USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 938 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 MET CE :methyl -147:sc= -1.29 (180deg=0) USER MOD Set 1.2: A 105 THR OG1 : rot -130:sc= -1.42 USER MOD Set 2.1: A 1 MET CE :methyl 151:sc= -0.0661 (180deg=-1.44) USER MOD Set 2.2: A 88 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.077) USER MOD Single : A 1 MET N :NH3+ 144:sc= 0.0751 (180deg=-0.341) USER MOD Single : A 2 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0159) USER MOD Single : A 7 SER OG : rot 71:sc= -0.266! USER MOD Single : A 8 SER OG : rot -95:sc= -1.93! USER MOD Single : A 10 THR OG1 : rot 97:sc= -0.978 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl 168:sc= -0.0103 (180deg=-0.184) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.457 K(o=-0.46,f=-2.7!) USER MOD Single : A 38 SER OG : rot 55:sc= 0.0842 USER MOD Single : A 39 SER OG : rot 160:sc= -2.1 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-1!) USER MOD Single : A 63 ASN : amide:sc= -0.193 K(o=-0.19,f=-2!) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.156) USER MOD Single : A 72 SER OG : rot 71:sc= 1.05 USER MOD Single : A 73 SER OG : rot 180:sc= -0.818 USER MOD Single : A 77 ASN : amide:sc= -0.103 K(o=-0.1,f=-0.72) USER MOD Single : A 83 ASN : amide:sc= -0.232 K(o=-0.23,f=-3.1) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -70:sc= -1.65 USER MOD Single : A 95 THR OG1 : rot -1:sc= 0.972 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 100 ASN :FLIP amide:sc= -0.0648 F(o=-0.58,f=-0.065) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 ASN : amide:sc= -0.0368 X(o=-0.037,f=-0.5) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= -0.0812 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.830 2.054 -3.694 1.00 0.00 N ATOM 2 CA MET A 1 7.644 2.013 -4.596 1.00 0.00 C ATOM 3 C MET A 1 6.401 1.634 -3.789 1.00 0.00 C ATOM 4 O MET A 1 6.495 1.079 -2.712 1.00 0.00 O ATOM 5 CB MET A 1 7.877 0.973 -5.694 1.00 0.00 C ATOM 6 CG MET A 1 8.202 -0.380 -5.058 1.00 0.00 C ATOM 7 SD MET A 1 7.422 -1.702 -6.017 1.00 0.00 S ATOM 8 CE MET A 1 8.027 -1.189 -7.644 1.00 0.00 C ATOM 0 H1 MET A 1 9.667 1.707 -4.205 1.00 0.00 H new ATOM 0 H2 MET A 1 8.996 3.032 -3.382 1.00 0.00 H new ATOM 0 H3 MET A 1 8.656 1.451 -2.864 1.00 0.00 H new ATOM 0 HA MET A 1 7.497 2.994 -5.048 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.990 0.887 -6.322 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.696 1.289 -6.340 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.281 -0.528 -5.025 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.846 -0.405 -4.028 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.125 -2.063 -8.288 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.322 -0.487 -8.090 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.999 -0.707 -7.536 1.00 0.00 H new ATOM 20 N LYS A 2 5.236 1.930 -4.299 1.00 0.00 N ATOM 21 CA LYS A 2 3.991 1.585 -3.559 1.00 0.00 C ATOM 22 C LYS A 2 3.010 0.888 -4.503 1.00 0.00 C ATOM 23 O LYS A 2 2.926 1.208 -5.673 1.00 0.00 O ATOM 24 CB LYS A 2 3.350 2.865 -3.013 1.00 0.00 C ATOM 25 CG LYS A 2 3.532 2.922 -1.495 1.00 0.00 C ATOM 26 CD LYS A 2 2.234 3.399 -0.843 1.00 0.00 C ATOM 27 CE LYS A 2 2.525 4.606 0.052 1.00 0.00 C ATOM 28 NZ LYS A 2 1.497 5.659 -0.184 1.00 0.00 N ATOM 0 H LYS A 2 5.094 2.395 -5.195 1.00 0.00 H new ATOM 0 HA LYS A 2 4.235 0.918 -2.732 1.00 0.00 H new ATOM 0 HB2 LYS A 2 3.806 3.739 -3.477 1.00 0.00 H new ATOM 0 HB3 LYS A 2 2.289 2.888 -3.264 1.00 0.00 H new ATOM 0 HG2 LYS A 2 3.803 1.938 -1.113 1.00 0.00 H new ATOM 0 HG3 LYS A 2 4.349 3.598 -1.241 1.00 0.00 H new ATOM 0 HD2 LYS A 2 1.507 3.668 -1.609 1.00 0.00 H new ATOM 0 HD3 LYS A 2 1.793 2.594 -0.254 1.00 0.00 H new ATOM 0 HE2 LYS A 2 2.519 4.305 1.100 1.00 0.00 H new ATOM 0 HE3 LYS A 2 3.519 4.999 -0.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 1.732 6.505 0.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 1.477 5.904 -1.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 0.563 5.303 0.104 1.00 0.00 H new ATOM 42 N ILE A 3 2.269 -0.064 -4.006 1.00 0.00 N ATOM 43 CA ILE A 3 1.295 -0.782 -4.875 1.00 0.00 C ATOM 44 C ILE A 3 -0.123 -0.564 -4.344 1.00 0.00 C ATOM 45 O ILE A 3 -0.524 -1.149 -3.358 1.00 0.00 O ATOM 46 CB ILE A 3 1.614 -2.278 -4.872 1.00 0.00 C ATOM 47 CG1 ILE A 3 2.939 -2.518 -5.598 1.00 0.00 C ATOM 48 CG2 ILE A 3 0.496 -3.040 -5.585 1.00 0.00 C ATOM 49 CD1 ILE A 3 3.793 -3.495 -4.789 1.00 0.00 C ATOM 0 H ILE A 3 2.296 -0.376 -3.035 1.00 0.00 H new ATOM 0 HA ILE A 3 1.365 -0.396 -5.892 1.00 0.00 H new ATOM 0 HB ILE A 3 1.694 -2.630 -3.844 1.00 0.00 H new ATOM 0 HG12 ILE A 3 2.753 -2.920 -6.594 1.00 0.00 H new ATOM 0 HG13 ILE A 3 3.471 -1.575 -5.729 1.00 0.00 H new ATOM 0 HG21 ILE A 3 0.723 -4.106 -5.583 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.448 -2.869 -5.068 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.415 -2.689 -6.614 1.00 0.00 H new ATOM 0 HD11 ILE A 3 4.737 -3.667 -5.306 1.00 0.00 H new ATOM 0 HD12 ILE A 3 3.990 -3.075 -3.802 1.00 0.00 H new ATOM 0 HD13 ILE A 3 3.261 -4.440 -4.682 1.00 0.00 H new ATOM 61 N ALA A 4 -0.885 0.273 -4.993 1.00 0.00 N ATOM 62 CA ALA A 4 -2.277 0.527 -4.527 1.00 0.00 C ATOM 63 C ALA A 4 -3.261 -0.165 -5.472 1.00 0.00 C ATOM 64 O ALA A 4 -3.348 0.159 -6.640 1.00 0.00 O ATOM 65 CB ALA A 4 -2.547 2.033 -4.523 1.00 0.00 C ATOM 0 H ALA A 4 -0.604 0.792 -5.825 1.00 0.00 H new ATOM 0 HA ALA A 4 -2.402 0.134 -3.518 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -3.565 2.219 -4.182 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -1.844 2.527 -3.852 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -2.424 2.427 -5.532 1.00 0.00 H new ATOM 71 N ILE A 5 -4.003 -1.118 -4.979 1.00 0.00 N ATOM 72 CA ILE A 5 -4.977 -1.831 -5.852 1.00 0.00 C ATOM 73 C ILE A 5 -6.354 -1.177 -5.720 1.00 0.00 C ATOM 74 O ILE A 5 -6.921 -1.109 -4.648 1.00 0.00 O ATOM 75 CB ILE A 5 -5.064 -3.298 -5.427 1.00 0.00 C ATOM 76 CG1 ILE A 5 -3.652 -3.876 -5.310 1.00 0.00 C ATOM 77 CG2 ILE A 5 -5.851 -4.089 -6.472 1.00 0.00 C ATOM 78 CD1 ILE A 5 -3.287 -4.041 -3.834 1.00 0.00 C ATOM 0 H ILE A 5 -3.977 -1.434 -4.009 1.00 0.00 H new ATOM 0 HA ILE A 5 -4.646 -1.773 -6.889 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.570 -3.367 -4.464 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -3.599 -4.839 -5.818 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -2.936 -3.217 -5.801 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.912 -5.134 -6.168 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -6.856 -3.677 -6.559 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.347 -4.021 -7.436 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.281 -4.453 -3.752 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.323 -3.070 -3.340 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -3.996 -4.718 -3.357 1.00 0.00 H new ATOM 90 N ALA A 6 -6.896 -0.695 -6.805 1.00 0.00 N ATOM 91 CA ALA A 6 -8.236 -0.045 -6.745 1.00 0.00 C ATOM 92 C ALA A 6 -9.277 -1.065 -6.278 1.00 0.00 C ATOM 93 O ALA A 6 -9.148 -2.250 -6.514 1.00 0.00 O ATOM 94 CB ALA A 6 -8.616 0.468 -8.135 1.00 0.00 C ATOM 0 H ALA A 6 -6.469 -0.723 -7.731 1.00 0.00 H new ATOM 0 HA ALA A 6 -8.204 0.790 -6.045 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.596 0.943 -8.092 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.875 1.194 -8.470 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.648 -0.367 -8.835 1.00 0.00 H new ATOM 100 N SER A 7 -10.308 -0.614 -5.617 1.00 0.00 N ATOM 101 CA SER A 7 -11.358 -1.555 -5.135 1.00 0.00 C ATOM 102 C SER A 7 -10.709 -2.671 -4.313 1.00 0.00 C ATOM 103 O SER A 7 -9.503 -2.810 -4.279 1.00 0.00 O ATOM 104 CB SER A 7 -12.091 -2.163 -6.333 1.00 0.00 C ATOM 105 OG SER A 7 -11.368 -1.878 -7.523 1.00 0.00 O ATOM 0 H SER A 7 -10.468 0.367 -5.390 1.00 0.00 H new ATOM 0 HA SER A 7 -12.069 -1.013 -4.512 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.190 -3.241 -6.204 1.00 0.00 H new ATOM 0 HB3 SER A 7 -13.100 -1.756 -6.401 1.00 0.00 H new ATOM 0 HG SER A 7 -10.541 -2.404 -7.537 1.00 0.00 H new ATOM 111 N SER A 8 -11.503 -3.467 -3.649 1.00 0.00 N ATOM 112 CA SER A 8 -10.939 -4.574 -2.825 1.00 0.00 C ATOM 113 C SER A 8 -12.000 -5.060 -1.836 1.00 0.00 C ATOM 114 O SER A 8 -12.086 -6.232 -1.528 1.00 0.00 O ATOM 115 CB SER A 8 -9.718 -4.069 -2.055 1.00 0.00 C ATOM 116 OG SER A 8 -9.826 -2.664 -1.875 1.00 0.00 O ATOM 0 H SER A 8 -12.521 -3.398 -3.642 1.00 0.00 H new ATOM 0 HA SER A 8 -10.641 -5.396 -3.476 1.00 0.00 H new ATOM 0 HB2 SER A 8 -9.652 -4.567 -1.088 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.805 -4.308 -2.600 1.00 0.00 H new ATOM 0 HG SER A 8 -9.336 -2.204 -2.588 1.00 0.00 H new ATOM 122 N GLY A 9 -12.808 -4.167 -1.334 1.00 0.00 N ATOM 123 CA GLY A 9 -13.864 -4.574 -0.364 1.00 0.00 C ATOM 124 C GLY A 9 -13.229 -4.836 1.002 1.00 0.00 C ATOM 125 O GLY A 9 -13.865 -5.341 1.906 1.00 0.00 O ATOM 0 H GLY A 9 -12.783 -3.171 -1.554 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -14.618 -3.791 -0.282 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -14.372 -5.471 -0.719 1.00 0.00 H new ATOM 129 N THR A 10 -11.980 -4.494 1.162 1.00 0.00 N ATOM 130 CA THR A 10 -11.307 -4.723 2.471 1.00 0.00 C ATOM 131 C THR A 10 -11.284 -6.222 2.777 1.00 0.00 C ATOM 132 O THR A 10 -11.069 -6.633 3.899 1.00 0.00 O ATOM 133 CB THR A 10 -12.074 -3.989 3.574 1.00 0.00 C ATOM 134 OG1 THR A 10 -12.670 -2.818 3.033 1.00 0.00 O ATOM 135 CG2 THR A 10 -11.110 -3.602 4.696 1.00 0.00 C ATOM 0 H THR A 10 -11.397 -4.066 0.443 1.00 0.00 H new ATOM 0 HA THR A 10 -10.285 -4.346 2.426 1.00 0.00 H new ATOM 0 HB THR A 10 -12.850 -4.641 3.975 1.00 0.00 H new ATOM 0 HG1 THR A 10 -13.605 -3.002 2.805 1.00 0.00 H new ATOM 0 HG21 THR A 10 -11.656 -3.079 5.481 1.00 0.00 H new ATOM 0 HG22 THR A 10 -10.653 -4.501 5.109 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.333 -2.949 4.299 1.00 0.00 H new ATOM 143 N ASP A 11 -11.506 -7.043 1.786 1.00 0.00 N ATOM 144 CA ASP A 11 -11.496 -8.515 2.023 1.00 0.00 C ATOM 145 C ASP A 11 -11.611 -9.251 0.686 1.00 0.00 C ATOM 146 O ASP A 11 -11.467 -8.666 -0.370 1.00 0.00 O ATOM 147 CB ASP A 11 -12.676 -8.894 2.919 1.00 0.00 C ATOM 148 CG ASP A 11 -12.306 -10.115 3.762 1.00 0.00 