USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 819 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 VAL N :NH3+ -119:sc= -1.87 (180deg=-2.64!) USER MOD Single : A 2 SER OG : rot 170:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= -1.02 USER MOD Single : A 5 TYR OH : rot 128:sc= 0.0151 USER MOD Single : A 9 TYR OH : rot 180:sc= -2.06 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -140:sc= -1.65 (180deg=-2.63) USER MOD Single : A 17 SER OG : rot -40:sc= 0.0125 USER MOD Single : A 21 SER OG : rot 74:sc= 0.168 USER MOD Single : A 22 ASN : amide:sc= -0.906 K(o=-0.91,f=-1.7!) USER MOD Single : A 25 HIS : no HD1:sc= -5.11 K(o=-5.1,f=-3.6!) USER MOD Single : A 28 MET CE :methyl -148:sc= -3.67! (180deg=-4.4!) USER MOD Single : A 30 GLN : amide:sc= -0.009 K(o=-0.009,f=-1!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -1.84 K(o=-1.8,f=-5.7!) USER MOD Single : A 54 SER OG : rot -110:sc= -1.34 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 104:sc= 1.25 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.0361 K(o=-0.036,f=-1.5!) USER MOD Single : A 69 ASN : amide:sc= -0.442 K(o=-0.44,f=-1.9!) USER MOD Single : A 70 SER OG : rot -150:sc= 0 USER MOD Single : A 78 SER OG : rot 100:sc= 1.19 USER MOD Single : A 84 ASN : amide:sc= -0.868 K(o=-0.87,f=-7.6!) USER MOD Single : A 86 ASN : amide:sc= -2.86 K(o=-2.9,f=-9.6!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 90:sc= -1.16 USER MOD Single : A 92 LYS NZ :NH3+ -122:sc= -0.0161 (180deg=-0.428) USER MOD Single : A 96 SER OG : rot 180:sc= -0.137 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0147 USER MOD Single : A 104 ASN : amide:sc= -0.197 K(o=-0.2,f=-2!) USER MOD Single : A 106 ASN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -0.527 X(o=-0.53,f=-0.56) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= -0.0146 K(o=-0.015,f=-1.6!) USER MOD Single : A 117 ASN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 120 ASN : amide:sc= -0.13 K(o=-0.13,f=-0.7) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 90.587 -3.152 13.654 1.00 0.00 N ATOM 2 CA VAL A 1 90.495 -3.477 12.202 1.00 0.00 C ATOM 3 C VAL A 1 91.755 -4.198 11.715 1.00 0.00 C ATOM 4 O VAL A 1 92.857 -3.922 12.157 1.00 0.00 O ATOM 5 CB VAL A 1 90.347 -2.125 11.494 1.00 0.00 C ATOM 6 CG1 VAL A 1 89.064 -1.442 11.966 1.00 0.00 C ATOM 7 CG2 VAL A 1 91.543 -1.230 11.820 1.00 0.00 C ATOM 0 H1 VAL A 1 89.820 -3.632 14.166 1.00 0.00 H new ATOM 0 H2 VAL A 1 91.504 -3.473 14.024 1.00 0.00 H new ATOM 0 H3 VAL A 1 90.501 -2.124 13.786 1.00 0.00 H new ATOM 0 HA VAL A 1 89.658 -4.145 11.996 1.00 0.00 H new ATOM 0 HB VAL A 1 90.304 -2.290 10.417 1.00 0.00 H new ATOM 0 HG11 VAL A 1 88.958 -0.481 11.463 1.00 0.00 H new ATOM 0 HG12 VAL A 1 88.207 -2.073 11.728 1.00 0.00 H new ATOM 0 HG13 VAL A 1 89.111 -1.285 13.044 1.00 0.00 H new ATOM 0 HG21 VAL A 1 91.429 -0.272 11.313 1.00 0.00 H new ATOM 0 HG22 VAL A 1 91.593 -1.067 12.897 1.00 0.00 H new ATOM 0 HG23 VAL A 1 92.461 -1.712 11.483 1.00 0.00 H new ATOM 17 N SER A 2 91.589 -5.131 10.815 1.00 0.00 N ATOM 18 CA SER A 2 92.757 -5.886 10.280 1.00 0.00 C ATOM 19 C SER A 2 92.952 -5.555 8.799 1.00 0.00 C ATOM 20 O SER A 2 92.000 -5.424 8.052 1.00 0.00 O ATOM 21 CB SER A 2 92.407 -7.359 10.466 1.00 0.00 C ATOM 22 OG SER A 2 93.470 -8.159 9.965 1.00 0.00 O ATOM 0 H SER A 2 90.687 -5.403 10.425 1.00 0.00 H new ATOM 0 HA SER A 2 93.686 -5.632 10.791 1.00 0.00 H new ATOM 0 HB2 SER A 2 92.240 -7.575 11.521 1.00 0.00 H new ATOM 0 HB3 SER A 2 91.481 -7.594 9.942 1.00 0.00 H new ATOM 0 HG SER A 2 93.327 -9.093 10.225 1.00 0.00 H new ATOM 28 N ILE A 3 94.180 -5.412 8.375 1.00 0.00 N ATOM 29 CA ILE A 3 94.453 -5.076 6.945 1.00 0.00 C ATOM 30 C ILE A 3 95.063 -6.268 6.208 1.00 0.00 C ATOM 31 O ILE A 3 95.788 -7.058 6.778 1.00 0.00 O ATOM 32 CB ILE A 3 95.450 -3.911 6.982 1.00 0.00 C ATOM 33 CG1 ILE A 3 96.736 -4.334 7.704 1.00 0.00 C ATOM 34 CG2 ILE A 3 94.822 -2.720 7.710 1.00 0.00 C ATOM 35 CD1 ILE A 3 97.832 -3.306 7.430 1.00 0.00 C ATOM 0 H ILE A 3 95.010 -5.514 8.960 1.00 0.00 H new ATOM 0 HA ILE A 3 93.536 -4.816 6.417 1.00 0.00 H new ATOM 0 HB ILE A 3 95.696 -3.626 5.959 1.00 0.00 H new ATOM 0 HG12 ILE A 3 96.555 -4.413 8.776 1.00 0.00 H new ATOM 0 HG13 ILE A 3 97.052 -5.319 7.361 1.00 0.00 H new ATOM 0 HG21 ILE A 3 95.532 -1.893 7.735 1.00 0.00 H new ATOM 0 HG22 ILE A 3 93.919 -2.407 7.185 1.00 0.00 H new ATOM 0 HG23 ILE A 3 94.567 -3.010 8.729 1.00 0.00 H new ATOM 0 HD11 ILE A 3 98.747 -3.604 7.942 1.00 0.00 H new ATOM 0 HD12 ILE A 3 98.018 -3.250 6.357 1.00 0.00 H new ATOM 0 HD13 ILE A 3 97.514 -2.329 7.795 1.00 0.00 H new ATOM 47 N SER A 4 94.778 -6.388 4.939 1.00 0.00 N ATOM 48 CA SER A 4 95.333 -7.505 4.126 1.00 0.00 C ATOM 49 C SER A 4 95.562 -7.000 2.701 1.00 0.00 C ATOM 50 O SER A 4 95.448 -5.818 2.437 1.00 0.00 O ATOM 51 CB SER A 4 94.259 -8.590 4.145 1.00 0.00 C ATOM 52 OG SER A 4 94.581 -9.553 5.140 1.00 0.00 O ATOM 0 H SER A 4 94.174 -5.747 4.424 1.00 0.00 H new ATOM 0 HA SER A 4 96.281 -7.883 4.508 1.00 0.00 H new ATOM 0 HB2 SER A 4 93.284 -8.149 4.352 1.00 0.00 H new ATOM 0 HB3 SER A 4 94.192 -9.068 3.168 1.00 0.00 H new ATOM 0 HG SER A 4 93.892 -10.250 5.156 1.00 0.00 H new ATOM 58 N TYR A 5 95.874 -7.875 1.781 1.00 0.00 N ATOM 59 CA TYR A 5 96.089 -7.419 0.374 1.00 0.00 C ATOM 60 C TYR A 5 95.590 -8.470 -0.626 1.00 0.00 C ATOM 61 O TYR A 5 95.625 -9.655 -0.359 1.00 0.00 O ATOM 62 CB TYR A 5 97.603 -7.219 0.233 1.00 0.00 C ATOM 63 CG TYR A 5 98.338 -8.502 0.560 1.00 0.00 C ATOM 64 CD1 TYR A 5 98.610 -9.430 -0.451 1.00 0.00 C ATOM 65 CD2 TYR A 5 98.746 -8.757 1.875 1.00 0.00 C ATOM 66 CE1 TYR A 5 99.290 -10.616 -0.146 1.00 0.00 C ATOM 67 CE2 TYR A 5 99.427 -9.941 2.179 1.00 0.00 C ATOM 68 CZ TYR A 5 99.699 -10.871 1.169 1.00 0.00 C ATOM 69 OH TYR A 5 100.370 -12.038 1.469 1.00 0.00 O ATOM 0 H TYR A 5 95.989 -8.876 1.939 1.00 0.00 H new ATOM 0 HA TYR A 5 95.537 -6.503 0.163 1.00 0.00 H new ATOM 0 HB2 TYR A 5 97.842 -6.905 -0.783 1.00 0.00 H new ATOM 0 HB3 TYR A 5 97.935 -6.423 0.899 1.00 0.00 H new ATOM 0 HD1 TYR A 5 98.296 -9.232 -1.465 1.00 0.00 H new ATOM 0 HD2 TYR A 5 98.535 -8.040 2.655 1.00 0.00 H new ATOM 0 HE1 TYR A 5 99.499 -11.334 -0.925 1.00 0.00 H new ATOM 0 HE2 TYR A 5 99.743 -10.137 3.193 1.00 0.00 H new ATOM 0 HH TYR A 5 101.200 -11.825 1.945 1.00 0.00 H new ATOM 79 N ASP A 6 95.148 -8.039 -1.786 1.00 0.00 N ATOM 80 CA ASP A 6 94.672 -9.009 -2.817 1.00 0.00 C ATOM 81 C ASP A 6 95.342 -8.695 -4.169 1.00 0.00 C ATOM 82 O ASP A 6 95.649 -7.552 -4.445 1.00 0.00 O ATOM 83 CB ASP A 6 93.157 -8.809 -2.901 1.00 0.00 C ATOM 84 CG ASP A 6 92.455 -9.690 -1.862 1.00 0.00 C ATOM 85 OD1 ASP A 6 93.014 -10.714 -1.500 1.00 0.00 O1- ATOM 86 OD2 ASP A 6 91.365 -9.330 -1.451 1.00 0.00 O ATOM 0 H ASP A 6 95.098 -7.058 -2.060 1.00 0.00 H new ATOM 0 HA ASP A 6 94.920 -10.040 -2.564 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.910 -7.761 -2.729 1.00 0.00 H new ATOM 0 HB3 ASP A 6 92.803 -9.060 -3.901 1.00 0.00 H new ATOM 91 N PRO A 7 95.567 -9.716 -4.969 1.00 0.00 N ATOM 92 CA PRO A 7 96.226 -9.510 -6.283 1.00 0.00 C ATOM 93 C PRO A 7 95.242 -9.036 -7.366 1.00 0.00 C ATOM 94 O PRO A 7 95.651 -8.725 -8.470 1.00 0.00 O ATOM 95 CB PRO A 7 96.758 -10.896 -6.631 1.00 0.00 C ATOM 96 CG PRO A 7 95.881 -11.863 -5.894 1.00 0.00 C ATOM 97 CD PRO A 7 95.247 -11.133 -4.735 1.00 0.00 C ATOM 0 HA PRO A 7 96.993 -8.738 -6.234 1.00 0.00 H new ATOM 0 HB2 PRO A 7 96.718 -11.072 -7.706 1.00 0.00 H new ATOM 0 HB3 PRO A 7 97.800 -11.003 -6.329 1.00 0.00 H new ATOM 0 HG2 PRO A 7 95.114 -12.263 -6.557 1.00 0.00 H new ATOM 0 HG3 PRO A 7 96.466 -12.710 -5.536 1.00 0.00 H new ATOM 0 HD2 PRO A 7 94.170 -11.296 -4.705 1.00 0.00 H new ATOM 0 HD3 PRO A 7 95.648 -11.478 -3.782 1.00 0.00 H new ATOM 105 N ILE A 8 93.959 -8.991 -7.085 1.00 0.00 N ATOM 106 CA ILE A 8 92.985 -8.550 -8.139 1.00 0.00 C ATOM 107 C ILE A 8 93.134 -7.051 -8.430 1.00 0.00 C ATOM 108 O ILE A 8 93.043 -6.627 -9.567 1.00 0.00 O ATOM 109 CB ILE A 8 91.575 -8.894 -7.606 1.00 0.00 C ATOM 110 CG1 ILE A 8 91.203 -7.997 -6.418 1.00 0.00 C ATOM 111 CG2 ILE A 8 91.525 -10.360 -7.165 1.00 0.00 C ATOM 112 CD1 ILE A 8 89.740 -8.229 -6.050 1.00 0.00 C ATOM 0 H ILE A 8 93.548 -9.237 -6.184 1.00 0.00 H new ATOM 0 HA ILE A 8 93.168 -9.059 -9.085 1.00 0.00 H new ATOM 0 HB ILE A 8 90.860 -8.726 -8.411 1.00 0.00 H new ATOM 0 HG12 ILE A 8 91.844 -8.219 -5.565 1.00 0.00 H new ATOM 0 HG13 ILE A 8 91.364 -6.950 -6.674 1.00 0.00 H new ATOM 0 HG21 ILE A 8 90.528 -10.594 -6.791 1.00 0.00 H new ATOM 0 HG22 ILE A 8 91.754 -11.003 -8.014 1.00 0.00 H new ATOM 0 HG23 ILE A 8 92.257 -10.528 -6.375 1.00 0.00 H new ATOM 0 HD11 ILE A 8 89.472 -7.593 -5.206 1.00 0.00 H new ATOM 0 HD12 ILE A 8 89.107 -7.985 -6.903 1.00 0.00 H new ATOM 0 HD13 ILE A 8 89.595 -9.274 -5.777 1.00 0.00 H new ATOM 124 N TYR A 9 93.340 -6.250 -7.417 1.00 0.00 N ATOM 125 CA TYR A 9 93.466 -4.781 -7.651 1.00 0.00 C ATOM 126 C TYR A 9 94.816 -4.437 -8.282 1.00 0.00 C ATOM 127 O TYR A 9 95.648 -3.752 -7.722 1.00 0.00 O ATOM 128 CB TYR A 9 93.245 -4.098 -6.305 1.00 0.00 C ATOM 129 CG TYR A 9 91.818 -4.329 -5.869 1.00 0.00 C ATOM 130 CD1 TYR A 9 90.763 -3.944 -6.706 1.00 0.00 C ATOM 131 CD2 TYR A 9 91.548 -4.928 -4.633 1.00 0.00 C ATOM 132 CE1 TYR A 9 89.440 -4.158 -6.308 1.00 0.00 C ATOM 133 CE2 TYR A 9 90.221 -5.142 -4.237 1.00 0.00 C ATOM 134 CZ TYR A 9 89.171 -4.758 -5.074 1.00 0.00 C ATOM 135 OH TYR A 9 87.868 -4.974 -4.682 1.00 0.00 O ATOM 0 H TYR A 9 93.426 -6.547 -6.445 1.00 0.00 H new ATOM 0 HA TYR A 9 92.722 -4.426 -8.364 1.00 0.00 H new ATOM 0 HB2 TYR A 9 93.936 -4.497 -5.562 1.00 0.00 H new ATOM 0 HB3 TYR A 9 93.446 -3.030 -6.387 1.00 0.00 H new ATOM 0 HD1 TYR A 9 90.972 -3.482 -7.659 1.00 0.00 H new ATOM 0 HD2 TYR A 9 92.360 -5.224 -3.986 1.00 0.00 H new ATOM 0 HE1 TYR A 9 88.627 -3.860 -6.953 1.00 0.00 H new ATOM 0 HE2 TYR A 9 90.010 -5.604 -3.284 1.00 0.00 H new ATOM 0 HH TYR A 9 87.858 -5.400 -3.800 1.00 0.00 H new ATOM 145 N ALA A 10 94.970 -4.885 -9.503 1.00 0.00 N ATOM 146 CA ALA A 10 96.184 -4.596 -10.314 1.00 0.00 C ATOM 147 C ALA A 10 95.810 -3.565 -11.381 1.00 0.00 C ATOM 148 O ALA A 10 94.665 -3.176 -11.511 1.00 0.00 O ATOM 149 CB ALA A 10 96.612 -5.924 -10.938 1.00 0.00 C ATOM 0 H ALA A 10 94.277 -5.459 -9.984 1.00 0.00 H new ATOM 0 HA ALA A 10 97.004 -4.187 -9.724 1.00 0.00 H new ATOM 0 HB1 ALA A 10 97.503 -5.770 -11.547 1.00 0.00 H new ATOM 0 HB2 ALA A 10 96.832 -6.643 -10.149 1.00 0.00 H new ATOM 0 HB3 ALA A 10 95.807 -6.308 -11.564 1.00 0.00 H new ATOM 155 N ALA A 11 96.789 -3.066 -12.085 1.00 0.00 N ATOM 156 CA ALA A 11 96.536 -1.985 -13.086 1.00 0.00 C ATOM 157 C ALA A 11 95.561 -2.387 -14.197 1.00 0.00 C ATOM 158 O ALA A 11 94.846 -1.537 -14.698 1.00 0.00 O ATOM 159 CB ALA A 11 97.908 -1.652 -13.677 1.00 0.00 C ATOM 0 H ALA A 11 97.762 -3.362 -12.010 1.00 0.00 H new ATOM 0 HA ALA A 11 96.061 -1.135 -12.597 1.00 0.00 H new ATOM 0 HB1 ALA A 11 97.802 -0.864 -14.422 1.00 0.00 H new ATOM 0 HB2 ALA A 11 98.574 -1.313 -12.883 1.00 0.00 H new ATOM 0 HB3 ALA A 11 98.327 -2.542 -14.147 1.00 0.00 H new ATOM 165 N ASP A 12 95.534 -3.627 -14.640 1.00 0.00 N ATOM 166 CA ASP A 12 94.607 -3.957 -15.770 1.00 0.00 C ATOM 167 C ASP A 12 93.219 -4.396 -15.277 1.00 0.00 C ATOM 168 O ASP A 12 92.404 -4.867 -16.049 1.00 0.00 O ATOM 169 CB ASP A 12 95.297 -5.066 -16.562 1.00 0.00 C ATOM 170 CG ASP A 12 96.536 -4.512 -17.279 1.00 0.00 C ATOM 171 OD1 ASP A 12 96.627 -3.304 -17.437 1.00 0.00 O ATOM 172 OD2 ASP A 12 97.376 -5.311 -17.662 1.00 0.00 O1- ATOM 0 H ASP A 12 96.095 -4.400 -14.281 1.00 0.00 H new ATOM 0 HA ASP A 12 94.421 -3.078 -16.388 1.00 0.00 H new ATOM 0 HB2 ASP A 12 95.587 -5.875 -15.892 1.00 0.00 H new ATOM 0 HB3 ASP A 12 94.604 -5.488 -17.290 1.00 0.00 H new ATOM 177 N LEU A 13 92.941 -4.239 -14.010 1.00 0.00 N ATOM 178 CA LEU A 13 91.605 -4.637 -13.468 1.00 0.00 C ATOM 179 C LEU A 13 90.534 -3.676 -13.981 1.00 0.00 C ATOM 180 O LEU A 13 90.628 -2.477 -13.793 1.00 0.00 O ATOM 181 CB LEU A 13 91.739 -4.510 -11.949 