USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 518 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 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -179:sc= -0.154 (180deg=-0.161) USER MOD Single : A 2 ASN : amide:sc= 1.11 K(o=1.1,f=-3!) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 163:sc= -0.0314 (180deg=-0.24) USER MOD Single : A 9 LYS NZ :NH3+ 169:sc=-0.00472 (180deg=-0.125) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.759 K(o=-0.76,f=-0.075) USER MOD Single : A 14 THR OG1 : rot -94:sc= 0.209 USER MOD Single : A 16 LYS NZ :NH3+ -168:sc= -0.0142 (180deg=-0.227) USER MOD Single : A 18 LYS NZ :NH3+ -179:sc= 1.32 (180deg=1.26) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.00222 USER MOD Single : A 30 GLN : amide:sc= -2.68 K(o=-2.7,f=-5.5!) USER MOD Single : A 35 HIS : no HE2:sc= -3.92! C(o=-3.9!,f=-6.8!) USER MOD Single : A 38 TYR OH : rot -74:sc= 0.0115 USER MOD Single : A 42 LYS NZ :NH3+ -155:sc= 1.2 (180deg=1.12) USER MOD Single : A 44 GLN : amide:sc= -1.29! C(o=-1.3!,f=-15!) USER MOD Single : A 47 TYR OH : rot 31:sc= 0.727 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 161:sc= 1.51 (180deg=0.971) USER MOD Single : A 56 GLN : amide:sc= -1.48! C(o=-1.5!,f=-6.3!) USER MOD Single : A 62 SER OG : rot 74:sc= 0.869 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.614 5.756 5.709 1.00 0.00 N ATOM 2 CA MET A 1 11.814 6.310 5.041 1.00 0.00 C ATOM 3 C MET A 1 11.781 6.037 3.543 1.00 0.00 C ATOM 4 O MET A 1 12.715 6.384 2.824 1.00 0.00 O ATOM 5 CB MET A 1 13.090 5.725 5.649 1.00 0.00 C ATOM 6 CG MET A 1 13.344 6.187 7.071 1.00 0.00 C ATOM 7 SD MET A 1 13.486 7.980 7.188 1.00 0.00 S ATOM 8 CE MET A 1 13.608 8.188 8.959 1.00 0.00 C ATOM 0 H1 MET A 1 10.653 5.970 6.726 1.00 0.00 H new ATOM 0 H2 MET A 1 9.760 6.183 5.298 1.00 0.00 H new ATOM 0 H3 MET A 1 10.586 4.725 5.573 1.00 0.00 H new ATOM 0 HA MET A 1 11.812 7.389 5.197 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.026 4.637 5.634 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.941 6.002 5.027 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.532 5.846 7.713 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.259 5.727 7.443 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.702 9.248 9.195 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.713 7.788 9.435 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.484 7.655 9.328 1.00 0.00 H new ATOM 18 N ASN A 2 10.707 5.421 3.069 1.00 0.00 N ATOM 19 CA ASN A 2 10.560 5.157 1.649 1.00 0.00 C ATOM 20 C ASN A 2 10.011 6.391 0.946 1.00 0.00 C ATOM 21 O ASN A 2 8.854 6.760 1.149 1.00 0.00 O ATOM 22 CB ASN A 2 9.631 3.960 1.412 1.00 0.00 C ATOM 23 CG ASN A 2 9.461 3.629 -0.061 1.00 0.00 C ATOM 24 OD1 ASN A 2 10.379 3.799 -0.861 1.00 0.00 O ATOM 25 ND2 ASN A 2 8.291 3.141 -0.425 1.00 0.00 N ATOM 0 H ASN A 2 9.930 5.097 3.645 1.00 0.00 H new ATOM 0 HA ASN A 2 11.541 4.917 1.239 1.00 0.00 H new ATOM 0 HB2 ASN A 2 10.029 3.089 1.932 1.00 0.00 H new ATOM 0 HB3 ASN A 2 8.654 4.172 1.847 1.00 0.00 H new ATOM 0 HD21 ASN A 2 8.124 2.890 -1.399 1.00 0.00 H new ATOM 0 HD22 ASN A 2 7.553 3.014 0.268 1.00 0.00 H new ATOM 32 N SER A 3 10.855 7.055 0.164 1.00 0.00 N ATOM 33 CA SER A 3 10.411 8.194 -0.626 1.00 0.00 C ATOM 34 C SER A 3 9.531 7.695 -1.765 1.00 0.00 C ATOM 35 O SER A 3 10.019 7.268 -2.818 1.00 0.00 O ATOM 36 CB SER A 3 11.605 8.993 -1.161 1.00 0.00 C ATOM 37 OG SER A 3 11.182 10.225 -1.721 1.00 0.00 O ATOM 0 H SER A 3 11.843 6.825 0.061 1.00 0.00 H new ATOM 0 HA SER A 3 9.833 8.867 0.007 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.313 9.180 -0.354 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.130 8.408 -1.916 1.00 0.00 H new ATOM 0 HG SER A 3 11.961 10.718 -2.054 1.00 0.00 H new ATOM 43 N ASP A 4 8.235 7.722 -1.526 1.00 0.00 N ATOM 44 CA ASP A 4 7.274 7.087 -2.407 1.00 0.00 C ATOM 45 C ASP A 4 6.542 8.113 -3.270 1.00 0.00 C ATOM 46 O ASP A 4 6.335 9.254 -2.849 1.00 0.00 O ATOM 47 CB ASP A 4 6.282 6.293 -1.561 1.00 0.00 C ATOM 48 CG ASP A 4 5.275 5.553 -2.397 1.00 0.00 C ATOM 49 OD1 ASP A 4 5.569 4.420 -2.813 1.00 0.00 O ATOM 50 OD2 ASP A 4 4.187 6.105 -2.628 1.00 0.00 O ATOM 0 H ASP A 4 7.819 8.184 -0.717 1.00 0.00 H new ATOM 0 HA ASP A 4 7.804 6.418 -3.085 1.00 0.00 H new ATOM 0 HB2 ASP A 4 6.827 5.582 -0.940 1.00 0.00 H new ATOM 0 HB3 ASP A 4 5.761 6.972 -0.886 1.00 0.00 H new ATOM 55 N VAL A 5 6.157 7.704 -4.476 1.00 0.00 N ATOM 56 CA VAL A 5 5.484 8.597 -5.418 1.00 0.00 C ATOM 57 C VAL A 5 4.042 8.158 -5.680 1.00 0.00 C ATOM 58 O VAL A 5 3.306 8.807 -6.424 1.00 0.00 O ATOM 59 CB VAL A 5 6.241 8.675 -6.763 1.00 0.00 C ATOM 60 CG1 VAL A 5 7.611 9.312 -6.575 1.00 0.00 C ATOM 61 CG2 VAL A 5 6.374 7.294 -7.394 1.00 0.00 C ATOM 0 H VAL A 5 6.300 6.757 -4.826 1.00 0.00 H new ATOM 0 HA VAL A 5 5.475 9.584 -4.955 1.00 0.00 H new ATOM 0 HB VAL A 5 5.661 9.303 -7.439 1.00 0.00 H new ATOM 0 HG11 VAL A 5 8.126 9.357 -7.535 1.00 0.00 H new ATOM 0 HG12 VAL A 5 7.492 10.321 -6.180 1.00 0.00 H new ATOM 0 HG13 VAL A 5 8.197 8.715 -5.876 1.00 0.00 H new ATOM 0 HG21 VAL A 5 6.910 7.376 -8.339 1.00 0.00 H new ATOM 0 HG22 VAL A 5 6.925 6.638 -6.720 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.382 6.879 -7.574 1.00 0.00 H new ATOM 71 N ILE A 6 3.640 7.063 -5.058 1.00 0.00 N ATOM 72 CA ILE A 6 2.296 6.533 -5.230 1.00 0.00 C ATOM 73 C ILE A 6 1.378 7.105 -4.157 1.00 0.00 C ATOM 74 O ILE A 6 0.178 7.245 -4.356 1.00 0.00 O ATOM 75 CB ILE A 6 2.283 4.988 -5.150 1.00 0.00 C ATOM 76 CG1 ILE A 6 3.311 4.391 -6.116 1.00 0.00 C ATOM 77 CG2 ILE A 6 0.892 4.443 -5.460 1.00 0.00 C ATOM 78 CD1 ILE A 6 3.420 2.883 -6.026 1.00 0.00 C ATOM 0 H ILE A 6 4.228 6.520 -4.426 1.00 0.00 H new ATOM 0 HA ILE A 6 1.942 6.826 -6.219 1.00 0.00 H new ATOM 0 HB ILE A 6 2.550 4.699 -4.133 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.043 4.668 -7.136 1.00 0.00 H new ATOM 0 HG13 ILE A 6 4.287 4.831 -5.912 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.905 3.355 -5.398 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.177 4.839 -4.739 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.598 4.746 -6.465 1.00 0.00 H new ATOM 0 HD11 ILE A 6 4.166 2.529 -6.738 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.718 2.599 -5.017 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.455 2.434 -6.259 1.00 0.00 H new ATOM 90 N LYS A 7 1.970 7.456 -3.024 1.00 0.00 N ATOM 91 CA LYS A 7 1.240 7.993 -1.881 1.00 0.00 C ATOM 92 C LYS A 7 0.433 9.244 -2.248 1.00 0.00 C ATOM 93 O LYS A 7 -0.559 9.562 -1.594 1.00 0.00 O ATOM 94 CB LYS A 7 2.221 8.301 -0.746 1.00 0.00 C ATOM 95 CG LYS A 7 1.559 8.463 0.612 1.00 0.00 C ATOM 96 CD LYS A 7 2.580 8.495 1.736 1.00 0.00 C ATOM 97 CE LYS A 7 3.358 9.802 1.767 1.00 0.00 C ATOM 98 NZ LYS A 7 2.488 10.959 2.115 1.00 0.00 N ATOM 0 H LYS A 7 2.975 7.376 -2.870 1.00 0.00 H new ATOM 0 HA LYS A 7 0.525 7.238 -1.553 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.957 7.499 -0.687 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.764 9.215 -0.986 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.975 9.384 0.625 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.862 7.641 0.777 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.072 8.353 2.690 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.274 7.663 1.618 1.00 0.00 H new ATOM 0 HE2 LYS A 7 4.167 9.725 2.493 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.818 9.974 0.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.080 11.763 2.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.921 11.229 1.