C ATOM 149 OD1 ASP A 11 -11.137 -10.465 3.781 1.00 0.00 O ATOM 150 OD2 ASP A 11 -13.197 -10.679 4.376 1.00 0.00 O ATOM 0 H ASP A 11 -11.693 -6.759 0.825 1.00 0.00 H new ATOM 0 HA ASP A 11 -10.563 -8.798 2.511 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -12.938 -8.057 3.567 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -13.553 -9.112 2.310 1.00 0.00 H new ATOM 155 N LEU A 12 -11.868 -10.530 0.721 1.00 0.00 N ATOM 156 CA LEU A 12 -11.989 -11.303 -0.549 1.00 0.00 C ATOM 157 C LEU A 12 -13.377 -11.079 -1.157 1.00 0.00 C ATOM 158 O LEU A 12 -13.688 -11.587 -2.216 1.00 0.00 O ATOM 159 CB LEU A 12 -11.794 -12.793 -0.260 1.00 0.00 C ATOM 160 CG LEU A 12 -10.483 -13.000 0.501 1.00 0.00 C ATOM 161 CD1 LEU A 12 -10.677 -14.074 1.572 1.00 0.00 C ATOM 162 CD2 LEU A 12 -9.393 -13.449 -0.477 1.00 0.00 C ATOM 0 H LEU A 12 -12.000 -11.074 1.574 1.00 0.00 H new ATOM 0 HA LEU A 12 -11.227 -10.965 -1.252 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -12.631 -13.173 0.326 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -11.777 -13.356 -1.193 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.187 -12.064 0.975 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -9.743 -14.221 2.114 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.454 -13.758 2.268 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.973 -15.010 1.099 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.458 -13.597 0.063 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.691 -14.385 -0.950 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.253 -12.685 -1.242 1.00 0.00 H new ATOM 174 N GLY A 13 -14.213 -10.324 -0.498 1.00 0.00 N ATOM 175 CA GLY A 13 -15.577 -10.073 -1.042 1.00 0.00 C ATOM 176 C GLY A 13 -15.470 -9.399 -2.411 1.00 0.00 C ATOM 177 O GLY A 13 -15.907 -9.931 -3.411 1.00 0.00 O ATOM 0 H GLY A 13 -14.010 -9.871 0.393 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -16.122 -11.013 -1.130 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -16.141 -9.440 -0.357 1.00 0.00 H new ATOM 181 N SER A 14 -14.890 -8.231 -2.465 1.00 0.00 N ATOM 182 CA SER A 14 -14.757 -7.524 -3.769 1.00 0.00 C ATOM 183 C SER A 14 -13.617 -8.148 -4.574 1.00 0.00 C ATOM 184 O SER A 14 -12.504 -7.660 -4.572 1.00 0.00 O ATOM 185 CB SER A 14 -14.454 -6.046 -3.522 1.00 0.00 C ATOM 186 OG SER A 14 -15.641 -5.286 -3.707 1.00 0.00 O ATOM 0 H SER A 14 -14.503 -7.736 -1.662 1.00 0.00 H new ATOM 0 HA SER A 14 -15.689 -7.615 -4.326 1.00 0.00 H new ATOM 0 HB2 SER A 14 -14.072 -5.905 -2.511 1.00 0.00 H new ATOM 0 HB3 SER A 14 -13.678 -5.703 -4.206 1.00 0.00 H new ATOM 0 HG SER A 14 -15.451 -4.338 -3.548 1.00 0.00 H new ATOM 192 N GLU A 15 -13.886 -9.220 -5.265 1.00 0.00 N ATOM 193 CA GLU A 15 -12.821 -9.875 -6.077 1.00 0.00 C ATOM 194 C GLU A 15 -12.516 -9.008 -7.298 1.00 0.00 C ATOM 195 O GLU A 15 -13.027 -9.234 -8.376 1.00 0.00 O ATOM 196 CB GLU A 15 -13.303 -11.252 -6.539 1.00 0.00 C ATOM 197 CG GLU A 15 -13.603 -12.125 -5.321 1.00 0.00 C ATOM 198 CD GLU A 15 -14.896 -12.906 -5.560 1.00 0.00 C ATOM 199 OE1 GLU A 15 -15.183 -13.199 -6.710 1.00 0.00 O ATOM 200 OE2 GLU A 15 -15.579 -13.197 -4.591 1.00 0.00 O ATOM 0 H GLU A 15 -14.799 -9.672 -5.303 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.921 -9.991 -5.474 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -14.197 -11.148 -7.154 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.542 -11.725 -7.160 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -12.777 -12.814 -5.142 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.700 -11.504 -4.430 1.00 0.00 H new ATOM 207 N VAL A 16 -11.688 -8.012 -7.137 1.00 0.00 N ATOM 208 CA VAL A 16 -11.355 -7.128 -8.288 1.00 0.00 C ATOM 209 C VAL A 16 -12.624 -6.419 -8.765 1.00 0.00 C ATOM 210 O VAL A 16 -13.080 -6.621 -9.873 1.00 0.00 O ATOM 211 CB VAL A 16 -10.782 -7.971 -9.429 1.00 0.00 C ATOM 212 CG1 VAL A 16 -10.267 -7.050 -10.536 1.00 0.00 C ATOM 213 CG2 VAL A 16 -9.628 -8.826 -8.898 1.00 0.00 C ATOM 0 H VAL A 16 -11.228 -7.773 -6.258 1.00 0.00 H new ATOM 0 HA VAL A 16 -10.617 -6.388 -7.979 1.00 0.00 H new ATOM 0 HB VAL A 16 -11.561 -8.619 -9.830 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -9.859 -7.651 -11.349 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -11.088 -6.440 -10.913 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.487 -6.402 -10.137 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.218 -9.428 -9.709 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.849 -8.177 -8.498 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.995 -9.482 -8.109 1.00 0.00 H new ATOM 223 N SER A 17 -13.200 -5.594 -7.935 1.00 0.00 N ATOM 224 CA SER A 17 -14.441 -4.874 -8.340 1.00 0.00 C ATOM 225 C SER A 17 -14.282 -4.350 -9.768 1.00 0.00 C ATOM 226 O SER A 17 -13.183 -4.194 -10.264 1.00 0.00 O ATOM 227 CB SER A 17 -14.684 -3.701 -7.390 1.00 0.00 C ATOM 228 OG SER A 17 -16.016 -3.234 -7.554 1.00 0.00 O ATOM 0 H SER A 17 -12.865 -5.387 -6.994 1.00 0.00 H new ATOM 0 HA SER A 17 -15.289 -5.558 -8.296 1.00 0.00 H new ATOM 0 HB2 SER A 17 -14.520 -4.013 -6.359 1.00 0.00 H new ATOM 0 HB3 SER A 17 -13.977 -2.898 -7.596 1.00 0.00 H new ATOM 0 HG SER A 17 -16.177 -2.483 -6.946 1.00 0.00 H new ATOM 234 N ARG A 18 -15.370 -4.075 -10.433 1.00 0.00 N ATOM 235 CA ARG A 18 -15.280 -3.559 -11.828 1.00 0.00 C ATOM 236 C ARG A 18 -15.357 -2.032 -11.810 1.00 0.00 C ATOM 237 O ARG A 18 -15.842 -1.413 -12.737 1.00 0.00 O ATOM 238 CB ARG A 18 -16.439 -4.121 -12.653 1.00 0.00 C ATOM 239 CG ARG A 18 -16.481 -5.644 -12.508 1.00 0.00 C ATOM 240 CD ARG A 18 -17.656 -6.201 -13.313 1.00 0.00 C ATOM 241 NE ARG A 18 -17.640 -5.617 -14.683 1.00 0.00 N ATOM 242 CZ ARG A 18 -16.607 -5.802 -15.458 1.00 0.00 C ATOM 243 NH1 ARG A 18 -15.835 -6.839 -15.278 1.00 0.00 N ATOM 244 NH2 ARG A 18 -16.345 -4.951 -16.412 1.00 0.00 N ATOM 0 H ARG A 18 -16.317 -4.185 -10.071 1.00 0.00 H new ATOM 0 HA ARG A 18 -14.335 -3.869 -12.273 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -17.381 -3.688 -12.318 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -16.318 -3.849 -13.701 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -15.546 -6.079 -12.861 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -16.584 -5.917 -11.458 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -17.590 -7.288 -13.368 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -18.596 -5.964 -12.816 1.00 0.00 H new ATOM 0 HE ARG A 18 -18.436 -5.073 -15.015 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -16.040 -7.504 -14.532 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -15.027 -6.985 -15.883 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -16.948 -4.140 -16.552 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -15.537 -5.096 -17.017 1.00 0.00 H new ATOM 258 N PHE A 19 -14.882 -1.417 -10.762 1.00 0.00 N ATOM 259 CA PHE A 19 -14.929 0.070 -10.684 1.00 0.00 C ATOM 260 C PHE A 19 -13.531 0.609 -10.372 1.00 0.00 C ATOM 261 O PHE A 19 -12.681 -0.098 -9.868 1.00 0.00 O ATOM 262 CB PHE A 19 -15.901 0.490 -9.580 1.00 0.00 C ATOM 263 CG PHE A 19 -17.315 0.190 -10.016 1.00 0.00 C ATOM 264 CD1 PHE A 19 -17.843 -1.095 -9.840 1.00 0.00 C ATOM 265 CD2 PHE A 19 -18.099 1.197 -10.595 1.00 0.00 C ATOM 266 CE1 PHE A 19 -19.156 -1.374 -10.244 1.00 0.00 C ATOM 267 CE2 PHE A 19 -19.412 0.918 -10.999 1.00 0.00 C ATOM 268 CZ PHE A 19 -19.940 -0.368 -10.823 1.00 0.00 C ATOM 0 H PHE A 19 -14.463 -1.881 -9.956 1.00 0.00 H new ATOM 0 HA PHE A 19 -15.267 0.476 -11.638 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -15.673 -0.043 -8.657 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -15.792 1.554 -9.369 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -17.239 -1.871 -9.393 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -17.692 2.188 -10.730 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -19.563 -2.365 -10.109 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -20.016 1.694 -11.446 1.00 0.00 H new ATOM 0 HZ PHE A 19 -20.952 -0.584 -11.134 1.00 0.00 H new ATOM 278 N PHE A 20 -13.283 1.855 -10.672 1.00 0.00 N ATOM 279 CA PHE A 20 -11.935 2.433 -10.396 1.00 0.00 C ATOM 280 C PHE A 20 -12.082 3.795 -9.710 1.00 0.00 C ATOM 281 O PHE A 20 -11.261 4.183 -8.903 1.00 0.00 O ATOM 282 CB PHE A 20 -11.182 2.605 -11.718 1.00 0.00 C ATOM 283 CG PHE A 20 -9.802 3.165 -11.456 1.00 0.00 C ATOM 284 CD1 PHE A 20 -9.171 2.941 -10.224 1.00 0.00 C ATOM 285 CD2 PHE A 20 -9.151 3.908 -12.450 1.00 0.00 C ATOM 286 CE1 PHE A 20 -7.890 3.460 -9.989 1.00 0.00 C ATOM 287 CE2 PHE A 20 -7.872 4.427 -12.214 1.00 0.00 C ATOM 288 CZ PHE A 20 -7.242 4.204 -10.984 1.00 0.00 C ATOM 0 H PHE A 20 -13.953 2.497 -11.095 1.00 0.00 H new ATOM 0 HA PHE A 20 -11.381 1.762 -9.740 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -11.103 1.645 -12.229 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -11.736 3.273 -12.378 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -9.671 2.369 -9.457 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -9.636 4.081 -13.399 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -7.403 3.286 -9.041 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -7.372 4.999 -12.981 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.256 4.606 -10.802 1.00 0.00 H new ATOM 298 N GLY A 21 -13.116 4.527 -10.026 1.00 0.00 N ATOM 299 CA GLY A 21 -13.302 5.864 -9.391 1.00 0.00 C ATOM 300 C GLY A 21 -14.349 5.769 -8.280 1.00 0.00 C ATOM 301 O GLY A 21 -14.236 6.407 -7.252 1.00 0.00 O ATOM 0 H GLY A 21 -13.838 4.258 -10.694 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -12.355 6.217 -8.982 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.617 6.591 -10.139 1.00 0.00 H new ATOM 305 N ARG A 22 -15.373 4.984 -8.478 1.00 0.00 N ATOM 306 CA ARG A 22 -16.428 4.856 -7.432 1.00 0.00 C ATOM 307 C ARG A 22 -16.004 3.816 -6.394 1.00 0.00 C ATOM 308 O ARG A 22 -16.425 3.856 -5.255 1.00 0.00 O ATOM 309 CB ARG A 22 -17.742 4.419 -8.083 1.00 0.00 C ATOM 310 CG ARG A 22 -18.798 5.506 -7.879 1.00 0.00 C ATOM 311 CD ARG A 22 -19.737 5.541 -9.086 1.00 0.00 C ATOM 312 NE ARG A 22 -18.938 5.717 -10.332 1.00 0.00 N ATOM 313 CZ ARG A 22 -19.297 5.109 -11.430 1.00 0.00 C ATOM 314 NH1 ARG A 22 -20.562 4.913 -11.686 1.00 0.00 N ATOM 315 NH2 ARG A 22 -18.391 4.697 -12.273 1.00 