1.00 0.00 C ATOM 182 CG LEU A 13 90.482 -5.061 -11.274 1.00 0.00 C ATOM 183 CD1 LEU A 13 90.438 -6.582 -11.440 1.00 0.00 C ATOM 184 CD2 LEU A 13 90.511 -4.713 -9.787 1.00 0.00 C ATOM 0 H LEU A 13 93.585 -3.850 -13.321 1.00 0.00 H new ATOM 0 HA LEU A 13 91.317 -5.644 -13.771 1.00 0.00 H new ATOM 0 HB2 LEU A 13 92.618 -5.056 -11.605 1.00 0.00 H new ATOM 0 HB3 LEU A 13 91.884 -3.466 -11.673 1.00 0.00 H new ATOM 0 HG LEU A 13 89.598 -4.620 -11.735 1.00 0.00 H new ATOM 0 HD11 LEU A 13 89.542 -6.975 -10.959 1.00 0.00 H new ATOM 0 HD12 LEU A 13 90.419 -6.832 -12.501 1.00 0.00 H new ATOM 0 HD13 LEU A 13 91.321 -7.024 -10.979 1.00 0.00 H new ATOM 0 HD21 LEU A 13 89.616 -5.105 -9.304 1.00 0.00 H new ATOM 0 HD22 LEU A 13 91.395 -5.155 -9.327 1.00 0.00 H new ATOM 0 HD23 LEU A 13 90.543 -3.630 -9.667 1.00 0.00 H new ATOM 196 N SER A 14 89.524 -4.192 -14.632 1.00 0.00 N ATOM 197 CA SER A 14 88.453 -3.301 -15.165 1.00 0.00 C ATOM 198 C SER A 14 87.644 -2.707 -14.009 1.00 0.00 C ATOM 199 O SER A 14 87.309 -3.379 -13.054 1.00 0.00 O ATOM 200 CB SER A 14 87.580 -4.179 -16.058 1.00 0.00 C ATOM 201 OG SER A 14 88.305 -4.527 -17.230 1.00 0.00 O ATOM 0 H SER A 14 89.395 -5.187 -14.817 1.00 0.00 H new ATOM 0 HA SER A 14 88.862 -2.462 -15.729 1.00 0.00 H new ATOM 0 HB2 SER A 14 87.281 -5.079 -15.521 1.00 0.00 H new ATOM 0 HB3 SER A 14 86.666 -3.649 -16.326 1.00 0.00 H new ATOM 0 HG SER A 14 87.747 -5.092 -17.804 1.00 0.00 H new ATOM 207 N MET A 15 87.356 -1.438 -14.097 1.00 0.00 N ATOM 208 CA MET A 15 86.590 -0.749 -13.010 1.00 0.00 C ATOM 209 C MET A 15 85.146 -1.261 -12.923 1.00 0.00 C ATOM 210 O MET A 15 84.475 -1.050 -11.931 1.00 0.00 O ATOM 211 CB MET A 15 86.605 0.734 -13.387 1.00 0.00 C ATOM 212 CG MET A 15 88.046 1.252 -13.363 1.00 0.00 C ATOM 213 SD MET A 15 88.655 1.260 -11.658 1.00 0.00 S ATOM 214 CE MET A 15 87.623 2.619 -11.055 1.00 0.00 C ATOM 0 H MET A 15 87.619 -0.840 -14.881 1.00 0.00 H new ATOM 0 HA MET A 15 87.038 -0.936 -12.034 1.00 0.00 H new ATOM 0 HB2 MET A 15 86.174 0.873 -14.378 1.00 0.00 H new ATOM 0 HB3 MET A 15 85.991 1.304 -12.690 1.00 0.00 H new ATOM 0 HG2 MET A 15 88.681 0.621 -13.985 1.00 0.00 H new ATOM 0 HG3 MET A 15 88.089 2.258 -13.781 1.00 0.00 H new ATOM 0 HE1 MET A 15 88.209 3.253 -10.390 1.00 0.00 H new ATOM 0 HE2 MET A 15 87.268 3.209 -11.900 1.00 0.00 H new ATOM 0 HE3 MET A 15 86.769 2.214 -10.512 1.00 0.00 H new ATOM 224 N GLY A 16 84.650 -1.911 -13.946 1.00 0.00 N ATOM 225 CA GLY A 16 83.242 -2.413 -13.913 1.00 0.00 C ATOM 226 C GLY A 16 83.097 -3.582 -12.937 1.00 0.00 C ATOM 227 O GLY A 16 81.996 -3.959 -12.585 1.00 0.00 O ATOM 0 H GLY A 16 85.161 -2.116 -14.805 1.00 0.00 H new ATOM 0 HA2 GLY A 16 82.571 -1.605 -13.620 1.00 0.00 H new ATOM 0 HA3 GLY A 16 82.942 -2.730 -14.912 1.00 0.00 H new ATOM 231 N SER A 17 84.184 -4.171 -12.509 1.00 0.00 N ATOM 232 CA SER A 17 84.089 -5.328 -11.573 1.00 0.00 C ATOM 233 C SER A 17 84.061 -4.874 -10.107 1.00 0.00 C ATOM 234 O SER A 17 83.825 -5.675 -9.221 1.00 0.00 O ATOM 235 CB SER A 17 85.336 -6.163 -11.851 1.00 0.00 C ATOM 236 OG SER A 17 85.145 -7.475 -11.338 1.00 0.00 O ATOM 0 H SER A 17 85.133 -3.900 -12.768 1.00 0.00 H new ATOM 0 HA SER A 17 83.167 -5.889 -11.728 1.00 0.00 H new ATOM 0 HB2 SER A 17 85.529 -6.204 -12.923 1.00 0.00 H new ATOM 0 HB3 SER A 17 86.208 -5.702 -11.387 1.00 0.00 H new ATOM 0 HG SER A 17 84.693 -7.424 -10.470 1.00 0.00 H new ATOM 242 N VAL A 18 84.308 -3.613 -9.833 1.00 0.00 N ATOM 243 CA VAL A 18 84.297 -3.152 -8.411 1.00 0.00 C ATOM 244 C VAL A 18 82.927 -2.564 -8.059 1.00 0.00 C ATOM 245 O VAL A 18 82.102 -2.332 -8.921 1.00 0.00 O ATOM 246 CB VAL A 18 85.404 -2.090 -8.316 1.00 0.00 C ATOM 247 CG1 VAL A 18 85.108 -0.932 -9.281 1.00 0.00 C ATOM 248 CG2 VAL A 18 85.482 -1.554 -6.887 1.00 0.00 C ATOM 0 H VAL A 18 84.514 -2.893 -10.525 1.00 0.00 H new ATOM 0 HA VAL A 18 84.474 -3.967 -7.709 1.00 0.00 H new ATOM 0 HB VAL A 18 86.356 -2.547 -8.587 1.00 0.00 H new ATOM 0 HG11 VAL A 18 85.898 -0.185 -9.206 1.00 0.00 H new ATOM 0 HG12 VAL A 18 85.063 -1.311 -10.302 1.00 0.00 H new ATOM 0 HG13 VAL A 18 84.152 -0.477 -9.021 1.00 0.00 H new ATOM 0 HG21 VAL A 18 86.268 -0.801 -6.823 1.00 0.00 H new ATOM 0 HG22 VAL A 18 84.527 -1.105 -6.614 1.00 0.00 H new ATOM 0 HG23 VAL A 18 85.707 -2.372 -6.203 1.00 0.00 H new ATOM 258 N ALA A 19 82.681 -2.329 -6.794 1.00 0.00 N ATOM 259 CA ALA A 19 81.359 -1.761 -6.371 1.00 0.00 C ATOM 260 C ALA A 19 81.114 -0.424 -7.079 1.00 0.00 C ATOM 261 O ALA A 19 80.047 -0.173 -7.594 1.00 0.00 O ATOM 262 CB ALA A 19 81.474 -1.556 -4.855 1.00 0.00 C ATOM 0 H ALA A 19 83.338 -2.505 -6.034 1.00 0.00 H new ATOM 0 HA ALA A 19 80.526 -2.417 -6.626 1.00 0.00 H new ATOM 0 HB1 ALA A 19 80.541 -1.141 -4.472 1.00 0.00 H new ATOM 0 HB2 ALA A 19 81.671 -2.513 -4.372 1.00 0.00 H new ATOM 0 HB3 ALA A 19 82.292 -0.867 -4.642 1.00 0.00 H new ATOM 268 N CYS A 20 82.105 0.419 -7.125 1.00 0.00 N ATOM 269 CA CYS A 20 81.950 1.736 -7.822 1.00 0.00 C ATOM 270 C CYS A 20 82.141 1.523 -9.330 1.00 0.00 C ATOM 271 O CYS A 20 83.227 1.682 -9.853 1.00 0.00 O ATOM 272 CB CYS A 20 83.060 2.619 -7.242 1.00 0.00 C ATOM 273 SG CYS A 20 82.805 2.809 -5.455 1.00 0.00 S ATOM 0 H CYS A 20 83.022 0.257 -6.710 1.00 0.00 H new ATOM 0 HA CYS A 20 80.970 2.191 -7.679 1.00 0.00 H new ATOM 0 HB2 CYS A 20 84.035 2.172 -7.436 1.00 0.00 H new ATOM 0 HB3 CYS A 20 83.055 3.595 -7.727 1.00 0.00 H new ATOM 278 N SER A 21 81.095 1.125 -10.022 1.00 0.00 N ATOM 279 CA SER A 21 81.223 0.857 -11.490 1.00 0.00 C ATOM 280 C SER A 21 80.711 2.018 -12.356 1.00 0.00 C ATOM 281 O SER A 21 81.491 2.794 -12.878 1.00 0.00 O ATOM 282 CB SER A 21 80.401 -0.408 -11.741 1.00 0.00 C ATOM 283 OG SER A 21 81.246 -1.545 -11.629 1.00 0.00 O ATOM 0 H SER A 21 80.164 0.976 -9.634 1.00 0.00 H new ATOM 0 HA SER A 21 82.271 0.739 -11.766 1.00 0.00 H new ATOM 0 HB2 SER A 21 79.585 -0.474 -11.021 1.00 0.00 H new ATOM 0 HB3 SER A 21 79.950 -0.372 -12.732 1.00 0.00 H new ATOM 0 HG SER A 21 81.460 -1.702 -10.686 1.00 0.00 H new ATOM 289 N ASN A 22 79.414 2.125 -12.544 1.00 0.00 N ATOM 290 CA ASN A 22 78.878 3.220 -13.416 1.00 0.00 C ATOM 291 C ASN A 22 77.734 3.992 -12.760 1.00 0.00 C ATOM 292 O ASN A 22 77.082 4.795 -13.404 1.00 0.00 O ATOM 293 CB ASN A 22 78.366 2.503 -14.659 1.00 0.00 C ATOM 294 CG ASN A 22 77.996 3.530 -15.729 1.00 0.00 C ATOM 295 OD1 ASN A 22 76.872 3.989 -15.786 1.00 0.00 O ATOM 296 ND2 ASN A 22 78.899 3.906 -16.589 1.00 0.00 N ATOM 0 H ASN A 22 78.711 1.508 -12.136 1.00 0.00 H new ATOM 0 HA ASN A 22 79.651 3.960 -13.624 1.00 0.00 H new ATOM 0 HB2 ASN A 22 79.130 1.825 -15.040 1.00 0.00 H new ATOM 0 HB3 ASN A 22 77.497 1.895 -14.408 1.00 0.00 H new ATOM 0 HD21 ASN A 22 78.663 4.586 -17.311 1.00 0.00 H new ATOM 0 HD22 ASN A 22 79.842 3.520 -16.540 1.00 0.00 H new ATOM 303 N GLY A 23 77.485 3.776 -11.503 1.00 0.00 N ATOM 304 CA GLY A 23 76.384 4.516 -10.823 1.00 0.00 C ATOM 305 C GLY A 23 76.817 5.968 -10.625 1.00 0.00 C ATOM 306 O GLY A 23 77.646 6.484 -11.350 1.00 0.00 O ATOM 0 H GLY A 23 77.995 3.119 -10.913 1.00 0.00 H new ATOM 0 HA2 GLY A 23 75.474 4.472 -11.421 1.00 0.00 H new ATOM 0 HA3 GLY A 23 76.157 4.055 -9.862 1.00 0.00 H new ATOM 310 N ASP A 24 76.280 6.613 -9.629 1.00 0.00 N ATOM 311 CA ASP A 24 76.670 8.027 -9.339 1.00 0.00 C ATOM 312 C ASP A 24 78.102 8.066 -8.804 1.00 0.00 C ATOM 313 O ASP A 24 78.871 8.946 -9.140 1.00 0.00 O ATOM 314 CB ASP A 24 75.690 8.497 -8.261 1.00 0.00 C ATOM 315 CG ASP A 24 74.288 8.647 -8.862 1.00 0.00 C ATOM 316 OD1 ASP A 24 74.197 8.930 -10.046 1.00 0.00 O ATOM 317 OD2 ASP A 24 73.330 8.474 -8.128 1.00 0.00 O1- ATOM 0 H ASP A 24 75.582 6.222 -8.997 1.00 0.00 H new ATOM 0 HA ASP A 24 76.633 8.659 -10.226 1.00 0.00 H new ATOM 0 HB2 ASP A 24 75.668 7.781 -7.439 1.00 0.00 H new ATOM 0 HB3 ASP A 24 76.021 9.449 -7.846 1.00 0.00 H new ATOM 322 N HIS A 25 78.459 7.126 -7.971 1.00 0.00 N ATOM 323 CA HIS A 25 79.843 7.109 -7.400 1.00 0.00 C ATOM 324 C HIS A 25 80.792 6.296 -8.291 1.00 0.00 C ATOM 325 O HIS A 25 81.960 6.156 -7.982 1.00 0.00 O ATOM 326 CB HIS A 25 79.727 6.426 -6.033 1.00 0.00 C ATOM 327 CG HIS A 25 78.619 7.039 -5.220 1.00 0.00 C ATOM 328 ND1 HIS A 25 78.675 8.335 -4.737 1.00 0.00 N ATOM 329 CD2 HIS A 25 77.417 6.532 -4.804 1.00 0.00 C ATOM 330 CE1 HIS A 25 77.533 8.563 -4.061 1.00 0.00 C ATOM 331 NE2 HIS A 25 76.729 7.496 -4.072 1.00 0.00 N ATOM 0 H HIS A 25 77.853 6.367 -7.659 1.00 0.00 H new ATOM 0 HA HIS A 25 80.243 8.120 -7.327 1.00 0.00 H new ATOM 0 HB2 HIS A 25 79.538 5.361 -6.169 1.00 0.00 H new ATOM 0 HB3 HIS A 25 80.671 6.516 -5.495 1.00 0.00 H new ATOM 0 HD2 HIS A 25 77.057 5.535 -5.012 1.00 0.00 H new ATOM 0 HE1 HIS A 25 77.296 9.495 -3.570 1.00 0.00 H new ATOM 0 HE2 HIS A 25 75.810 7.407 -3.638 1.00 0.00 H new ATOM 339 N GLY A 26 80.307 5.748 -9.386 1.00 0.00 N ATOM 340 CA GLY A 26 81.194 4.938 -10.274 1.00 0.00 C ATOM 341 C GLY A 26 82.381 5.777 -10.741 1.00 0.00 C ATOM 342 O GLY A 26 82.243 6.929 -11.105 1.00 0.00 O ATOM 0 H GLY A 26 79.339 5.829 -9.697 1.00 0.00 H new ATOM 0 HA2 GLY A 26 81.550 4.057 -9.739 1.00 0.00 H new ATOM 0 HA3 GLY A 26 80.630 4.581 -11.136 1.00 0.00 H new ATOM 346 N LEU A 27 83.542 5.188 -10.746 1.00 0.00 N ATOM 347 CA LEU A 27 84.763 5.912 -11.206 1.00 0.00 C ATOM 348 C LEU A 27 85.089 5.535 -12.662 1.00 0.00 C ATOM 349 O LEU A 27 85.991 6.084 -13.262 1.00 0.00 O ATOM 350 CB LEU A 27 85.875 5.442 -10.264 1.00 0.00 C ATOM 351 CG LEU A 27 85.518 5.815 -8.822 1.00 0.00 C ATOM 352 CD1 LEU A 27 86.506 5.149 -7.859 1.00 0.00 C ATOM 353 CD2 LEU A 27 85.586 7.336 -8.655 1.00 0.00 C ATOM 0 H LEU A 27 83.701 4.226 -10.448 1.00 0.00 H new ATOM 0 HA LEU A 27 84.638 6.995 -11.182 1.00 0.00 H new ATOM 0 HB2 LEU A 27 86.006 4.363 -10.350 1.00 0.00 H new ATOM 0 HB3 LEU A 27 86.822 5.902 -10.545 1.00 0.00 H new ATOM 0 HG LEU A 27 84.508 5.470 -8.599 1.00 0.00 H new ATOM 0 HD11 LEU A 27 86.250 5.416 -6.833 1.00 0.00 H new ATOM 0 HD12 LEU A 27 86.455 4.067 -7.976 1.00 0.00 H new ATOM 0 HD13 LEU A 27 87.517 5.490 -8.081 1.00 0.00 H new ATOM 0 HD21 LEU A 27 85.332 7.601 -7.629 1.00 0.00 H new ATOM 0 HD22 LEU A 27 86.595 7.682 -8.880 1.00 0.00 H new ATOM 0 HD23 LEU A 27 84.880 7.809 -9.337 1.00 0.00 H new ATOM 365 N MET A 28 84.359 4.601 -13.231 1.00 0.00 N ATOM 366 CA MET A 28 84.615 4.183 -14.643 1.00 0.00 C ATOM 367 C MET A 28 84.451 5.364 -15.602 1.00 0.00 C ATOM 368 O MET A 28 85.153 5.473 -16.589 1.00 0.00 O ATOM 369 CB MET A 28 83.562 3.111 -14.946 1.00 0.00 C ATOM 370 CG MET A 28 83.785 2.558 -16.356 1.00 0.00 C ATOM 371 SD MET A 28 82.504 1.338 -16.739 1.00 0.00 S ATOM 372 CE MET A 28 83.068 0.050 -15.602 1.00 0.00 C ATOM 0 H MET A 28 83.593 4.109 -12.771 1.00 0.00 H new ATOM 0 HA MET A 28 85.632 3.812 -14.770 1.00 0.00 H new ATOM 0 HB2 MET A 28 83.627 2.306 -14.214 1.00 0.00 H new ATOM 0 HB3 MET A 28 82.562 3.536 -14.865 1.00 0.00 H new ATOM 0 HG2 MET A 28 83.759 3.369 -17.084 1.00 0.00 H new ATOM 0 HG3 MET A 28 84.771 2.099 -16.426 1.00 0.00 H new ATOM 0 HE1 MET A 28 82.841 -0.930 -16.021 1.00 0.00 H new ATOM 0 HE2 MET A 28 84.144 0.141 -15.454 1.00 0.00 H new ATOM 0 HE3 MET A 28 82.560 0.162 -14.644 1.00 0.00 H new ATOM 382 N ALA A 29 83.497 6.224 -15.342 1.00 0.00 N ATOM 383 CA ALA A 29 83.243 7.380 -16.264 1.00 0.00 C ATOM 384 C ALA A 29 84.535 8.146 -16.588 1.00 0.00 C ATOM 385 O ALA A 29 85.073 8.029 -17.672 1.00 0.00 O ATOM 386 CB ALA A 29 82.263 8.282 -15.512 1.00 0.00 C ATOM 0 H ALA A 29 82.881 6.177 -14.530 1.00 0.00 H new ATOM 0 HA ALA A 29 82.848 7.040 -17.221 1.00 0.00 H new ATOM 0 HB1 ALA A 29 82.028 9.153 -16.124 1.00 0.00 H new ATOM 0 HB2 ALA A 29 81.348 7.729 -15.301 1.00 0.00 H new ATOM 0 HB3 ALA A 29 82.714 8.608 -14.575 1.00 0.00 H new ATOM 392 N GLN A 30 85.032 8.925 -15.659 1.00 0.00 N ATOM 393 CA GLN A 30 86.290 9.697 -15.916 1.00 0.00 C ATOM 394 C GLN A 30 87.489 8.752 -15.985 1.00 0.00 C ATOM 395 O GLN A 30 88.389 8.925 -16.785 1.00 0.00 O ATOM 396 CB GLN A 30 86.438 10.629 -14.716 1.00 0.00 C ATOM 397 CG GLN A 30 85.360 11.703 -14.772 1.00 0.00 C