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.854 10.694 2.896 1.00 0.00 H new ATOM 112 N GLY A 8 0.850 9.942 -3.295 1.00 0.00 N ATOM 113 CA GLY A 8 0.131 11.130 -3.723 1.00 0.00 C ATOM 114 C GLY A 8 -0.704 10.892 -4.968 1.00 0.00 C ATOM 115 O GLY A 8 -1.381 11.801 -5.458 1.00 0.00 O ATOM 0 H GLY A 8 1.670 9.710 -3.855 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.517 11.468 -2.915 1.00 0.00 H new ATOM 0 HA3 GLY A 8 0.844 11.931 -3.916 1.00 0.00 H new ATOM 119 N LYS A 9 -0.665 9.669 -5.479 1.00 0.00 N ATOM 120 CA LYS A 9 -1.360 9.327 -6.716 1.00 0.00 C ATOM 121 C LYS A 9 -2.095 7.997 -6.560 1.00 0.00 C ATOM 122 O LYS A 9 -2.468 7.366 -7.544 1.00 0.00 O ATOM 123 CB LYS A 9 -0.358 9.236 -7.874 1.00 0.00 C ATOM 124 CG LYS A 9 0.418 10.522 -8.120 1.00 0.00 C ATOM 125 CD LYS A 9 1.535 10.323 -9.133 1.00 0.00 C ATOM 126 CE LYS A 9 0.997 9.987 -10.514 1.00 0.00 C ATOM 127 NZ LYS A 9 0.228 11.113 -11.106 1.00 0.00 N ATOM 0 H LYS A 9 -0.157 8.893 -5.055 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.088 10.108 -6.935 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.348 8.431 -7.669 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.893 8.966 -8.784 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.263 11.295 -8.477 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.839 10.878 -7.180 1.00 0.00 H new ATOM 0 HD2 LYS A 9 2.139 11.229 -9.190 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.193 9.522 -8.795 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.827 9.730 -11.173 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.357 9.107 -10.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.040 10.915 -12.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.674 11.221 -10.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.779 11.991 -11.023 1.00 0.00 H new ATOM 141 N TRP A 10 -2.312 7.611 -5.310 1.00 0.00 N ATOM 142 CA TRP A 10 -2.901 6.319 -4.953 1.00 0.00 C ATOM 143 C TRP A 10 -4.176 6.016 -5.738 1.00 0.00 C ATOM 144 O TRP A 10 -4.253 5.008 -6.444 1.00 0.00 O ATOM 145 CB TRP A 10 -3.179 6.299 -3.444 1.00 0.00 C ATOM 146 CG TRP A 10 -4.021 5.148 -2.974 1.00 0.00 C ATOM 147 CD1 TRP A 10 -5.311 5.216 -2.534 1.00 0.00 C ATOM 148 CD2 TRP A 10 -3.638 3.769 -2.886 1.00 0.00 C ATOM 149 NE1 TRP A 10 -5.753 3.967 -2.176 1.00 0.00 N ATOM 150 CE2 TRP A 10 -4.748 3.062 -2.385 1.00 0.00 C ATOM 151 CE3 TRP A 10 -2.471 3.060 -3.183 1.00 0.00 C ATOM 152 CZ2 TRP A 10 -4.725 1.685 -2.175 1.00 0.00 C ATOM 153 CZ3 TRP A 10 -2.449 1.693 -2.975 1.00 0.00 C ATOM 154 CH2 TRP A 10 -3.570 1.019 -2.473 1.00 0.00 C ATOM 0 H TRP A 10 -2.083 8.190 -4.503 1.00 0.00 H new ATOM 0 HA TRP A 10 -2.187 5.538 -5.216 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -2.227 6.275 -2.914 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -3.674 7.230 -3.168 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -5.898 6.121 -2.476 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -6.681 3.749 -1.813 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -1.601 3.571 -3.568 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -5.589 1.163 -1.791 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -1.553 1.136 -3.203 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -3.520 -0.049 -2.318 1.00 0.00 H new ATOM 165 N LYS A 11 -5.159 6.897 -5.642 1.00 0.00 N ATOM 166 CA LYS A 11 -6.457 6.646 -6.247 1.00 0.00 C ATOM 167 C LYS A 11 -6.432 6.987 -7.734 1.00 0.00 C ATOM 168 O LYS A 11 -7.389 6.728 -8.464 1.00 0.00 O ATOM 169 CB LYS A 11 -7.539 7.452 -5.521 1.00 0.00 C ATOM 170 CG LYS A 11 -8.952 7.020 -5.875 1.00 0.00 C ATOM 171 CD LYS A 11 -9.995 7.820 -5.116 1.00 0.00 C ATOM 172 CE LYS A 11 -11.403 7.403 -5.508 1.00 0.00 C ATOM 173 NZ LYS A 11 -12.439 8.168 -4.766 1.00 0.00 N ATOM 0 H LYS A 11 -5.083 7.789 -5.153 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.690 5.586 -6.150 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.395 7.353 -4.445 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.419 8.508 -5.762 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.111 7.141 -6.947 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.074 5.960 -5.652 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.856 7.678 -4.044 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.859 8.883 -5.317 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.540 7.552 -6.579 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.532 6.338 -5.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.384 7.852 -5.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.326 8.006 -3.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.333 9.182 -4.969 1.00 0.00 H new ATOM 187 N GLN A 12 -5.327 7.559 -8.187 1.00 0.00 N ATOM 188 CA GLN A 12 -5.179 7.909 -9.591 1.00 0.00 C ATOM 189 C GLN A 12 -4.381 6.841 -10.326 1.00 0.00 C ATOM 190 O GLN A 12 -4.294 6.854 -11.552 1.00 0.00 O ATOM 191 CB GLN A 12 -4.494 9.270 -9.736 1.00 0.00 C ATOM 192 CG GLN A 12 -5.248 10.400 -9.053 1.00 0.00 C ATOM 193 CD GLN A 12 -6.651 10.602 -9.607 1.00 0.00 C ATOM 194 OE1 GLN A 12 -7.567 10.975 -8.874 1.00 0.00 O ATOM 195 NE2 GLN A 12 -6.823 10.391 -10.905 1.00 0.00 N ATOM 0 H GLN A 12 -4.522 7.790 -7.605 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.173 7.969 -10.034 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -3.489 9.209 -9.319 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -4.386 9.503 -10.795 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -5.312 10.193 -7.985 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -4.683 11.325 -9.165 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -6.039 10.082 -11.480 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -7.739 10.538 -11.329 1.00 0.00 H new ATOM 204 N LEU A 13 -3.797 5.922 -9.572 1.00 0.00 N ATOM 205 CA LEU A 13 -2.999 4.850 -10.152 1.00 0.00 C ATOM 206 C LEU A 13 -3.711 3.505 -10.033 1.00 0.00 C ATOM 207 O LEU A 13 -3.205 2.485 -10.501 1.00 0.00 O ATOM 208 CB LEU A 13 -1.628 4.780 -9.471 1.00 0.00 C ATOM 209 CG LEU A 13 -0.680 5.939 -9.791 1.00 0.00 C ATOM 210 CD1 LEU A 13 0.629 5.783 -9.032 1.00 0.00 C ATOM 211 CD2 LEU A 13 -0.423 6.022 -11.288 1.00 0.00 C ATOM 0 H LEU A 13 -3.860 5.896 -8.554 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.862 5.070 -11.211 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.778 4.742 -8.392 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.145 3.846 -9.759 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.153 6.868 -9.472 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.290 6.616 -9.272 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.430 5.775 -7.960 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.107 4.846 -9.319 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.253 6.852 -11.496 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.028 5.091 -11.632 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.366 6.183 -11.811 1.00 0.00 H new ATOM 223 N THR A 14 -4.889 3.522 -9.419 1.00 0.00 N ATOM 224 CA THR A 14 -5.673 2.314 -9.185 1.00 0.00 C ATOM 225 C THR A 14 -5.890 1.504 -10.462 1.00 0.00 C ATOM 226 O THR A 14 -5.727 0.284 -10.462 1.00 0.00 O ATOM 227 CB THR A 14 -7.038 2.671 -8.570 1.00 0.00 C ATOM 228 OG1 THR A 14 -7.624 3.765 -9.290 1.00 0.00 O ATOM 229 CG2 THR A 14 -6.892 3.043 -7.101 1.00 0.00 C ATOM 0 H THR A 14 -5.328 4.374 -9.069 1.00 0.00 H new ATOM 0 HA THR A 14 -5.101 1.698 -8.491 1.00 0.00 H new ATOM 0 HB THR A 14 -7.686 1.797 -8.642 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.400 4.608 -8.843 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.870 3.291 -6.690 1.00 0.00 H new ATOM 0 HG22 THR A 14 -6.471 2.201 -6.552 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.230 3.904 -7.008 1.00 0.00 H new ATOM 237 N GLY A 15 -6.244 2.184 -11.547 1.00 0.00 N ATOM 238 CA GLY A 15 -6.496 1.504 -12.803 1.00 0.00 C ATOM 239 C GLY A 15 -5.271 0.787 -13.334 1.00 0.00 C ATOM 240 O GLY A 15 -5.348 -0.375 -13.736 1.00 0.00 O ATOM 0 H GLY A 15 -6.361 3.197 -11.578 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.303 0.784 -12.667 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -6.837 2.229 -13.542 1.00 0.00 H new ATOM 244 N LYS A 16 -4.135 1.472 -13.318 1.00 0.00 N ATOM 245 CA LYS A 16 -2.892 0.904 -13.822 1.00 0.00 C ATOM 246 C LYS A 16 -2.424 -0.242 -12.927 1.00 0.00 C ATOM 247 O LYS A 16 -1.910 -1.252 -13.409 1.00 0.00 O ATOM 248 CB LYS A 16 -1.814 1.987 -13.911 1.00 0.00 C ATOM 249 CG LYS A 16 -0.547 1.537 -14.621 1.00 0.00 C ATOM 250 CD LYS A 16 0.452 2.674 -14.765 1.00 0.00 C ATOM 251 CE LYS A 16 -0.103 3.803 -15.621 1.00 0.00 C ATOM 252 NZ LYS A 16 -0.442 3.343 -16.995 1.00 0.00 N ATOM 0 H LYS A 16 -4.049 2.423 -12.961 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.072 0.507 -14.821 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.224 2.852 -14.433 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.558 2.315 -12.903 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.089 0.719 -14.065 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.801 1.149 -15.607 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.711 3.058 -13.778 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.372 2.296 -15.212 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.994 4.215 -15.146 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.629 4.609 -15.