0.00 N ATOM 0 H ARG A 22 -15.525 4.426 -9.318 1.00 0.00 H new ATOM 0 HA ARG A 22 -16.566 5.819 -6.941 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -17.591 4.239 -9.147 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -18.082 3.480 -7.646 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -19.366 5.310 -6.969 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -18.317 6.476 -7.752 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -20.314 4.618 -9.138 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -20.451 6.358 -8.981 1.00 0.00 H new ATOM 0 HE ARG A 22 -18.110 6.313 -10.327 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -21.271 5.235 -11.028 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -20.841 4.438 -12.544 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -17.402 4.850 -12.074 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -18.671 4.222 -13.131 1.00 0.00 H new ATOM 329 N ALA A 23 -15.175 2.884 -6.779 1.00 0.00 N ATOM 330 CA ALA A 23 -14.725 1.837 -5.818 1.00 0.00 C ATOM 331 C ALA A 23 -14.411 2.481 -4.461 1.00 0.00 C ATOM 332 O ALA A 23 -13.374 3.094 -4.298 1.00 0.00 O ATOM 333 CB ALA A 23 -13.462 1.164 -6.360 1.00 0.00 C ATOM 0 H ALA A 23 -14.789 2.802 -7.720 1.00 0.00 H new ATOM 0 HA ALA A 23 -15.515 1.097 -5.694 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -13.129 0.397 -5.660 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -13.680 0.705 -7.324 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.676 1.910 -6.482 1.00 0.00 H new ATOM 339 N PRO A 24 -15.315 2.320 -3.525 1.00 0.00 N ATOM 340 CA PRO A 24 -15.159 2.872 -2.166 1.00 0.00 C ATOM 341 C PRO A 24 -14.256 1.967 -1.318 1.00 0.00 C ATOM 342 O PRO A 24 -14.521 1.725 -0.158 1.00 0.00 O ATOM 343 CB PRO A 24 -16.588 2.872 -1.615 1.00 0.00 C ATOM 344 CG PRO A 24 -17.370 1.815 -2.431 1.00 0.00 C ATOM 345 CD PRO A 24 -16.579 1.585 -3.733 1.00 0.00 C ATOM 0 HA PRO A 24 -14.698 3.860 -2.157 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -16.595 2.626 -0.553 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -17.044 3.857 -1.717 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -17.467 0.886 -1.868 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -18.380 2.163 -2.648 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -16.399 0.524 -3.907 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -17.121 1.963 -4.600 1.00 0.00 H new ATOM 353 N TYR A 25 -13.193 1.463 -1.887 1.00 0.00 N ATOM 354 CA TYR A 25 -12.282 0.575 -1.114 1.00 0.00 C ATOM 355 C TYR A 25 -10.902 0.567 -1.776 1.00 0.00 C ATOM 356 O TYR A 25 -10.475 -0.426 -2.331 1.00 0.00 O ATOM 357 CB TYR A 25 -12.848 -0.846 -1.097 1.00 0.00 C ATOM 358 CG TYR A 25 -14.078 -0.890 -0.223 1.00 0.00 C ATOM 359 CD1 TYR A 25 -13.950 -1.095 1.157 1.00 0.00 C ATOM 360 CD2 TYR A 25 -15.348 -0.729 -0.793 1.00 0.00 C ATOM 361 CE1 TYR A 25 -15.092 -1.137 1.968 1.00 0.00 C ATOM 362 CE2 TYR A 25 -16.491 -0.770 0.019 1.00 0.00 C ATOM 363 CZ TYR A 25 -16.362 -0.975 1.399 1.00 0.00 C ATOM 364 OH TYR A 25 -17.486 -1.017 2.197 1.00 0.00 O ATOM 0 H TYR A 25 -12.918 1.629 -2.855 1.00 0.00 H new ATOM 0 HA TYR A 25 -12.195 0.942 -0.091 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -13.098 -1.161 -2.110 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -12.098 -1.543 -0.722 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -12.971 -1.221 1.596 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -15.447 -0.573 -1.857 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -14.993 -1.294 3.032 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -17.470 -0.644 -0.419 1.00 0.00 H new ATOM 0 HH TYR A 25 -18.285 -0.886 1.644 1.00 0.00 H new ATOM 374 N PHE A 26 -10.203 1.667 -1.724 1.00 0.00 N ATOM 375 CA PHE A 26 -8.855 1.722 -2.352 1.00 0.00 C ATOM 376 C PHE A 26 -7.817 1.141 -1.390 1.00 0.00 C ATOM 377 O PHE A 26 -7.588 1.664 -0.318 1.00 0.00 O ATOM 378 CB PHE A 26 -8.499 3.175 -2.669 1.00 0.00 C ATOM 379 CG PHE A 26 -7.847 3.247 -4.028 1.00 0.00 C ATOM 380 CD1 PHE A 26 -8.629 3.160 -5.187 1.00 0.00 C ATOM 381 CD2 PHE A 26 -6.458 3.399 -4.130 1.00 0.00 C ATOM 382 CE1 PHE A 26 -8.022 3.223 -6.448 1.00 0.00 C ATOM 383 CE2 PHE A 26 -5.850 3.462 -5.392 1.00 0.00 C ATOM 384 CZ PHE A 26 -6.633 3.375 -6.551 1.00 0.00 C ATOM 0 H PHE A 26 -10.508 2.530 -1.273 1.00 0.00 H new ATOM 0 HA PHE A 26 -8.861 1.139 -3.273 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.397 3.793 -2.651 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -7.825 3.570 -1.909 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -9.700 3.044 -5.108 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -5.855 3.468 -3.236 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -8.625 3.154 -7.341 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.779 3.577 -5.471 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.166 3.425 -7.523 1.00 0.00 H new ATOM 394 N MET A 27 -7.186 0.060 -1.763 1.00 0.00 N ATOM 395 CA MET A 27 -6.165 -0.553 -0.869 1.00 0.00 C ATOM 396 C MET A 27 -4.775 -0.034 -1.244 1.00 0.00 C ATOM 397 O MET A 27 -4.402 -0.010 -2.401 1.00 0.00 O ATOM 398 CB MET A 27 -6.200 -2.075 -1.025 1.00 0.00 C ATOM 399 CG MET A 27 -6.226 -2.729 0.357 1.00 0.00 C ATOM 400 SD MET A 27 -6.017 -4.519 0.181 1.00 0.00 S ATOM 401 CE MET A 27 -7.467 -5.010 1.147 1.00 0.00 C ATOM 0 H MET A 27 -7.334 -0.424 -2.648 1.00 0.00 H new ATOM 0 HA MET A 27 -6.383 -0.287 0.165 1.00 0.00 H new ATOM 0 HB2 MET A 27 -7.079 -2.372 -1.596 1.00 0.00 H new ATOM 0 HB3 MET A 27 -5.327 -2.414 -1.583 1.00 0.00 H new ATOM 0 HG2 MET A 27 -5.431 -2.319 0.980 1.00 0.00 H new ATOM 0 HG3 MET A 27 -7.169 -2.510 0.857 1.00 0.00 H new ATOM 0 HE1 MET A 27 -7.660 -6.072 0.999 1.00 0.00 H new ATOM 0 HE2 MET A 27 -7.282 -4.819 2.204 1.00 0.00 H new ATOM 0 HE3 MET A 27 -8.333 -4.435 0.821 1.00 0.00 H new ATOM 411 N ILE A 28 -4.005 0.382 -0.275 1.00 0.00 N ATOM 412 CA ILE A 28 -2.641 0.898 -0.577 1.00 0.00 C ATOM 413 C ILE A 28 -1.622 0.199 0.325 1.00 0.00 C ATOM 414 O ILE A 28 -1.655 0.327 1.533 1.00 0.00 O ATOM 415 CB ILE A 28 -2.597 2.406 -0.320 1.00 0.00 C ATOM 416 CG1 ILE A 28 -1.285 2.977 -0.865 1.00 0.00 C ATOM 417 CG2 ILE A 28 -2.679 2.670 1.186 1.00 0.00 C ATOM 418 CD1 ILE A 28 -1.519 4.404 -1.364 1.00 0.00 C ATOM 0 H ILE A 28 -4.262 0.386 0.712 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.401 0.700 -1.622 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.439 2.884 -0.820 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.523 2.973 -0.086 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.914 2.352 -1.677 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.648 3.744 1.369 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.611 2.262 1.577 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.836 2.192 1.686 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -0.585 4.811 -1.752 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.268 4.394 -2.156 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.871 5.025 -0.540 1.00 0.00 H new ATOM 430 N VAL A 29 -0.714 -0.540 -0.252 1.00 0.00 N ATOM 431 CA VAL A 29 0.305 -1.248 0.573 1.00 0.00 C ATOM 432 C VAL A 29 1.705 -0.867 0.088 1.00 0.00 C ATOM 433 O VAL A 29 2.003 -0.930 -1.088 1.00 0.00 O ATOM 434 CB VAL A 29 0.109 -2.758 0.440 1.00 0.00 C ATOM 435 CG1 VAL A 29 1.217 -3.488 1.202 1.00 0.00 C ATOM 436 CG2 VAL A 29 -1.251 -3.147 1.023 1.00 0.00 C ATOM 0 H VAL A 29 -0.634 -0.684 -1.259 1.00 0.00 H new ATOM 0 HA VAL A 29 0.193 -0.960 1.618 1.00 0.00 H new ATOM 0 HB VAL A 29 0.149 -3.038 -0.613 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.076 -4.565 1.106 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.187 -3.211 0.788 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.179 -3.209 2.255 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.393 -4.224 0.929 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.289 -2.866 2.076 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.041 -2.628 0.480 1.00 0.00 H new ATOM 446 N GLU A 30 2.567 -0.471 0.984 1.00 0.00 N ATOM 447 CA GLU A 30 3.946 -0.084 0.571 1.00 0.00 C ATOM 448 C GLU A 30 4.905 -1.250 0.824 1.00 0.00 C ATOM 449 O GLU A 30 5.357 -1.465 1.930 1.00 0.00 O ATOM 450 CB GLU A 30 4.398 1.133 1.381 1.00 0.00 C ATOM 451 CG GLU A 30 5.650 1.738 0.741 1.00 0.00 C ATOM 452 CD GLU A 30 6.255 2.779 1.686 1.00 0.00 C ATOM 453 OE1 GLU A 30 5.584 3.760 1.962 1.00 0.00 O ATOM 454 OE2 GLU A 30 7.379 2.578 2.115 1.00 0.00 O ATOM 0 H GLU A 30 2.376 -0.399 1.983 1.00 0.00 H new ATOM 0 HA GLU A 30 3.950 0.163 -0.491 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.601 1.875 1.417 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.608 0.840 2.410 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.379 0.955 0.531 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.396 2.201 -0.213 1.00 0.00 H new ATOM 461 N MET A 31 5.222 -2.000 -0.196 1.00 0.00 N ATOM 462 CA MET A 31 6.154 -3.148 -0.016 1.00 0.00 C ATOM 463 C MET A 31 7.597 -2.637 -0.039 1.00 0.00 C ATOM 464 O MET A 31 7.971 -1.845 -0.880 1.00 0.00 O ATOM 465 CB MET A 31 5.950 -4.153 -1.152 1.00 0.00 C ATOM 466 CG MET A 31 6.210 -5.570 -0.636 1.00 0.00 C ATOM 467 SD MET A 31 4.632 -6.428 -0.406 1.00 0.00 S ATOM 468 CE MET A 31 4.496 -7.105 -2.079 1.00 0.00 C ATOM 0 H MET A 31 4.876 -1.867 -1.146 1.00 0.00 H new ATOM 0 HA MET A 31 5.954 -3.635 0.939 1.00 0.00 H new ATOM 0 HB2 MET A 31 4.934 -4.077 -1.540 1.00 0.00 H new ATOM 0 HB3 MET A 31 6.625 -3.926 -1.977 1.00 0.00 H new ATOM 0 HG2 MET A 31 6.834 -6.117 -1.343 1.00 0.00 H new ATOM 0 HG3 MET A 31 6.756 -5.531 0.307 1.00 0.00 H new ATOM 0 HE1 MET A 31 3.446 -7.152 -2.368 1.00 0.00 H new ATOM 0 HE2 MET A 31 5.036 -6.464 -2.776 1.00 0.00 H new ATOM 0 HE3 MET A 31 4.924 -8.107 -2.102 1.00 0.00 H new ATOM 478 N LYS A 32 8.409 -3.081 0.881 1.00 0.00 N ATOM 479 CA LYS A 32 9.823 -2.613 0.911 1.00 0.00 C ATOM 480 C LYS A 32 10.726 -3.658 0.251 1.00 0.00 C ATOM 481 O LYS A 32 11.276 -3.434 -0.809 1.00 0.00 O ATOM 482 CB LYS A 32 10.261 -2.404 2.363 1.00 0.00 C ATOM 483 CG LYS A 32 10.334 -0.904 2.664 1.00 0.00 C ATOM 484 CD LYS A 32 11.729 -0.555 3.186 1.00 0.00 C ATOM 485 CE LYS A 32 11.623 0.561 4.227 1.00 0.00 C ATOM 486 NZ LYS A 32 12.975 1.132 4.483 1.00 0.00 N ATOM 0 H LYS A 32 8.155 -3.746 1.611 1.00 0.00 H new ATOM 0 HA LYS A 32 9.903 -1.672 0.367 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.556 -2.888 3.040 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.233 -2.867 2.531 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.118 -0.331 1.763 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.580 -0.633 3.403 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.194 -1.436 3.629 1.00 0.00 H new ATOM 0 HD3 LYS A 32 12.368 -0.238 2.362 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.949 1.340 3.873 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.200 0.170 5.