 9.580 17.743 1.00 0.00 H new ATOM 1107 N HIS A 71 -0.816 8.778 17.266 1.00 0.00 N ATOM 1108 CA HIS A 71 0.634 8.878 17.330 1.00 0.00 C ATOM 1109 C HIS A 71 1.024 9.977 18.308 1.00 0.00 C ATOM 1110 O HIS A 71 1.895 9.779 19.159 1.00 0.00 O ATOM 1111 CB HIS A 71 1.217 9.168 15.939 1.00 0.00 C ATOM 1112 CG HIS A 71 2.718 9.217 15.908 1.00 0.00 C ATOM 1113 ND1 HIS A 71 3.430 10.296 15.430 1.00 0.00 N ATOM 1114 CD2 HIS A 71 3.639 8.302 16.291 1.00 0.00 C ATOM 1115 CE1 HIS A 71 4.724 10.043 15.524 1.00 0.00 C ATOM 1116 NE2 HIS A 71 4.876 8.841 16.042 1.00 0.00 N ATOM 0 H HIS A 71 -1.260 9.491 16.687 1.00 0.00 H new ATOM 0 HA HIS A 71 1.041 7.928 17.676 1.00 0.00 H new ATOM 0 HB2 HIS A 71 0.874 8.401 15.245 1.00 0.00 H new ATOM 0 HB3 HIS A 71 0.824 10.120 15.582 1.00 0.00 H new ATOM 0 HD2 HIS A 71 3.438 7.329 16.714 1.00 0.00 H new ATOM 0 HE1 HIS A 71 5.521 10.708 15.227 1.00 0.00 H new ATOM 0 HE2 HIS A 71 5.769 8.385 16.228 1.00 0.00 H new ATOM 1125 N HIS A 72 0.364 11.131 18.173 1.00 0.00 N ATOM 1126 CA HIS A 72 0.559 12.273 19.068 1.00 0.00 C ATOM 1127 C HIS A 72 2.003 12.779 19.005 1.00 0.00 C ATOM 1128 O HIS A 72 2.356 13.562 18.130 1.00 0.00 O ATOM 1129 CB HIS A 72 0.168 11.883 20.509 1.00 0.00 C ATOM 1130 CG HIS A 72 0.058 13.034 21.470 1.00 0.00 C ATOM 1131 ND1 HIS A 72 0.636 13.028 22.726 1.00 0.00 N ATOM 1132 CD2 HIS A 72 -0.599 14.215 21.369 1.00 0.00 C ATOM 1133 CE1 HIS A 72 0.336 14.152 23.349 1.00 0.00 C ATOM 1134 NE2 HIS A 72 -0.411 14.890 22.550 1.00 0.00 N ATOM 0 H HIS A 72 -0.322 11.299 17.437 1.00 0.00 H new ATOM 0 HA HIS A 72 -0.087 13.088 18.742 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -0.788 11.360 20.481 1.00 0.00 H new ATOM 0 HB3 HIS A 72 0.906 11.179 20.892 1.00 0.00 H new ATOM 0 HD1 HIS A 72 1.205 12.274 23.111 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -1.166 14.561 20.517 1.00 0.00 H new ATOM 0 HE1 HIS A 72 0.650 14.423 24.346 1.00 0.00 H new ATOM 1143 N HIS A 73 2.823 12.278 19.915 1.00 0.00 N ATOM 1144 CA HIS A 73 4.224 12.660 20.065 1.00 0.00 C ATOM 1145 C HIS A 73 4.776 11.858 21.224 1.00 0.00 C ATOM 1146 O HIS A 73 5.601 10.963 21.058 1.00 0.00 O ATOM 1147 CB HIS A 73 4.388 14.162 20.364 1.00 0.00 C ATOM 1148 CG HIS A 73 4.862 14.983 19.204 1.00 0.00 C ATOM 1149 ND1 HIS A 73 6.173 15.006 18.783 1.00 0.00 N ATOM 1150 CD2 HIS A 73 4.196 15.834 18.389 1.00 0.00 C ATOM 1151 CE1 HIS A 73 6.291 15.834 17.763 1.00 0.00 C ATOM 1152 NE2 HIS A 73 5.106 16.349 17.505 1.00 0.00 N ATOM 0 H HIS A 73 2.527 11.574 20.591 1.00 0.00 H new ATOM 0 HA HIS A 73 4.755 12.460 19.134 1.00 0.00 H new ATOM 0 HB2 HIS A 73 3.431 14.557 20.705 1.00 0.00 H new ATOM 0 HB3 HIS A 73 5.093 14.280 21.187 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.142 16.064 18.429 1.00 0.00 H new ATOM 0 HE1 HIS A 73 7.204 16.053 17.230 1.00 0.00 H new ATOM 0 HE2 HIS A 73 4.900 17.022 16.767 1.00 0.00 H new ATOM 1161 N HIS A 74 4.269 12.193 22.398 1.00 0.00 N ATOM 1162 CA HIS A 74 4.471 11.408 23.598 1.00 0.00 C ATOM 1163 C HIS A 74 3.319 11.716 24.546 1.00 0.00 C ATOM 1164 O HIS A 74 3.535 12.437 25.538 1.00 0.00 O ATOM 1165 CB HIS A 74 5.822 11.726 24.257 1.00 0.00 C ATOM 1166 CG HIS A 74 6.202 10.771 25.353 1.00 0.00 C ATOM 1167 ND1 HIS A 74 7.170 9.803 25.203 1.00 0.00 N ATOM 1168 CD2 HIS A 74 5.746 10.648 26.623 1.00 0.00 C ATOM 1169 CE1 HIS A 74 7.288 9.123 26.327 1.00 0.00 C ATOM 1170 NE2 HIS A 74 6.437 9.617 27.207 1.00 0.00 N ATOM 1171 OXT HIS A 74 2.182 11.305 24.233 1.00 0.00 O ATOM 0 H HIS A 74 3.700 13.027 22.544 1.00 0.00 H new ATOM 0 HA HIS A 74 4.489 10.347 23.350 1.00 0.00 H new ATOM 0 HB2 HIS A 74 6.600 11.716 23.493 1.00 0.00 H new ATOM 0 HB3 HIS A 74 5.788 12.737 24.664 1.00 0.00 H new ATOM 0 HD2 HIS A 74 4.980 11.250 27.089 1.00 0.00 H new ATOM 0 HE1 HIS A 74 7.967 8.301 26.499 1.00 0.00 H new ATOM 0 HE2 HIS A 74 6.314 9.286 28.164 1.00 0.00 H new TER 1180 HIS A 74