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.621 4.168 -17.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.351 2.793 -17.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.293 2.746 -16.961 1.00 0.00 H new ATOM 266 N ILE A 17 -2.611 -0.080 -11.619 1.00 0.00 N ATOM 267 CA ILE A 17 -2.266 -1.124 -10.662 1.00 0.00 C ATOM 268 C ILE A 17 -3.143 -2.358 -10.879 1.00 0.00 C ATOM 269 O ILE A 17 -2.647 -3.490 -10.904 1.00 0.00 O ATOM 270 CB ILE A 17 -2.418 -0.629 -9.205 1.00 0.00 C ATOM 271 CG1 ILE A 17 -1.447 0.522 -8.926 1.00 0.00 C ATOM 272 CG2 ILE A 17 -2.187 -1.766 -8.222 1.00 0.00 C ATOM 273 CD1 ILE A 17 -1.584 1.111 -7.537 1.00 0.00 C ATOM 0 H ILE A 17 -3.000 0.765 -11.199 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.221 -1.388 -10.827 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.437 -0.265 -9.074 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.426 0.165 -9.061 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.609 1.309 -9.662 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.299 -1.395 -7.203 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.916 -2.556 -8.402 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.181 -2.163 -8.355 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.865 1.920 -7.412 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -2.594 1.499 -7.404 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -1.392 0.338 -6.793 1.00 0.00 H new ATOM 285 N LYS A 18 -4.440 -2.123 -11.056 1.00 0.00 N ATOM 286 CA LYS A 18 -5.395 -3.199 -11.297 1.00 0.00 C ATOM 287 C LYS A 18 -5.012 -4.000 -12.533 1.00 0.00 C ATOM 288 O LYS A 18 -5.033 -5.226 -12.517 1.00 0.00 O ATOM 289 CB LYS A 18 -6.811 -2.636 -11.465 1.00 0.00 C ATOM 290 CG LYS A 18 -7.855 -3.702 -11.764 1.00 0.00 C ATOM 291 CD LYS A 18 -9.233 -3.097 -11.980 1.00 0.00 C ATOM 292 CE LYS A 18 -10.274 -4.175 -12.239 1.00 0.00 C ATOM 293 NZ LYS A 18 -11.620 -3.601 -12.506 1.00 0.00 N ATOM 0 H LYS A 18 -4.855 -1.191 -11.037 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.375 -3.861 -10.431 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.094 -2.107 -10.555 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.809 -1.904 -12.272 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.560 -4.261 -12.652 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.895 -4.413 -10.939 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.519 -2.515 -11.104 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.202 -2.408 -12.824 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.964 -4.781 -13.090 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.329 -4.840 -11.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -12.302 -4.371 -12.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.922 -3.030 -11.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.579 -3.000 -13.354 1.00 0.00 H new ATOM 307 N GLU A 19 -4.642 -3.303 -13.596 1.00 0.00 N ATOM 308 CA GLU A 19 -4.302 -3.939 -14.849 1.00 0.00 C ATOM 309 C GLU A 19 -3.017 -4.757 -14.752 1.00 0.00 C ATOM 310 O GLU A 19 -2.844 -5.741 -15.477 1.00 0.00 O ATOM 311 CB GLU A 19 -4.170 -2.878 -15.936 1.00 0.00 C ATOM 312 CG GLU A 19 -5.494 -2.248 -16.324 1.00 0.00 C ATOM 313 CD GLU A 19 -6.524 -3.285 -16.715 1.00 0.00 C ATOM 314 OE1 GLU A 19 -6.448 -3.805 -17.847 1.00 0.00 O ATOM 315 OE2 GLU A 19 -7.407 -3.593 -15.888 1.00 0.00 O ATOM 0 H GLU A 19 -4.571 -2.286 -13.610 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.104 -4.633 -15.100 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.491 -2.098 -15.592 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.717 -3.327 -16.820 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.873 -1.658 -15.489 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.338 -1.561 -17.156 1.00 0.00 H new ATOM 322 N ARG A 20 -2.117 -4.362 -13.863 1.00 0.00 N ATOM 323 CA ARG A 20 -0.842 -5.052 -13.730 1.00 0.00 C ATOM 324 C ARG A 20 -1.010 -6.418 -13.072 1.00 0.00 C ATOM 325 O ARG A 20 -0.579 -7.433 -13.616 1.00 0.00 O ATOM 326 CB ARG A 20 0.167 -4.212 -12.942 1.00 0.00 C ATOM 327 CG ARG A 20 1.480 -4.941 -12.697 1.00 0.00 C ATOM 328 CD ARG A 20 2.547 -4.023 -12.129 1.00 0.00 C ATOM 329 NE ARG A 20 2.983 -3.022 -13.102 1.00 0.00 N ATOM 330 CZ ARG A 20 4.260 -2.775 -13.391 1.00 0.00 C ATOM 331 NH1 ARG A 20 5.225 -3.493 -12.827 1.00 0.00 N ATOM 332 NH2 ARG A 20 4.566 -1.827 -14.270 1.00 0.00 N ATOM 0 H ARG A 20 -2.244 -3.574 -13.228 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.456 -5.202 -14.738 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.366 -3.288 -13.485 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.271 -3.931 -11.984 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.311 -5.769 -12.008 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.835 -5.372 -13.633 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.159 -3.522 -11.242 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.404 -4.617 -11.811 1.00 0.00 H new ATOM 0 HE ARG A 20 2.268 -2.481 -13.588 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.990 -4.237 -12.170 1.00 0.00 H new ATOM 0 HH12 ARG A 20 6.201 -3.301 -13.051 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.824 -1.291 -14.721 1.00 0.00 H new ATOM 0 HH22 ARG A 20 5.542 -1.635 -14.494 1.00 0.00 H new ATOM 346 N TRP A 21 -1.641 -6.449 -11.908 1.00 0.00 N ATOM 347 CA TRP A 21 -1.740 -7.689 -11.152 1.00 0.00 C ATOM 348 C TRP A 21 -3.078 -8.391 -11.375 1.00 0.00 C ATOM 349 O TRP A 21 -3.218 -9.572 -11.073 1.00 0.00 O ATOM 350 CB TRP A 21 -1.473 -7.434 -9.668 1.00 0.00 C ATOM 351 CG TRP A 21 -0.028 -7.126 -9.395 1.00 0.00 C ATOM 352 CD1 TRP A 21 1.026 -7.973 -9.576 1.00 0.00 C ATOM 353 CD2 TRP A 21 0.525 -5.900 -8.898 1.00 0.00 C ATOM 354 NE1 TRP A 21 2.199 -7.352 -9.226 1.00 0.00 N ATOM 355 CE2 TRP A 21 1.919 -6.081 -8.805 1.00 0.00 C ATOM 356 CE3 TRP A 21 -0.017 -4.668 -8.522 1.00 0.00 C ATOM 357 CZ2 TRP A 21 2.772 -5.080 -8.352 1.00 0.00 C ATOM 358 CZ3 TRP A 21 0.835 -3.675 -8.071 1.00 0.00 C ATOM 359 CH2 TRP A 21 2.216 -3.886 -7.990 1.00 0.00 C ATOM 0 H TRP A 21 -2.087 -5.642 -11.471 1.00 0.00 H new ATOM 0 HA TRP A 21 -0.971 -8.367 -11.522 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -2.090 -6.603 -9.327 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -1.771 -8.310 -9.091 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.949 -8.986 -9.942 1.00 0.00 H new ATOM 0 HE1 TRP A 21 3.128 -7.770 -9.272 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -1.081 -4.494 -8.582 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 3.838 -5.241 -8.289 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 0.427 -2.720 -7.776 1.00 0.00 H new ATOM 0 HH2 TRP A 21 2.854 -3.090 -7.635 1.00 0.00 H new ATOM 370 N GLY A 22 -4.058 -7.664 -11.893 1.00 0.00 N ATOM 371 CA GLY A 22 -5.299 -8.284 -12.335 1.00 0.00 C ATOM 372 C GLY A 22 -6.281 -8.592 -11.217 1.00 0.00 C ATOM 373 O GLY A 22 -7.442 -8.182 -11.276 1.00 0.00 O ATOM 0 H GLY A 22 -4.019 -6.652 -12.017 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.783 -7.625 -13.056 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -5.062 -9.210 -12.859 1.00 0.00 H new ATOM 377 N ASP A 23 -5.824 -9.319 -10.205 1.00 0.00 N ATOM 378 