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.903 1.891 5.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 13.606 0.385 4.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.362 1.519 3.599 1.00 0.00 H new ATOM 500 N LYS A 33 10.887 -4.796 0.869 1.00 0.00 N ATOM 501 CA LYS A 33 11.757 -5.849 0.272 1.00 0.00 C ATOM 502 C LYS A 33 11.007 -7.183 0.248 1.00 0.00 C ATOM 503 O LYS A 33 11.193 -8.026 1.104 1.00 0.00 O ATOM 504 CB LYS A 33 13.030 -5.993 1.109 1.00 0.00 C ATOM 505 CG LYS A 33 14.218 -5.422 0.333 1.00 0.00 C ATOM 506 CD LYS A 33 15.490 -6.187 0.708 1.00 0.00 C ATOM 507 CE LYS A 33 15.671 -7.374 -0.242 1.00 0.00 C ATOM 508 NZ LYS A 33 16.193 -8.544 0.520 1.00 0.00 N ATOM 0 H LYS A 33 10.455 -5.042 1.760 1.00 0.00 H new ATOM 0 HA LYS A 33 12.021 -5.566 -0.747 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.916 -5.468 2.058 1.00 0.00 H new ATOM 0 HB3 LYS A 33 13.206 -7.043 1.344 1.00 0.00 H new ATOM 0 HG2 LYS A 33 14.037 -5.500 -0.739 1.00 0.00 H new ATOM 0 HG3 LYS A 33 14.338 -4.363 0.559 1.00 0.00 H new ATOM 0 HD2 LYS A 33 16.355 -5.526 0.650 1.00 0.00 H new ATOM 0 HD3 LYS A 33 15.426 -6.538 1.738 1.00 0.00 H new ATOM 0 HE2 LYS A 33 14.720 -7.627 -0.711 1.00 0.00 H new ATOM 0 HE3 LYS A 33 16.362 -7.111 -1.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 16.316 -9.351 -0.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 17.109 -8.299 0.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 15.518 -8.799 1.269 1.00 0.00 H new ATOM 522 N GLY A 34 10.165 -7.383 -0.728 1.00 0.00 N ATOM 523 CA GLY A 34 9.406 -8.665 -0.810 1.00 0.00 C ATOM 524 C GLY A 34 8.708 -8.939 0.524 1.00 0.00 C ATOM 525 O GLY A 34 8.468 -10.073 0.887 1.00 0.00 O ATOM 0 H GLY A 34 9.969 -6.715 -1.473 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.670 -8.612 -1.612 1.00 0.00 H new ATOM 0 HA3 GLY A 34 10.083 -9.484 -1.052 1.00 0.00 H new ATOM 529 N ASN A 35 8.378 -7.911 1.257 1.00 0.00 N ATOM 530 CA ASN A 35 7.695 -8.119 2.565 1.00 0.00 C ATOM 531 C ASN A 35 6.743 -6.953 2.836 1.00 0.00 C ATOM 532 O ASN A 35 7.164 -5.848 3.119 1.00 0.00 O ATOM 533 CB ASN A 35 8.740 -8.194 3.680 1.00 0.00 C ATOM 534 CG ASN A 35 8.681 -9.572 4.344 1.00 0.00 C ATOM 535 OD1 ASN A 35 7.690 -10.267 4.241 1.00 0.00 O ATOM 536 ND2 ASN A 35 9.709 -9.997 5.026 1.00 0.00 N ATOM 0 H ASN A 35 8.552 -6.937 1.007 1.00 0.00 H new ATOM 0 HA ASN A 35 7.129 -9.050 2.534 1.00 0.00 H new ATOM 0 HB2 ASN A 35 9.735 -8.017 3.272 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.555 -7.414 4.419 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.681 -10.913 5.473 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.541 -9.413 5.112 1.00 0.00 H new ATOM 543 N ILE A 36 5.462 -7.187 2.754 1.00 0.00 N ATOM 544 CA ILE A 36 4.486 -6.091 3.010 1.00 0.00 C ATOM 545 C ILE A 36 4.859 -5.371 4.307 1.00 0.00 C ATOM 546 O ILE A 36 4.552 -5.826 5.391 1.00 0.00 O ATOM 547 CB ILE A 36 3.080 -6.679 3.140 1.00 0.00 C ATOM 548 CG1 ILE A 36 2.706 -7.394 1.839 1.00 0.00 C ATOM 549 CG2 ILE A 36 2.078 -5.554 3.408 1.00 0.00 C ATOM 550 CD1 ILE A 36 1.495 -8.295 2.082 1.00 0.00 C ATOM 0 H ILE A 36 5.049 -8.090 2.521 1.00 0.00 H new ATOM 0 HA ILE A 36 4.508 -5.384 2.181 1.00 0.00 H new ATOM 0 HB ILE A 36 3.058 -7.389 3.967 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.479 -6.664 1.062 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.548 -7.987 1.482 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.076 -5.973 3.501 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.344 -5.042 4.333 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.099 -4.844 2.582 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.229 -8.804 1.156 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.739 -9.034 2.845 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.653 -7.690 2.419 1.00 0.00 H new ATOM 562 N GLU A 37 5.523 -4.252 4.205 1.00 0.00 N ATOM 563 CA GLU A 37 5.919 -3.507 5.434 1.00 0.00 C ATOM 564 C GLU A 37 4.893 -2.409 5.722 1.00 0.00 C ATOM 565 O GLU A 37 5.097 -1.564 6.569 1.00 0.00 O ATOM 566 CB GLU A 37 7.297 -2.873 5.222 1.00 0.00 C ATOM 567 CG GLU A 37 8.382 -3.843 5.692 1.00 0.00 C ATOM 568 CD GLU A 37 9.760 -3.224 5.449 1.00 0.00 C ATOM 569 OE1 GLU A 37 9.808 -2.067 5.066 1.00 0.00 O ATOM 570 OE2 GLU A 37 10.743 -3.918 5.649 1.00 0.00 O ATOM 0 H GLU A 37 5.808 -3.822 3.325 1.00 0.00 H new ATOM 0 HA GLU A 37 5.959 -4.195 6.278 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.440 -2.633 4.169 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.367 -1.936 5.775 1.00 0.00 H new ATOM 0 HG2 GLU A 37 8.253 -4.064 6.751 1.00 0.00 H new ATOM 0 HG3 GLU A 37 8.297 -4.788 5.156 1.00 0.00 H new ATOM 577 N SER A 38 3.791 -2.415 5.024 1.00 0.00 N ATOM 578 CA SER A 38 2.755 -1.370 5.261 1.00 0.00 C ATOM 579 C SER A 38 1.472 -1.743 4.516 1.00 0.00 C ATOM 580 O SER A 38 1.472 -1.924 3.314 1.00 0.00 O ATOM 581 CB SER A 38 3.266 -0.021 4.754 1.00 0.00 C ATOM 582 OG SER A 38 3.465 0.852 5.859 1.00 0.00 O ATOM 0 H SER A 38 3.563 -3.097 4.301 1.00 0.00 H new ATOM 0 HA SER A 38 2.547 -1.302 6.329 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.200 -0.155 4.209 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.549 0.414 4.057 1.00 0.00 H new ATOM 0 HG SER A 38 4.057 0.424 6.512 1.00 0.00 H new ATOM 588 N SER A 39 0.378 -1.859 5.219 1.00 0.00 N ATOM 589 CA SER A 39 -0.904 -2.220 4.550 1.00 0.00 C ATOM 590 C SER A 39 -2.050 -1.423 5.176 1.00 0.00 C ATOM 591 O SER A 39 -2.457 -1.674 6.293 1.00 0.00 O ATOM 592 CB SER A 39 -1.168 -3.716 4.728 1.00 0.00 C ATOM 593 OG SER A 39 0.072 -4.405 4.823 1.00 0.00 O ATOM 0 H SER A 39 0.317 -1.719 6.228 1.00 0.00 H new ATOM 0 HA SER A 39 -0.837 -1.986 3.488 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.762 -3.888 5.626 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.745 -4.098 3.886 1.00 0.00 H new ATOM 0 HG SER A 39 -0.070 -5.277 5.247 1.00 0.00 H new ATOM 599 N GLU A 40 -2.575 -0.462 4.465 1.00 0.00 N ATOM 600 CA GLU A 40 -3.695 0.350 5.020 1.00 0.00 C ATOM 601 C GLU A 40 -4.810 0.460 3.977 1.00 0.00 C ATOM 602 O GLU A 40 -4.558 0.642 2.802 1.00 0.00 O ATOM 603 CB GLU A 40 -3.185 1.750 5.371 1.00 0.00 C ATOM 604 CG GLU A 40 -4.287 2.529 6.092 1.00 0.00 C ATOM 605 CD GLU A 40 -3.663 3.413 7.173 1.00 0.00 C ATOM 606 OE1 GLU A 40 -2.664 4.052 6.884 1.00 0.00 O ATOM 607 OE2 GLU A 40 -4.194 3.438 8.271 1.00 0.00 O ATOM 0 H GLU A 40 -2.277 -0.204 3.524 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.083 -0.131 5.918 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.301 1.678 6.005 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.885 2.277 4.465 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.839 3.142 5.380 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.002 1.839 6.540 1.00 0.00 H new ATOM 614 N VAL A 41 -6.040 0.347 4.396 1.00 0.00 N ATOM 615 CA VAL A 41 -7.167 0.443 3.427 1.00 0.00 C ATOM 616 C VAL A 41 -7.754 1.855 3.463 1.00 0.00 C ATOM 617 O VAL A 41 -7.655 2.556 4.450 1.00 0.00 O ATOM 618 CB VAL A 41 -8.251 -0.568 3.805 1.00 0.00 C ATOM 619 CG1 VAL A 41 -9.264 -0.679 2.664 1.00 0.00 C ATOM 620 CG2 VAL A 41 -7.607 -1.935 4.050 1.00 0.00 C ATOM 0 H VAL A 41 -6.313 0.192 5.367 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.801 0.227 2.423 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.759 -0.237 4.711 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -10.037 -1.399 2.932 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.721 0.295 2.487 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.757 -1.012 1.758 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -8.378 -2.657 4.320 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.100 -2.266 3.144 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.884 -1.856 4.862 1.00 0.00 H new ATOM 630 N ILE A 42 -8.367 2.278 2.391 1.00 0.00 N ATOM 631 CA ILE A 42 -8.963 3.643 2.360 1.00 0.00 C ATOM 632 C ILE A 42 -10.391 3.560 1.819 1.00 0.00 C ATOM 633 O ILE A 42 -10.652 2.901 0.831 1.00 0.00 O ATOM 634 CB ILE A 42 -8.125 4.547 1.454 1.00 0.00 C ATOM 635 CG1 ILE A 42 -6.711 4.674 2.025 1.00 0.00 C ATOM 636 CG2 ILE A 42 -8.769 5.933 1.379 1.00 0.00 C ATOM 637 CD1 ILE A 42 -5.692 4.597 0.888 1.00 0.00 C ATOM 0 H ILE A 42 -8.481 1.736 1.534 1.00 0.00 H new ATOM 0 HA ILE A 42 -8.978 4.057 3.368 1.00 0.00 H new ATOM 0 HB ILE A 42 -8.076 4.113 0.455 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.606 5.619 2.558 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.526 3.879 2.747 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -8.172 6.577 0.733 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -9.776 5.845 0.972 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -8.818 6.366 2.378 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -4.685 4.688 1.295 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.791 3.641 0.375 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.872 5.408 0.182 1.00 0.00 H new ATOM 649 N GLU A 43 -11.317 4.220 2.457 1.00 0.00 N ATOM 650 CA GLU A 43 -12.727 4.175 1.978 1.00 0.00 C ATOM 651 C GLU A 43 -12.972 5.326 1.001 1.00 0.00 C ATOM 652 O GLU A 43 -13.431 6.385 1.380 1.00 0.00 O ATOM 653 CB GLU A 43 -13.673 4.310 3.173 1.00 0.00 C ATOM 654 CG GLU A 43 -13.412 3.173 4.163 1.00 0.00 C ATOM 655 CD GLU A 43 -13.980 3.548 5.533 1.00 0.00 C ATOM 656 OE1 GLU A 43 -13.982 4.726 5.850 1.00 0.00 O ATOM 657 OE2 GLU A 43 -14.404 2.650 6.242 1.00 0.00 O ATOM 0 H GLU A 43 -11.159 4.788 3.289 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.910 3.227 1.473 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.524 5.273 3.661 