ATOM 398 CD GLN A 30 85.338 12.492 -13.456 1.00 0.00 C ATOM 399 OE1 GLN A 30 85.991 12.124 -12.498 1.00 0.00 O ATOM 400 NE2 GLN A 30 84.601 13.563 -13.366 1.00 0.00 N ATOM 0 H GLN A 30 84.623 9.060 -14.735 1.00 0.00 H new ATOM 0 HA GLN A 30 86.247 10.239 -16.861 1.00 0.00 H new ATOM 0 HB2 GLN A 30 86.354 10.062 -13.789 1.00 0.00 H new ATOM 0 HB3 GLN A 30 87.426 11.090 -14.719 1.00 0.00 H new ATOM 0 HG2 GLN A 30 85.550 12.377 -15.607 1.00 0.00 H new ATOM 0 HG3 GLN A 30 84.387 11.245 -14.947 1.00 0.00 H new ATOM 0 HE21 GLN A 30 84.053 13.874 -14.168 1.00 0.00 H new ATOM 0 HE22 GLN A 30 84.573 14.091 -12.494 1.00 0.00 H new ATOM 409 N TYR A 31 87.510 7.771 -15.124 1.00 0.00 N ATOM 410 CA TYR A 31 88.658 6.813 -15.090 1.00 0.00 C ATOM 411 C TYR A 31 88.139 5.391 -15.359 1.00 0.00 C ATOM 412 O TYR A 31 87.710 4.719 -14.443 1.00 0.00 O ATOM 413 CB TYR A 31 89.235 6.914 -13.664 1.00 0.00 C ATOM 414 CG TYR A 31 89.399 8.368 -13.261 1.00 0.00 C ATOM 415 CD1 TYR A 31 90.504 9.102 -13.706 1.00 0.00 C ATOM 416 CD2 TYR A 31 88.433 8.981 -12.453 1.00 0.00 C ATOM 417 CE1 TYR A 31 90.643 10.448 -13.344 1.00 0.00 C ATOM 418 CE2 TYR A 31 88.573 10.324 -12.088 1.00 0.00 C ATOM 419 CZ TYR A 31 89.678 11.059 -12.534 1.00 0.00 C ATOM 420 OH TYR A 31 89.815 12.385 -12.178 1.00 0.00 O ATOM 0 H TYR A 31 86.778 7.589 -14.438 1.00 0.00 H new ATOM 0 HA TYR A 31 89.414 7.039 -15.842 1.00 0.00 H new ATOM 0 HB2 TYR A 31 88.574 6.408 -12.961 1.00 0.00 H new ATOM 0 HB3 TYR A 31 90.198 6.406 -13.618 1.00 0.00 H new ATOM 0 HD1 TYR A 31 91.250 8.631 -14.329 1.00 0.00 H new ATOM 0 HD2 TYR A 31 87.579 8.416 -12.111 1.00 0.00 H new ATOM 0 HE1 TYR A 31 91.495 11.015 -13.690 1.00 0.00 H new ATOM 0 HE2 TYR A 31 87.829 10.794 -11.462 1.00 0.00 H new ATOM 0 HH TYR A 31 89.059 12.652 -11.615 1.00 0.00 H new ATOM 430 N PRO A 32 88.168 4.979 -16.609 1.00 0.00 N ATOM 431 CA PRO A 32 87.656 3.629 -16.959 1.00 0.00 C ATOM 432 C PRO A 32 88.575 2.526 -16.419 1.00 0.00 C ATOM 433 O PRO A 32 88.155 1.396 -16.245 1.00 0.00 O ATOM 434 CB PRO A 32 87.633 3.636 -18.486 1.00 0.00 C ATOM 435 CG PRO A 32 88.647 4.659 -18.881 1.00 0.00 C ATOM 436 CD PRO A 32 88.665 5.700 -17.793 1.00 0.00 C ATOM 0 HA PRO A 32 86.677 3.424 -16.525 1.00 0.00 H new ATOM 0 HB2 PRO A 32 87.884 2.655 -18.889 1.00 0.00 H new ATOM 0 HB3 PRO A 32 86.644 3.893 -18.865 1.00 0.00 H new ATOM 0 HG2 PRO A 32 89.631 4.203 -18.996 1.00 0.00 H new ATOM 0 HG3 PRO A 32 88.389 5.108 -19.840 1.00 0.00 H new ATOM 0 HD2 PRO A 32 89.669 6.092 -17.631 1.00 0.00 H new ATOM 0 HD3 PRO A 32 88.028 6.549 -18.041 1.00 0.00 H new ATOM 444 N THR A 33 89.818 2.839 -16.150 1.00 0.00 N ATOM 445 CA THR A 33 90.758 1.805 -15.617 1.00 0.00 C ATOM 446 C THR A 33 91.346 2.272 -14.284 1.00 0.00 C ATOM 447 O THR A 33 91.563 3.450 -14.069 1.00 0.00 O ATOM 448 CB THR A 33 91.854 1.677 -16.673 1.00 0.00 C ATOM 449 OG1 THR A 33 91.262 1.420 -17.939 1.00 0.00 O ATOM 450 CG2 THR A 33 92.788 0.524 -16.302 1.00 0.00 C ATOM 0 H THR A 33 90.223 3.767 -16.277 1.00 0.00 H new ATOM 0 HA THR A 33 90.263 0.851 -15.433 1.00 0.00 H new ATOM 0 HB THR A 33 92.425 2.604 -16.720 1.00 0.00 H new ATOM 0 HG1 THR A 33 91.964 1.339 -18.618 1.00 0.00 H new ATOM 0 HG21 THR A 33 93.570 0.433 -17.056 1.00 0.00 H new ATOM 0 HG22 THR A 33 93.241 0.721 -15.331 1.00 0.00 H new ATOM 0 HG23 THR A 33 92.219 -0.405 -16.255 1.00 0.00 H new ATOM 458 N LEU A 34 91.593 1.356 -13.383 1.00 0.00 N ATOM 459 CA LEU A 34 92.154 1.737 -12.049 1.00 0.00 C ATOM 460 C LEU A 34 93.596 2.237 -12.189 1.00 0.00 C ATOM 461 O LEU A 34 94.462 1.520 -12.656 1.00 0.00 O ATOM 462 CB LEU A 34 92.127 0.444 -11.223 1.00 0.00 C ATOM 463 CG LEU A 34 92.685 0.705 -9.816 1.00 0.00 C ATOM 464 CD1 LEU A 34 91.703 1.571 -9.020 1.00 0.00 C ATOM 465 CD2 LEU A 34 92.891 -0.632 -9.092 1.00 0.00 C ATOM 0 H LEU A 34 91.430 0.357 -13.513 1.00 0.00 H new ATOM 0 HA LEU A 34 91.582 2.541 -11.585 1.00 0.00 H new ATOM 0 HB2 LEU A 34 91.106 0.069 -11.154 1.00 0.00 H new ATOM 0 HB3 LEU A 34 92.717 -0.326 -11.720 1.00 0.00 H new ATOM 0 HG LEU A 34 93.638 1.227 -9.899 1.00 0.00 H new ATOM 0 HD11 LEU A 34 92.104 1.753 -8.023 1.00 0.00 H new ATOM 0 HD12 LEU A 34 91.559 2.522 -9.532 1.00 0.00 H new ATOM 0 HD13 LEU A 34 90.747 1.055 -8.938 1.00 0.00 H new ATOM 0 HD21 LEU A 34 93.287 -0.448 -8.093 1.00 0.00 H new ATOM 0 HD22 LEU A 34 91.937 -1.154 -9.014 1.00 0.00 H new ATOM 0 HD23 LEU A 34 93.595 -1.245 -9.654 1.00 0.00 H new ATOM 477 N GLY A 35 93.863 3.448 -11.778 1.00 0.00 N ATOM 478 CA GLY A 35 95.258 3.981 -11.876 1.00 0.00 C ATOM 479 C GLY A 35 95.250 5.512 -11.972 1.00 0.00 C ATOM 480 O GLY A 35 96.096 6.096 -12.624 1.00 0.00 O ATOM 0 H GLY A 35 93.179 4.091 -11.379 1.00 0.00 H new ATOM 0 HA2 GLY A 35 95.833 3.670 -11.004 1.00 0.00 H new ATOM 0 HA3 GLY A 35 95.753 3.560 -12.751 1.00 0.00 H new ATOM 484 N GLU A 36 94.317 6.170 -11.326 1.00 0.00 N ATOM 485 CA GLU A 36 94.278 7.658 -11.380 1.00 0.00 C ATOM 486 C GLU A 36 93.457 8.207 -10.209 1.00 0.00 C ATOM 487 O GLU A 36 93.862 9.148 -9.553 1.00 0.00 O ATOM 488 CB GLU A 36 93.625 7.982 -12.718 1.00 0.00 C ATOM 489 CG GLU A 36 93.846 9.461 -13.047 1.00 0.00 C ATOM 490 CD GLU A 36 93.468 9.746 -14.510 1.00 0.00 C ATOM 491 OE1 GLU A 36 93.257 8.800 -15.254 1.00 0.00 O1- ATOM 492 OE2 GLU A 36 93.412 10.913 -14.863 1.00 0.00 O ATOM 0 H GLU A 36 93.583 5.737 -10.765 1.00 0.00 H new ATOM 0 HA GLU A 36 95.267 8.109 -11.298 1.00 0.00 H new ATOM 0 HB2 GLU A 36 94.049 7.356 -13.503 1.00 0.00 H new ATOM 0 HB3 GLU A 36 92.558 7.763 -12.677 1.00 0.00 H new ATOM 0 HG2 GLU A 36 93.246 10.082 -12.382 1.00 0.00 H new ATOM 0 HG3 GLU A 36 94.889 9.726 -12.876 1.00 0.00 H new ATOM 499 N VAL A 37 92.318 7.616 -9.926 1.00 0.00 N ATOM 500 CA VAL A 37 91.490 8.098 -8.774 1.00 0.00 C ATOM 501 C VAL A 37 92.323 7.958 -7.472 1.00 0.00 C ATOM 502 O VAL A 37 92.633 8.951 -6.845 1.00 0.00 O ATOM 503 CB VAL A 37 90.214 7.220 -8.809 1.00 0.00 C ATOM 504 CG1 VAL A 37 89.539 7.152 -7.433 1.00 0.00 C ATOM 505 CG2 VAL A 37 89.231 7.821 -9.813 1.00 0.00 C ATOM 0 H VAL A 37 91.929 6.826 -10.440 1.00 0.00 H new ATOM 0 HA VAL A 37 91.205 9.149 -8.825 1.00 0.00 H new ATOM 0 HB VAL A 37 90.501 6.209 -9.099 1.00 0.00 H new ATOM 0 HG11 VAL A 37 88.648 6.528 -7.495 1.00 0.00 H new ATOM 0 HG12 VAL A 37 90.232 6.724 -6.709 1.00 0.00 H new ATOM 0 HG13 VAL A 37 89.257 8.156 -7.116 1.00 0.00 H new ATOM 0 HG21 VAL A 37 88.328 7.212 -9.847 1.00 0.00 H new ATOM 0 HG22 VAL A 37 88.973 8.835 -9.508 1.00 0.00 H new ATOM 0 HG23 VAL A 37 89.690 7.845 -10.801 1.00 0.00 H new ATOM 515 N PRO A 38 92.708 6.742 -7.133 1.00 0.00 N ATOM 516 CA PRO A 38 93.564 6.530 -5.934 1.00 0.00 C ATOM 517 C PRO A 38 95.013 6.905 -6.264 1.00 0.00 C ATOM 518 O PRO A 38 95.801 7.235 -5.400 1.00 0.00 O ATOM 519 CB PRO A 38 93.488 5.024 -5.702 1.00 0.00 C ATOM 520 CG PRO A 38 93.180 4.440 -7.039 1.00 0.00 C ATOM 521 CD PRO A 38 92.395 5.468 -7.804 1.00 0.00 C ATOM 0 HA PRO A 38 93.247 7.123 -5.076 1.00 0.00 H new ATOM 0 HB2 PRO A 38 94.429 4.638 -5.310 1.00 0.00 H new ATOM 0 HB3 PRO A 38 92.714 4.776 -4.976 1.00 0.00 H new ATOM 0 HG2 PRO A 38 94.098 4.185 -7.568 1.00 0.00 H new ATOM 0 HG3 PRO A 38 92.607 3.519 -6.933 1.00 0.00 H new ATOM 0 HD2 PRO A 38 92.686 5.490 -8.854 1.00 0.00 H new ATOM 0 HD3 PRO A 38 91.326 5.255 -7.774 1.00 0.00 H new ATOM 529 N GLY A 39 95.365 6.813 -7.521 1.00 0.00 N ATOM 530 CA GLY A 39 96.752 7.106 -7.966 1.00 0.00 C ATOM 531 C GLY A 39 97.217 5.899 -8.778 1.00 0.00 C ATOM 532 O GLY A 39 97.455 5.990 -9.965 1.00 0.00 O ATOM 0 H GLY A 39 94.730 6.540 -8.272 1.00 0.00 H new ATOM 0 HA2 GLY A 39 96.781 8.013 -8.570 1.00 0.00 H new ATOM 0 HA3 GLY A 39 97.406 7.272 -7.110 1.00 0.00 H new ATOM 536 N PHE A 40 97.274 4.753 -8.126 1.00 0.00 N ATOM 537 CA PHE A 40 97.649 3.447 -8.780 1.00 0.00 C ATOM 538 C PHE A 40 97.944 2.378 -7.684 1.00 0.00 C ATOM 539 O PHE A 40 97.137 1.487 -7.502 1.00 0.00 O ATOM 540 CB PHE A 40 98.841 3.698 -9.747 1.00 0.00 C ATOM 541 CG PHE A 40 99.533 2.395 -10.127 1.00 0.00 C ATOM 542 CD1 PHE A 40 98.771 1.250 -10.409 1.00 0.00 C ATOM 543 CD2 PHE A 40 100.931 2.336 -10.204 1.00 0.00 C ATOM 544 CE1 PHE A 40 99.406 0.054 -10.762 1.00 0.00 C ATOM 545 CE2 PHE A 40 101.564 1.138 -10.558 1.00 0.00 C ATOM 546 CZ PHE A 40 100.801 -0.003 -10.836 1.00 0.00 C ATOM 0 H PHE A 40 97.068 4.668 -7.131 1.00 0.00 H new ATOM 0 HA PHE A 40 96.828 3.050 -9.378 1.00 0.00 H new ATOM 0 HB2 PHE A 40 98.482 4.197 -10.647 1.00 0.00 H new ATOM 0 HB3 PHE A 40 99.559 4.369 -9.275 1.00 0.00 H new ATOM 0 HD1 PHE A 40 97.693 1.292 -10.353 1.00 0.00 H new ATOM 0 HD2 PHE A 40 101.521 3.215 -9.990 1.00 0.00 H new ATOM 0 HE1 PHE A 40 98.818 -0.826 -10.977 1.00 0.00 H new ATOM 0 HE2 PHE A 40 102.642 1.094 -10.617 1.00 0.00 H new ATOM 0 HZ PHE A 40 101.290 -0.927 -11.108 1.00 0.00 H new ATOM 556 N PRO A 41 99.067 2.477 -6.973 1.00 0.00 N ATOM 557 CA PRO A 41 99.365 1.471 -5.912 1.00 0.00 C ATOM 558 C PRO A 41 98.687 1.834 -4.579 1.00 0.00 C ATOM 559 O PRO A 41 98.995 1.254 -3.556 1.00 0.00 O ATOM 560 CB PRO A 41 100.871 1.587 -5.727 1.00 0.00 C ATOM 561 CG PRO A 41 101.207 2.990 -6.120 1.00 0.00 C ATOM 562 CD PRO A 41 100.146 3.473 -7.076 1.00 0.00 C ATOM 0 HA PRO A 41 99.013 0.478 -6.191 1.00 0.00 H new ATOM 0 HB2 PRO A 41 101.157 1.388 -4.694 1.00 0.00 H new ATOM 0 HB3 PRO A 41 101.401 0.866 -6.349 1.00 0.00 H new ATOM 0 HG2 PRO A 41 101.248 3.633 -5.240 1.00 0.00 H new ATOM 0 HG3 PRO A 41 102.190 3.029 -6.590 1.00 0.00 H new ATOM 0 HD2 PRO A 41 99.793 4.468 -6.806 1.00 0.00 H new ATOM 0 HD3 PRO A 41 100.530 3.537 -8.094 1.00 0.00 H new ATOM 570 N ASN A 42 97.797 2.796 -4.568 1.00 0.00 N ATOM 571 CA ASN A 42 97.140 3.198 -3.287 1.00 0.00 C ATOM 572 C ASN A 42 95.648 2.878 -3.342 1.00 0.00 C ATOM 573 O ASN A 42 94.822 3.602 -2.813 1.00 0.00 O ATOM 574 CB ASN A 42 97.365 4.711 -3.189 1.00 0.00 C ATOM 575 CG ASN A 42 98.867 5.013 -3.171 1.00 0.00 C ATOM 576 OD1 ASN A 42 99.426 5.424 -4.168 1.00 0.00 O ATOM 577 ND2 ASN A 42 99.547 4.829 -2.072 1.00 0.00 N ATOM 0 H ASN A 42 97.498 3.320 -5.391 1.00 0.00 H new ATOM 0 HA ASN A 42 97.546 2.669 -2.425 1.00 0.00 H new ATOM 0 HB2 ASN A 42 96.894 5.213 -4.034 1.00 0.00 H new ATOM 0 HB3 ASN A 42 96.896 5.100 -2.285 1.00 0.00 H new ATOM 0 HD21 ASN A 42 100.547 5.030 -2.051 1.00 0.00 H new ATOM 0 HD22 ASN A 42 99.079 4.484 -1.234 1.00 0.00 H new ATOM 584 N VAL A 43 95.303 1.794 -3.982 1.00 0.00 N ATOM 585 CA VAL A 43 93.871 1.403 -4.089 1.00 0.00 C ATOM 586 C VAL A 43 93.640 0.058 -3.398 1.00 0.00 C ATOM 587 O VAL A 43 94.479 -0.828 -3.432 1.00 0.00 O ATOM 588 CB VAL A 43 93.580 1.319 -5.593 1.00 0.00 C ATOM 589 CG1 VAL A 43 94.390 0.183 -6.240 1.00 0.00 C ATOM 590 CG2 VAL A 43 92.086 1.066 -5.792 1.00 0.00 C ATOM 0 H VAL A 43 95.958 1.159 -4.438 1.00 0.00 H new ATOM 0 HA VAL A 43 93.208 2.119 -3.602 1.00 0.00 H new ATOM 0 HB VAL A 43 93.868 2.257 -6.067 1.00 0.00 H new ATOM 0 HG11 VAL A 43 94.169 0.140 -7.307 1.00 0.00 H new ATOM 0 HG12 VAL A 43 95.455 0.368 -6.097 1.00 0.00 H new ATOM 0 HG13 VAL A 43 94.121 -0.766 -5.776 1.00 0.00 H new ATOM 0 HG21 VAL A 43 91.866 1.004 -6.858 1.00 0.00 H new ATOM 0 HG22 VAL A 43 91.808 0.129 -5.309 1.00 0.00 H new ATOM 0 HG23 VAL A 43 91.517 1.884 -5.351 1.00 0.00 H new ATOM 600 N GLY A 44 92.508 -0.088 -2.761 1.00 0.00 N ATOM 601 CA GLY A 44 92.206 -1.362 -2.053 1.00 0.00 C ATOM 602 C GLY A 44 90.737 -1.396 -1.651 1.00 0.00 C ATOM 603 O GLY A 44 90.061 -0.388 -1.645 1.00 0.00 O ATOM 0 H GLY A 44 91.779 0.623 -2.702 1.00 0.00 H new ATOM 0 HA2 GLY A 44 92.435 -2.210 -2.698 1.00 0.00 H new ATOM 0 HA3 GLY A 44 92.836 -1.455 -1.169 1.00 0.00 H new ATOM 607 N GLY A 45 90.261 -2.550 -1.265 1.00 0.00 N ATOM 608 CA GLY A 45 88.852 -2.664 -0.812 1.00 0.00 C ATOM 609 C GLY A 45 88.762 -2.021 0.563 1.00 0.00 C ATOM 610 O GLY A 45 89.725 -2.009 1.308 1.00 0.00 O ATOM 0 H GLY A 45 90.793 -3.420 -1.245 1.00 0.00 H new ATOM 0 HA2 GLY A 45 88.182 -2.166 -1.513 1.00 0.00 H new ATOM 0 HA3 GLY A 45 88.547 -3.709 -0.767 1.00 0.00 H new ATOM 614 N ILE A 46 87.624 -1.493 0.915 