CA ASP A 23 -6.709 -9.801 -9.145 1.00 0.00 C ATOM 379 C ASP A 23 -7.085 -8.682 -8.177 1.00 0.00 C ATOM 380 O ASP A 23 -8.054 -8.797 -7.425 1.00 0.00 O ATOM 381 CB ASP A 23 -6.046 -10.951 -8.385 1.00 0.00 C ATOM 382 CG ASP A 23 -7.041 -11.769 -7.589 1.00 0.00 C ATOM 383 OD1 ASP A 23 -7.674 -12.671 -8.176 1.00 0.00 O ATOM 384 OD2 ASP A 23 -7.193 -11.523 -6.378 1.00 0.00 O ATOM 0 H ASP A 23 -4.847 -9.589 -10.093 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.625 -10.160 -9.615 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.530 -11.600 -9.092 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.289 -10.549 -7.711 1.00 0.00 H new ATOM 389 N LEU A 24 -6.315 -7.604 -8.198 1.00 0.00 N ATOM 390 CA LEU A 24 -6.605 -6.444 -7.364 1.00 0.00 C ATOM 391 C LEU A 24 -7.863 -5.746 -7.864 1.00 0.00 C ATOM 392 O LEU A 24 -7.931 -5.323 -9.018 1.00 0.00 O ATOM 393 CB LEU A 24 -5.422 -5.473 -7.362 1.00 0.00 C ATOM 394 CG LEU A 24 -4.135 -6.015 -6.737 1.00 0.00 C ATOM 395 CD1 LEU A 24 -3.015 -5.000 -6.865 1.00 0.00 C ATOM 396 CD2 LEU A 24 -4.357 -6.367 -5.275 1.00 0.00 C ATOM 0 H LEU A 24 -5.485 -7.507 -8.783 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.771 -6.782 -6.341 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.212 -5.180 -8.390 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.715 -4.570 -6.826 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.850 -6.920 -7.273 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.107 -5.402 -6.415 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.835 -4.788 -7.919 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.297 -4.080 -6.353 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.430 -6.751 -4.848 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.666 -5.476 -4.729 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.134 -7.127 -5.198 1.00 0.00 H new ATOM 408 N THR A 25 -8.859 -5.639 -6.999 1.00 0.00 N ATOM 409 CA THR A 25 -10.139 -5.073 -7.386 1.00 0.00 C ATOM 410 C THR A 25 -10.146 -3.560 -7.206 1.00 0.00 C ATOM 411 O THR A 25 -9.238 -2.990 -6.599 1.00 0.00 O ATOM 412 CB THR A 25 -11.291 -5.687 -6.568 1.00 0.00 C ATOM 413 OG1 THR A 25 -11.142 -5.357 -5.181 1.00 0.00 O ATOM 414 CG2 THR A 25 -11.325 -7.200 -6.731 1.00 0.00 C ATOM 0 H THR A 25 -8.805 -5.937 -6.025 1.00 0.00 H new ATOM 0 HA THR A 25 -10.288 -5.309 -8.440 1.00 0.00 H new ATOM 0 HB THR A 25 -12.229 -5.274 -6.940 1.00 0.00 H new ATOM 0 HG1 THR A 25 -11.880 -5.750 -4.670 1.00 0.00 H new ATOM 0 HG21 THR A 25 -12.147 -7.611 -6.144 1.00 0.00 H new ATOM 0 HG22 THR A 25 -11.470 -7.450 -7.782 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.383 -7.625 -6.384 1.00 0.00 H new ATOM 422 N ASP A 26 -11.182 -2.916 -7.728 1.00 0.00 N ATOM 423 CA ASP A 26 -11.324 -1.467 -7.617 1.00 0.00 C ATOM 424 C ASP A 26 -11.560 -1.067 -6.168 1.00 0.00 C ATOM 425 O ASP A 26 -11.187 0.025 -5.746 1.00 0.00 O ATOM 426 CB ASP A 26 -12.485 -0.969 -8.483 1.00 0.00 C ATOM 427 CG ASP A 26 -12.304 -1.299 -9.949 1.00 0.00 C ATOM 428 OD1 ASP A 26 -12.654 -2.428 -10.352 1.00 0.00 O ATOM 429 OD2 ASP A 26 -11.811 -0.435 -10.705 1.00 0.00 O ATOM 0 H ASP A 26 -11.939 -3.375 -8.234 1.00 0.00 H new ATOM 0 HA ASP A 26 -10.400 -1.009 -7.969 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -13.415 -1.413 -8.127 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -12.582 0.110 -8.367 1.00 0.00 H new ATOM 434 N ASP A 27 -12.173 -1.965 -5.409 1.00 0.00 N ATOM 435 CA ASP A 27 -12.493 -1.700 -4.010 1.00 0.00 C ATOM 436 C ASP A 27 -11.301 -2.003 -3.114 1.00 0.00 C ATOM 437 O ASP A 27 -11.085 -1.337 -2.098 1.00 0.00 O ATOM 438 CB ASP A 27 -13.696 -2.537 -3.566 1.00 0.00 C ATOM 439 CG ASP A 27 -14.969 -2.180 -4.309 1.00 0.00 C ATOM 440 OD1 ASP A 27 -15.151 -2.657 -5.451 1.00 0.00 O ATOM 441 OD2 ASP A 27 -15.792 -1.419 -3.754 1.00 0.00 O ATOM 0 H ASP A 27 -12.460 -2.887 -5.738 1.00 0.00 H new ATOM 0 HA ASP A 27 -12.741 -0.642 -3.919 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -13.475 -3.593 -3.721 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -13.854 -2.398 -2.497 1.00 0.00 H new ATOM 446 N ASP A 28 -10.524 -3.008 -3.496 1.00 0.00 N ATOM 447 CA ASP A 28 -9.357 -3.420 -2.721 1.00 0.00 C ATOM 448 C ASP A 28 -8.273 -2.351 -2.782 1.00 0.00 C ATOM 449 O ASP A 28 -7.480 -2.197 -1.854 1.00 0.00 O ATOM 450 CB ASP A 28 -8.816 -4.752 -3.253 1.00 0.00 C ATOM 451 CG ASP A 28 -7.759 -5.359 -2.354 1.00 0.00 C ATOM 452 OD1 ASP A 28 -7.952 -5.354 -1.117 1.00 0.00 O ATOM 453 OD2 ASP A 28 -6.754 -5.881 -2.878 1.00 0.00 O ATOM 0 H ASP A 28 -10.680 -3.556 -4.342 1.00 0.00 H new ATOM 0 HA ASP A 28 -9.657 -3.550 -1.681 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.641 -5.456 -3.362 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -8.396 -4.597 -4.247 1.00 0.00 H new ATOM 458 N LEU A 29 -8.267 -1.594 -3.873 1.00 0.00 N ATOM 459 CA LEU A 29 -7.286 -0.535 -4.077 1.00 0.00 C ATOM 460 C LEU A 29 -7.802 0.807 -3.563 1.00 0.00 C ATOM 461 O LEU A 29 -7.352 1.862 -4.000 1.00 0.00 O ATOM 462 CB LEU A 29 -6.935 -0.427 -5.563 1.00 0.00 C ATOM 463 CG LEU A 29 -6.267 -1.668 -6.160 1.00 0.00 C ATOM 464 CD1 LEU A 29 -6.035 -1.480 -7.649 1.00 0.00 C ATOM 465 CD2 LEU A 29 -4.953 -1.960 -5.449 1.00 0.00 C ATOM 0 H LEU A 29 -8.937 -1.696 -4.636 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.390 -0.791 -3.511 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.847 -0.219 -6.122 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.273 0.427 -5.704 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.932 -2.520 -6.018 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.559 -2.371 -8.058 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.990 -1.317 -8.148 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.389 -0.617 -7.810 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.492 -2.846 -5.886 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.282 -1.108 -5.561 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.143 -2.135 -4.390 1.00 0.00 H new ATOM 477 N GLN A 30 -8.746 0.766 -2.634 1.00 0.00 N ATOM 478 CA GLN A 30 -9.259 1.984 -2.021 1.00 0.00 C ATOM 479 C GLN A 30 -8.848 2.053 -0.556 1.00 0.00 C ATOM 480 O GLN A 30 -8.645 1.017 0.082 1.00 0.00 O ATOM 481 CB GLN A 30 -10.785 2.056 -2.131 1.00 0.00 C ATOM 482 CG GLN A 30 -11.305 2.176 -3.554 1.00 0.00 C ATOM 483 CD GLN A 30 -10.822 3.432 -4.258 1.00 0.00 C ATOM 484 OE1 GLN A 30 -11.456 4.483 -4.183 1.00 0.00 O ATOM 485 NE2 GLN A 30 -9.700 3.331 -4.953 1.00 0.00 N ATOM 0 H GLN A 30 -9.172 -0.094 -2.289 1.00 0.00 H new ATOM 0 HA GLN A 30 -8.832 2.832 -2.556 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -11.213 1.164 -1.674 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -11.139 2.910 -1.554 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -10.990 1.302 -4.125 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -12.395 2.171 -3.538 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -9.202 2.442 -4.991 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -9.333 4.143 -5.450 1.00 0.00 H new ATOM 494 N ALA A 31 -8.729 3.281 -0.042 1.00 0.00 N ATOM 495 CA ALA A 31 -8.406 3.534 1.365 1.00 0.00 C ATOM 496 C ALA A 31 -6.993 3.088 1.724 1.00 0.00 C ATOM 497 O ALA A 31 -6.767 1.918 2.032 1.00 0.00 O ATOM 498 CB ALA A 31 -9.410 2.854 2.281 1.00 0.00 C ATOM 0 H ALA A 31 -8.855 4.131 -0.592 1.00 0.00 H new ATOM 0 HA ALA A 31 -8.460 4.613 1.509 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.150 3.056 3.320 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.409 3.239 2.076 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.393 1.778 2.105 1.00 0.00 H new ATOM 504 N ALA A 32 -6.055 4.028 1.696 1.00 0.00 N ATOM 505 CA ALA A 32 -4.669 3.746 2.050 1.00 0.00 C ATOM 506 C ALA A 32 -3.846 5.020 2.069 1.00 0.00 C ATOM 507 O ALA A 32 -4.343 6.096 1.735 1.00 0.00 O ATOM 508 CB ALA A 32 -4.048 2.762 1.071 1.00 0.00 C ATOM 0 H ALA A 32 -6.231 4.997 1.430 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.669 3.305 3.047 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.014 