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -14.709 4.281 2.835 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.874 2.253 3.806 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.341 2.983 4.241 1.00 0.00 H new ATOM 664 N ASN A 44 -12.670 5.126 -0.254 1.00 0.00 N ATOM 665 CA ASN A 44 -12.884 6.206 -1.261 1.00 0.00 C ATOM 666 C ASN A 44 -14.229 6.894 -0.995 1.00 0.00 C ATOM 667 O ASN A 44 -15.269 6.365 -1.339 1.00 0.00 O ATOM 668 CB ASN A 44 -12.895 5.597 -2.665 1.00 0.00 C ATOM 669 CG ASN A 44 -12.134 6.514 -3.626 1.00 0.00 C ATOM 670 OD1 ASN A 44 -12.730 7.308 -4.326 1.00 0.00 O ATOM 671 ND2 ASN A 44 -10.833 6.435 -3.688 1.00 0.00 N ATOM 0 H ASN A 44 -12.283 4.259 -0.626 1.00 0.00 H new ATOM 0 HA ASN A 44 -12.079 6.937 -1.186 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -12.435 4.609 -2.648 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -13.921 5.465 -3.008 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -10.315 7.040 -4.325 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -10.334 5.768 -3.100 1.00 0.00 H new ATOM 678 N PRO A 45 -14.171 8.050 -0.382 1.00 0.00 N ATOM 679 CA PRO A 45 -15.375 8.831 -0.048 1.00 0.00 C ATOM 680 C PRO A 45 -15.898 9.569 -1.284 1.00 0.00 C ATOM 681 O PRO A 45 -15.497 9.297 -2.399 1.00 0.00 O ATOM 682 CB PRO A 45 -14.879 9.818 1.011 1.00 0.00 C ATOM 683 CG PRO A 45 -13.349 9.940 0.814 1.00 0.00 C ATOM 684 CD PRO A 45 -12.904 8.688 0.034 1.00 0.00 C ATOM 0 HA PRO A 45 -16.202 8.214 0.305 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -15.364 10.787 0.895 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -15.114 9.462 2.014 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -13.100 10.848 0.264 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -12.838 10.000 1.775 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -12.290 8.953 -0.827 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -12.308 8.021 0.658 1.00 0.00 H new ATOM 692 N SER A 46 -16.789 10.502 -1.094 1.00 0.00 N ATOM 693 CA SER A 46 -17.339 11.258 -2.254 1.00 0.00 C ATOM 694 C SER A 46 -17.946 10.276 -3.259 1.00 0.00 C ATOM 695 O SER A 46 -17.864 10.468 -4.456 1.00 0.00 O ATOM 696 CB SER A 46 -16.215 12.048 -2.927 1.00 0.00 C ATOM 697 OG SER A 46 -15.295 12.490 -1.939 1.00 0.00 O ATOM 0 H SER A 46 -17.161 10.774 -0.184 1.00 0.00 H new ATOM 0 HA SER A 46 -18.109 11.947 -1.908 1.00 0.00 H new ATOM 0 HB2 SER A 46 -15.706 11.424 -3.661 1.00 0.00 H new ATOM 0 HB3 SER A 46 -16.627 12.902 -3.465 1.00 0.00 H new ATOM 0 HG SER A 46 -14.573 12.995 -2.367 1.00 0.00 H new ATOM 703 N ALA A 47 -18.556 9.225 -2.780 1.00 0.00 N ATOM 704 CA ALA A 47 -19.167 8.232 -3.707 1.00 0.00 C ATOM 705 C ALA A 47 -20.486 8.785 -4.251 1.00 0.00 C ATOM 706 O ALA A 47 -20.806 8.624 -5.413 1.00 0.00 O ATOM 707 CB ALA A 47 -19.435 6.927 -2.952 1.00 0.00 C ATOM 0 H ALA A 47 -18.657 9.012 -1.788 1.00 0.00 H new ATOM 0 HA ALA A 47 -18.484 8.040 -4.535 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -19.882 6.200 -3.630 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -18.496 6.532 -2.564 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -20.118 7.119 -2.124 1.00 0.00 H new ATOM 713 N SER A 48 -21.255 9.437 -3.423 1.00 0.00 N ATOM 714 CA SER A 48 -22.551 9.999 -3.895 1.00 0.00 C ATOM 715 C SER A 48 -22.303 11.353 -4.564 1.00 0.00 C ATOM 716 O SER A 48 -23.042 11.773 -5.432 1.00 0.00 O ATOM 717 CB SER A 48 -23.492 10.184 -2.703 1.00 0.00 C ATOM 718 OG SER A 48 -23.246 9.161 -1.748 1.00 0.00 O ATOM 0 H SER A 48 -21.042 9.605 -2.440 1.00 0.00 H new ATOM 0 HA SER A 48 -23.005 9.315 -4.612 1.00 0.00 H new ATOM 0 HB2 SER A 48 -23.337 11.164 -2.251 1.00 0.00 H new ATOM 0 HB3 SER A 48 -24.530 10.146 -3.035 1.00 0.00 H new ATOM 0 HG SER A 48 -23.846 9.277 -0.982 1.00 0.00 H new ATOM 724 N ALA A 49 -21.267 12.040 -4.167 1.00 0.00 N ATOM 725 CA ALA A 49 -20.971 13.366 -4.778 1.00 0.00 C ATOM 726 C ALA A 49 -20.133 13.171 -6.044 1.00 0.00 C ATOM 727 O ALA A 49 -19.383 12.223 -6.162 1.00 0.00 O ATOM 728 CB ALA A 49 -20.194 14.223 -3.777 1.00 0.00 C ATOM 0 H ALA A 49 -20.612 11.740 -3.445 1.00 0.00 H new ATOM 0 HA ALA A 49 -21.905 13.865 -5.037 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -19.976 15.194 -4.222 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -20.792 14.362 -2.876 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -19.260 13.724 -3.519 1.00 0.00 H new ATOM 734 N SER A 50 -20.256 14.061 -6.991 1.00 0.00 N ATOM 735 CA SER A 50 -19.466 13.925 -8.247 1.00 0.00 C ATOM 736 C SER A 50 -18.632 15.190 -8.467 1.00 0.00 C ATOM 737 O SER A 50 -19.124 16.296 -8.359 1.00 0.00 O ATOM 738 CB SER A 50 -20.417 13.731 -9.428 1.00 0.00 C ATOM 739 OG SER A 50 -21.757 13.707 -8.953 1.00 0.00 O ATOM 0 H SER A 50 -20.869 14.875 -6.949 1.00 0.00 H new ATOM 0 HA SER A 50 -18.804 13.063 -8.167 1.00 0.00 H new ATOM 0 HB2 SER A 50 -20.289 14.538 -10.149 1.00 0.00 H new ATOM 0 HB3 SER A 50 -20.186 12.801 -9.947 1.00 0.00 H new ATOM 0 HG SER A 50 -22.370 13.584 -9.708 1.00 0.00 H new ATOM 745 N GLY A 51 -17.374 15.035 -8.778 1.00 0.00 N ATOM 746 CA GLY A 51 -16.510 16.226 -9.006 1.00 0.00 C ATOM 747 C GLY A 51 -15.476 15.906 -10.086 1.00 0.00 C ATOM 748 O GLY A 51 -14.380 16.431 -10.086 1.00 0.00 O ATOM 0 H GLY A 51 -16.908 14.134 -8.884 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -17.119 17.077 -9.311 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -16.009 16.508 -8.080 1.00 0.00 H new ATOM 752 N GLY A 52 -15.815 15.047 -11.007 1.00 0.00 N ATOM 753 CA GLY A 52 -14.851 14.692 -12.087 1.00 0.00 C ATOM 754 C GLY A 52 -15.436 13.570 -12.947 1.00 0.00 C ATOM 755 O GLY A 52 -16.002 13.811 -13.995 1.00 0.00 O ATOM 0 H GLY A 52 -16.718 14.575 -11.059 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -14.642 15.566 -12.704 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -13.903 14.375 -11.653 1.00 0.00 H new ATOM 759 N ALA A 53 -15.302 12.346 -12.514 1.00 0.00 N ATOM 760 CA ALA A 53 -15.851 11.212 -13.309 1.00 0.00 C ATOM 761 C ALA A 53 -15.297 9.894 -12.766 1.00 0.00 C ATOM 762 O ALA A 53 -15.945 8.867 -12.821 1.00 0.00 O ATOM 763 CB ALA A 53 -15.439 11.372 -14.774 1.00 0.00 C ATOM 0 H ALA A 53 -14.837 12.083 -11.645 1.00 0.00 H new ATOM 0 HA ALA A 53 -16.938 11.208 -13.234 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -15.840 10.543 -15.357 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -15.832 12.312 -15.162 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -14.352 11.375 -14.848 1.00 0.00 H new ATOM 769 N GLY A 54 -14.101 9.913 -12.242 1.00 0.00 N ATOM 770 CA GLY A 54 -13.507 8.659 -11.696 1.00 0.00 C ATOM 771 C GLY A 54 -12.044 8.556 -12.129 1.00 0.00 C ATOM 772 O GLY A 54 -11.165 8.307 -11.327 1.00 0.00 O ATOM 0 H GLY A 54 -13.510 10.741 -12.169 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -13.576 8.655 -10.608 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -14.065 7.794 -12.054 1.00 0.00 H new ATOM 776 N ILE A 55 -11.775 8.742 -13.393 1.00 0.00 N ATOM 777 CA ILE A 55 -10.367 8.652 -13.876 1.00 0.00 C ATOM 778 C ILE A 55 -9.514 9.711 -13.174 1.00 0.00 C ATOM 779 O ILE A 55 -8.300 9.669 -13.212 1.00 0.00 O ATOM 780 CB ILE A 55 -10.331 8.885 -15.387 1.00 0.00 C ATOM 781 CG1 ILE A 55 -11.228 7.860 -16.083 1.00 0.00 C ATOM 782 CG2 ILE A 55 -8.896 8.728 -15.893 1.00 0.00 C ATOM 783 CD1 ILE A 55 -10.714 6.449 -15.792 1.00 0.00 C ATOM 0 H ILE A 55 -12.468 8.952 -14.111 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.970 7.662 -13.651 1.00 0.00 H new ATOM 0 HB ILE A 55 -10.688 9.891 -15.607 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -12.255 7.963 -15.733 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -11.238 8.040 -17.158 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -8.870 8.894 -16.970 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.254 9.456 -15.398 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -8.540 7.722 -15.672 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -11.354 5.719 -16.288 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -9.694 6.350 -16.163 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -10.727 6.271 -14.717 1.00 0.00 H new ATOM 795 N ARG A 56 -10.138 10.661 -12.533 1.00 0.00 N ATOM 796 CA ARG A 56 -9.360 11.722 -11.832 1.00 0.00 C ATOM 797 C ARG A 56 -8.561 11.101 -10.684 1.00 0.00 C ATOM 798 O ARG A 56 -7.446 11.496 -10.406 1.00 0.00 O ATOM 799 CB ARG A 56 -10.324 12.770 -11.271 1.00 0.00 C ATOM 800 CG ARG A 56 -9.525 13.935 -10.686 1.00 0.00 C ATOM 801 CD ARG A 56 -9.655 15.156 -11.600 1.00 0.00 C ATOM 802 NE ARG A 56 -9.762 14.707 -13.017 1.00 0.00 N ATOM 803 CZ ARG A 56 -10.558 15.332 -13.841 1.00 0.00 C ATOM 804 NH1 ARG A 56 -11.842 15.107 -13.804 1.00 0.00 N ATOM 805 NH2 ARG A 56 -10.069 16.180 -14.705 1.00 0.00 N ATOM 0 H ARG A 56 -11.152 10.749 -12.464 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.674 12.193 -12.536 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.987 13.129 -12.058 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.955 12.325 -10.502 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -9.890 14.175 -9.687 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.477 13.655 -10.583 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -10.535 15.738 -11.324 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.790 15.808 -11.478 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.213 13.911 -13.343 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -12.224 14.443 -13.131 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.464 15.595 -14.448 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.064 16.354 -14.736 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -10.692 16.668 -15.349 1.00 0.00 H new ATOM 819 N THR A 57 -9.122 10.132 -10.013 1.00 0.00 N ATOM 820 CA THR A 57 -8.396 9.486 -8.882 1.00 0.00 C ATOM 821 C THR A 57 -6.939 9.236 -9.279 1.00 0.00 C ATOM 822 O THR A 57 -6.042 9.305 -8.461 1.00 0.00 O ATOM 823 CB THR A 57 -9.069 8.152 -8.544 1.00 0.00 C ATOM 824 OG1 THR A 57 -10.310 8.401 -7.898 1.00 0.00 O ATOM 825 CG2 THR A 57 -8.163 7.337 -7.618 1.00 0.00 C ATOM 0 H THR A 57 -10.053 9.759 -10.199 1.00 0.00 H new ATOM 0 HA THR A 57 -8.424 10.142 -8.012 1.00 0.00 H new ATOM 0 HB THR A 57 -9.242 7.590 -9.462 