1.00 0.00 N ATOM 615 CA ILE A 46 87.481 -0.857 2.253 1.00 0.00 C ATOM 616 C ILE A 46 86.053 -1.125 2.800 1.00 0.00 C ATOM 617 O ILE A 46 85.104 -1.172 2.044 1.00 0.00 O ATOM 618 CB ILE A 46 87.783 0.649 2.038 1.00 0.00 C ATOM 619 CG1 ILE A 46 86.677 1.318 1.206 1.00 0.00 C ATOM 620 CG2 ILE A 46 89.130 0.833 1.327 1.00 0.00 C ATOM 621 CD1 ILE A 46 86.066 2.480 1.994 1.00 0.00 C ATOM 0 H ILE A 46 86.786 -1.474 0.334 1.00 0.00 H new ATOM 0 HA ILE A 46 88.166 -1.261 2.999 1.00 0.00 H new ATOM 0 HB ILE A 46 87.824 1.121 3.020 1.00 0.00 H new ATOM 0 HG12 ILE A 46 87.087 1.682 0.264 1.00 0.00 H new ATOM 0 HG13 ILE A 46 85.905 0.590 0.957 1.00 0.00 H new ATOM 0 HG21 ILE A 46 89.324 1.896 1.185 1.00 0.00 H new ATOM 0 HG22 ILE A 46 89.924 0.397 1.933 1.00 0.00 H new ATOM 0 HG23 ILE A 46 89.100 0.337 0.357 1.00 0.00 H new ATOM 0 HD11 ILE A 46 85.283 2.951 1.400 1.00 0.00 H new ATOM 0 HD12 ILE A 46 85.640 2.104 2.924 1.00 0.00 H new ATOM 0 HD13 ILE A 46 86.840 3.213 2.220 1.00 0.00 H new ATOM 633 N PRO A 47 85.958 -1.341 4.099 1.00 0.00 N ATOM 634 CA PRO A 47 84.646 -1.665 4.765 1.00 0.00 C ATOM 635 C PRO A 47 83.565 -0.575 4.648 1.00 0.00 C ATOM 636 O PRO A 47 82.419 -0.830 4.973 1.00 0.00 O ATOM 637 CB PRO A 47 85.041 -1.830 6.236 1.00 0.00 C ATOM 638 CG PRO A 47 86.297 -1.049 6.367 1.00 0.00 C ATOM 639 CD PRO A 47 87.044 -1.308 5.096 1.00 0.00 C ATOM 0 HA PRO A 47 84.191 -2.536 4.293 1.00 0.00 H new ATOM 0 HB2 PRO A 47 84.265 -1.451 6.901 1.00 0.00 H new ATOM 0 HB3 PRO A 47 85.196 -2.878 6.491 1.00 0.00 H new ATOM 0 HG2 PRO A 47 86.090 0.014 6.495 1.00 0.00 H new ATOM 0 HG3 PRO A 47 86.872 -1.368 7.236 1.00 0.00 H new ATOM 0 HD2 PRO A 47 87.769 -0.523 4.883 1.00 0.00 H new ATOM 0 HD3 PRO A 47 87.594 -2.249 5.131 1.00 0.00 H new ATOM 647 N ASP A 48 83.887 0.628 4.235 1.00 0.00 N ATOM 648 CA ASP A 48 82.822 1.686 4.170 1.00 0.00 C ATOM 649 C ASP A 48 82.165 1.761 2.785 1.00 0.00 C ATOM 650 O ASP A 48 81.526 2.741 2.454 1.00 0.00 O ATOM 651 CB ASP A 48 83.512 3.004 4.536 1.00 0.00 C ATOM 652 CG ASP A 48 83.886 3.007 6.023 1.00 0.00 C ATOM 653 OD1 ASP A 48 83.295 2.246 6.774 1.00 0.00 O1- ATOM 654 OD2 ASP A 48 84.759 3.778 6.388 1.00 0.00 O ATOM 0 H ASP A 48 84.820 0.922 3.945 1.00 0.00 H new ATOM 0 HA ASP A 48 82.009 1.458 4.860 1.00 0.00 H new ATOM 0 HB2 ASP A 48 84.407 3.136 3.928 1.00 0.00 H new ATOM 0 HB3 ASP A 48 82.851 3.843 4.317 1.00 0.00 H new ATOM 659 N ILE A 49 82.272 0.722 1.998 1.00 0.00 N ATOM 660 CA ILE A 49 81.606 0.722 0.658 1.00 0.00 C ATOM 661 C ILE A 49 80.581 -0.417 0.609 1.00 0.00 C ATOM 662 O ILE A 49 80.874 -1.547 0.951 1.00 0.00 O ATOM 663 CB ILE A 49 82.734 0.570 -0.367 1.00 0.00 C ATOM 664 CG1 ILE A 49 83.653 1.790 -0.232 1.00 0.00 C ATOM 665 CG2 ILE A 49 82.155 0.498 -1.785 1.00 0.00 C ATOM 666 CD1 ILE A 49 84.793 1.740 -1.255 1.00 0.00 C ATOM 0 H ILE A 49 82.791 -0.127 2.224 1.00 0.00 H new ATOM 0 HA ILE A 49 81.050 1.635 0.447 1.00 0.00 H new ATOM 0 HB ILE A 49 83.292 -0.349 -0.185 1.00 0.00 H new ATOM 0 HG12 ILE A 49 83.074 2.702 -0.373 1.00 0.00 H new ATOM 0 HG13 ILE A 49 84.066 1.828 0.776 1.00 0.00 H new ATOM 0 HG21 ILE A 49 82.967 0.390 -2.504 1.00 0.00 H new ATOM 0 HG22 ILE A 49 81.486 -0.359 -1.862 1.00 0.00 H new ATOM 0 HG23 ILE A 49 81.600 1.412 -1.998 1.00 0.00 H new ATOM 0 HD11 ILE A 49 85.428 2.618 -1.135 1.00 0.00 H new ATOM 0 HD12 ILE A 49 85.385 0.839 -1.096 1.00 0.00 H new ATOM 0 HD13 ILE A 49 84.377 1.728 -2.263 1.00 0.00 H new ATOM 678 N ALA A 50 79.360 -0.100 0.244 1.00 0.00 N ATOM 679 CA ALA A 50 78.274 -1.131 0.235 1.00 0.00 C ATOM 680 C ALA A 50 78.240 -1.967 -1.040 1.00 0.00 C ATOM 681 O ALA A 50 78.096 -3.176 -0.969 1.00 0.00 O ATOM 682 CB ALA A 50 76.978 -0.331 0.373 1.00 0.00 C ATOM 0 H ALA A 50 79.069 0.833 -0.049 1.00 0.00 H new ATOM 0 HA ALA A 50 78.431 -1.851 1.038 1.00 0.00 H new ATOM 0 HB1 ALA A 50 76.128 -1.013 0.375 1.00 0.00 H new ATOM 0 HB2 ALA A 50 76.995 0.231 1.307 1.00 0.00 H new ATOM 0 HB3 ALA A 50 76.886 0.360 -0.465 1.00 0.00 H new ATOM 688 N GLY A 51 78.346 -1.365 -2.198 1.00 0.00 N ATOM 689 CA GLY A 51 78.288 -2.193 -3.435 1.00 0.00 C ATOM 690 C GLY A 51 78.307 -1.337 -4.706 1.00 0.00 C ATOM 691 O GLY A 51 79.020 -0.361 -4.817 1.00 0.00 O ATOM 0 H GLY A 51 78.467 -0.362 -2.337 1.00 0.00 H new ATOM 0 HA2 GLY A 51 79.133 -2.881 -3.450 1.00 0.00 H new ATOM 0 HA3 GLY A 51 77.383 -2.800 -3.422 1.00 0.00 H new ATOM 695 N TRP A 52 77.531 -1.749 -5.677 1.00 0.00 N ATOM 696 CA TRP A 52 77.456 -1.057 -7.006 1.00 0.00 C ATOM 697 C TRP A 52 77.482 0.477 -6.923 1.00 0.00 C ATOM 698 O TRP A 52 77.949 1.125 -7.847 1.00 0.00 O ATOM 699 CB TRP A 52 76.122 -1.503 -7.606 1.00 0.00 C ATOM 700 CG TRP A 52 76.080 -1.082 -9.042 1.00 0.00 C ATOM 701 CD1 TRP A 52 76.809 -1.643 -10.035 1.00 0.00 C ATOM 702 CD2 TRP A 52 75.298 -0.019 -9.659 1.00 0.00 C ATOM 703 NE1 TRP A 52 76.525 -0.990 -11.223 1.00 0.00 N ATOM 704 CE2 TRP A 52 75.598 0.017 -11.042 1.00 0.00 C ATOM 705 CE3 TRP A 52 74.367 0.908 -9.159 1.00 0.00 C ATOM 706 CZ2 TRP A 52 74.996 0.939 -11.896 1.00 0.00 C ATOM 707 CZ3 TRP A 52 73.759 1.839 -10.016 1.00 0.00 C ATOM 708 CH2 TRP A 52 74.074 1.853 -11.383 1.00 0.00 C ATOM 0 H TRP A 52 76.924 -2.565 -5.602 1.00 0.00 H new ATOM 0 HA TRP A 52 78.330 -1.323 -7.600 1.00 0.00 H new ATOM 0 HB2 TRP A 52 76.014 -2.585 -7.526 1.00 0.00 H new ATOM 0 HB3 TRP A 52 75.292 -1.058 -7.057 1.00 0.00 H new ATOM 0 HD1 TRP A 52 77.499 -2.465 -9.920 1.00 0.00 H new ATOM 0 HE1 TRP A 52 76.948 -1.224 -12.121 1.00 0.00 H new ATOM 0 HE3 TRP A 52 74.118 0.904 -8.108 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 75.241 0.946 -12.948 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 73.046 2.547 -9.621 1.00 0.00 H new ATOM 0 HH2 TRP A 52 73.603 2.571 -12.038 1.00 0.00 H new ATOM 719 N ASP A 53 76.986 1.072 -5.863 1.00 0.00 N ATOM 720 CA ASP A 53 76.989 2.564 -5.792 1.00 0.00 C ATOM 721 C ASP A 53 77.191 3.053 -4.354 1.00 0.00 C ATOM 722 O ASP A 53 76.317 3.670 -3.770 1.00 0.00 O ATOM 723 CB ASP A 53 75.606 2.973 -6.305 1.00 0.00 C ATOM 724 CG ASP A 53 75.625 4.440 -6.742 1.00 0.00 C ATOM 725 OD1 ASP A 53 76.683 4.917 -7.120 1.00 0.00 O ATOM 726 OD2 ASP A 53 74.578 5.064 -6.690 1.00 0.00 O1- ATOM 0 H ASP A 53 76.585 0.595 -5.056 1.00 0.00 H new ATOM 0 HA ASP A 53 77.801 2.997 -6.376 1.00 0.00 H new ATOM 0 HB2 ASP A 53 75.317 2.339 -7.143 1.00 0.00 H new ATOM 0 HB3 ASP A 53 74.861 2.827 -5.523 1.00 0.00 H new ATOM 731 N SER A 54 78.327 2.771 -3.777 1.00 0.00 N ATOM 732 CA SER A 54 78.583 3.206 -2.368 1.00 0.00 C ATOM 733 C SER A 54 78.657 4.738 -2.273 1.00 0.00 C ATOM 734 O SER A 54 79.238 5.373 -3.130 1.00 0.00 O ATOM 735 CB SER A 54 79.929 2.592 -1.997 1.00 0.00 C ATOM 736 OG SER A 54 80.459 3.266 -0.863 1.00 0.00 O ATOM 0 H SER A 54 79.091 2.258 -4.218 1.00 0.00 H new ATOM 0 HA SER A 54 77.784 2.887 -1.699 1.00 0.00 H new ATOM 0 HB2 SER A 54 79.809 1.531 -1.780 1.00 0.00 H new ATOM 0 HB3 SER A 54 80.620 2.670 -2.836 1.00 0.00 H new ATOM 0 HG SER A 54 81.238 3.797 -1.132 1.00 0.00 H new ATOM 742 N PRO A 55 78.076 5.293 -1.226 1.00 0.00 N ATOM 743 CA PRO A 55 78.108 6.760 -1.050 1.00 0.00 C ATOM 744 C PRO A 55 79.473 7.211 -0.513 1.00 0.00 C ATOM 745 O PRO A 55 79.848 8.361 -0.637 1.00 0.00 O ATOM 746 CB PRO A 55 77.002 7.031 -0.035 1.00 0.00 C ATOM 747 CG PRO A 55 76.845 5.758 0.736 1.00 0.00 C ATOM 748 CD PRO A 55 77.350 4.628 -0.129 1.00 0.00 C ATOM 0 HA PRO A 55 77.959 7.303 -1.983 1.00 0.00 H new ATOM 0 HB2 PRO A 55 77.268 7.858 0.623 1.00 0.00 H new ATOM 0 HB3 PRO A 55 76.072 7.306 -0.532 1.00 0.00 H new ATOM 0 HG2 PRO A 55 77.407 5.805 1.669 1.00 0.00 H new ATOM 0 HG3 PRO A 55 75.800 5.598 1.001 1.00 0.00 H new ATOM 0 HD2 PRO A 55 78.005 3.961 0.432 1.00 0.00 H new ATOM 0 HD3 PRO A 55 76.528 4.022 -0.509 1.00 0.00 H new ATOM 756 N SER A 56 80.214 6.309 0.089 1.00 0.00 N ATOM 757 CA SER A 56 81.552 6.673 0.644 1.00 0.00 C ATOM 758 C SER A 56 82.669 6.405 -0.376 1.00 0.00 C ATOM 759 O SER A 56 83.834 6.429 -0.034 1.00 0.00 O ATOM 760 CB SER A 56 81.725 5.774 1.866 1.00 0.00 C ATOM 761 OG SER A 56 80.598 5.913 2.718 1.00 0.00 O ATOM 0 H SER A 56 79.946 5.334 0.219 1.00 0.00 H new ATOM 0 HA SER A 56 81.610 7.733 0.892 1.00 0.00 H new ATOM 0 HB2 SER A 56 81.833 4.735 1.554 1.00 0.00 H new ATOM 0 HB3 SER A 56 82.635 6.042 2.402 1.00 0.00 H new ATOM 0 HG SER A 56 80.707 5.335 3.502 1.00 0.00 H new ATOM 767 N CYS A 57 82.332 6.138 -1.616 1.00 0.00 N ATOM 768 CA CYS A 57 83.396 5.871 -2.633 1.00 0.00 C ATOM 769 C CYS A 57 84.163 7.162 -2.931 1.00 0.00 C ATOM 770 O CYS A 57 83.600 8.240 -2.941 1.00 0.00 O ATOM 771 CB CYS A 57 82.659 5.387 -3.881 1.00 0.00 C ATOM 772 SG CYS A 57 83.805 4.494 -4.962 1.00 0.00 S ATOM 0 H CYS A 57 81.374 6.094 -1.965 1.00 0.00 H new ATOM 0 HA CYS A 57 84.120 5.134 -2.286 1.00 0.00 H new ATOM 0 HB2 CYS A 57 81.831 4.737 -3.597 1.00 0.00 H new ATOM 0 HB3 CYS A 57 82.229 6.236 -4.413 1.00 0.00 H new ATOM 777 N GLY A 58 85.442 7.055 -3.184 1.00 0.00 N ATOM 778 CA GLY A 58 86.254 8.266 -3.496 1.00 0.00 C ATOM 779 C GLY A 58 86.610 9.004 -2.205 1.00 0.00 C ATOM 780 O GLY A 58 86.561 10.219 -2.145 1.00 0.00 O ATOM 0 H GLY A 58 85.960 6.176 -3.188 1.00 0.00 H new ATOM 0 HA2 GLY A 58 87.164 7.978 -4.023 1.00 0.00 H new ATOM 0 HA3 GLY A 58 85.697 8.926 -4.160 1.00 0.00 H new ATOM 784 N THR A 59 86.973 8.284 -1.173 1.00 0.00 N ATOM 785 CA THR A 59 87.339 8.948 0.115 1.00 0.00 C ATOM 786 C THR A 59 88.783 8.610 0.501 1.00 0.00 C ATOM 787 O THR A 59 89.206 7.472 0.489 1.00 0.00 O ATOM 788 CB THR A 59 86.341 8.420 1.148 1.00 0.00 C ATOM 789 OG1 THR A 59 85.026 8.763 0.738 1.00 0.00 O ATOM 790 CG2 THR A 59 86.621 9.050 2.513 1.00 0.00 C ATOM 0 H THR A 59 87.032 7.266 -1.167 1.00 0.00 H new ATOM 0 HA THR A 59 87.290 10.035 0.045 1.00 0.00 H new ATOM 0 HB THR A 59 86.440 7.337 1.225 1.00 0.00 H new ATOM 0 HG1 THR A 59 84.580 7.970 0.373 1.00 0.00 H new ATOM 0 HG21 THR A 59 85.907 8.669 3.243 1.00 0.00 H new ATOM 0 HG22 THR A 59 87.633 8.797 2.830 1.00 0.00 H new ATOM 0 HG23 THR A 59 86.523 10.133 2.441 1.00 0.00 H new ATOM 798 N CYS A 60 89.537 9.628 0.812 1.00 0.00 N ATOM 799 CA CYS A 60 90.978 9.454 1.176 1.00 0.00 C ATOM 800 C CYS A 60 91.141 9.027 2.643 1.00 0.00 C ATOM 801 O CYS A 60 90.431 9.491 3.514 1.00 0.00 O ATOM 802 CB CYS A 60 91.581 10.851 0.975 1.00 0.00 C ATOM 803 SG CYS A 60 93.361 10.819 1.315 1.00 0.00 S ATOM 0 H CYS A 60 89.211 10.594 0.830 1.00 0.00 H new ATOM 0 HA CYS A 60 91.457 8.680 0.576 1.00 0.00 H new ATOM 0 HB2 CYS A 60 91.404 11.188 -0.047 1.00 0.00 H new ATOM 0 HB3 CYS A 60 91.090 11.566 1.636 1.00 0.00 H new ATOM 808 N TRP A 61 92.096 8.173 2.918 1.00 0.00 N ATOM 809 CA TRP A 61 92.341 7.741 4.329 1.00 0.00 C ATOM 810 C TRP A 61 93.825 7.488 4.560 1.00 0.00 C ATOM 811 O TRP A 61 94.559 7.172 3.642 1.00 0.00 O ATOM 812 CB TRP A 61 91.602 6.424 4.504 1.00 0.00 C ATOM 813 CG TRP A 61 90.155 6.666 4.727 1.00 0.00 C ATOM 814 CD1 TRP A 61 89.237 6.688 3.753 1.00 0.00 C ATOM 815 CD2 TRP A 61 89.443 6.913 5.974 1.00 0.00 C ATOM 816 NE1 TRP A 61 87.989 6.873 4.314 1.00 0.00 N ATOM 817 CE2 TRP A 61 88.066 7.045 5.682 1.00 0.00 C ATOM 818 CE3 TRP A 61 89.852 7.025 7.315 1.00 0.00 C ATOM 819 CZ2 TRP A 61 87.125 7.280 6.685 1.00 0.00 C ATOM 820 CZ3 TRP A 61 88.909 7.267 8.327 1.00 0.00 C ATOM 821 CH2 TRP A 61 87.548 7.394 8.013 1.00 0.00 C ATOM 0 H TRP A 61 92.717 7.756 2.225 1.00 0.00 H new ATOM 0 HA TRP A 61 92.006 8.508 5.027 1.00 0.00 H new ATOM 0 HB2 TRP A 61 91.741 5.802 3.620 1.00 0.00 H new ATOM 0 HB3 TRP A 61 92.019 5.875 5.348 1.00 0.00 H new ATOM 0 HD1 TRP A 61 89.440 6.579 2.698 1.00 0.00 H new ATOM 0 HE1 TRP A 61 87.118 6.882 3.784 1.00 0.00 H new ATOM 0 HE3 TRP A 61 90.897 6.924 7.568 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 86.078 7.373 6.