2.568 1.357 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.610 1.828 1.087 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.074 3.183 0.066 1.00 0.00 H new ATOM 514 N ASP A 33 -2.592 4.894 2.478 1.00 0.00 N ATOM 515 CA ASP A 33 -1.644 5.989 2.365 1.00 0.00 C ATOM 516 C ASP A 33 -1.256 6.146 0.907 1.00 0.00 C ATOM 517 O ASP A 33 -1.321 7.231 0.338 1.00 0.00 O ATOM 518 CB ASP A 33 -0.376 5.709 3.176 1.00 0.00 C ATOM 519 CG ASP A 33 -0.653 5.144 4.549 1.00 0.00 C ATOM 520 OD1 ASP A 33 -0.815 3.911 4.656 1.00 0.00 O ATOM 521 OD2 ASP A 33 -0.697 5.920 5.523 1.00 0.00 O ATOM 0 H ASP A 33 -2.209 4.044 2.891 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.113 6.895 2.749 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.252 5.010 2.624 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.191 6.634 3.280 1.00 0.00 H new ATOM 526 N GLY A 34 -0.866 5.027 0.307 1.00 0.00 N ATOM 527 CA GLY A 34 -0.416 5.027 -1.066 1.00 0.00 C ATOM 528 C GLY A 34 0.997 4.500 -1.191 1.00 0.00 C ATOM 529 O GLY A 34 1.378 3.988 -2.236 1.00 0.00 O ATOM 0 H GLY A 34 -0.855 4.111 0.756 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.087 4.416 -1.669 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.463 6.040 -1.465 1.00 0.00 H new ATOM 533 N HIS A 35 1.760 4.611 -0.105 1.00 0.00 N ATOM 534 CA HIS A 35 3.166 4.201 -0.098 1.00 0.00 C ATOM 535 C HIS A 35 3.326 2.731 -0.494 1.00 0.00 C ATOM 536 O HIS A 35 2.519 1.881 -0.102 1.00 0.00 O ATOM 537 CB HIS A 35 3.815 4.474 1.274 1.00 0.00 C ATOM 538 CG HIS A 35 3.311 3.622 2.407 1.00 0.00 C ATOM 539 ND1 HIS A 35 4.147 3.035 3.327 1.00 0.00 N ATOM 540 CD2 HIS A 35 2.054 3.283 2.783 1.00 0.00 C ATOM 541 CE1 HIS A 35 3.434 2.371 4.213 1.00 0.00 C ATOM 542 NE2 HIS A 35 2.160 2.505 3.908 1.00 0.00 N ATOM 0 H HIS A 35 1.428 4.983 0.785 1.00 0.00 H new ATOM 0 HA HIS A 35 3.685 4.802 -0.845 1.00 0.00 H new ATOM 0 HB2 HIS A 35 4.891 4.328 1.183 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.656 5.521 1.531 1.00 0.00 H new ATOM 0 HD1 HIS A 35 5.165 3.103 3.324 1.00 0.00 H new ATOM 0 HD2 HIS A 35 1.138 3.572 2.289 1.00 0.00 H new ATOM 0 HE1 HIS A 35 3.828 1.811 5.049 1.00 0.00 H new ATOM 551 N ALA A 36 4.375 2.464 -1.268 1.00 0.00 N ATOM 552 CA ALA A 36 4.670 1.141 -1.830 1.00 0.00 C ATOM 553 C ALA A 36 4.523 -0.003 -0.827 1.00 0.00 C ATOM 554 O ALA A 36 4.055 -1.087 -1.185 1.00 0.00 O ATOM 555 CB ALA A 36 6.079 1.139 -2.404 1.00 0.00 C ATOM 0 H ALA A 36 5.060 3.173 -1.530 1.00 0.00 H new ATOM 0 HA ALA A 36 3.929 0.962 -2.609 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.300 0.157 -2.822 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.153 1.892 -3.188 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.794 1.366 -1.614 1.00 0.00 H new ATOM 561 N GLU A 37 4.925 0.226 0.420 1.00 0.00 N ATOM 562 CA GLU A 37 4.872 -0.816 1.446 1.00 0.00 C ATOM 563 C GLU A 37 3.440 -1.319 1.654 1.00 0.00 C ATOM 564 O GLU A 37 3.229 -2.458 2.069 1.00 0.00 O ATOM 565 CB GLU A 37 5.441 -0.319 2.783 1.00 0.00 C ATOM 566 CG GLU A 37 6.809 0.338 2.677 1.00 0.00 C ATOM 567 CD GLU A 37 6.716 1.828 2.433 1.00 0.00 C ATOM 568 OE1 GLU A 37 6.474 2.233 1.282 1.00 0.00 O ATOM 569 OE2 GLU A 37 6.840 2.600 3.405 1.00 0.00 O ATOM 0 H GLU A 37 5.290 1.121 0.746 1.00 0.00 H new ATOM 0 HA GLU A 37 5.488 -1.642 1.090 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.742 0.394 3.219 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.508 -1.162 3.471 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.368 0.157 3.595 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.370 -0.126 1.866 1.00 0.00 H new ATOM 576 N TYR A 38 2.458 -0.474 1.345 1.00 0.00 N ATOM 577 CA TYR A 38 1.055 -0.850 1.499 1.00 0.00 C ATOM 578 C TYR A 38 0.653 -1.813 0.387 1.00 0.00 C ATOM 579 O TYR A 38 -0.150 -2.723 0.598 1.00 0.00 O ATOM 580 CB TYR A 38 0.152 0.389 1.480 1.00 0.00 C ATOM 581 CG TYR A 38 -1.247 0.143 2.013 1.00 0.00 C ATOM 582 CD1 TYR A 38 -2.259 -0.343 1.190 1.00 0.00 C ATOM 583 CD2 TYR A 38 -1.554 0.403 3.343 1.00 0.00 C ATOM 584 CE1 TYR A 38 -3.535 -0.562 1.682 1.00 0.00 C ATOM 585 CE2 TYR A 38 -2.826 0.187 3.840 1.00 0.00 C ATOM 586 CZ TYR A 38 -3.811 -0.294 3.005 1.00 0.00 C ATOM 587 OH TYR A 38 -5.077 -0.511 3.496 1.00 0.00 O ATOM 0 H TYR A 38 2.607 0.470 0.989 1.00 0.00 H new ATOM 0 HA TYR A 38 0.932 -1.344 2.463 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.621 1.176 2.070 1.00 0.00 H new ATOM 0 HB3 TYR A 38 0.080 0.757 0.457 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.046 -0.552 0.152 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.785 0.781 4.001 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -4.310 -0.941 1.032 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -3.046 0.394 4.877 1.00 0.00 H new ATOM 0 HH TYR A 38 -5.680 0.189 3.168 1.00 0.00 H new ATOM 597 N LEU A 39 1.232 -1.614 -0.797 1.00 0.00 N ATOM 598 CA LEU A 39 0.986 -2.501 -1.926 1.00 0.00 C ATOM 599 C LEU A 39 1.543 -3.882 -1.629 1.00 0.00 C ATOM 600 O LEU A 39 0.936 -4.889 -1.977 1.00 0.00 O ATOM 601 CB LEU A 39 1.606 -1.961 -3.223 1.00 0.00 C ATOM 602 CG LEU A 39 0.834 -0.833 -3.918 1.00 0.00 C ATOM 603 CD1 LEU A 39 0.924 0.464 -3.130 1.00 0.00 C ATOM 604 CD2 LEU A 39 1.348 -0.635 -5.335 1.00 0.00 C ATOM 0 H LEU A 39 1.873 -0.846 -0.996 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.093 -2.560 -2.071 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.611 -1.603 -3.000 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.711 -2.789 -3.924 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.216 -1.122 -3.964 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.367 1.244 -3.649 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.502 0.316 -2.136 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.968 0.763 -3.040 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.790 0.169 -5.815 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.406 -0.375 -5.305 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.217 -1.557 -5.902 1.00 0.00 H new ATOM 616 N VAL A 40 2.697 -3.916 -0.967 1.00 0.00 N ATOM 617 CA VAL A 40 3.306 -5.174 -0.557 1.00 0.00 C ATOM 618 C VAL A 40 2.333 -5.970 0.310 1.00 0.00 C ATOM 619 O VAL A 40 2.127 -7.163 0.088 1.00 0.00 O ATOM 620 CB VAL A 40 4.620 -4.940 0.220 1.00 0.00 C ATOM 621 CG1 VAL A 40 5.269 -6.263 0.603 1.00 0.00 C ATOM 622 CG2 VAL A 40 5.582 -4.091 -0.602 1.00 0.00 C ATOM 0 H VAL A 40 3.228 -3.085 -0.704 1.00 0.00 H new ATOM 0 HA VAL A 40 3.540 -5.739 -1.460 1.00 0.00 H new ATOM 0 HB VAL A 40 4.380 -4.403 1.138 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.193 -6.071 1.149 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.587 -6.834 1.233 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.493 -6.833 -0.299 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.503 -3.936 -0.039 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.810 -4.602 -1.537 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.122 -3.127 -0.818 1.00 0.00 H new ATOM 632 N GLY A 41 1.720 -5.292 1.275 1.00 0.00 N ATOM 633 CA GLY A 41 0.729 -5.929 2.122 1.00 0.00 C ATOM 634 C GLY A 41 -0.443 -6.464 1.322 1.00 0.00 C ATOM 635 O GLY A 41 -0.868 -7.605 1.509 1.00 0.00 O ATOM 0 H GLY A 41 1.893 -4.309 1.486 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.195 -6.746 2.673 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.368 -5.212 2.859 1.00 0.00 H new ATOM 639 N LYS A 42 -0.950 -5.639 0.411 1.00 0.00 N ATOM 640 CA LYS A 42 -2.060 -6.031 -0.452 1.00 0.00 C ATOM 641 C LYS A 42 -1.700 -7.241 -1.306 1.00 0.00 C ATOM 642 O LYS A 42 -2.495 -8.167 -1.445 1.00 0.00 O ATOM 643 CB LYS A 42 -2.482 -4.863 -1.347 1.00 0.00 C ATOM 644 CG LYS A 42 -3.338 -3.829 -0.635 1.00 0.00 C ATOM 645 CD LYS A 42 -4.647 -4.441 -0.170 1.00 0.00 C ATOM 646 CE LYS A 42 -5.558 -3.411 0.467 1.00 0.00 C ATOM 647 NZ LYS A 42 -6.851 -4.012 0.872 1.00 0.00 N ATOM 0 H LYS A 42 -0.608 -4.691 0.251 1.00 0.00 H new ATOM 0 HA LYS A 42 -2.896 -6.307 0.190 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.589 -4.376 -1.739 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -3.034 -5.253 -2.202 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.795 -3.427 0.221 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.540 -2.993 -1.305 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.155 -4.900 -1.018 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.442 -5.236 0.546 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.067 -2.978 1.339 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.737 -2.597 -0.