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.743 7.549 -7.682 1.00 0.00 H new ATOM 0 HG21 THR A 57 -8.645 6.389 -7.380 1.00 0.00 H new ATOM 0 HG22 THR A 57 -7.212 7.146 -8.115 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.986 7.895 -6.699 1.00 0.00 H new ATOM 833 N ALA A 58 -6.695 8.942 -10.527 1.00 0.00 N ATOM 834 CA ALA A 58 -5.296 8.683 -10.973 1.00 0.00 C ATOM 835 C ALA A 58 -4.388 9.829 -10.521 1.00 0.00 C ATOM 836 O ALA A 58 -3.364 9.615 -9.904 1.00 0.00 O ATOM 837 CB ALA A 58 -5.262 8.578 -12.499 1.00 0.00 C ATOM 0 H ALA A 58 -7.404 8.870 -11.257 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.943 7.750 -10.533 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.240 8.389 -12.828 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.905 7.759 -12.822 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.617 9.511 -12.936 1.00 0.00 H new ATOM 843 N GLN A 59 -4.751 11.044 -10.827 1.00 0.00 N ATOM 844 CA GLN A 59 -3.905 12.202 -10.420 1.00 0.00 C ATOM 845 C GLN A 59 -3.657 12.162 -8.909 1.00 0.00 C ATOM 846 O GLN A 59 -2.608 12.548 -8.434 1.00 0.00 O ATOM 847 CB GLN A 59 -4.617 13.505 -10.784 1.00 0.00 C ATOM 848 CG GLN A 59 -3.608 14.494 -11.370 1.00 0.00 C ATOM 849 CD GLN A 59 -4.354 15.632 -12.068 1.00 0.00 C ATOM 850 OE1 GLN A 59 -5.527 15.842 -11.830 1.00 0.00 O ATOM 851 NE2 GLN A 59 -3.718 16.381 -12.928 1.00 0.00 N ATOM 0 H GLN A 59 -5.598 11.286 -11.342 1.00 0.00 H new ATOM 0 HA GLN A 59 -2.949 12.148 -10.941 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -5.410 13.309 -11.505 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.089 13.933 -9.900 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -2.973 14.893 -10.579 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -2.954 13.986 -12.078 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -2.733 16.205 -13.128 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -4.206 17.142 -13.400 1.00 0.00 H new ATOM 860 N ILE A 60 -4.614 11.706 -8.149 1.00 0.00 N ATOM 861 CA ILE A 60 -4.430 11.652 -6.671 1.00 0.00 C ATOM 862 C ILE A 60 -3.393 10.582 -6.318 1.00 0.00 C ATOM 863 O ILE A 60 -2.326 10.879 -5.818 1.00 0.00 O ATOM 864 CB ILE A 60 -5.764 11.314 -6.003 1.00 0.00 C ATOM 865 CG1 ILE A 60 -6.692 12.529 -6.081 1.00 0.00 C ATOM 866 CG2 ILE A 60 -5.528 10.951 -4.535 1.00 0.00 C ATOM 867 CD1 ILE A 60 -8.015 12.210 -5.383 1.00 0.00 C ATOM 0 H ILE A 60 -5.515 11.369 -8.487 1.00 0.00 H new ATOM 0 HA ILE A 60 -4.081 12.621 -6.315 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.221 10.468 -6.516 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.219 13.391 -5.610 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -6.873 12.794 -7.123 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.480 10.711 -4.062 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.865 10.088 -4.476 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -5.070 11.796 -4.020 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -8.674 13.076 -5.440 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -8.490 11.360 -5.874 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -7.825 11.966 -4.338 1.00 0.00 H new ATOM 879 N ILE A 61 -3.699 9.339 -6.571 1.00 0.00 N ATOM 880 CA ILE A 61 -2.733 8.252 -6.246 1.00 0.00 C ATOM 881 C ILE A 61 -1.365 8.578 -6.851 1.00 0.00 C ATOM 882 O ILE A 61 -0.350 8.062 -6.427 1.00 0.00 O ATOM 883 CB ILE A 61 -3.242 6.930 -6.824 1.00 0.00 C ATOM 884 CG1 ILE A 61 -3.595 7.125 -8.299 1.00 0.00 C ATOM 885 CG2 ILE A 61 -4.489 6.483 -6.058 1.00 0.00 C ATOM 886 CD1 ILE A 61 -4.053 5.793 -8.895 1.00 0.00 C ATOM 0 H ILE A 61 -4.576 9.029 -6.989 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.638 8.166 -5.164 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.467 6.170 -6.730 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.384 7.871 -8.400 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.729 7.501 -8.844 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.851 5.541 -6.470 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.240 6.347 -5.006 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.265 7.242 -6.152 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.305 5.932 -9.946 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.251 5.060 -8.808 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.931 5.436 -8.356 1.00 0.00 H new ATOM 898 N ALA A 62 -1.329 9.428 -7.840 1.00 0.00 N ATOM 899 CA ALA A 62 -0.026 9.781 -8.472 1.00 0.00 C ATOM 900 C ALA A 62 0.796 10.642 -7.509 1.00 0.00 C ATOM 901 O ALA A 62 1.967 10.403 -7.293 1.00 0.00 O ATOM 902 CB ALA A 62 -0.281 10.562 -9.762 1.00 0.00 C ATOM 0 H ALA A 62 -2.145 9.893 -8.238 1.00 0.00 H new ATOM 0 HA ALA A 62 0.524 8.868 -8.701 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.671 10.821 -10.225 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.864 9.949 -10.449 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.832 11.474 -9.532 1.00 0.00 H new ATOM 908 N ASN A 63 0.191 11.642 -6.931 1.00 0.00 N ATOM 909 CA ASN A 63 0.938 12.521 -5.986 1.00 0.00 C ATOM 910 C ASN A 63 1.113 11.807 -4.644 1.00 0.00 C ATOM 911 O ASN A 63 1.669 12.352 -3.710 1.00 0.00 O ATOM 912 CB ASN A 63 0.153 13.816 -5.772 1.00 0.00 C ATOM 913 CG ASN A 63 1.104 14.918 -5.303 1.00 0.00 C ATOM 914 OD1 ASN A 63 2.273 14.911 -5.635 1.00 0.00 O ATOM 915 ND2 ASN A 63 0.651 15.872 -4.536 1.00 0.00 N ATOM 0 H ASN A 63 -0.789 11.889 -7.072 1.00 0.00 H new ATOM 0 HA ASN A 63 1.919 12.749 -6.404 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.337 14.114 -6.699 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -0.632 13.660 -5.032 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.278 16.610 -4.216 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -0.330 15.879 -4.257 1.00 0.00 H new ATOM 922 N ASN A 64 0.643 10.594 -4.534 1.00 0.00 N ATOM 923 CA ASN A 64 0.783 9.857 -3.246 1.00 0.00 C ATOM 924 C ASN A 64 2.029 8.967 -3.291 1.00 0.00 C ATOM 925 O ASN A 64 2.361 8.302 -2.330 1.00 0.00 O ATOM 926 CB ASN A 64 -0.455 8.990 -3.016 1.00 0.00 C ATOM 927 CG ASN A 64 -1.239 9.530 -1.819 1.00 0.00 C ATOM 928 OD1 ASN A 64 -0.943 9.204 -0.686 1.00 0.00 O ATOM 929 ND2 ASN A 64 -2.234 10.349 -2.022 1.00 0.00 N ATOM 0 H ASN A 64 0.169 10.083 -5.279 1.00 0.00 H new ATOM 0 HA ASN A 64 0.882 10.574 -2.431 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -1.084 8.991 -3.907 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -0.160 7.956 -2.835 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -2.763 10.715 -1.230 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -2.483 10.623 -2.972 1.00 0.00 H new ATOM 936 N GLY A 65 2.721 8.949 -4.398 1.00 0.00 N ATOM 937 CA GLY A 65 3.943 8.100 -4.496 1.00 0.00 C ATOM 938 C GLY A 65 3.575 6.743 -5.096 1.00 0.00 C ATOM 939 O GLY A 65 4.430 5.985 -5.511 1.00 0.00 O ATOM 0 H GLY A 65 2.494 9.484 -5.236 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.692 8.593 -5.116 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.385 7.965 -3.509 1.00 0.00 H new ATOM 943 N VAL A 66 2.310 6.430 -5.146 1.00 0.00 N ATOM 944 CA VAL A 66 1.884 5.122 -5.719 1.00 0.00 C ATOM 945 C VAL A 66 2.553 4.914 -7.076 1.00 0.00 C ATOM 946 O VAL A 66 2.034 5.301 -8.104 1.00 0.00 O ATOM 947 CB VAL A 66 0.364 5.116 -5.894 1.00 0.00 C ATOM 948 CG1 VAL A 66 -0.093 3.726 -6.339 1.00 0.00 C ATOM 949 CG2 VAL A 66 -0.300 5.467 -4.560 1.00 0.00 C ATOM 0 H VAL A 66 1.551 7.025 -4.814 1.00 0.00 H new ATOM 0 HA VAL A 66 2.178 4.318 -5.045 1.00 0.00 H new ATOM 0 HB VAL A 66 0.081 5.850 -6.649 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.176 3.722 -6.464 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.382 3.473 -7.287 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.188 2.992 -5.584 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.383 5.464 -4.681 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.017 4.731 -3.808 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.026 6.457 -4.240 1.00 0.00 H new ATOM 959 N LYS A 67 3.700 4.295 -7.087 1.00 0.00 N ATOM 960 CA LYS A 67 4.397 4.048 -8.376 1.00 0.00 C ATOM 961 C LYS A 67 3.754 2.841 -9.061 1.00 0.00 C ATOM 962 O LYS A 67 4.057 2.520 -10.192 1.00 0.00 O ATOM 963 CB LYS A 67 5.876 3.760 -8.112 1.00 0.00 C ATOM 964 CG LYS A 67 6.662 5.073 -8.121 1.00 0.00 C ATOM 965 CD LYS A 67 7.006 5.452 -9.563 1.00 0.00 C ATOM 966 CE LYS A 67 8.517 5.342 -9.776 1.00 0.00 C ATOM 967 NZ LYS A 67 8.944 3.926 -9.586 1.00 0.00 N ATOM 0 H LYS A 67 4.184 3.950 -6.258 1.00 0.00 H new ATOM 0 HA LYS A 67 4.313 4.926 -9.017 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.994 3.260 -7.151 1.00 0.00 H new ATOM 0 HB3 LYS A 67 6.267 3.085 -8.873 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.074 5.864 -7.656 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.574 4.967 -7.534 1.00 0.00 H new ATOM 0 HD2 LYS A 67 6.482 4.795 -10.257 1.00 0.00 H new ATOM 0 HD3 LYS A 67 6.672 6.468 -9.772 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.779 5.681 -10.778 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.042 5.989 -9.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.873 3.781 -10.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 9.011 3.717 -8.