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 89.234 7.356 9.353 1.00 0.00 H new ATOM 0 HH2 TRP A 61 86.828 7.580 8.796 1.00 0.00 H new ATOM 832 N LYS A 62 94.262 7.586 5.783 1.00 0.00 N ATOM 833 CA LYS A 62 95.688 7.310 6.101 1.00 0.00 C ATOM 834 C LYS A 62 95.739 6.060 6.983 1.00 0.00 C ATOM 835 O LYS A 62 95.012 5.958 7.954 1.00 0.00 O ATOM 836 CB LYS A 62 96.173 8.548 6.858 1.00 0.00 C ATOM 837 CG LYS A 62 97.659 8.407 7.185 1.00 0.00 C ATOM 838 CD LYS A 62 98.132 9.652 7.940 1.00 0.00 C ATOM 839 CE LYS A 62 99.619 9.515 8.271 1.00 0.00 C ATOM 840 NZ LYS A 62 99.984 10.796 8.939 1.00 0.00 N1+ ATOM 0 H LYS A 62 93.686 7.848 6.583 1.00 0.00 H new ATOM 0 HA LYS A 62 96.310 7.128 5.225 1.00 0.00 H new ATOM 0 HB2 LYS A 62 96.007 9.441 6.256 1.00 0.00 H new ATOM 0 HB3 LYS A 62 95.599 8.671 7.777 1.00 0.00 H new ATOM 0 HG2 LYS A 62 97.827 7.516 7.789 1.00 0.00 H new ATOM 0 HG3 LYS A 62 98.235 8.283 6.268 1.00 0.00 H new ATOM 0 HD2 LYS A 62 97.964 10.543 7.335 1.00 0.00 H new ATOM 0 HD3 LYS A 62 97.555 9.776 8.856 1.00 0.00 H new ATOM 0 HE2 LYS A 62 99.801 8.663 8.926 1.00 0.00 H new ATOM 0 HE3 LYS A 62 100.211 9.357 7.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 100.991 10.778 9.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 99.807 11.589 8.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 99.409 10.916 9.797 1.00 0.00 H new ATOM 854 N VAL A 63 96.566 5.102 6.646 1.00 0.00 N ATOM 855 CA VAL A 63 96.630 3.849 7.463 1.00 0.00 C ATOM 856 C VAL A 63 97.951 3.799 8.226 1.00 0.00 C ATOM 857 O VAL A 63 99.006 4.009 7.665 1.00 0.00 O ATOM 858 CB VAL A 63 96.535 2.701 6.450 1.00 0.00 C ATOM 859 CG1 VAL A 63 96.582 1.357 7.183 1.00 0.00 C ATOM 860 CG2 VAL A 63 95.219 2.809 5.674 1.00 0.00 C ATOM 0 H VAL A 63 97.197 5.132 5.845 1.00 0.00 H new ATOM 0 HA VAL A 63 95.832 3.791 8.203 1.00 0.00 H new ATOM 0 HB VAL A 63 97.374 2.765 5.758 1.00 0.00 H new ATOM 0 HG11 VAL A 63 96.514 0.545 6.459 1.00 0.00 H new ATOM 0 HG12 VAL A 63 97.519 1.275 7.733 1.00 0.00 H new ATOM 0 HG13 VAL A 63 95.746 1.293 7.879 1.00 0.00 H new ATOM 0 HG21 VAL A 63 95.153 1.993 4.955 1.00 0.00 H new ATOM 0 HG22 VAL A 63 94.381 2.749 6.369 1.00 0.00 H new ATOM 0 HG23 VAL A 63 95.185 3.762 5.146 1.00 0.00 H new ATOM 870 N THR A 64 97.889 3.558 9.512 1.00 0.00 N ATOM 871 CA THR A 64 99.126 3.528 10.348 1.00 0.00 C ATOM 872 C THR A 64 99.302 2.174 11.039 1.00 0.00 C ATOM 873 O THR A 64 98.346 1.573 11.500 1.00 0.00 O ATOM 874 CB THR A 64 98.886 4.614 11.400 1.00 0.00 C ATOM 875 OG1 THR A 64 98.483 5.814 10.755 1.00 0.00 O ATOM 876 CG2 THR A 64 100.174 4.862 12.187 1.00 0.00 C ATOM 0 H THR A 64 97.024 3.379 10.022 1.00 0.00 H new ATOM 0 HA THR A 64 100.024 3.688 9.751 1.00 0.00 H new ATOM 0 HB THR A 64 98.104 4.289 12.086 1.00 0.00 H new ATOM 0 HG1 THR A 64 98.327 6.510 11.427 1.00 0.00 H new ATOM 0 HG21 THR A 64 100.000 5.635 12.935 1.00 0.00 H new ATOM 0 HG22 THR A 64 100.481 3.941 12.682 1.00 0.00 H new ATOM 0 HG23 THR A 64 100.960 5.187 11.505 1.00 0.00 H new ATOM 884 N ILE A 65 100.520 1.692 11.121 1.00 0.00 N ATOM 885 CA ILE A 65 100.765 0.374 11.787 1.00 0.00 C ATOM 886 C ILE A 65 101.671 0.566 13.023 1.00 0.00 C ATOM 887 O ILE A 65 102.291 1.600 13.172 1.00 0.00 O ATOM 888 CB ILE A 65 101.437 -0.500 10.718 1.00 0.00 C ATOM 889 CG1 ILE A 65 102.735 0.164 10.244 1.00 0.00 C ATOM 890 CG2 ILE A 65 100.492 -0.666 9.527 1.00 0.00 C ATOM 891 CD1 ILE A 65 103.665 -0.898 9.654 1.00 0.00 C ATOM 0 H ILE A 65 101.353 2.154 10.756 1.00 0.00 H new ATOM 0 HA ILE A 65 99.848 -0.090 12.150 1.00 0.00 H new ATOM 0 HB ILE A 65 101.665 -1.476 11.146 1.00 0.00 H new ATOM 0 HG12 ILE A 65 102.514 0.926 9.496 1.00 0.00 H new ATOM 0 HG13 ILE A 65 103.224 0.668 11.078 1.00 0.00 H new ATOM 0 HG21 ILE A 65 100.969 -1.286 8.768 1.00 0.00 H new ATOM 0 HG22 ILE A 65 99.569 -1.143 9.858 1.00 0.00 H new ATOM 0 HG23 ILE A 65 100.263 0.313 9.105 1.00 0.00 H new ATOM 0 HD11 ILE A 65 104.588 -0.426 9.317 1.00 0.00 H new ATOM 0 HD12 ILE A 65 103.895 -1.643 10.415 1.00 0.00 H new ATOM 0 HD13 ILE A 65 103.175 -1.382 8.809 1.00 0.00 H new ATOM 903 N PRO A 66 101.699 -0.431 13.890 1.00 0.00 N ATOM 904 CA PRO A 66 102.513 -0.346 15.142 1.00 0.00 C ATOM 905 C PRO A 66 104.015 -0.207 14.858 1.00 0.00 C ATOM 906 O PRO A 66 104.751 0.323 15.669 1.00 0.00 O ATOM 907 CB PRO A 66 102.215 -1.672 15.848 1.00 0.00 C ATOM 908 CG PRO A 66 101.775 -2.587 14.759 1.00 0.00 C ATOM 909 CD PRO A 66 100.999 -1.727 13.805 1.00 0.00 C ATOM 0 HA PRO A 66 102.260 0.533 15.735 1.00 0.00 H new ATOM 0 HB2 PRO A 66 103.099 -2.057 16.357 1.00 0.00 H new ATOM 0 HB3 PRO A 66 101.439 -1.553 16.604 1.00 0.00 H new ATOM 0 HG2 PRO A 66 102.630 -3.049 14.265 1.00 0.00 H new ATOM 0 HG3 PRO A 66 101.157 -3.395 15.151 1.00 0.00 H new ATOM 0 HD2 PRO A 66 101.015 -2.130 12.792 1.00 0.00 H new ATOM 0 HD3 PRO A 66 99.952 -1.641 14.097 1.00 0.00 H new ATOM 917 N ASN A 67 104.472 -0.668 13.723 1.00 0.00 N ATOM 918 CA ASN A 67 105.930 -0.550 13.398 1.00 0.00 C ATOM 919 C ASN A 67 106.312 0.928 13.265 1.00 0.00 C ATOM 920 O ASN A 67 107.364 1.355 13.701 1.00 0.00 O ATOM 921 CB ASN A 67 106.109 -1.276 12.065 1.00 0.00 C ATOM 922 CG ASN A 67 107.601 -1.400 11.748 1.00 0.00 C ATOM 923 OD1 ASN A 67 108.422 -1.443 12.643 1.00 0.00 O ATOM 924 ND2 ASN A 67 107.988 -1.460 10.504 1.00 0.00 N ATOM 0 H ASN A 67 103.903 -1.120 13.007 1.00 0.00 H new ATOM 0 HA ASN A 67 106.564 -0.979 14.174 1.00 0.00 H new ATOM 0 HB2 ASN A 67 105.653 -2.265 12.113 1.00 0.00 H new ATOM 0 HB3 ASN A 67 105.602 -0.730 11.270 1.00 0.00 H new ATOM 0 HD21 ASN A 67 108.980 -1.543 10.282 1.00 0.00 H new ATOM 0 HD22 ASN A 67 107.299 -1.424 9.753 1.00 0.00 H new ATOM 931 N GLY A 68 105.442 1.702 12.678 1.00 0.00 N ATOM 932 CA GLY A 68 105.715 3.161 12.519 1.00 0.00 C ATOM 933 C GLY A 68 105.809 3.521 11.038 1.00 0.00 C ATOM 934 O GLY A 68 106.827 3.994 10.568 1.00 0.00 O ATOM 0 H GLY A 68 104.549 1.387 12.299 1.00 0.00 H new ATOM 0 HA2 GLY A 68 104.922 3.741 12.992 1.00 0.00 H new ATOM 0 HA3 GLY A 68 106.645 3.422 13.024 1.00 0.00 H new ATOM 938 N ASN A 69 104.748 3.320 10.310 1.00 0.00 N ATOM 939 CA ASN A 69 104.743 3.664 8.860 1.00 0.00 C ATOM 940 C ASN A 69 103.299 3.789 8.384 1.00 0.00 C ATOM 941 O ASN A 69 102.406 3.183 8.952 1.00 0.00 O ATOM 942 CB ASN A 69 105.449 2.503 8.162 1.00 0.00 C ATOM 943 CG ASN A 69 105.899 2.948 6.769 1.00 0.00 C ATOM 944 OD1 ASN A 69 106.193 4.107 6.554 1.00 0.00 O ATOM 945 ND2 ASN A 69 105.961 2.070 5.805 1.00 0.00 N ATOM 0 H ASN A 69 103.874 2.928 10.660 1.00 0.00 H new ATOM 0 HA ASN A 69 105.243 4.609 8.648 1.00 0.00 H new ATOM 0 HB2 ASN A 69 106.309 2.180 8.749 1.00 0.00 H new ATOM 0 HB3 ASN A 69 104.777 1.648 8.084 1.00 0.00 H new ATOM 0 HD21 ASN A 69 106.256 2.357 4.872 1.00 0.00 H new ATOM 0 HD22 ASN A 69 105.714 1.097 5.985 1.00 0.00 H new ATOM 952 N SER A 70 103.052 4.571 7.363 1.00 0.00 N ATOM 953 CA SER A 70 101.649 4.725 6.885 1.00 0.00 C ATOM 954 C SER A 70 101.575 5.037 5.390 1.00 0.00 C ATOM 955 O SER A 70 102.510 5.521 4.782 1.00 0.00 O ATOM 956 CB SER A 70 101.078 5.883 7.701 1.00 0.00 C ATOM 957 OG SER A 70 101.750 7.084 7.344 1.00 0.00 O ATOM 0 H SER A 70 103.753 5.102 6.847 1.00 0.00 H new ATOM 0 HA SER A 70 101.089 3.799 7.017 1.00 0.00 H new ATOM 0 HB2 SER A 70 100.009 5.982 7.515 1.00 0.00 H new ATOM 0 HB3 SER A 70 101.200 5.687 8.766 1.00 0.00 H new ATOM 0 HG SER A 70 101.768 7.690 8.114 1.00 0.00 H new ATOM 963 N ILE A 71 100.435 4.764 4.813 1.00 0.00 N ATOM 964 CA ILE A 71 100.196 5.027 3.365 1.00 0.00 C ATOM 965 C ILE A 71 98.777 5.572 3.207 1.00 0.00 C ATOM 966 O ILE A 71 97.976 5.462 4.117 1.00 0.00 O ATOM 967 CB ILE A 71 100.328 3.668 2.659 1.00 0.00 C ATOM 968 CG1 ILE A 71 99.338 2.663 3.259 1.00 0.00 C ATOM 969 CG2 ILE A 71 101.751 3.137 2.817 1.00 0.00 C ATOM 970 CD1 ILE A 71 99.303 1.404 2.392 1.00 0.00 C ATOM 0 H ILE A 71 99.637 4.358 5.301 1.00 0.00 H new ATOM 0 HA ILE A 71 100.896 5.749 2.946 1.00 0.00 H new ATOM 0 HB ILE A 71 100.106 3.800 1.600 1.00 0.00 H new ATOM 0 HG12 ILE A 71 99.633 2.409 4.277 1.00 0.00 H new ATOM 0 HG13 ILE A 71 98.344 3.106 3.317 1.00 0.00 H new ATOM 0 HG21 ILE A 71 101.838 2.174 2.314 1.00 0.00 H new ATOM 0 HG22 ILE A 71 102.454 3.842 2.374 1.00 0.00 H new ATOM 0 HG23 ILE A 71 101.979 3.015 3.876 1.00 0.00 H new ATOM 0 HD11 ILE A 71 98.599 0.689 2.818 1.00 0.00 H new ATOM 0 HD12 ILE A 71 98.988 1.666 1.382 1.00 0.00 H new ATOM 0 HD13 ILE A 71 100.297 0.958 2.357 1.00 0.00 H new ATOM 982 N PHE A 72 98.448 6.155 2.079 1.00 0.00 N ATOM 983 CA PHE A 72 97.062 6.691 1.921 1.00 0.00 C ATOM 984 C PHE A 72 96.258 5.790 0.978 1.00 0.00 C ATOM 985 O PHE A 72 96.683 5.490 -0.118 1.00 0.00 O ATOM 986 CB PHE A 72 97.228 8.091 1.325 1.00 0.00 C ATOM 987 CG PHE A 72 98.043 8.952 2.261 1.00 0.00 C ATOM 988 CD1 PHE A 72 97.428 9.585 3.349 1.00 0.00 C ATOM 989 CD2 PHE A 72 99.416 9.118 2.039 1.00 0.00 C ATOM 990 CE1 PHE A 72 98.185 10.382 4.215 1.00 0.00 C ATOM 991 CE2 PHE A 72 100.174 9.916 2.907 1.00 0.00 C ATOM 992 CZ PHE A 72 99.558 10.547 3.995 1.00 0.00 C ATOM 0 H PHE A 72 99.066 6.281 1.277 1.00 0.00 H new ATOM 0 HA PHE A 72 96.524 6.725 2.868 1.00 0.00 H new ATOM 0 HB2 PHE A 72 97.720 8.027 0.354 1.00 0.00 H new ATOM 0 HB3 PHE A 72 96.251 8.544 1.158 1.00 0.00 H new ATOM 0 HD1 PHE A 72 96.369 9.458 3.519 1.00 0.00 H new ATOM 0 HD2 PHE A 72 99.890 8.631 1.200 1.00 0.00 H new ATOM 0 HE1 PHE A 72 97.710 10.870 5.053 1.00 0.00 H new ATOM 0 HE2 PHE A 72 101.233 10.044 2.737 1.00 0.00 H new ATOM 0 HZ PHE A 72 100.142 11.161 4.665 1.00 0.00 H new ATOM 1002 N ILE A 73 95.106 5.345 1.413 1.00 0.00 N ATOM 1003 CA ILE A 73 94.270 4.445 0.562 1.00 0.00 C ATOM 1004 C ILE A 73 92.933 5.109 0.229 1.00 0.00 C ATOM 1005 O ILE A 73 92.260 5.632 1.102 1.00 0.00 O ATOM 1006 CB ILE A 73 94.060 3.176 1.399 1.00 0.00 C ATOM 1007 CG1 ILE A 73 95.421 2.535 1.724 1.00 0.00 C ATOM 1008 CG2 ILE A 73 93.188 2.175 0.630 1.00 0.00 C ATOM 1009 CD1 ILE A 73 96.163 2.167 0.430 1.00 0.00 C ATOM 0 H ILE A 73 94.707 5.568 2.325 1.00 0.00 H new ATOM 0 HA ILE A 73 94.750 4.222 -0.391 1.00 0.00 H new ATOM 0 HB ILE A 73 93.557 3.445 2.328 1.00 0.00 H new ATOM 0 HG12 ILE A 73 96.024 3.226 2.313 1.00 0.00 H new ATOM 0 HG13 ILE A 73 95.274 1.643 2.333 1.00 0.00 H new ATOM 0 HG21 ILE A 73 93.045 1.278 1.233 1.00 0.00 H new ATOM 0 HG22 ILE A 73 92.219 2.626 0.416 1.00 0.00 H new ATOM 0 HG23 ILE A 73 93.679 1.908 -0.306 1.00 0.00 H new ATOM 0 HD11 ILE A 73 97.123 1.715 0.677 1.00 0.00 H new ATOM 0 HD12 ILE A 73 95.565 1.458 -0.143 1.00 0.00 H new ATOM 0 HD13 ILE A 73 96.327 3.066 -0.163 1.00 0.00 H new ATOM 1021 N ARG A 74 92.542 5.095 -1.022 1.00 0.00 N ATOM 1022 CA ARG A 74 91.248 5.719 -1.407 1.00 0.00 C ATOM 1023 C ARG A 74 90.215 4.602 -1.604 1.00 0.00 C ATOM 1024 O ARG A 74 90.507 3.565 -2.169 1.00 0.00 O ATOM 1025 CB ARG A 74 91.552 6.467 -2.707 1.00 0.00 C ATOM 1026 CG ARG A 74 90.390 7.385 -3.081 1.00 0.00 C ATOM 1027 CD ARG A 74 90.733 8.112 -4.384 1.00 0.00 C ATOM 1028 NE ARG A 74 89.672 9.143 -4.551 1.00 0.00 N ATOM 1029 CZ ARG A 74 89.872 10.162 -5.343 1.00 0.00 C ATOM 1030 NH1 ARG A 74 90.900 10.944 -5.152 1.00 0.00 N1+ ATOM 1031 NH2 ARG A 74 89.046 10.398 -6.324 1.00 0.00 N ATOM 0 H ARG A 74 93.067 4.677 -1.790 1.00 0.00 H new ATOM 0 HA ARG A 74 90.839 6.401 -0.662 1.00 0.00 H new ATOM 0 HB2 ARG A 74 92.464 7.053 -2.591 1.00 0.00 H new ATOM 0 HB3 ARG A 74 91.732 5.753 -3.511 1.00 0.00 H new ATOM 0 HG2 ARG A 74 89.475 6.805 -3.202 1.00 0.00 H new ATOM 0 HG3 ARG A 74 90.207 8.106 -2.284 1.00 0.00 H new ATOM 0 HD2 ARG A 74 91.721 8.570 -4.331 1.00 0.00 H new ATOM 0 HD3 ARG A 74 90.747 7.422 -5.227 1.00 0.00 H new ATOM 0 HE ARG A 74 88.790 9.054 -4.047 1.00 0.00 H new ATOM 0 HH11 ARG A 74 91.546 10.759 -4.385 1.00 0.00 H new ATOM 0 HH12 ARG A 74 91.057 11.740 -5.770 1.00 0.00 H new ATOM 0 HH21 ARG A 74 88.243 9.787 -6.473 1.00 0.00 H new ATOM 0 HH22 ARG A 74 89.203 11.194 -6.942 1.00 0.00 H new ATOM 1045 N GLY A 75 89.023 4.794 -1.103 1.00 0.00 N ATOM 1046 CA GLY A 75 87.972 3.737 -1.209 1.00 0.00 C ATOM 1047 C GLY A 75 87.660 3.407 -2.671 1.00 0.00 C ATOM 1048 O GLY A 75 87.748 4.244 -3.546 1.00 0.00 O ATOM 0 H GLY A 75 88.730 5.644 -0.621 1.00 0.00 H new ATOM 0 HA2 GLY A 75 88.306 2.836 -0.694 1.00 0.00 H new ATOM 0 HA3 GLY A 75 87.064 4.073 -0.708 1.00 0.00 H