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.583 -3.274 0.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.124 -4.744 0.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.754 -4.441 1.815 1.00 0.00 H new ATOM 661 N LEU A 43 -0.498 -7.239 -1.865 1.00 0.00 N ATOM 662 CA LEU A 43 -0.042 -8.336 -2.711 1.00 0.00 C ATOM 663 C LEU A 43 0.084 -9.630 -1.915 1.00 0.00 C ATOM 664 O LEU A 43 -0.147 -10.718 -2.445 1.00 0.00 O ATOM 665 CB LEU A 43 1.294 -7.981 -3.362 1.00 0.00 C ATOM 666 CG LEU A 43 1.246 -6.785 -4.315 1.00 0.00 C ATOM 667 CD1 LEU A 43 2.638 -6.429 -4.804 1.00 0.00 C ATOM 668 CD2 LEU A 43 0.329 -7.079 -5.491 1.00 0.00 C ATOM 0 H LEU A 43 0.182 -6.488 -1.748 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.786 -8.493 -3.492 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.021 -7.773 -2.577 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.657 -8.850 -3.910 1.00 0.00 H new ATOM 0 HG LEU A 43 0.847 -5.930 -3.769 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.579 -5.576 -5.480 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.269 -6.174 -3.952 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.067 -7.281 -5.331 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.306 -6.218 -6.159 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.700 -7.949 -6.033 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.678 -7.281 -5.126 1.00 0.00 H new ATOM 680 N GLN A 44 0.437 -9.512 -0.640 1.00 0.00 N ATOM 681 CA GLN A 44 0.556 -10.681 0.226 1.00 0.00 C ATOM 682 C GLN A 44 -0.820 -11.230 0.586 1.00 0.00 C ATOM 683 O GLN A 44 -1.013 -12.442 0.684 1.00 0.00 O ATOM 684 CB GLN A 44 1.323 -10.345 1.508 1.00 0.00 C ATOM 685 CG GLN A 44 2.766 -9.907 1.290 1.00 0.00 C ATOM 686 CD GLN A 44 3.604 -10.923 0.530 1.00 0.00 C ATOM 687 OE1 GLN A 44 3.119 -11.627 -0.354 1.00 0.00 O ATOM 688 NE2 GLN A 44 4.868 -11.024 0.893 1.00 0.00 N ATOM 0 H GLN A 44 0.645 -8.624 -0.184 1.00 0.00 H new ATOM 0 HA GLN A 44 1.111 -11.440 -0.326 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.793 -9.552 2.035 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.317 -11.220 2.158 1.00 0.00 H new ATOM 0 HG2 GLN A 44 2.772 -8.963 0.744 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.230 -9.718 2.258 1.00 0.00 H new ATOM 0 HE21 GLN A 44 5.236 -10.423 1.631 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.477 -11.703 0.436 1.00 0.00 H new ATOM 697 N GLU A 45 -1.773 -10.333 0.792 1.00 0.00 N ATOM 698 CA GLU A 45 -3.132 -10.733 1.121 1.00 0.00 C ATOM 699 C GLU A 45 -3.848 -11.267 -0.115 1.00 0.00 C ATOM 700 O GLU A 45 -4.647 -12.196 -0.028 1.00 0.00 O ATOM 701 CB GLU A 45 -3.899 -9.554 1.717 1.00 0.00 C ATOM 702 CG GLU A 45 -3.332 -9.081 3.045 1.00 0.00 C ATOM 703 CD GLU A 45 -4.062 -7.878 3.599 1.00 0.00 C ATOM 704 OE1 GLU A 45 -5.293 -7.964 3.794 1.00 0.00 O ATOM 705 OE2 GLU A 45 -3.407 -6.845 3.861 1.00 0.00 O ATOM 0 H GLU A 45 -1.630 -9.325 0.737 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.089 -11.531 1.862 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.887 -8.726 1.009 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.942 -9.840 1.856 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.383 -9.896 3.767 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.278 -8.834 2.917 1.00 0.00 H new ATOM 712 N ARG A 46 -3.544 -10.681 -1.263 1.00 0.00 N ATOM 713 CA ARG A 46 -4.162 -11.083 -2.517 1.00 0.00 C ATOM 714 C ARG A 46 -3.565 -12.399 -3.016 1.00 0.00 C ATOM 715 O ARG A 46 -4.283 -13.368 -3.262 1.00 0.00 O ATOM 716 CB ARG A 46 -3.961 -9.989 -3.570 1.00 0.00 C ATOM 717 CG ARG A 46 -5.012 -9.979 -4.671 1.00 0.00 C ATOM 718 CD ARG A 46 -6.313 -9.333 -4.206 1.00 0.00 C ATOM 719 NE ARG A 46 -7.019 -10.139 -3.209 1.00 0.00 N ATOM 720 CZ ARG A 46 -7.567 -9.643 -2.098 1.00 0.00 C ATOM 721 NH1 ARG A 46 -7.455 -8.347 -1.813 1.00 0.00 N ATOM 722 NH2 ARG A 46 -8.228 -10.442 -1.269 1.00 0.00 N ATOM 0 H ARG A 46 -2.869 -9.921 -1.352 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.229 -11.229 -2.346 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.962 -9.019 -3.074 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.978 -10.114 -4.024 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.627 -9.439 -5.536 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.209 -11.001 -4.995 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.096 -8.351 -3.786 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.963 -9.175 -5.066 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.097 -11.143 -3.374 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.948 -7.728 -2.445 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.876 -7.974 -0.962 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.317 -11.436 -1.481 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.647 -10.062 -0.420 1.00 0.00 H new ATOM 736 N TYR A 47 -2.243 -12.422 -3.159 1.00 0.00 N ATOM 737 CA TYR A 47 -1.541 -13.598 -3.663 1.00 0.00 C ATOM 738 C TYR A 47 -0.738 -14.275 -2.563 1.00 0.00 C ATOM 739 O TYR A 47 -1.074 -15.371 -2.118 1.00 0.00 O ATOM 740 CB TYR A 47 -0.597 -13.216 -4.804 1.00 0.00 C ATOM 741 CG TYR A 47 -1.287 -12.895 -6.105 1.00 0.00 C ATOM 742 CD1 TYR A 47 -1.797 -11.627 -6.353 1.00 0.00 C ATOM 743 CD2 TYR A 47 -1.420 -13.863 -7.089 1.00 0.00 C ATOM 744 CE1 TYR A 47 -2.420 -11.334 -7.550 1.00 0.00 C ATOM 745 CE2 TYR A 47 -2.041 -13.581 -8.287 1.00 0.00 C ATOM 746 CZ TYR A 47 -2.541 -12.318 -8.514 1.00 0.00 C ATOM 747 OH TYR A 47 -3.159 -12.040 -9.709 1.00 0.00 O ATOM 0 H TYR A 47 -1.634 -11.636 -2.932 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.297 -14.293 -4.030 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.007 -12.352 -4.497 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.102 -14.036 -4.971 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.705 -10.859 -5.599 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.030 -14.855 -6.914 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.810 -10.343 -7.732 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -2.135 -14.346 -9.043 1.00 0.00 H new ATOM 0 HH TYR A 47 -3.014 -11.099 -9.941 1.00 0.00 H new ATOM 757 N GLY A 48 0.322 -13.610 -2.125 1.00 0.00 N ATOM 758 CA GLY A 48 1.211 -14.193 -1.145 1.00 0.00 C ATOM 759 C GLY A 48 2.501 -14.687 -1.771 1.00 0.00 C ATOM 760 O GLY A 48 2.639 -15.870 -2.082 1.00 0.00 O ATOM 0 H GLY A 48 0.581 -12.673 -2.434 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.440 -13.453 -0.378 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.708 -15.023 -0.648 1.00 0.00 H new ATOM 764 N TRP A 49 3.438 -13.775 -1.968 1.00 0.00 N ATOM 765 CA TRP A 49 4.737 -14.115 -2.529 1.00 0.00 C ATOM 766 C TRP A 49 5.816 -13.887 -1.487 1.00 0.00 C ATOM 767 O TRP A 49 5.524 -13.527 -0.346 1.00 0.00 O ATOM 768 CB TRP A 49 5.072 -13.248 -3.750 1.00 0.00 C ATOM 769 CG TRP A 49 4.064 -13.276 -4.857 1.00 0.00 C ATOM 770 CD1 TRP A 49 3.494 -14.373 -5.433 1.00 0.00 C ATOM 771 CD2 TRP A 49 3.538 -12.138 -5.550 1.00 0.00 C ATOM 772 NE1 TRP A 49 2.636 -13.985 -6.435 1.00 0.00 N ATOM 773 CE2 TRP A 49 2.646 -12.617 -6.526 1.00 0.00 C ATOM 774 CE3 TRP A 49 3.734 -10.763 -5.433 1.00 0.00 C ATOM 775 CZ2 TRP A 49 1.951 -11.763 -7.383 1.00 0.00 C ATOM 776 CZ3 TRP A 49 3.047 -9.917 -6.280 1.00 0.00 C ATOM 777 CH2 TRP A 49 2.164 -10.417 -7.244 1.00 0.00 C ATOM 0 H TRP A 49 3.323 -12.786 -1.746 1.00 0.00 H new ATOM 0 HA TRP A 49 4.696 -15.161 -2.834 1.00 0.00 H new ATOM 0 HB2 TRP A 49 5.194 -12.217 -3.419 1.00 0.00 H new ATOM 0 HB3 TRP A 49 6.034 -13.570 -4.150 1.00 0.00 H new ATOM 0 HD1 TRP A 49 3.688 -15.396 -5.145 1.00 0.00 H new ATOM 0 HE1 TRP A 49 2.082 -14.613 -7.017 1.00 0.00 H new ATOM 0 HE3 TRP A 49 4.412 -10.366 -4.692 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 1.271 -12.149 -8.128 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 3.193 -8.850 -6.197 1.00 0.00 H new ATOM 0 HH2 TRP A 49 1.641 -9.728 -7.891 1.00 0.00 H new ATOM 788 N SER A 50 7.057 -14.099 -1.883 1.00 0.00 N ATOM 789 CA SER A 50 8.188 -13.671 -1.087 1.00 0.00 C ATOM 790 C SER A 50 8.090 -12.166 -0.884 1.00 0.00 C ATOM 791 O SER A 50 7.734 -11.441 -1.815 1.00 0.00 O ATOM 792 CB SER A 50 9.493 -14.025 -1.805 1.00 0.00 C ATOM 793 OG SER A 50 10.625 -13.672 -1.031 1.00 0.00 O ATOM 0 H SER A 50 7.306 -14.567 -2.754 1.00 0.00 H new ATOM 0 HA SER A 50 8.181 -14.175 -0.121 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.515 -15.094 -2.016 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.532 -13.510 -2.765 1.00 0.00 H new ATOM 0 HG SER A 50 11.441 -13.913 -1.517 1.00 0.00 H new ATOM 799 N LYS A 51 8.372 -11.695 0.323 1.00 0.00 N ATOM 800 CA LYS A 51 8.259 -10.272 0.617 1.00 0.00 C ATOM 801 C LYS A 51 9.178 -9.468 -0.299 1.00 0.00 C ATOM 802 O LYS A 51 8.803 -8.403 -0.787 1.00 0.00 O ATOM 803 CB LYS A 51 8.593 -9.978 2.079 1.00 0.00 C ATOM 804 CG LYS A 51 8.287 -8.541 2.480 1.00 0.00 C ATOM 805 CD LYS A 51 9.439 -7.905 3.238 1.00 0.00 C ATOM 806 CE LYS A 51 10.749 -8.039 2.475 1.00 0.00 C ATOM 807 NZ LYS A 51 11.781 -7.083 2.950 1.00 0.00 N ATOM 0 H LYS A 51 8.678 -12.270 1.108 1.00 0.00 H new ATOM 0 HA LYS A 51 7.225 -9.976 0.439 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.029 -10.656 2.719 1.00 0.00 H new ATOM 0 HB3 LYS A 51 9.650 -10.181 2.253 1.00 0.00 H new ATOM 0 HG2 LYS A 51 8.072 -7.953 1.588 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.390 -8.520 3.099 1.00 0.00 H new ATOM 0 HD2 LYS A 51 9.224 -6.851 3.412 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.536 -8.376 4.216 1.00 0.00 H new ATOM 0 HE2 LYS A 51 11.125 -9.057 2.580 1.00 0.00 H new ATOM 0 HE3 LYS A 51 10.566 -7.874 1.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 12.721 -7.409 2.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 11.595 -6.143 2.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 11.750 -7.027 3.988 1.00 0.00 H new ATOM 821 N GLU A 52 10.380 -9.992 -0.532 1.00 0.00 N ATOM 822 CA GLU A 52 11.323 -9.370 -1.459 1.00 0.00 C ATOM 823 C GLU A 52 10.703 -9.281 -2.848 1.00 0.00 C ATOM 824 O GLU A 52 10.717 -8.227 -3.484 1.00 0.00 O ATOM 825 CB GLU A 52 12.613 -10.188 -1.528 1.00 0.00 C ATOM 826 CG GLU A 52 13.302 -10.363 -0.187 1.00 0.00 C ATOM 827 CD GLU A 52 14.033 -9.124 0.281 1.00 0.00 C ATOM 828 OE1 GLU A 52 13.392 -8.226 0.864 1.00 0.00 O ATOM 829 OE2 GLU A 52 15.266 -9.054 0.093 1.00 0.00 O ATOM 0 H GLU A 52 10.724 -10.845 -0.092 1.00 0.00 H new ATOM 0 HA GLU A 52 11.555 -8.367 -1.101 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.387 -11.171 -1.940 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.302 -9.703 -2.219 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.559 -10.641 0.561 1.00 0.00 H new ATOM 0 HG3 GLU A 52 14.010 -11.189 -0.256 1.00 0.00 H new ATOM 836 N ARG A 53 10.141 -10.399 -3.296 1.00 0.00 N ATOM 837 CA ARG A 53 9.484 -10.476 -4.595 1.00 0.00 C ATOM 838 C ARG A 53 8.333 -9.476 -4.683 1.00 0.00 C ATOM 839 O ARG A 53 8.167 -8.801 -5.698 1.00 0.00 O ATOM 840 CB ARG A 53 8.985 -11.906 -4.838 1.00 0.00 C ATOM 841 CG ARG A 53 8.158 -12.079 -6.102 1.00 0.00 C ATOM 842 CD ARG A 53 7.965 -13.549 -6.433 1.00 0.00 C ATOM 843 NE ARG A 53 9.224 -14.185 -6.823 1.00 0.00 N ATOM 844 CZ ARG A 53 9.560 -15.440 -6.528 1.00 0.00 C ATOM 845 NH1 ARG A 53 8.753 -16.204 -5.799 1.00 0.00 N ATOM 846 NH2 ARG A 53 10.717 -15.923 -6.956 1.00 0.00 N ATOM 0 H ARG A 53 10.128 -11.273 -2.771 1.00 0.00 H new ATOM 0 HA ARG A 53 10.205 -10.218 -5.370 1.00 0.00 H new ATOM 0 HB2 ARG A 53 9.845 -12.574 -4.887 1.00 0.00 H new ATOM 0 HB3 ARG A 53 8.387 -12.219 -3.982 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.187 -11.602 -5.973 1.00 0.00 H new ATOM 0 HG3 ARG A 53 8.651 -11.577 -6.935 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.549 -14.065 -5.568 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.241 -13.648 -7.242 1.00 0.00 H new ATOM 0 HE ARG A 53 9.891 -13.629 -7.358 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.866 -15.831 -5.460 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.020 -17.164 -5.579 1.00 0.00 H new ATOM 0 HH21 ARG A 53 11.343 -15.335 -7.507 1.00 0.00 H new ATOM 0 HH22 ARG A 53 10.982 -16.883 -6.735 1.00 0.00 H new ATOM 860 N ALA A 54 7.558 -9.376 -3.611 1.00 0.00 N ATOM 861 CA ALA A 54 6.447 -8.436 -3.552 1.00 0.00 C ATOM 862 C ALA A 54 6.946 -6.998 -3.660 1.00 0.00 C ATOM 863 O ALA A 54 6.408 -6.202 -4.437 1.00 0.00 O ATOM 864 CB ALA A 54 5.651 -8.635 -2.271 1.00 0.00 C ATOM 0 H ALA A 54 7.679 -9.937 -2.768 1.00 0.00 H new ATOM 0 HA ALA A 54 5.790 -8.629 -4.400 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.824 -7.925 -2.242 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.258 -9.651 -2.241 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.300 -8.472 -1.410 1.00 0.00 H new ATOM 870 N GLU A 55 7.985 -6.668 -2.893 1.00 0.00 N ATOM 871 CA GLU A 55 8.576 -5.336 -2.947 1.00 0.00 C ATOM 872 C GLU A 55 9.073 -5.021 -4.350 1.00 0.00 C ATOM 873 O GLU A 55 8.764 -3.965 -4.894 1.00 0.00 O ATOM 874 CB GLU A 55 9.733 -5.187 -1.955 1.00 0.00 C ATOM 875 CG GLU A 55 9.296 -5.055 -0.506 1.00 0.00 C ATOM 876 CD GLU A 55 10.391 -4.480 0.372 1.00 0.00 C ATOM 877 OE1 GLU A 55 10.631 -3.253 0.300 1.00 0.00 O ATOM 878 OE2 GLU A 55 11.025 -5.240 1.132 1.00 0.00 O ATOM 0 H GLU A 55 8.431 -7.303 -2.231 1.00 0.00 H new ATOM 0 HA GLU A 55 7.792 -4.631 -2.672 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.390 -6.052 -2.048 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.320 -4.310 -2.227 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.415 -4.416 -0.451 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.004 -6.034 -0.126 1.00 0.00 H new ATOM 885 N GLN A 56 9.828 -5.946 -4.935 1.00 0.00 N ATOM 886 CA GLN A 56 10.391 -5.749 -6.271 1.00 0.00 C ATOM 887 C GLN A 56 9.295 -5.540 -7.312 1.00 0.00 C ATOM 888 O GLN A 56 9.471 -4.776 -8.262 1.00 0.00 O ATOM 889 CB GLN A 56 11.282 -6.929 -6.664 1.00 0.00 C ATOM 890 CG GLN A 56 12.501 -7.100 -5.767 1.00 0.00 C ATOM 891 CD GLN A 56 13.505 -5.965 -5.892 1.00 0.00 C ATOM 892 OE1 GLN A 56 13.155 -4.825 -6.205 1.00 0.00 O ATOM 893 NE2 GLN A 56 14.765 -6.270 -5.638 1.00 0.00 N ATOM 0 H GLN A 56 10.065 -6.841 -4.506 1.00 0.00 H new ATOM 0 HA GLN A 56 11.002 -4.847 -6.241 1.00 0.00 H new ATOM 0 HB2 GLN A 56 10.691 -7.844 -6.637 1.00 0.00 H new ATOM 0 HB3 GLN A 56 11.615 -6.795 -7.693 1.00 0.00 H new ATOM 0 HG2 GLN A 56 12.173 -7.173 -4.730 1.00 0.00 H new ATOM 0 HG3 GLN A 56 12.994 -8.041 -6.012 1.00 0.00 H new ATOM 0 HE21 GLN A 56 15.017 -7.225 -5.382 1.00 0.00 H new ATOM 0 HE22 GLN A 56 15.486 -5.551 -5.698 1.00 0.00 H new ATOM 902 N GLU A 57 8.158 -6.205 -7.117 1.00 0.00 N ATOM 903 CA GLU A 57 7.006 -6.018 -7.989 1.00 0.00 C ATOM 904 C GLU A 57 6.522 -4.574 -7.938 1.00 0.00 C ATOM 905 O GLU A 57 6.167 -3.991 -8.965 1.00 0.00 O ATOM 906 CB GLU A 57 5.872 -6.970 -7.598 1.00 0.00 C ATOM 907 CG GLU A 57 6.097 -8.399 -8.053 1.00 0.00 C ATOM 908 CD GLU A 57 6.272 -8.497 -9.552 1.00 0.00 C ATOM 909 OE1 GLU A 57 5.297 -8.233 -10.284 1.00 0.00 O ATOM 910 OE2 GLU A 57 7.392 -8.826 -10.005 1.00 0.00 O ATOM 0 H GLU A 57 8.012 -6.877 -6.363 1.00 0.00 H new ATOM 0 HA GLU A 57 7.314 -6.245 -9.010 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.754 -6.956 -6.514 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.938 -6.604 -8.025 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.981 -8.802 -7.558 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.251 -9.014 -7.746 1.00 0.00 H new ATOM 917 N VAL A 58 6.519 -3.997 -6.745 1.00 0.00 N ATOM 918 CA VAL A 58 6.089 -2.617 -6.574 