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.247 3.291 -10.025 1.00 0.00 H new ATOM 981 N ALA A 68 2.863 2.170 -8.381 1.00 0.00 N ATOM 982 CA ALA A 68 2.197 0.985 -8.994 1.00 0.00 C ATOM 983 C ALA A 68 0.685 1.099 -8.795 1.00 0.00 C ATOM 984 O ALA A 68 0.204 1.219 -7.687 1.00 0.00 O ATOM 985 CB ALA A 68 2.707 -0.292 -8.323 1.00 0.00 C ATOM 0 H ALA A 68 2.568 2.391 -7.430 1.00 0.00 H new ATOM 0 HA ALA A 68 2.424 0.947 -10.059 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.220 -1.158 -8.771 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.785 -0.370 -8.461 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.479 -0.259 -7.258 1.00 0.00 H new ATOM 991 N VAL A 69 -0.070 1.066 -9.859 1.00 0.00 N ATOM 992 CA VAL A 69 -1.549 1.178 -9.720 1.00 0.00 C ATOM 993 C VAL A 69 -2.222 -0.059 -10.317 1.00 0.00 C ATOM 994 O VAL A 69 -2.291 -0.222 -11.519 1.00 0.00 O ATOM 995 CB VAL A 69 -2.035 2.426 -10.460 1.00 0.00 C ATOM 996 CG1 VAL A 69 -3.547 2.569 -10.279 1.00 0.00 C ATOM 997 CG2 VAL A 69 -1.335 3.660 -9.888 1.00 0.00 C ATOM 0 H VAL A 69 0.272 0.967 -10.815 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.806 1.253 -8.663 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.803 2.334 -11.521 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.894 3.458 -10.806 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.047 1.689 -10.684 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.779 2.662 -9.218 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.680 4.550 -10.414 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.568 3.752 -8.827 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.257 3.558 -10.015 1.00 0.00 H new ATOM 1007 N ILE A 70 -2.731 -0.928 -9.487 1.00 0.00 N ATOM 1008 CA ILE A 70 -3.408 -2.148 -10.009 1.00 0.00 C ATOM 1009 C ILE A 70 -4.853 -1.800 -10.372 1.00 0.00 C ATOM 1010 O ILE A 70 -5.697 -1.646 -9.511 1.00 0.00 O ATOM 1011 CB ILE A 70 -3.403 -3.240 -8.936 1.00 0.00 C ATOM 1012 CG1 ILE A 70 -2.023 -3.305 -8.279 1.00 0.00 C ATOM 1013 CG2 ILE A 70 -3.724 -4.590 -9.581 1.00 0.00 C ATOM 1014 CD1 ILE A 70 -0.986 -3.759 -9.308 1.00 0.00 C ATOM 0 H ILE A 70 -2.707 -0.846 -8.471 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.880 -2.509 -10.892 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.154 -3.009 -8.181 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.752 -2.327 -7.882 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.042 -3.997 -7.437 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.721 -5.368 -8.818 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -4.707 -4.545 -10.049 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.973 -4.820 -10.337 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -0.003 -3.805 -8.838 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.255 -4.746 -9.684 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.960 -3.050 -10.136 1.00 0.00 H new ATOM 1026 N ALA A 71 -5.145 -1.668 -11.636 1.00 0.00 N ATOM 1027 CA ALA A 71 -6.536 -1.324 -12.043 1.00 0.00 C ATOM 1028 C ALA A 71 -6.890 -2.050 -13.340 1.00 0.00 C ATOM 1029 O ALA A 71 -6.059 -2.687 -13.957 1.00 0.00 O ATOM 1030 CB ALA A 71 -6.642 0.187 -12.262 1.00 0.00 C ATOM 0 H ALA A 71 -4.483 -1.783 -12.403 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.227 -1.631 -11.258 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -7.659 0.441 -12.560 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -6.394 0.707 -11.337 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.948 0.491 -13.046 1.00 0.00 H new ATOM 1036 N SER A 72 -8.121 -1.955 -13.759 1.00 0.00 N ATOM 1037 CA SER A 72 -8.538 -2.635 -15.017 1.00 0.00 C ATOM 1038 C SER A 72 -9.589 -1.779 -15.729 1.00 0.00 C ATOM 1039 O SER A 72 -10.552 -2.284 -16.271 1.00 0.00 O ATOM 1040 CB SER A 72 -9.134 -4.003 -14.683 1.00 0.00 C ATOM 1041 OG SER A 72 -10.505 -3.847 -14.340 1.00 0.00 O ATOM 0 H SER A 72 -8.858 -1.435 -13.283 1.00 0.00 H new ATOM 0 HA SER A 72 -7.673 -2.766 -15.667 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.035 -4.674 -15.536 1.00 0.00 H new ATOM 0 HB3 SER A 72 -8.590 -4.457 -13.855 1.00 0.00 H new ATOM 0 HG SER A 72 -11.018 -3.613 -15.142 1.00 0.00 H new ATOM 1047 N SER A 73 -9.410 -0.485 -15.729 1.00 0.00 N ATOM 1048 CA SER A 73 -10.398 0.405 -16.403 1.00 0.00 C ATOM 1049 C SER A 73 -10.763 -0.174 -17.772 1.00 0.00 C ATOM 1050 O SER A 73 -9.958 -0.831 -18.401 1.00 0.00 O ATOM 1051 CB SER A 73 -9.789 1.795 -16.586 1.00 0.00 C ATOM 1052 OG SER A 73 -10.765 2.781 -16.276 1.00 0.00 O ATOM 0 H SER A 73 -8.623 -0.007 -15.292 1.00 0.00 H new ATOM 0 HA SER A 73 -11.296 0.477 -15.789 1.00 0.00 H new ATOM 0 HB2 SER A 73 -8.920 1.912 -15.939 1.00 0.00 H new ATOM 0 HB3 SER A 73 -9.442 1.920 -17.612 1.00 0.00 H new ATOM 0 HG SER A 73 -10.376 3.673 -16.391 1.00 0.00 H new ATOM 1058 N PRO A 74 -11.974 0.091 -18.192 1.00 0.00 N ATOM 1059 CA PRO A 74 -12.490 -0.385 -19.487 1.00 0.00 C ATOM 1060 C PRO A 74 -11.957 0.489 -20.626 1.00 0.00 C ATOM 1061 O PRO A 74 -12.331 0.329 -21.771 1.00 0.00 O ATOM 1062 CB PRO A 74 -14.006 -0.234 -19.346 1.00 0.00 C ATOM 1063 CG PRO A 74 -14.238 0.826 -18.243 1.00 0.00 C ATOM 1064 CD PRO A 74 -12.943 0.890 -17.413 1.00 0.00 C ATOM 0 HA PRO A 74 -12.189 -1.406 -19.721 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -14.454 0.081 -20.288 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -14.468 -1.184 -19.075 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -14.465 1.798 -18.681 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -15.087 0.553 -17.616 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -12.602 1.917 -17.286 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -13.089 0.477 -16.415 1.00 0.00 H new ATOM 1072 N GLY A 75 -11.088 1.414 -20.320 1.00 0.00 N ATOM 1073 CA GLY A 75 -10.534 2.299 -21.385 1.00 0.00 C ATOM 1074 C GLY A 75 -9.068 2.617 -21.079 1.00 0.00 C ATOM 1075 O GLY A 75 -8.677 2.689 -19.931 1.00 0.00 O ATOM 0 H GLY A 75 -10.738 1.595 -19.379 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -10.615 1.811 -22.356 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.112 3.221 -21.442 1.00 0.00 H new ATOM 1079 N PRO A 76 -8.298 2.797 -22.124 1.00 0.00 N ATOM 1080 CA PRO A 76 -6.862 3.112 -22.011 1.00 0.00 C ATOM 1081 C PRO A 76 -6.654 4.598 -21.692 1.00 0.00 C ATOM 1082 O PRO A 76 -5.554 5.107 -21.758 1.00 0.00 O ATOM 1083 CB PRO A 76 -6.315 2.779 -23.403 1.00 0.00 C ATOM 1084 CG PRO A 76 -7.519 2.845 -24.374 1.00 0.00 C ATOM 1085 CD PRO A 76 -8.789 2.699 -23.514 1.00 0.00 C ATOM 0 HA PRO A 76 -6.367 2.559 -21.212 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -5.541 3.488 -23.696 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -5.861 1.788 -23.415 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -7.526 3.790 -24.918 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -7.461 2.050 -25.117 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -9.513 3.483 -23.737 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -9.285 1.746 -23.695 1.00 0.00 H new ATOM 1093 N ASN A 77 -7.702 5.299 -21.350 1.00 0.00 N ATOM 1094 CA ASN A 77 -7.558 6.748 -21.033 1.00 0.00 C ATOM 1095 C ASN A 77 -6.883 6.913 -19.669 1.00 0.00 C ATOM 1096 O ASN A 77 -6.105 7.823 -19.458 1.00 0.00 O ATOM 1097 CB ASN A 77 -8.940 7.401 -21.000 1.00 0.00 C ATOM 1098 CG ASN A 77 -8.824 8.866 -21.424 1.00 0.00 C ATOM 1099 OD1 ASN A 77 -8.177 9.177 -22.404 1.00 0.00 O ATOM 1100 ND2 ASN A 77 -9.426 9.785 -20.721 1.00 0.00 N ATOM 0 H ASN A 77 -8.650 4.931 -21.277 1.00 0.00 H new ATOM 0 HA ASN A 77 -6.946 7.226 -21.798 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -9.620 6.871 -21.667 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -9.361 7.334 -19.997 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -9.354 10.765 -20.994 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -9.969 9.524 -19.898 1.00 0.00 H new ATOM 1107 N ALA A 78 -7.174 6.044 -18.740 1.00 0.00 N ATOM 1108 CA ALA A 78 -6.549 6.156 -17.392 1.00 0.00 C ATOM 1109 C ALA A 78 -5.052 5.856 -17.493 1.00 0.00 C ATOM 1110 O ALA A 78 -4.224 6.606 -17.016 1.00 0.00 O ATOM 1111 CB ALA A 78 -7.205 5.156 -16.439 1.00 0.00 C ATOM 0 H ALA A 78 -7.818 5.261 -18.856 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.691 7.168 -17.012 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.747 5.239 -15.453 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -8.271 5.371 -16.363 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.065 4.144 -16.820 1.00 0.00 H new ATOM 1117 N PHE A 79 -4.696 4.761 -18.108 1.00 0.00 N ATOM 1118 CA PHE A 79 -3.253 4.413 -18.236 1.00 0.00 C ATOM 1119 C PHE A 79 -2.552 5.454 -19.109 1.00 0.00 C ATOM 1120 O PHE A 79 -1.343 5.578 -19.095 1.00 0.00 O ATOM 1121 CB PHE A 79 -3.117 3.032 -18.879 1.00 0.00 C ATOM 1122 CG PHE A 79 -4.207 2.127 -18.356 1.00 0.00 C ATOM 1123 CD1 PHE A 79 -4.646 2.254 -17.031 1.00 0.00 C ATOM 1124 CD2 PHE A 79 -4.779 1.162 -19.195 1.00 0.00 C ATOM 1125 CE1 PHE A 79 -5.658 1.415 -16.546 1.00 0.00 C ATOM 1126 CE2 PHE A 79 -5.791 0.323 -18.709 1.00 0.00 C ATOM 1127 CZ PHE A 79 -6.230 0.450 -17.384 1.00 0.00 C ATOM 0 H PHE A 79 -5.342 4.093 -18.527 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.793 4.400 -17.248 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -3.187 3.115 -19.964 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -2.138 2.609 -18.654 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -4.205 2.998 -16.384 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -4.440 1.065 -20.216 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -5.997 1.513 -15.525 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -6.232 -0.421 -19.355 1.00 0.00 H new ATOM 0 HZ PHE A 79 -7.010 -0.197 -17.009 1.00 0.00 H new ATOM 1137 N GLU A 80 -3.298 6.205 -19.872 1.00 0.00 N ATOM 1138 CA GLU A 80 -2.671 7.237 -20.744 1.00 0.00 C ATOM 1139 C GLU A 80 -2.063 8.339 -19.876 1.00 0.00 C ATOM 1140 O GLU A 80 -0.923 8.721 -20.047 1.00 0.00 O ATOM 1141 CB GLU A 80 -3.734 7.840 -21.666 1.00 0.00 C ATOM 1142 CG GLU A 80 -3.231 7.816 -23.111 1.00 0.00 C ATOM 1143 CD GLU A 80 -2.920 9.243 -23.567 1.00 0.00 C ATOM 1144 OE1 GLU A 80 -3.558 10.155 -23.070 1.00 0.00 O ATOM 1145 OE2 GLU A 80 -2.049 9.398 -24.408 1.00 0.00 O ATOM 0 H GLU A 80 -4.315 6.148 -19.929 1.00 0.00 H new ATOM 0 HA GLU A 80 -1.887 6.776 -21.346 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.663 7.276 -21.584 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -3.954 8.864 -21.364 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.338 7.196 -23.186 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.983 7.371 -23.762 1.00 0.00 H new ATOM 1152 N VAL A 81 -2.817 8.856 -18.943 1.00 0.00 N ATOM 1153 CA VAL A 81 -2.281 9.935 -18.066 1.00 0.00 C ATOM 1154 C VAL A 81 -1.243 9.349 -17.107 1.00 0.00 C ATOM 1155 O VAL A 81 -0.193 9.920 -16.891 1.00 0.00 O ATOM 1156 CB VAL A 81 -3.425 10.558 -17.263 1.00 0.00 C ATOM 1157 CG1 VAL A 81 -2.998 11.935 -16.750 1.00 0.00 C ATOM 1158 CG2 VAL A 81 -4.656 10.710 -18.160 1.00 0.00 C ATOM 0 H VAL A 81 -3.779 8.578 -18.751 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.811 10.701 -18.683 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.667 9.913 -16.418 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.813 12.379 -16.178 