new ATOM 1052 N VAL A 76 87.279 2.179 -2.927 1.00 0.00 N ATOM 1053 CA VAL A 76 86.932 1.743 -4.313 1.00 0.00 C ATOM 1054 C VAL A 76 86.000 0.508 -4.265 1.00 0.00 C ATOM 1055 O VAL A 76 85.036 0.427 -5.000 1.00 0.00 O ATOM 1056 CB VAL A 76 88.280 1.423 -4.988 1.00 0.00 C ATOM 1057 CG1 VAL A 76 88.844 0.087 -4.488 1.00 0.00 C ATOM 1058 CG2 VAL A 76 88.073 1.347 -6.502 1.00 0.00 C ATOM 0 H VAL A 76 87.193 1.449 -2.220 1.00 0.00 H new ATOM 0 HA VAL A 76 86.391 2.507 -4.871 1.00 0.00 H new ATOM 0 HB VAL A 76 88.990 2.211 -4.739 1.00 0.00 H new ATOM 0 HG11 VAL A 76 89.795 -0.114 -4.981 1.00 0.00 H new ATOM 0 HG12 VAL A 76 88.997 0.137 -3.410 1.00 0.00 H new ATOM 0 HG13 VAL A 76 88.141 -0.714 -4.717 1.00 0.00 H new ATOM 0 HG21 VAL A 76 89.022 1.121 -6.988 1.00 0.00 H new ATOM 0 HG22 VAL A 76 87.352 0.563 -6.732 1.00 0.00 H new ATOM 0 HG23 VAL A 76 87.698 2.303 -6.866 1.00 0.00 H new ATOM 1068 N ASP A 77 86.276 -0.442 -3.400 1.00 0.00 N ATOM 1069 CA ASP A 77 85.414 -1.665 -3.287 1.00 0.00 C ATOM 1070 C ASP A 77 85.006 -1.887 -1.828 1.00 0.00 C ATOM 1071 O ASP A 77 85.502 -1.236 -0.936 1.00 0.00 O ATOM 1072 CB ASP A 77 86.275 -2.828 -3.770 1.00 0.00 C ATOM 1073 CG ASP A 77 85.378 -4.048 -4.008 1.00 0.00 C ATOM 1074 OD1 ASP A 77 85.078 -4.733 -3.044 1.00 0.00 O1- ATOM 1075 OD2 ASP A 77 84.999 -4.271 -5.147 1.00 0.00 O ATOM 0 H ASP A 77 87.071 -0.422 -2.761 1.00 0.00 H new ATOM 0 HA ASP A 77 84.501 -1.568 -3.874 1.00 0.00 H new ATOM 0 HB2 ASP A 77 86.793 -2.556 -4.690 1.00 0.00 H new ATOM 0 HB3 ASP A 77 87.041 -3.062 -3.030 1.00 0.00 H new ATOM 1080 N SER A 78 84.091 -2.794 -1.585 1.00 0.00 N ATOM 1081 CA SER A 78 83.634 -3.058 -0.183 1.00 0.00 C ATOM 1082 C SER A 78 84.523 -4.105 0.499 1.00 0.00 C ATOM 1083 O SER A 78 85.169 -4.905 -0.151 1.00 0.00 O ATOM 1084 CB SER A 78 82.209 -3.588 -0.327 1.00 0.00 C ATOM 1085 OG SER A 78 81.700 -3.925 0.956 1.00 0.00 O ATOM 0 H SER A 78 83.639 -3.365 -2.299 1.00 0.00 H new ATOM 0 HA SER A 78 83.685 -2.160 0.433 1.00 0.00 H new ATOM 0 HB2 SER A 78 81.575 -2.836 -0.796 1.00 0.00 H new ATOM 0 HB3 SER A 78 82.198 -4.463 -0.976 1.00 0.00 H new ATOM 0 HG SER A 78 81.123 -3.202 1.280 1.00 0.00 H new ATOM 1091 N GLY A 79 84.553 -4.098 1.811 1.00 0.00 N ATOM 1092 CA GLY A 79 85.390 -5.085 2.552 1.00 0.00 C ATOM 1093 C GLY A 79 84.515 -5.881 3.523 1.00 0.00 C ATOM 1094 O GLY A 79 83.670 -5.337 4.207 1.00 0.00 O ATOM 0 H GLY A 79 84.031 -3.448 2.399 1.00 0.00 H new ATOM 0 HA2 GLY A 79 85.878 -5.761 1.850 1.00 0.00 H new ATOM 0 HA3 GLY A 79 86.179 -4.569 3.099 1.00 0.00 H new ATOM 1098 N ARG A 80 84.730 -7.166 3.591 1.00 0.00 N ATOM 1099 CA ARG A 80 83.933 -8.027 4.523 1.00 0.00 C ATOM 1100 C ARG A 80 84.191 -7.612 5.977 1.00 0.00 C ATOM 1101 O ARG A 80 83.290 -7.577 6.795 1.00 0.00 O ATOM 1102 CB ARG A 80 84.439 -9.449 4.275 1.00 0.00 C ATOM 1103 CG ARG A 80 83.981 -9.921 2.893 1.00 0.00 C ATOM 1104 CD ARG A 80 84.492 -11.343 2.642 1.00 0.00 C ATOM 1105 NE ARG A 80 83.996 -11.696 1.284 1.00 0.00 N ATOM 1106 CZ ARG A 80 82.904 -12.398 1.150 1.00 0.00 C ATOM 1107 NH1 ARG A 80 82.957 -13.700 1.197 1.00 0.00 N ATOM 1108 NH2 ARG A 80 81.761 -11.796 0.969 1.00 0.00 N1+ ATOM 0 H ARG A 80 85.428 -7.664 3.038 1.00 0.00 H new ATOM 0 HA ARG A 80 82.860 -7.939 4.353 1.00 0.00 H new ATOM 0 HB2 ARG A 80 85.527 -9.475 4.338 1.00 0.00 H new ATOM 0 HB3 ARG A 80 84.059 -10.121 5.045 1.00 0.00 H new ATOM 0 HG2 ARG A 80 82.893 -9.898 2.832 1.00 0.00 H new ATOM 0 HG3 ARG A 80 84.358 -9.247 2.124 1.00 0.00 H new ATOM 0 HD2 ARG A 80 85.580 -11.385 2.688 1.00 0.00 H new ATOM 0 HD3 ARG A 80 84.114 -12.037 3.393 1.00 0.00 H new ATOM 0 HE ARG A 80 84.510 -11.389 0.458 1.00 0.00 H new ATOM 0 HH11 ARG A 80 83.852 -14.169 1.338 1.00 0.00 H new ATOM 0 HH12 ARG A 80 82.104 -14.249 1.092 1.00 0.00 H new ATOM 0 HH21 ARG A 80 81.721 -10.777 0.932 1.00 0.00 H new ATOM 0 HH22 ARG A 80 80.907 -12.344 0.864 1.00 0.00 H new ATOM 1122 N GLY A 81 85.421 -7.300 6.294 1.00 0.00 N ATOM 1123 CA GLY A 81 85.761 -6.887 7.690 1.00 0.00 C ATOM 1124 C GLY A 81 87.245 -6.534 7.784 1.00 0.00 C ATOM 1125 O GLY A 81 88.021 -7.238 8.404 1.00 0.00 O ATOM 0 H GLY A 81 86.208 -7.313 5.645 1.00 0.00 H new ATOM 0 HA2 GLY A 81 85.155 -6.029 7.982 1.00 0.00 H new ATOM 0 HA3 GLY A 81 85.526 -7.694 8.384 1.00 0.00 H new ATOM 1129 N GLY A 82 87.638 -5.442 7.183 1.00 0.00 N ATOM 1130 CA GLY A 82 89.068 -5.029 7.244 1.00 0.00 C ATOM 1131 C GLY A 82 89.452 -4.288 5.967 1.00 0.00 C ATOM 1132 O GLY A 82 88.694 -4.223 5.019 1.00 0.00 O ATOM 0 H GLY A 82 87.029 -4.819 6.653 1.00 0.00 H new ATOM 0 HA2 GLY A 82 89.233 -4.388 8.110 1.00 0.00 H new ATOM 0 HA3 GLY A 82 89.703 -5.906 7.371 1.00 0.00 H new ATOM 1136 N PHE A 83 90.628 -3.727 5.942 1.00 0.00 N ATOM 1137 CA PHE A 83 91.103 -2.974 4.746 1.00 0.00 C ATOM 1138 C PHE A 83 92.014 -3.854 3.892 1.00 0.00 C ATOM 1139 O PHE A 83 93.025 -4.342 4.355 1.00 0.00 O ATOM 1140 CB PHE A 83 91.910 -1.823 5.344 1.00 0.00 C ATOM 1141 CG PHE A 83 90.983 -0.859 6.038 1.00 0.00 C ATOM 1142 CD1 PHE A 83 90.435 0.203 5.325 1.00 0.00 C ATOM 1143 CD2 PHE A 83 90.672 -1.025 7.395 1.00 0.00 C ATOM 1144 CE1 PHE A 83 89.578 1.104 5.958 1.00 0.00 C ATOM 1145 CE2 PHE A 83 89.810 -0.120 8.031 1.00 0.00 C ATOM 1146 CZ PHE A 83 89.263 0.947 7.308 1.00 0.00 C ATOM 0 H PHE A 83 91.293 -3.759 6.715 1.00 0.00 H new ATOM 0 HA PHE A 83 90.287 -2.642 4.104 1.00 0.00 H new ATOM 0 HB2 PHE A 83 92.644 -2.210 6.051 1.00 0.00 H new ATOM 0 HB3 PHE A 83 92.464 -1.308 4.559 1.00 0.00 H new ATOM 0 HD1 PHE A 83 90.674 0.330 4.279 1.00 0.00 H new ATOM 0 HD2 PHE A 83 91.096 -1.849 7.950 1.00 0.00 H new ATOM 0 HE1 PHE A 83 89.156 1.927 5.400 1.00 0.00 H new ATOM 0 HE2 PHE A 83 89.569 -0.246 9.076 1.00 0.00 H new ATOM 0 HZ PHE A 83 88.599 1.647 7.794 1.00 0.00 H new ATOM 1156 N ASN A 84 91.673 -4.048 2.641 1.00 0.00 N ATOM 1157 CA ASN A 84 92.535 -4.890 1.760 1.00 0.00 C ATOM 1158 C ASN A 84 93.119 -4.014 0.647 1.00 0.00 C ATOM 1159 O ASN A 84 92.397 -3.274 0.012 1.00 0.00 O ATOM 1160 CB ASN A 84 91.594 -5.950 1.184 1.00 0.00 C ATOM 1161 CG ASN A 84 92.410 -7.057 0.518 1.00 0.00 C ATOM 1162 OD1 ASN A 84 92.877 -6.901 -0.593 1.00 0.00 O ATOM 1163 ND2 ASN A 84 92.597 -8.182 1.153 1.00 0.00 N ATOM 0 H ASN A 84 90.840 -3.662 2.196 1.00 0.00 H new ATOM 0 HA ASN A 84 93.372 -5.347 2.289 1.00 0.00 H new ATOM 0 HB2 ASN A 84 90.974 -6.369 1.977 1.00 0.00 H new ATOM 0 HB3 ASN A 84 90.920 -5.495 0.458 1.00 0.00 H new ATOM 0 HD21 ASN A 84 93.135 -8.931 0.717 1.00 0.00 H new ATOM 0 HD22 ASN A 84 92.205 -8.313 2.086 1.00 0.00 H new ATOM 1170 N VAL A 85 94.408 -4.061 0.414 1.00 0.00 N ATOM 1171 CA VAL A 85 94.991 -3.187 -0.654 1.00 0.00 C ATOM 1172 C VAL A 85 95.935 -3.963 -1.566 1.00 0.00 C ATOM 1173 O VAL A 85 96.228 -5.119 -1.340 1.00 0.00 O ATOM 1174 CB VAL A 85 95.757 -2.083 0.088 1.00 0.00 C ATOM 1175 CG1 VAL A 85 94.782 -1.264 0.942 1.00 0.00 C ATOM 1176 CG2 VAL A 85 96.825 -2.712 0.992 1.00 0.00 C ATOM 0 H VAL A 85 95.073 -4.656 0.908 1.00 0.00 H new ATOM 0 HA VAL A 85 94.207 -2.786 -1.297 1.00 0.00 H new ATOM 0 HB VAL A 85 96.239 -1.430 -0.640 1.00 0.00 H new ATOM 0 HG11 VAL A 85 95.328 -0.481 1.468 1.00 0.00 H new ATOM 0 HG12 VAL A 85 94.027 -0.811 0.299 1.00 0.00 H new ATOM 0 HG13 VAL A 85 94.296 -1.917 1.667 1.00 0.00 H new ATOM 0 HG21 VAL A 85 97.367 -1.925 1.517 1.00 0.00 H new ATOM 0 HG22 VAL A 85 96.346 -3.369 1.718 1.00 0.00 H new ATOM 0 HG23 VAL A 85 97.522 -3.289 0.384 1.00 0.00 H new ATOM 1186 N ASN A 86 96.416 -3.325 -2.603 1.00 0.00 N ATOM 1187 CA ASN A 86 97.353 -4.016 -3.543 1.00 0.00 C ATOM 1188 C ASN A 86 98.549 -4.591 -2.763 1.00 0.00 C ATOM 1189 O ASN A 86 98.922 -4.056 -1.738 1.00 0.00 O ATOM 1190 CB ASN A 86 97.829 -2.922 -4.505 1.00 0.00 C ATOM 1191 CG ASN A 86 96.681 -2.503 -5.427 1.00 0.00 C ATOM 1192 OD1 ASN A 86 95.533 -2.816 -5.177 1.00 0.00 O ATOM 1193 ND2 ASN A 86 96.946 -1.800 -6.493 1.00 0.00 N ATOM 0 H ASN A 86 96.201 -2.356 -2.840 1.00 0.00 H new ATOM 0 HA ASN A 86 96.876 -4.845 -4.067 1.00 0.00 H new ATOM 0 HB2 ASN A 86 98.187 -2.061 -3.941 1.00 0.00 H new ATOM 0 HB3 ASN A 86 98.668 -3.287 -5.097 1.00 0.00 H new ATOM 0 HD21 ASN A 86 96.191 -1.513 -7.116 1.00 0.00 H new ATOM 0 HD22 ASN A 86 97.909 -1.537 -6.704 1.00 0.00 H new ATOM 1200 N PRO A 87 99.114 -5.665 -3.265 1.00 0.00 N ATOM 1201 CA PRO A 87 100.271 -6.291 -2.580 1.00 0.00 C ATOM 1202 C PRO A 87 101.481 -5.357 -2.597 1.00 0.00 C ATOM 1203 O PRO A 87 102.360 -5.484 -1.770 1.00 0.00 O ATOM 1204 CB PRO A 87 100.525 -7.569 -3.378 1.00 0.00 C ATOM 1205 CG PRO A 87 99.942 -7.294 -4.726 1.00 0.00 C ATOM 1206 CD PRO A 87 98.761 -6.387 -4.499 1.00 0.00 C ATOM 0 HA PRO A 87 100.083 -6.499 -1.527 1.00 0.00 H new ATOM 0 HB2 PRO A 87 101.590 -7.790 -3.444 1.00 0.00 H new ATOM 0 HB3 PRO A 87 100.050 -8.430 -2.909 1.00 0.00 H new ATOM 0 HG2 PRO A 87 100.676 -6.821 -5.378 1.00 0.00 H new ATOM 0 HG3 PRO A 87 99.634 -8.219 -5.212 1.00 0.00 H new ATOM 0 HD2 PRO A 87 98.613 -5.704 -5.335 1.00 0.00 H new ATOM 0 HD3 PRO A 87 97.837 -6.953 -4.382 1.00 0.00 H new ATOM 1214 N THR A 88 101.530 -4.405 -3.494 1.00 0.00 N ATOM 1215 CA THR A 88 102.685 -3.456 -3.507 1.00 0.00 C ATOM 1216 C THR A 88 102.524 -2.450 -2.364 1.00 0.00 C ATOM 1217 O THR A 88 103.479 -2.107 -1.691 1.00 0.00 O ATOM 1218 CB THR A 88 102.636 -2.764 -4.862 1.00 0.00 C ATOM 1219 OG1 THR A 88 102.675 -3.740 -5.895 1.00 0.00 O ATOM 1220 CG2 THR A 88 103.829 -1.818 -5.004 1.00 0.00 C ATOM 0 H THR A 88 100.825 -4.244 -4.214 1.00 0.00 H new ATOM 0 HA THR A 88 103.642 -3.958 -3.365 1.00 0.00 H new ATOM 0 HB THR A 88 101.713 -2.190 -4.940 1.00 0.00 H new ATOM 0 HG1 THR A 88 102.642 -3.295 -6.767 1.00 0.00 H new ATOM 0 HG21 THR A 88 103.789 -1.325 -5.976 1.00 0.00 H new ATOM 0 HG22 THR A 88 103.794 -1.067 -4.215 1.00 0.00 H new ATOM 0 HG23 THR A 88 104.756 -2.386 -4.923 1.00 0.00 H new ATOM 1228 N ALA A 89 101.319 -1.991 -2.125 1.00 0.00 N ATOM 1229 CA ALA A 89 101.090 -1.024 -1.007 1.00 0.00 C ATOM 1230 C ALA A 89 101.347 -1.727 0.322 1.00 0.00 C ATOM 1231 O ALA A 89 101.925 -1.165 1.234 1.00 0.00 O ATOM 1232 CB ALA A 89 99.622 -0.605 -1.121 1.00 0.00 C ATOM 0 H ALA A 89 100.485 -2.244 -2.656 1.00 0.00 H new ATOM 0 HA ALA A 89 101.751 -0.159 -1.058 1.00 0.00 H new ATOM 0 HB1 ALA A 89 99.384 0.106 -0.330 1.00 0.00 H new ATOM 0 HB2 ALA A 89 99.451 -0.139 -2.091 1.00 0.00 H new ATOM 0 HB3 ALA A 89 98.984 -1.484 -1.023 1.00 0.00 H new ATOM 1238 N PHE A 90 100.924 -2.955 0.430 1.00 0.00 N ATOM 1239 CA PHE A 90 101.141 -3.720 1.698 1.00 0.00 C ATOM 1240 C PHE A 90 102.636 -3.841 2.006 1.00 0.00 C ATOM 1241 O PHE A 90 103.069 -3.587 3.114 1.00 0.00 O ATOM 1242 CB PHE A 90 100.553 -5.109 1.435 1.00 0.00 C ATOM 1243 CG PHE A 90 100.573 -5.909 2.716 1.00 0.00 C ATOM 1244 CD1 PHE A 90 101.690 -6.687 3.039 1.00 0.00 C ATOM 1245 CD2 PHE A 90 99.475 -5.867 3.584 1.00 0.00 C ATOM 1246 CE1 PHE A 90 101.708 -7.424 4.230 1.00 0.00 C ATOM 1247 CE2 PHE A 90 99.493 -6.604 4.774 1.00 0.00 C ATOM 1248 CZ PHE A 90 100.611 -7.384 5.096 1.00 0.00 C ATOM 0 H PHE A 90 100.436 -3.467 -0.305 1.00 0.00 H new ATOM 0 HA PHE A 90 100.675 -3.225 2.550 1.00 0.00 H new ATOM 0 HB2 PHE A 90 99.532 -5.020 1.064 1.00 0.00 H new ATOM 0 HB3 PHE A 90 101.129 -5.621 0.664 1.00 0.00 H new ATOM 0 HD1 PHE A 90 102.538 -6.719 2.371 1.00 0.00 H new ATOM 0 HD2 PHE A 90 98.613 -5.265 3.335 1.00 0.00 H new ATOM 0 HE1 PHE A 90 102.571 -8.024 4.480 1.00 0.00 H new ATOM 0 HE2 PHE A 90 98.646 -6.571 5.443 1.00 0.00 H new ATOM 0 HZ PHE A 90 100.626 -7.954 6.013 1.00 0.00 H new ATOM 1258 N THR A 91 103.422 -4.255 1.046 1.00 0.00 N ATOM 1259 CA THR A 91 104.887 -4.429 1.292 1.00 0.00 C ATOM 1260 C THR A 91 105.527 -3.107 1.712 1.00 0.00 C ATOM 1261 O THR A 91 106.428 -3.075 2.524 1.00 0.00 O ATOM 1262 CB THR A 91 105.481 -4.885 -0.043 1.00 0.00 C ATOM 1263 OG1 THR A 91 104.778 -6.020 -0.514 1.00 0.00 O ATOM 1264 CG2 THR A 91 106.948 -5.256 0.164 1.00 0.00 C ATOM 0 H THR A 91 103.113 -4.481 0.100 1.00 0.00 H new ATOM 0 HA THR A 91 105.068 -5.147 2.092 1.00 0.00 H new ATOM 0 HB THR A 91 105.399 -4.079 -0.772 1.00 0.00 H new ATOM 0 HG1 THR A 91 104.028 -5.731 -1.074 1.00 0.00 H new ATOM 0 HG21 THR A 91 107.378 -5.582 -0.783 1.00 0.00 H new ATOM 0 HG22 THR A 91 107.495 -4.387 0.531 1.00 0.00 H new ATOM 0 HG23 THR A 91 107.020 -6.064 0.892 1.00 0.00 H new ATOM 1272 N LYS A 92 105.083 -2.023 1.140 1.00 0.00 N ATOM 1273 CA LYS A 92 105.682 -0.701 1.495 1.00 0.00 C ATOM 1274 C LYS A 92 105.307 -0.282 2.917 1.00 0.00 C ATOM 1275 O LYS A 92 106.116 0.270 3.639 1.00 0.00 O ATOM 1276 CB LYS A 92 105.108 0.294 0.493 1.00 0.00 C ATOM 1277 CG LYS A 92 105.687 0.029 -0.897 1.00 0.00 C ATOM 1278 CD LYS A 92 105.103 1.035 -1.891 1.00 0.00 C ATOM 1279 CE LYS A 92 105.679 0.775 -3.285 1.00 0.00 C ATOM 1280 NZ LYS A 92 107.083 1.273 -3.223 1.00 0.00 N1+ ATOM 0 H LYS A 92 104.336 -1.992 0.446 1.00 0.00 H new ATOM 0 HA LYS A 92 106.770 -0.746 1.458 1.00 0.00 H new ATOM 0 HB2 LYS A 92 104.022 0.209 0.466 1.00 0.00 H new ATOM 0 HB3 LYS A 92 105.341 1.312 0.805 1.00 0.00 H new ATOM 0 HG2 LYS A 92 106.773 0.114 -0.873 1.00 0.00 H new ATOM 0 HG3 LYS A 92 105.454 -0.988 -1.212 1.00 0.00 H new ATOM 0 HD2 LYS A 92 104.017 0.950 -1.914 1.00 0.00 H new ATOM 0 HD3 LYS A 92 105.336 2.052 -1.574 1.00 0.00 H new ATOM 0 HE2 LYS A 92 105.647 -0.286 -3.533 1.00 0.00 H new ATOM 0 HE3 LYS A 92 105.108 1.299 -4.