1.00 0.00 C ATOM 919 C VAL A 58 7.185 -1.648 -7.024 1.00 0.00 C ATOM 920 O VAL A 58 6.897 -0.589 -7.586 1.00 0.00 O ATOM 921 CB VAL A 58 5.709 -2.315 -5.110 1.00 0.00 C ATOM 922 CG1 VAL A 58 5.107 -0.926 -4.985 1.00 0.00 C ATOM 923 CG2 VAL A 58 4.744 -3.363 -4.576 1.00 0.00 C ATOM 0 H VAL A 58 6.808 -4.461 -5.884 1.00 0.00 H new ATOM 0 HA VAL A 58 5.204 -2.479 -7.196 1.00 0.00 H new ATOM 0 HB VAL A 58 6.619 -2.350 -4.511 1.00 0.00 H new ATOM 0 HG11 VAL A 58 4.847 -0.735 -3.944 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.832 -0.184 -5.320 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.210 -0.861 -5.601 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.490 -3.130 -3.542 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.837 -3.365 -5.181 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.213 -4.346 -4.622 1.00 0.00 H new ATOM 933 N ARG A 59 8.442 -2.022 -6.789 1.00 0.00 N ATOM 934 CA ARG A 59 9.579 -1.182 -7.168 1.00 0.00 C ATOM 935 C ARG A 59 9.613 -0.980 -8.679 1.00 0.00 C ATOM 936 O ARG A 59 9.832 0.131 -9.155 1.00 0.00 O ATOM 937 CB ARG A 59 10.905 -1.795 -6.703 1.00 0.00 C ATOM 938 CG ARG A 59 10.999 -2.019 -5.200 1.00 0.00 C ATOM 939 CD ARG A 59 10.812 -0.734 -4.407 1.00 0.00 C ATOM 940 NE ARG A 59 10.845 -0.986 -2.966 1.00 0.00 N ATOM 941 CZ ARG A 59 10.652 -0.056 -2.030 1.00 0.00 C ATOM 942 NH1 ARG A 59 10.490 1.221 -2.371 1.00 0.00 N ATOM 943 NH2 ARG A 59 10.648 -0.410 -0.747 1.00 0.00 N ATOM 0 H ARG A 59 8.699 -2.900 -6.338 1.00 0.00 H new ATOM 0 HA ARG A 59 9.452 -0.217 -6.677 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.048 -2.749 -7.210 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.722 -1.143 -7.013 1.00 0.00 H new ATOM 0 HG2 ARG A 59 10.243 -2.743 -4.896 1.00 0.00 H new ATOM 0 HG3 ARG A 59 11.970 -2.452 -4.960 1.00 0.00 H new ATOM 0 HD2 ARG A 59 11.596 -0.024 -4.672 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.861 -0.274 -4.676 1.00 0.00 H new ATOM 0 HE ARG A 59 11.029 -1.940 -2.656 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.513 1.493 -3.354 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.343 1.927 -1.649 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.792 -1.386 -0.487 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.501 0.294 -0.024 1.00 0.00 H new ATOM 957 N ASP A 60 9.388 -2.062 -9.422 1.00 0.00 N ATOM 958 CA ASP A 60 9.340 -2.005 -10.885 1.00 0.00 C ATOM 959 C ASP A 60 8.274 -1.019 -11.351 1.00 0.00 C ATOM 960 O ASP A 60 8.511 -0.193 -12.237 1.00 0.00 O ATOM 961 CB ASP A 60 9.045 -3.394 -11.461 1.00 0.00 C ATOM 962 CG ASP A 60 8.914 -3.387 -12.973 1.00 0.00 C ATOM 963 OD1 ASP A 60 7.789 -3.178 -13.478 1.00 0.00 O ATOM 964 OD2 ASP A 60 9.930 -3.591 -13.663 1.00 0.00 O ATOM 0 H ASP A 60 9.235 -2.993 -9.035 1.00 0.00 H new ATOM 0 HA ASP A 60 10.312 -1.667 -11.244 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.843 -4.079 -11.173 1.00 0.00 H new ATOM 0 HB3 ASP A 60 8.123 -3.776 -11.023 1.00 0.00 H new ATOM 969 N PHE A 61 7.102 -1.113 -10.734 1.00 0.00 N ATOM 970 CA PHE A 61 5.981 -0.231 -11.044 1.00 0.00 C ATOM 971 C PHE A 61 6.336 1.222 -10.736 1.00 0.00 C ATOM 972 O PHE A 61 6.186 2.101 -11.583 1.00 0.00 O ATOM 973 CB PHE A 61 4.747 -0.662 -10.239 1.00 0.00 C ATOM 974 CG PHE A 61 3.537 0.207 -10.445 1.00 0.00 C ATOM 975 CD1 PHE A 61 2.716 0.020 -11.544 1.00 0.00 C ATOM 976 CD2 PHE A 61 3.221 1.207 -9.541 1.00 0.00 C ATOM 977 CE1 PHE A 61 1.602 0.816 -11.736 1.00 0.00 C ATOM 978 CE2 PHE A 61 2.110 2.006 -9.728 1.00 0.00 C ATOM 979 CZ PHE A 61 1.300 1.812 -10.827 1.00 0.00 C ATOM 0 H PHE A 61 6.901 -1.800 -10.007 1.00 0.00 H new ATOM 0 HA PHE A 61 5.758 -0.306 -12.108 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.493 -1.687 -10.508 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.002 -0.664 -9.179 1.00 0.00 H new ATOM 0 HD1 PHE A 61 2.948 -0.756 -12.259 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.851 1.364 -8.678 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.968 0.659 -12.596 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.876 2.782 -9.014 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.432 2.437 -10.977 1.00 0.00 H new ATOM 989 N SER A 62 6.841 1.451 -9.532 1.00 0.00 N ATOM 990 CA SER A 62 7.161 2.793 -9.065 1.00 0.00 C ATOM 991 C SER A 62 8.304 3.402 -9.874 1.00 0.00 C ATOM 992 O SER A 62 8.395 4.619 -10.022 1.00 0.00 O ATOM 993 CB SER A 62 7.536 2.745 -7.585 1.00 0.00 C ATOM 994 OG SER A 62 6.539 2.072 -6.832 1.00 0.00 O ATOM 0 H SER A 62 7.040 0.716 -8.854 1.00 0.00 H new ATOM 0 HA SER A 62 6.281 3.422 -9.200 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.493 2.237 -7.464 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.663 3.759 -7.205 1.00 0.00 H new ATOM 0 HG SER A 62 6.596 1.108 -7.001 1.00 0.00 H new ATOM 1000 N ASP A 63 9.170 2.544 -10.398 1.00 0.00 N ATOM 1001 CA ASP A 63 10.321 2.981 -11.181 1.00 0.00 C ATOM 1002 C ASP A 63 9.886 3.575 -12.520 1.00 0.00 C ATOM 1003 O ASP A 63 10.515 4.499 -13.032 1.00 0.00 O ATOM 1004 CB ASP A 63 11.273 1.801 -11.406 1.00 0.00 C ATOM 1005 CG ASP A 63 12.473 2.159 -12.262 1.00 0.00 C ATOM 1006 OD1 ASP A 63 13.396 2.828 -11.755 1.00 0.00 O ATOM 1007 OD2 ASP A 63 12.497 1.766 -13.446 1.00 0.00 O ATOM 0 H ASP A 63 9.096 1.532 -10.294 1.00 0.00 H new ATOM 0 HA ASP A 63 10.840 3.761 -10.624 1.00 0.00 H new ATOM 0 HB2 ASP A 63 11.620 1.433 -10.441 1.00 0.00 H new ATOM 0 HB3 ASP A 63 10.726 0.986 -11.880 1.00 0.00 H new ATOM 1012 N ARG A 64 8.788 3.067 -13.070 1.00 0.00 N ATOM 1013 CA ARG A 64 8.316 3.516 -14.379 1.00 0.00 C ATOM 1014 C ARG A 64 7.260 4.617 -14.223 1.00 0.00 C ATOM 1015 O ARG A 64 6.451 4.861 -15.119 1.00 0.00 O ATOM 1016 CB ARG A 64 7.749 2.337 -15.183 1.00 0.00 C ATOM 1017 CG ARG A 64 7.527 2.652 -16.657 1.00 0.00 C ATOM 1018 CD ARG A 64 6.889 1.488 -17.396 1.00 0.00 C ATOM 1019 NE ARG A 64 6.586 1.835 -18.788 1.00 0.00 N ATOM 1020 CZ ARG A 64 5.805 1.105 -19.587 1.00 0.00 C ATOM 1021 NH1 ARG A 64 5.313 -0.055 -19.165 1.00 0.00 N ATOM 1022 NH2 ARG A 64 5.535 1.520 -20.818 1.00 0.00 N ATOM 0 H ARG A 64 8.210 2.348 -12.634 1.00 0.00 H new ATOM 0 HA ARG A 64 9.164 3.928 -14.925 1.00 0.00 H new ATOM 0 HB2 ARG A 64 8.431 1.491 -15.100 1.00 0.00 H new ATOM 0 HB3 ARG A 64 6.802 2.028 -14.740 1.00 0.00 H new ATOM 0 HG2 ARG A 64 6.891 3.532 -16.748 1.00 0.00 H new ATOM 0 HG3 ARG A 64 8.481 2.899 -17.123 1.00 0.00 H new ATOM 0 HD2 ARG A 64 7.560 0.629 -17.372 1.00 0.00 H new ATOM 0 HD3 ARG A 64 5.972 1.191 -16.886 1.00 0.00 H new ATOM 0 HE ARG A 64 6.998 2.687 -19.169 1.00 0.00 H new ATOM 0 HH11 ARG A 64 5.532 -0.391 -18.227 1.00 0.00 H new ATOM 0 HH12 ARG A 64 4.717 -0.610 -19.779 1.00 0.00 H new ATOM 0 HH21 ARG A 64 5.925 2.400 -21.157 1.00 0.00 H new ATOM 0 HH22 ARG A 64 4.938 0.959 -21.426 1.00 0.00 H new ATOM 1036 N LEU A 65 7.274 5.286 -13.083 1.00 0.00 N ATOM 1037 CA LEU A 65 6.371 6.401 -12.844 1.00 0.00 C ATOM 1038 C LEU A 65 7.121 7.717 -13.002 1.00 0.00 C ATOM 1039 O LEU A 65 6.861 8.442 -13.987 1.00 0.00 O ATOM 1040 CB LEU A 65 5.751 6.308 -11.448 1.00 0.00 C ATOM 1041 CG LEU A 65 4.887 5.069 -11.197 1.00 0.00 C ATOM 1042 CD1 LEU A 65 4.344 5.076 -9.778 1.00 0.00 C ATOM 1043 CD2 LEU A 65 3.744 4.998 -12.198 1.00 0.00 C ATOM 1044 OXT LEU A 65 7.995 8.006 -12.160 1.00 0.00 O ATOM 0 H LEU A 65 7.901 5.077 -12.307 1.00 0.00 H new ATOM 0 HA LEU A 65 5.565 6.359 -13.577 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.553 6.327 -10.710 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.142 7.196 -11.279 1.00 0.00 H new ATOM 0 HG LEU A 65 5.514 4.186 -11.326 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.732 4.188 -9.618 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.174 5.077 -9.071 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.736 5.968 -9.626 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.143 4.110 -12.002 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.121 5.887 -12.102 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.148 4.946 -13.209 1.00 0.00 H new TER 1056 LEU A 65