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 107.225 2.003 -3.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 107.266 1.680 -2.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 107.739 0.484 -3.392 1.00 0.00 H new ATOM 1294 N LEU A 93 104.085 -0.518 3.315 1.00 0.00 N ATOM 1295 CA LEU A 93 103.656 -0.107 4.688 1.00 0.00 C ATOM 1296 C LEU A 93 104.318 -0.971 5.767 1.00 0.00 C ATOM 1297 O LEU A 93 104.750 -0.469 6.788 1.00 0.00 O ATOM 1298 CB LEU A 93 102.136 -0.291 4.705 1.00 0.00 C ATOM 1299 CG LEU A 93 101.572 0.102 6.073 1.00 0.00 C ATOM 1300 CD1 LEU A 93 101.771 1.599 6.301 1.00 0.00 C ATOM 1301 CD2 LEU A 93 100.078 -0.225 6.121 1.00 0.00 C ATOM 0 H LEU A 93 103.367 -0.975 2.753 1.00 0.00 H new ATOM 0 HA LEU A 93 103.950 0.920 4.905 1.00 0.00 H new ATOM 0 HB2 LEU A 93 101.680 0.320 3.926 1.00 0.00 H new ATOM 0 HB3 LEU A 93 101.885 -1.329 4.484 1.00 0.00 H new ATOM 0 HG LEU A 93 102.094 -0.455 6.851 1.00 0.00 H new ATOM 0 HD11 LEU A 93 101.368 1.875 7.276 1.00 0.00 H new ATOM 0 HD12 LEU A 93 102.835 1.834 6.268 1.00 0.00 H new ATOM 0 HD13 LEU A 93 101.252 2.158 5.522 1.00 0.00 H new ATOM 0 HD21 LEU A 93 99.675 0.054 7.095 1.00 0.00 H new ATOM 0 HD22 LEU A 93 99.559 0.331 5.340 1.00 0.00 H new ATOM 0 HD23 LEU A 93 99.934 -1.294 5.962 1.00 0.00 H new ATOM 1313 N VAL A 94 104.364 -2.263 5.573 1.00 0.00 N ATOM 1314 CA VAL A 94 104.957 -3.159 6.619 1.00 0.00 C ATOM 1315 C VAL A 94 106.429 -3.463 6.325 1.00 0.00 C ATOM 1316 O VAL A 94 107.247 -3.536 7.223 1.00 0.00 O ATOM 1317 CB VAL A 94 104.112 -4.436 6.560 1.00 0.00 C ATOM 1318 CG1 VAL A 94 104.633 -5.464 7.569 1.00 0.00 C ATOM 1319 CG2 VAL A 94 102.656 -4.100 6.894 1.00 0.00 C ATOM 0 H VAL A 94 104.019 -2.739 4.739 1.00 0.00 H new ATOM 0 HA VAL A 94 104.942 -2.697 7.606 1.00 0.00 H new ATOM 0 HB VAL A 94 104.177 -4.855 5.556 1.00 0.00 H new ATOM 0 HG11 VAL A 94 104.024 -6.366 7.517 1.00 0.00 H new ATOM 0 HG12 VAL A 94 105.668 -5.711 7.335 1.00 0.00 H new ATOM 0 HG13 VAL A 94 104.578 -5.047 8.575 1.00 0.00 H new ATOM 0 HG21 VAL A 94 102.054 -5.008 6.852 1.00 0.00 H new ATOM 0 HG22 VAL A 94 102.601 -3.674 7.896 1.00 0.00 H new ATOM 0 HG23 VAL A 94 102.274 -3.378 6.172 1.00 0.00 H new ATOM 1329 N GLY A 95 106.761 -3.650 5.081 1.00 0.00 N ATOM 1330 CA GLY A 95 108.169 -3.965 4.708 1.00 0.00 C ATOM 1331 C GLY A 95 108.210 -5.294 3.951 1.00 0.00 C ATOM 1332 O GLY A 95 109.085 -5.526 3.138 1.00 0.00 O ATOM 0 H GLY A 95 106.111 -3.598 4.297 1.00 0.00 H new ATOM 0 HA2 GLY A 95 108.579 -3.168 4.088 1.00 0.00 H new ATOM 0 HA3 GLY A 95 108.789 -4.024 5.602 1.00 0.00 H new ATOM 1336 N SER A 96 107.265 -6.166 4.207 1.00 0.00 N ATOM 1337 CA SER A 96 107.240 -7.481 3.501 1.00 0.00 C ATOM 1338 C SER A 96 105.817 -8.051 3.489 1.00 0.00 C ATOM 1339 O SER A 96 104.976 -7.649 4.271 1.00 0.00 O ATOM 1340 CB SER A 96 108.175 -8.383 4.301 1.00 0.00 C ATOM 1341 OG SER A 96 108.183 -9.681 3.722 1.00 0.00 O ATOM 0 H SER A 96 106.509 -6.021 4.876 1.00 0.00 H new ATOM 0 HA SER A 96 107.554 -7.395 2.461 1.00 0.00 H new ATOM 0 HB2 SER A 96 109.183 -7.968 4.306 1.00 0.00 H new ATOM 0 HB3 SER A 96 107.847 -8.437 5.339 1.00 0.00 H new ATOM 0 HG SER A 96 108.784 -10.263 4.232 1.00 0.00 H new ATOM 1347 N THR A 97 105.544 -8.983 2.609 1.00 0.00 N ATOM 1348 CA THR A 97 104.174 -9.581 2.546 1.00 0.00 C ATOM 1349 C THR A 97 104.115 -10.913 3.309 1.00 0.00 C ATOM 1350 O THR A 97 103.172 -11.669 3.178 1.00 0.00 O ATOM 1351 CB THR A 97 103.903 -9.804 1.057 1.00 0.00 C ATOM 1352 OG1 THR A 97 104.917 -10.637 0.511 1.00 0.00 O ATOM 1353 CG2 THR A 97 103.900 -8.459 0.338 1.00 0.00 C ATOM 0 H THR A 97 106.210 -9.355 1.932 1.00 0.00 H new ATOM 0 HA THR A 97 103.431 -8.930 3.007 1.00 0.00 H new ATOM 0 HB THR A 97 102.934 -10.286 0.929 1.00 0.00 H new ATOM 0 HG1 THR A 97 104.743 -10.782 -0.443 1.00 0.00 H new ATOM 0 HG21 THR A 97 103.707 -8.614 -0.724 1.00 0.00 H new ATOM 0 HG22 THR A 97 103.121 -7.823 0.759 1.00 0.00 H new ATOM 0 HG23 THR A 97 104.869 -7.977 0.464 1.00 0.00 H new ATOM 1361 N GLU A 98 105.116 -11.201 4.098 1.00 0.00 N ATOM 1362 CA GLU A 98 105.133 -12.483 4.873 1.00 0.00 C ATOM 1363 C GLU A 98 104.077 -12.470 5.986 1.00 0.00 C ATOM 1364 O GLU A 98 103.477 -13.483 6.292 1.00 0.00 O ATOM 1365 CB GLU A 98 106.538 -12.570 5.471 1.00 0.00 C ATOM 1366 CG GLU A 98 107.554 -12.830 4.355 1.00 0.00 C ATOM 1367 CD GLU A 98 108.975 -12.919 4.931 1.00 0.00 C ATOM 1368 OE1 GLU A 98 109.127 -12.805 6.139 1.00 0.00 O ATOM 1369 OE2 GLU A 98 109.893 -13.101 4.149 1.00 0.00 O1- ATOM 0 H GLU A 98 105.929 -10.602 4.242 1.00 0.00 H new ATOM 0 HA GLU A 98 104.901 -13.338 4.238 1.00 0.00 H new ATOM 0 HB2 GLU A 98 106.782 -11.643 5.990 1.00 0.00 H new ATOM 0 HB3 GLU A 98 106.581 -13.370 6.210 1.00 0.00 H new ATOM 0 HG2 GLU A 98 107.306 -13.757 3.838 1.00 0.00 H new ATOM 0 HG3 GLU A 98 107.504 -12.030 3.616 1.00 0.00 H new ATOM 1376 N ALA A 99 103.864 -11.336 6.606 1.00 0.00 N ATOM 1377 CA ALA A 99 102.865 -11.258 7.721 1.00 0.00 C ATOM 1378 C ALA A 99 101.466 -11.645 7.234 1.00 0.00 C ATOM 1379 O ALA A 99 100.732 -12.331 7.920 1.00 0.00 O ATOM 1380 CB ALA A 99 102.882 -9.797 8.172 1.00 0.00 C ATOM 0 H ALA A 99 104.338 -10.459 6.389 1.00 0.00 H new ATOM 0 HA ALA A 99 103.114 -11.944 8.530 1.00 0.00 H new ATOM 0 HB1 ALA A 99 102.173 -9.660 8.989 1.00 0.00 H new ATOM 0 HB2 ALA A 99 103.883 -9.533 8.512 1.00 0.00 H new ATOM 0 HB3 ALA A 99 102.601 -9.155 7.337 1.00 0.00 H new ATOM 1386 N GLY A 100 101.091 -11.202 6.063 1.00 0.00 N ATOM 1387 CA GLY A 100 99.736 -11.531 5.532 1.00 0.00 C ATOM 1388 C GLY A 100 98.764 -10.409 5.905 1.00 0.00 C ATOM 1389 O GLY A 100 98.231 -9.730 5.048 1.00 0.00 O ATOM 0 H GLY A 100 101.667 -10.625 5.450 1.00 0.00 H new ATOM 0 HA2 GLY A 100 99.775 -11.649 4.449 1.00 0.00 H new ATOM 0 HA3 GLY A 100 99.391 -12.479 5.944 1.00 0.00 H new ATOM 1393 N ARG A 101 98.538 -10.207 7.180 1.00 0.00 N ATOM 1394 CA ARG A 101 97.608 -9.128 7.619 1.00 0.00 C ATOM 1395 C ARG A 101 98.036 -8.569 8.984 1.00 0.00 C ATOM 1396 O ARG A 101 98.655 -9.257 9.774 1.00 0.00 O ATOM 1397 CB ARG A 101 96.238 -9.799 7.706 1.00 0.00 C ATOM 1398 CG ARG A 101 96.248 -10.892 8.778 1.00 0.00 C ATOM 1399 CD ARG A 101 94.870 -11.541 8.833 1.00 0.00 C ATOM 1400 NE ARG A 101 94.976 -12.597 9.879 1.00 0.00 N ATOM 1401 CZ ARG A 101 94.500 -12.382 11.076 1.00 0.00 C ATOM 1402 NH1 ARG A 101 93.211 -12.391 11.276 1.00 0.00 N1+ ATOM 1403 NH2 ARG A 101 95.314 -12.159 12.072 1.00 0.00 N ATOM 0 H ARG A 101 98.960 -10.746 7.936 1.00 0.00 H new ATOM 0 HA ARG A 101 97.602 -8.283 6.930 1.00 0.00 H new ATOM 0 HB2 ARG A 101 95.476 -9.056 7.942 1.00 0.00 H new ATOM 0 HB3 ARG A 101 95.975 -10.230 6.740 1.00 0.00 H new ATOM 0 HG2 ARG A 101 97.008 -11.639 8.548 1.00 0.00 H new ATOM 0 HG3 ARG A 101 96.503 -10.466 9.748 1.00 0.00 H new ATOM 0 HD2 ARG A 101 94.101 -10.811 9.087 1.00 0.00 H new ATOM 0 HD3 ARG A 101 94.597 -11.969 7.868 1.00 0.00 H new ATOM 0 HE ARG A 101 95.421 -13.488 9.660 1.00 0.00 H new ATOM 0 HH11 ARG A 101 92.575 -12.566 10.498 1.00 0.00 H new ATOM 0 HH12 ARG A 101 92.839 -12.223 12.211 1.00 0.00 H new ATOM 0 HH21 ARG A 101 96.322 -12.153 11.915 1.00 0.00 H new ATOM 0 HH22 ARG A 101 94.942 -11.991 13.007 1.00 0.00 H new ATOM 1417 N VAL A 102 97.702 -7.333 9.268 1.00 0.00 N ATOM 1418 CA VAL A 102 98.085 -6.739 10.587 1.00 0.00 C ATOM 1419 C VAL A 102 96.840 -6.198 11.305 1.00 0.00 C ATOM 1420 O VAL A 102 96.156 -5.325 10.806 1.00 0.00 O ATOM 1421 CB VAL A 102 99.061 -5.607 10.250 1.00 0.00 C ATOM 1422 CG1 VAL A 102 99.546 -4.943 11.542 1.00 0.00 C ATOM 1423 CG2 VAL A 102 100.265 -6.174 9.491 1.00 0.00 C ATOM 0 H VAL A 102 97.183 -6.713 8.646 1.00 0.00 H new ATOM 0 HA VAL A 102 98.538 -7.471 11.255 1.00 0.00 H new ATOM 0 HB VAL A 102 98.552 -4.869 9.629 1.00 0.00 H new ATOM 0 HG11 VAL A 102 100.240 -4.138 11.299 1.00 0.00 H new ATOM 0 HG12 VAL A 102 98.693 -4.535 12.084 1.00 0.00 H new ATOM 0 HG13 VAL A 102 100.051 -5.682 12.164 1.00 0.00 H new ATOM 0 HG21 VAL A 102 100.958 -5.367 9.252 1.00 0.00 H new ATOM 0 HG22 VAL A 102 100.770 -6.914 10.111 1.00 0.00 H new ATOM 0 HG23 VAL A 102 99.925 -6.645 8.569 1.00 0.00 H new ATOM 1433 N ASP A 103 96.539 -6.726 12.464 1.00 0.00 N ATOM 1434 CA ASP A 103 95.329 -6.267 13.219 1.00 0.00 C ATOM 1435 C ASP A 103 95.619 -4.982 14.001 1.00 0.00 C ATOM 1436 O ASP A 103 96.750 -4.557 14.128 1.00 0.00 O ATOM 1437 CB ASP A 103 95.003 -7.420 14.173 1.00 0.00 C ATOM 1438 CG ASP A 103 93.536 -7.350 14.622 1.00 0.00 C ATOM 1439 OD1 ASP A 103 92.911 -6.320 14.420 1.00 0.00 O ATOM 1440 OD2 ASP A 103 93.063 -8.335 15.164 1.00 0.00 O1- ATOM 0 H ASP A 103 97.080 -7.458 12.923 1.00 0.00 H new ATOM 0 HA ASP A 103 94.499 -6.034 12.552 1.00 0.00 H new ATOM 0 HB2 ASP A 103 95.193 -8.373 13.679 1.00 0.00 H new ATOM 0 HB3 ASP A 103 95.658 -7.376 15.043 1.00 0.00 H new ATOM 1445 N ASN A 104 94.588 -4.362 14.530 1.00 0.00 N ATOM 1446 CA ASN A 104 94.763 -3.097 15.318 1.00 0.00 C ATOM 1447 C ASN A 104 95.403 -2.007 14.457 1.00 0.00 C ATOM 1448 O ASN A 104 96.369 -1.377 14.847 1.00 0.00 O ATOM 1449 CB ASN A 104 95.662 -3.449 16.508 1.00 0.00 C ATOM 1450 CG ASN A 104 95.628 -2.306 17.526 1.00 0.00 C ATOM 1451 OD1 ASN A 104 94.671 -1.560 17.589 1.00 0.00 O ATOM 1452 ND2 ASN A 104 96.640 -2.134 18.332 1.00 0.00 N ATOM 0 H ASN A 104 93.623 -4.682 14.448 1.00 0.00 H new ATOM 0 HA ASN A 104 93.802 -2.708 15.655 1.00 0.00 H new ATOM 0 HB2 ASN A 104 95.323 -4.375 16.973 1.00 0.00 H new ATOM 0 HB3 ASN A 104 96.684 -3.618 16.169 1.00 0.00 H new ATOM 0 HD21 ASN A 104 96.626 -1.375 19.013 1.00 0.00 H new ATOM 0 HD22 ASN A 104 97.445 -2.759 18.281 1.00 0.00 H new ATOM 1459 N VAL A 105 94.860 -1.792 13.291 1.00 0.00 N ATOM 1460 CA VAL A 105 95.425 -0.743 12.387 1.00 0.00 C ATOM 1461 C VAL A 105 94.679 0.574 12.589 1.00 0.00 C ATOM 1462 O VAL A 105 93.462 0.616 12.545 1.00 0.00 O ATOM 1463 CB VAL A 105 95.231 -1.268 10.962 1.00 0.00 C ATOM 1464 CG1 VAL A 105 95.775 -0.249 9.951 1.00 0.00 C ATOM 1465 CG2 VAL A 105 95.988 -2.589 10.801 1.00 0.00 C ATOM 0 H VAL A 105 94.052 -2.294 12.923 1.00 0.00 H new ATOM 0 HA VAL A 105 96.478 -0.550 12.593 1.00 0.00 H new ATOM 0 HB VAL A 105 94.168 -1.425 10.780 1.00 0.00 H new ATOM 0 HG11 VAL A 105 95.634 -0.629 8.939 1.00 0.00 H new ATOM 0 HG12 VAL A 105 95.241 0.695 10.062 1.00 0.00 H new ATOM 0 HG13 VAL A 105 96.838 -0.088 10.133 1.00 0.00 H new ATOM 0 HG21 VAL A 105 95.852 -2.965 9.787 1.00 0.00 H new ATOM 0 HG22 VAL A 105 97.049 -2.425 10.988 1.00 0.00 H new ATOM 0 HG23 VAL A 105 95.603 -3.318 11.514 1.00 0.00 H new ATOM 1475 N ASN A 106 95.396 1.651 12.812 1.00 0.00 N ATOM 1476 CA ASN A 106 94.709 2.959 13.017 1.00 0.00 C ATOM 1477 C ASN A 106 94.465 3.624 11.664 1.00 0.00 C ATOM 1478 O ASN A 106 95.284 3.565 10.766 1.00 0.00 O ATOM 1479 CB ASN A 106 95.639 3.801 13.887 1.00 0.00 C ATOM 1480 CG ASN A 106 95.686 3.232 15.305 1.00 0.00 C ATOM 1481 OD1 ASN A 106 94.802 2.509 15.717 1.00 0.00 O ATOM 1482 ND2 ASN A 106 96.696 3.532 16.074 1.00 0.00 N ATOM 0 H ASN A 106 96.415 1.678 12.860 1.00 0.00 H new ATOM 0 HA ASN A 106 93.739 2.842 13.500 1.00 0.00 H new ATOM 0 HB2 ASN A 106 96.641 3.812 13.458 1.00 0.00 H new ATOM 0 HB3 ASN A 106 95.291 4.834 13.912 1.00 0.00 H new ATOM 0 HD21 ASN A 106 96.743 3.159 17.022 1.00 0.00 H new ATOM 0 HD22 ASN A 106 97.438 4.139 15.727 1.00 0.00 H new ATOM 1489 N TYR A 107 93.326 4.238 11.518 1.00 0.00 N ATOM 1490 CA TYR A 107 92.975 4.902 10.228 1.00 0.00 C ATOM 1491 C TYR A 107 92.287 6.247 10.480 1.00 0.00 C ATOM 1492 O TYR A 107 91.492 6.387 11.391 1.00 0.00 O ATOM 1493 CB TYR A 107 92.004 3.929 9.543 1.00 0.00 C ATOM 1494 CG TYR A 107 90.819 3.650 10.446 1.00 0.00 C ATOM 1495 CD1 TYR A 107 90.885 2.609 11.378 1.00 0.00 C ATOM 1496 CD2 TYR A 107 89.661 4.431 10.350 1.00 0.00 C ATOM 1497 CE1 TYR A 107 89.796 2.347 12.214 1.00 0.00 C ATOM 1498 CE2 TYR A 107 88.570 4.170 11.188 1.00 0.00 C ATOM 1499 CZ TYR A 107 88.637 3.127 12.120 1.00 0.00 C ATOM 1500 OH TYR A 107 87.562 2.869 12.946 1.00 0.00 O ATOM 0 H TYR A 107 92.613 4.310 12.244 1.00 0.00 H new ATOM 0 HA TYR A 107 93.856 5.110 9.621 1.00 0.00 H new ATOM 0 HB2 TYR A 107 91.660 4.352 8.599 1.00 0.00 H new ATOM 0 HB3 TYR A 107 92.518 2.997 9.307 1.00 0.00 H new ATOM 0 HD1 TYR A 107 91.779 2.007 11.452 1.00 0.00 H new ATOM 0 HD2 TYR A 107 89.609 5.234 9.630 1.00 0.00 H new ATOM 0 HE1 TYR A 107 89.848 1.543 12.933 1.00 0.00 H new ATOM 0 HE2 TYR A 107 87.677 4.773 11.116 1.00 0.00 H new ATOM 0 HH TYR A 107 86.840 3.503 12.751 1.00 0.00 H new ATOM 1510 N VAL A 108 92.584 7.230 9.670 1.00 0.00 N ATOM 1511 CA VAL A 108 91.949 8.570 9.846 1.00 0.00 C ATOM 1512 C VAL A 108 91.624 9.184 8.480 1.00 0.00 C ATOM 1513 O VAL A 108 92.391 9.077 7.543 1.00 0.00 O ATOM 1514 CB VAL A 108 92.981 9.420 10.602 1.00 0.00 C ATOM 1515 CG1 VAL A 108 93.218 8.816 11.986 1.00 0.00 C ATOM 1516 CG2 VAL A 108 94.309 9.453 9.835 1.00 0.00 C ATOM 0 H VAL A 108 93.241 7.162 8.892 1.00 0.00 H new ATOM 0 HA VAL A 108 91.009 8.510 10.395 1.00 0.00 H new ATOM 0 HB VAL A 108 92.599 10.436 10.697 1.00 0.00 H new ATOM 0 HG11 VAL A 108 93.950 9.417 12.525 1.00 0.00 H new ATOM 0 HG12 VAL A 108 92.281 8.801 12.542 1.00 0.00 H new ATOM 0 HG13 VAL A 108 93.593 7.798 11.879 1.00 0.00 H new ATOM 0 HG21 VAL A 108 95.031 10.059 10.383 1.00 0.00 H new ATOM 0 HG22 VAL A 108 94.693 8.439 9.729 1.00 0.00 H new ATOM 0 HG23 VAL A 108 94.148 9.885 8.847 1.00 0.00 H new ATOM 1526 N GLN A 109 90.487 9.822 8.362 1.00 0.00 N ATOM 1527 CA GLN A 109 90.105 10.449 7.060 1.00 0.00 C ATOM 1528 C GLN A 109 90.868 11.759 6.868 1.00 0.00 C ATOM 1529 O GLN A 109 90.992 12.553 7.783 1.00 0.00 O ATOM 1530 CB GLN A 109 88.603 10.722 7.169 1.00 0.00 C ATOM 1531 CG GLN A 109 88.095 11.368 5.877 1.00 0.00 C ATOM 1532 CD GLN A 109 86.594 11.636 5.995 1.00 0.00 C ATOM 1533 OE1 GLN A 109 86.120 12.064 7.029 1.00 0.00 O ATOM 1534 NE2 GLN A 109 85.819 11.403 4.970 1.00 0.00 N ATOM 0 H GLN A 109 89.806 9.936 9.112 1.00 0.00 H new ATOM 0 HA GLN A 109 90.341 9.808 6.210 1.00 0.00 H new ATOM 0 HB2 GLN A 109 88.068 9.791 7.355 1.00 0.00 H new ATOM 0 HB3 GLN A 109 88.404 11.378 8.016 1.00 0.00 H new ATOM 0 HG2 GLN A 109 88.628 12.300 5.690 1.00 0.00 H new ATOM 0 HG3 GLN A 109 88.292 10.713 5.029 1.00 0.00 H new ATOM 0 HE21 GLN A 109 86.216 11.044 4.102 1.00 0.00 H new ATOM 0 HE22 GLN A 109 84.817 11.580 5.038 1.00 0.00 H new ATOM 1543 N VAL A 110 91.370 11.993 5.683 1.00 0.00 N ATOM 1544 CA VAL A 110 92.115 13.257 5.427 1.00 0.00 C ATOM 1545 C VAL A 110 91.657 13.885 4.104 1.00 0.00 C ATOM 1546 O VAL A 110 90.776 13.369 3.440 1.00 0.00 O ATOM 1547 CB VAL A 110 93.598 12.862 5.380 1.00 0.00 C ATOM 1548 CG1 VAL A 110 94.012 12.284 6.735 1.00 0.00 C ATOM 1549 CG2 VAL A 110 93.834 11.815 4.281 1.00 0.00 C ATOM 0 H VAL A 110 91.295 11.363 4.884 1.00 0.00 H new ATOM 0 HA VAL A 110 91.936 14.004 6.200 1.00 0.00 H new ATOM 0 HB VAL A 110 94.195 13.746 5.159 1.00 0.00 H new ATOM 0 HG11 VAL A 110 95.065 12.003 6.704 1.00 0.00 H new ATOM 0 HG12 VAL A 110 93.859 13.033 7.512 1.00 0.00 H new ATOM 0 HG13 VAL A 110 93.408 11.404 6.955 1.00 0.00 H new ATOM 0 HG21 VAL A 110 94.889 11.543 4.258 1.00 0.00 H new ATOM 0 HG22 VAL A 110 93.235 10.928 4.489 1.00 0.00 H new ATOM 0 HG23 VAL A 110 93.545 12.230 3.315 1.00 0.00 H new ATOM 1559 N ASP A 111 92.233 14.999 3.726 1.00 0.00 N ATOM 1560 CA ASP A 111 91.817 15.672 2.450 1.00 0.00 C ATOM 1561 C ASP A 111 92.226 14.838 1.227 1.00 0.00 C ATOM 1562 O ASP A 111 93.194 14.104 1.254 1.00 0.00 O ATOM 1563 CB ASP A 111 92.541 17.021 2.453 1.00 0.00 C ATOM 1564 CG ASP A 111 91.939 17.934 3.529 1.00 0.00 C ATOM 1565 OD1 ASP A 111 90.789 17.730 3.886 1.00 0.00 O1- ATOM 1566 OD2 ASP A 111 92.639 18.829 3.974 1.00 0.00 O ATOM 0 H ASP A 111 92.973 15.474 4.243 1.00 0.00 H new ATOM 0 HA ASP A 111 90.735 15.789 2.391 1.00 0.00 H new ATOM 0 HB2 ASP A 111 93.604 16.873 2.643 1.00 0.00 H new ATOM 0 HB3 ASP A 111 92.455 17.492 1.474 1.00 0.00 H new ATOM 1571 N LEU A 112 91.478 14.948 0.156 1.00 0.00 N ATOM 1572 CA LEU A 112 91.785 14.169 -1.089 1.00 0.00 C ATOM 1573 C LEU A 112 93.155 14.547 -1.661 1.00 0.00 C ATOM 1574 O LEU A 112 93.885 13.705 -2.145 1.00 0.00 O ATOM 1575 CB LEU A 112 90.687 14.551 -2.082 1.00 0.00 C ATOM 1576 CG LEU A 112 90.868 13.762 -3.386 1.00 0.00 C ATOM 1577 CD1 LEU A 112 89.502 13.355 -3.936 1.00 0.00 C ATOM 1578 CD2 LEU A 112 91.592 14.631 -4.418 1.00 0.00 C ATOM 0 H LEU A 112 90.658 15.551 0.089 1.00 0.00 H new ATOM 0 HA LEU A 112 91.815 13.099 -0.886 1.00 0.00 H new ATOM 0 HB2 LEU A 112 89.707 14.342 -1.653 1.00 0.00 H new ATOM 0 HB3 LEU A 112 90.724 15.621 -2.286 1.00 0.00 H new ATOM 0 HG LEU A 112 91.459 12.869 -3.184 1.00 0.00 H new ATOM 0 HD11 LEU A 112 89.635 12.795 -4.862 1.00 0.00 H new ATOM 0 HD12 LEU A 112 88.987 12.731 -3.205 1.00 0.00 H new ATOM 0 HD13 LEU A 112 88.909 14.248 -4.134 1.00 0.00 H new ATOM 0 HD21 LEU A 112 91.719 14.068 -5.343 1.00 0.00 H new ATOM 0 HD22 LEU A 112 91.003 15.527 -4.616 1.00 0.00 H new ATOM 0 HD23 LEU A 112 92.570 14.918 -4.031 1.00 0.00 H new ATOM 1590 N SER A 113 93.493 15.812 -1.637 1.00 0.00 N ATOM 1591 CA SER A 113 94.805 16.260 -2.208 1.00 0.00 C ATOM 1592 C SER A 113 95.954 15.471 -1.576 1.00 0.00 C ATOM 1593 O SER A 113 96.894 15.094 -2.242 1.00 0.00 O ATOM 1594 CB SER A 113 94.915 17.742 -1.850 1.00 0.00 C ATOM 1595 OG SER A 113 93.963 18.480 -2.608 1.00 0.00 O ATOM 0 H SER A 113 92.917 16.557 -1.246 1.00 0.00 H new ATOM 0 HA SER A 113 94.860 16.098 -3.284 1.00 0.00 H new ATOM 0 HB2 SER A 113 94.738 17.885 -0.784 1.00 0.00 H new ATOM 0 HB3 SER A 113 95.922 18.104 -2.057 1.00 0.00 H new ATOM 0 HG SER A 113 94.029 19.431 -2.380 1.00 0.00 H new ATOM 1601 N ASN A 114 95.873 15.214 -0.300 1.00 0.00 N ATOM 1602 CA ASN A 114 96.947 14.433 0.390 1.00 0.00 C ATOM 1603 C ASN A 114 97.077 13.043 -0.238 1.00 0.00 C ATOM 1604 O ASN A 114 98.168 12.530 -0.402 1.00 0.00 O ATOM 1605 CB ASN A 114 96.503 14.331 1.850 1.00 0.00 C ATOM 1606 CG ASN A 114 96.620 15.702 2.520 1.00 0.00 C ATOM 1607 OD1 ASN A 114 97.348 16.559 2.057 1.00 0.00 O ATOM 1608 ND2 ASN A 114 95.931 15.950 3.599 1.00 0.00 N ATOM 0 H ASN A 114 95.105 15.512 0.301 1.00 0.00 H new ATOM 0 HA ASN A 114 97.922 14.912 0.302 1.00 0.00 H new ATOM 0 HB2 ASN A 114 95.474 13.976 1.904 1.00 0.00 H new ATOM 0 HB3 ASN A 114 97.119 13.603 2.378 1.00 0.00 H new ATOM 0 HD21 ASN A 114 96.004 16.861 4.052 1.00 0.00 H new ATOM 0 HD22 ASN A 114 95.320 15.233 3.990 1.00 0.00 H new ATOM 1615 N CYS A 115 95.976 12.445 -0.618 1.00 0.00 N ATOM 1616 CA CYS A 115 96.039 11.101 -1.271 1.00 0.00 C ATOM 1617 C CYS A 115 96.689 11.233 -2.646 1.00 0.00 C ATOM 1618 O CYS A 115 97.496 10.413 -3.045 1.00 0.00 O ATOM 1619 CB CYS A 115 94.582 10.656 -1.434 1.00 0.00 C ATOM 1620 SG CYS A 115 94.115 9.563 -0.071 1.00 0.00 S ATOM 0 H CYS A 115 95.038 12.828 -0.505 1.00 0.00 H new ATOM 0 HA CYS A 115 96.621 10.389 -0.686 1.00 0.00 H new ATOM 0 HB2 CYS A 115 93.927 11.527 -1.454 1.00 0.00 H new ATOM 0 HB3 CYS A 115 94.455 10.140 -2.385 1.00 0.00 H new ATOM 1625 N ILE A 116 96.325 12.254 -3.376 1.00 0.00 N ATOM 1626 CA ILE A 116 96.900 12.439 -4.741 1.00 0.00 C ATOM 1627 C ILE A 116 98.404 12.703 -4.640 1.00 0.00 C ATOM 1628 O ILE A 116 99.186 12.204 -5.426 1.00 0.00 O ATOM 1629 CB ILE A 116 96.185 13.663 -5.333 1.00 0.00 C ATOM 1630 CG1 ILE A 116 94.657 13.462 -5.339 1.00 0.00 C ATOM 1631 CG2 ILE A 116 96.662 13.879 -6.771 1.00 0.00 C ATOM 1632 CD1 ILE A 116 94.282 12.176 -6.079 1.00 0.00 C ATOM 0 H ILE A 116 95.655 12.967 -3.087 1.00 0.00 H new ATOM 0 HA ILE A 116 96.762 11.555 -5.363 1.00 0.00 H new ATOM 0 HB ILE A 116 96.422 14.531 -4.717 1.00 0.00 H new ATOM 0 HG12 ILE A 116 94.287 13.419 -4.315 1.00 0.00 H new ATOM 0 HG13 ILE A 116 94.175 14.315 -5.816 1.00 0.00 H new ATOM 0 HG21 ILE A 116 96.157 14.747 -7.195 1.00 0.00 H new ATOM 0 HG22 ILE A 116 97.739 14.047 -6.776 1.00 0.00 H new ATOM 0 HG23 ILE A 116 96.430 12.997 -7.368 1.00 0.00 H new ATOM 0 HD11 ILE A 116 93.199 12.054 -6.071 1.00 0.00 H new ATOM 0 HD12 ILE A 116 94.633 12.234 -7.109 1.00 0.00 H new ATOM 0 HD13 ILE A 116 94.747 11.323 -5.585 1.00 0.00 H new ATOM 1644 N ASN A 117 98.807 13.488 -3.674 1.00 0.00 N ATOM 1645 CA ASN A 117 100.260 13.799 -3.509 1.00 0.00 C ATOM 1646 C ASN A 117 101.021 12.562 -3.026 1.00 0.00 C ATOM 1647 O ASN A 117 102.128 12.296 -3.455 1.00 0.00 O ATOM 1648 CB ASN A 117 100.315 14.904 -2.455 1.00 0.00 C ATOM 1649 CG ASN A 117 99.752 16.199 -3.043 1.00 0.00 C ATOM 1650 OD1 ASN A 117 99.850 16.433 -4.231 1.00 0.00 O ATOM 1651 ND2 ASN A 117 99.153 17.053 -2.257 1.00 0.00 N ATOM 0 H ASN A 117 98.191 13.928 -2.990 1.00 0.00 H new ATOM 0 HA ASN A 117 100.720 14.107 -4.448 1.00 0.00 H new ATOM 0 HB2 ASN A 117 99.741 14.612 -1.576 1.00 0.00 H new ATOM 0 HB3 ASN A 117 101.343 15.058 -2.127 1.00 0.00 H new ATOM 0 HD21 ASN A 117 98.768 17.916 -2.641 1.00 0.00 H new ATOM 0 HD22 ASN A 117 99.070 16.857 -1.259 1.00 0.00 H new ATOM 1658 N GLY A 118 100.435 11.812 -2.129 1.00 0.00 N ATOM 1659 CA GLY A 118 101.116 10.596 -1.597 1.00 0.00 C ATOM 1660 C GLY A 118 101.310 9.567 -2.712 1.00 0.00 C ATOM 1661 O GLY A 118 102.406 9.087 -2.937 1.00 0.00 O ATOM 0 H GLY A 118 99.509 11.991 -1.741 1.00 0.00 H new ATOM 0 HA2 GLY A 118 102.082 10.868 -1.172 1.00 0.00 H new ATOM 0 HA3 GLY A 118 100.524 10.162 -0.791 1.00 0.00 H new ATOM 1665 N ALA A 119 100.256 9.218 -3.403 1.00 0.00 N ATOM 1666 CA ALA A 119 100.377 8.209 -4.501 1.00 0.00 C ATOM 1667 C ALA A 119 101.294 8.730 -5.611 1.00 0.00 C ATOM 1668 O ALA A 119 102.133 8.014 -6.121 1.00 0.00 O ATOM 1669 CB ALA A 119 98.955 8.017 -5.031 1.00 0.00 C ATOM 0 H ALA A 119 99.317 9.587 -3.256 1.00 0.00 H new ATOM 0 HA ALA A 119 100.810 7.274 -4.146 1.00 0.00 H new ATOM 0 HB1 ALA A 119 98.964 7.288 -5.841 1.00 0.00 H new ATOM 0 HB2 ALA A 119 98.313 7.658 -4.227 1.00 0.00 H new ATOM 0 HB3 ALA A 119 98.574 8.968 -5.403 1.00 0.00 H new ATOM 1675 N ASN A 120 101.134 9.976 -5.992 1.00 0.00 N ATOM 1676 CA ASN A 120 101.987 10.567 -7.076 1.00 0.00 C ATOM 1677 C ASN A 120 101.966 9.688 -8.333 1.00 0.00 C ATOM 1678 O ASN A 120 102.699 9.995 -9.260 1.00 0.00 O ATOM 1679 CB ASN A 120 103.400 10.636 -6.494 1.00 0.00 C ATOM 1680 CG ASN A 120 104.225 11.655 -7.281 1.00 0.00 C ATOM 1681 OD1 ASN A 120 103.757 12.740 -7.567 1.00 0.00 O ATOM 1682 ND2 ASN A 120 105.441 11.353 -7.645 1.00 0.00 N ATOM 1683 OXT ASN A 120 101.217 8.724 -8.348 1.00 0.00 O ATOM 0 H ASN A 120 100.444 10.614 -5.596 1.00 0.00 H new ATOM 0 HA ASN A 120 101.623 11.549 -7.378 1.00 0.00 H new ATOM 0 HB2 ASN A 120 103.358 10.920 -5.442 1.00 0.00 H new ATOM 0 HB3 ASN A 120 103.873 9.655 -6.541 1.00 0.00 H new ATOM 0 HD21 ASN A 120 105.999 12.027 -8.169 1.00 0.00 H new ATOM 0 HD22 ASN A 120 105.834 10.443 -7.405 1.00 0.00 H new