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.121 11.829 -16.111 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.755 12.579 -17.595 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.471 11.154 -17.588 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.413 11.354 -19.005 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.962 9.730 -18.527 1.00 0.00 H new ATOM 1168 N LEU A 82 -1.527 8.215 -16.527 1.00 0.00 N ATOM 1169 CA LEU A 82 -0.553 7.599 -15.582 1.00 0.00 C ATOM 1170 C LEU A 82 0.832 7.559 -16.232 1.00 0.00 C ATOM 1171 O LEU A 82 1.815 7.965 -15.646 1.00 0.00 O ATOM 1172 CB LEU A 82 -0.997 6.173 -15.243 1.00 0.00 C ATOM 1173 CG LEU A 82 -2.192 6.219 -14.289 1.00 0.00 C ATOM 1174 CD1 LEU A 82 -2.496 4.807 -13.785 1.00 0.00 C ATOM 1175 CD2 LEU A 82 -1.862 7.124 -13.100 1.00 0.00 C ATOM 0 H LEU A 82 -2.390 7.689 -16.666 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.511 8.192 -14.669 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.267 5.639 -16.154 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.174 5.625 -14.785 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.062 6.613 -14.815 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.347 4.839 -13.105 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.731 4.161 -14.631 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.626 4.413 -13.259 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.714 7.157 -12.420 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -0.992 6.731 -12.574 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.645 8.130 -13.458 1.00 0.00 H new ATOM 1187 N ASN A 83 0.917 7.074 -17.440 1.00 0.00 N ATOM 1188 CA ASN A 83 2.240 7.011 -18.125 1.00 0.00 C ATOM 1189 C ASN A 83 2.798 8.428 -18.279 1.00 0.00 C ATOM 1190 O ASN A 83 3.991 8.646 -18.212 1.00 0.00 O ATOM 1191 CB ASN A 83 2.067 6.377 -19.506 1.00 0.00 C ATOM 1192 CG ASN A 83 2.874 5.079 -19.579 1.00 0.00 C ATOM 1193 OD1 ASN A 83 2.340 4.007 -19.379 1.00 0.00 O ATOM 1194 ND2 ASN A 83 4.148 5.132 -19.858 1.00 0.00 N ATOM 0 H ASN A 83 0.129 6.719 -17.982 1.00 0.00 H new ATOM 0 HA ASN A 83 2.931 6.410 -17.534 1.00 0.00 H new ATOM 0 HB2 ASN A 83 1.013 6.173 -19.694 1.00 0.00 H new ATOM 0 HB3 ASN A 83 2.401 7.069 -20.279 1.00 0.00 H new ATOM 0 HD21 ASN A 83 4.695 4.273 -19.908 1.00 0.00 H new ATOM 0 HD22 ASN A 83 4.596 6.033 -20.026 1.00 0.00 H new ATOM 1201 N GLU A 84 1.941 9.390 -18.486 1.00 0.00 N ATOM 1202 CA GLU A 84 2.419 10.793 -18.645 1.00 0.00 C ATOM 1203 C GLU A 84 3.000 11.291 -17.319 1.00 0.00 C ATOM 1204 O GLU A 84 3.838 12.170 -17.290 1.00 0.00 O ATOM 1205 CB GLU A 84 1.245 11.685 -19.055 1.00 0.00 C ATOM 1206 CG GLU A 84 1.533 12.311 -20.421 1.00 0.00 C ATOM 1207 CD GLU A 84 0.246 12.908 -20.991 1.00 0.00 C ATOM 1208 OE1 GLU A 84 -0.492 13.513 -20.230 1.00 0.00 O ATOM 1209 OE2 GLU A 84 0.019 12.750 -22.179 1.00 0.00 O ATOM 0 H GLU A 84 0.931 9.265 -18.552 1.00 0.00 H new ATOM 0 HA GLU A 84 3.191 10.829 -19.413 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.327 11.099 -19.098 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.090 12.466 -18.310 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.294 13.085 -20.325 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.929 11.558 -21.102 1.00 0.00 H new ATOM 1216 N LEU A 85 2.563 10.735 -16.222 1.00 0.00 N ATOM 1217 CA LEU A 85 3.092 11.179 -14.901 1.00 0.00 C ATOM 1218 C LEU A 85 4.195 10.219 -14.447 1.00 0.00 C ATOM 1219 O LEU A 85 4.547 10.168 -13.285 1.00 0.00 O ATOM 1220 CB LEU A 85 1.960 11.183 -13.871 1.00 0.00 C ATOM 1221 CG LEU A 85 1.516 12.623 -13.610 1.00 0.00 C ATOM 1222 CD1 LEU A 85 0.299 12.622 -12.683 1.00 0.00 C ATOM 1223 CD2 LEU A 85 2.660 13.396 -12.950 1.00 0.00 C ATOM 0 H LEU A 85 1.864 9.994 -16.183 1.00 0.00 H new ATOM 0 HA LEU A 85 3.500 12.186 -14.992 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.120 10.592 -14.235 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.296 10.721 -12.943 1.00 0.00 H new ATOM 0 HG LEU A 85 1.252 13.099 -14.554 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.017 13.648 -12.497 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.516 12.071 -13.153 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.562 12.146 -11.738 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.345 14.423 -12.763 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.924 12.920 -12.006 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.527 13.397 -13.610 1.00 0.00 H new ATOM 1235 N GLY A 86 4.743 9.460 -15.355 1.00 0.00 N ATOM 1236 CA GLY A 86 5.824 8.505 -14.978 1.00 0.00 C ATOM 1237 C GLY A 86 5.325 7.569 -13.876 1.00 0.00 C ATOM 1238 O GLY A 86 5.844 7.557 -12.778 1.00 0.00 O ATOM 0 H GLY A 86 4.489 9.459 -16.343 1.00 0.00 H new ATOM 0 HA2 GLY A 86 6.131 7.926 -15.849 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.702 9.052 -14.634 1.00 0.00 H new ATOM 1242 N ILE A 87 4.324 6.782 -14.161 1.00 0.00 N ATOM 1243 CA ILE A 87 3.797 5.846 -13.127 1.00 0.00 C ATOM 1244 C ILE A 87 3.638 4.452 -13.740 1.00 0.00 C ATOM 1245 O ILE A 87 3.300 4.308 -14.898 1.00 0.00 O ATOM 1246 CB ILE A 87 2.439 6.344 -12.628 1.00 0.00 C ATOM 1247 CG1 ILE A 87 2.618 7.694 -11.931 1.00 0.00 C ATOM 1248 CG2 ILE A 87 1.857 5.334 -11.637 1.00 0.00 C ATOM 1249 CD1 ILE A 87 1.247 8.281 -11.593 1.00 0.00 C ATOM 0 H ILE A 87 3.849 6.746 -15.063 1.00 0.00 H new ATOM 0 HA ILE A 87 4.493 5.799 -12.289 1.00 0.00 H new ATOM 0 HB ILE A 87 1.760 6.456 -13.473 1.00 0.00 H new ATOM 0 HG12 ILE A 87 3.206 7.570 -11.022 1.00 0.00 H new ATOM 0 HG13 ILE A 87 3.169 8.378 -12.577 1.00 0.00 H new ATOM 0 HG21 ILE A 87 0.890 5.689 -11.282 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.731 4.371 -12.131 1.00 0.00 H new ATOM 0 HG23 ILE A 87 2.535 5.222 -10.791 1.00 0.00 H new ATOM 0 HD11 ILE A 87 1.375 9.243 -11.096 1.00 0.00 H new ATOM 0 HD12 ILE A 87 0.674 8.420 -12.510 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.713 7.599 -10.931 1.00 0.00 H new ATOM 1261 N LYS A 88 3.878 3.425 -12.971 1.00 0.00 N ATOM 1262 CA LYS A 88 3.741 2.043 -13.510 1.00 0.00 C ATOM 1263 C LYS A 88 2.271 1.618 -13.454 1.00 0.00 C ATOM 1264 O LYS A 88 1.645 1.650 -12.412 1.00 0.00 O ATOM 1265 CB LYS A 88 4.584 1.082 -12.667 1.00 0.00 C ATOM 1266 CG LYS A 88 5.874 1.781 -12.231 1.00 0.00 C ATOM 1267 CD LYS A 88 7.071 0.870 -12.513 1.00 0.00 C ATOM 1268 CE LYS A 88 7.624 0.335 -11.192 1.00 0.00 C ATOM 1269 NZ LYS A 88 8.031 -1.089 -11.364 1.00 0.00 N ATOM 0 H LYS A 88 4.163 3.484 -11.993 1.00 0.00 H new ATOM 0 HA LYS A 88 4.087 2.018 -14.543 1.00 0.00 H new ATOM 0 HB2 LYS A 88 4.020 0.758 -11.792 1.00 0.00 H new ATOM 0 HB3 LYS A 88 4.820 0.187 -13.243 1.00 0.00 H new ATOM 0 HG2 LYS A 88 5.988 2.724 -12.766 1.00 0.00 H new ATOM 0 HG3 LYS A 88 5.829 2.021 -11.169 1.00 0.00 H new ATOM 0 HD2 LYS A 88 6.769 0.043 -13.155 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.845 1.422 -13.047 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.478 0.933 -10.874 1.00 0.00 H new ATOM 0 HE3 LYS A 88 6.869 0.417 -10.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 8.279 -1.493 -10.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 7.243 -1.628 -11.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.855 -1.141 -11.996 1.00 0.00 H new ATOM 1283 N ILE A 89 1.715 1.222 -14.566 1.00 0.00 N ATOM 1284 CA ILE A 89 0.286 0.799 -14.573 1.00 0.00 C ATOM 1285 C ILE A 89 0.205 -0.726 -14.647 1.00 0.00 C ATOM 1286 O ILE A 89 0.829 -1.350 -15.481 1.00 0.00 O ATOM 1287 CB ILE A 89 -0.421 1.406 -15.785 1.00 0.00 C ATOM 1288 CG1 ILE A 89 -0.216 2.923 -15.786 1.00 0.00 C ATOM 1289 CG2 ILE A 89 -1.917 1.095 -15.710 1.00 0.00 C ATOM 1290 CD1 ILE A 89 0.248 3.374 -17.172 1.00 0.00 C ATOM 0 H ILE A 89 2.187 1.173 -15.469 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.198 1.145 -13.660 1.00 0.00 H new ATOM 0 HB ILE A 89 -0.006 0.981 -16.699 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.146 3.426 -15.520 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.523 3.201 -15.035 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.422 1.527 -16.574 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -2.064 0.015 -15.706 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.332 1.521 -14.796 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.394 4.454 -17.173 1.00 0.00 H new ATOM 0 HD12 ILE A 89 1.188 2.880 -17.420 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.507 3.109 -17.912 1.00 0.00 H new ATOM 1302 N TYR A 90 -0.562 -1.329 -13.779 1.00 0.00 N ATOM 1303 CA TYR A 90 -0.690 -2.813 -13.793 1.00 0.00 C ATOM 1304 C TYR A 90 -2.139 -3.192 -14.116 1.00 0.00 C ATOM 1305 O TYR A 90 -3.051 -2.412 -13.923 1.00 0.00 O ATOM 1306 CB TYR A 90 -0.314 -3.370 -12.416 1.00 0.00 C ATOM 1307 CG TYR A 90 1.171 -3.649 -12.366 1.00 0.00 C ATOM 1308 CD1 TYR A 90 2.082 -2.687 -12.822 1.00 0.00 C ATOM 1309 CD2 TYR A 90 1.637 -4.870 -11.859 1.00 0.00 C ATOM 1310 CE1 TYR A 90 3.459 -2.947 -12.772 1.00 0.00 C ATOM 1311 CE2 TYR A 90 3.013 -5.129 -11.810 1.00 0.00 C ATOM 1312 CZ TYR A 90 3.924 -4.168 -12.267 1.00 0.00 C ATOM 1313 OH TYR A 90 5.279 -4.424 -12.218 1.00 0.00 O ATOM 0 H TYR A 90 -1.107 -0.855 -13.059 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.024 -3.231 -14.548 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -0.586 -2.657 -11.638 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -0.872 -4.285 -12.219 1.00 0.00 H new ATOM 0 HD1 TYR A 90 1.724 -1.746 -13.212 1.00 0.00 H new ATOM 0 HD2 TYR A 90 0.935 -5.611 -11.506 1.00 0.00 H new ATOM 0 HE1 TYR A 90 4.161 -2.205 -13.123 1.00 0.00 H new ATOM 0 HE2 TYR A 90 3.372 -6.070 -11.420 1.00 0.00 H new ATOM 0 HH TYR A 90 5.430 -5.315 -11.840 1.00 0.00 H new ATOM 1323 N ARG A 91 -2.358 -4.382 -14.606 1.00 0.00 N ATOM 1324 CA ARG A 91 -3.748 -4.805 -14.941 1.00 0.00 C ATOM 1325 C ARG A 91 -4.336 -5.603 -13.775 1.00 0.00 C ATOM 1326 O ARG A 91 -3.649 -6.363 -13.120 1.00 0.00 O ATOM 1327 CB ARG A 91 -3.724 -5.681 -16.196 1.00 0.00 C ATOM 1328 CG ARG A 91 -5.118 -6.264 -16.439 1.00 0.00 C ATOM 1329 CD ARG A 91 -5.339 -6.450 -17.942 1.00 0.00 C ATOM 1330 NE ARG A 91 -6.725 -6.033 -18.296 1.00 0.00 N ATOM 1331 CZ ARG A 91 -7.694 -6.907 -18.272 1.00 0.00 C ATOM 1332 NH1 ARG A 91 -7.495 -8.114 -18.724 1.00 0.00 N ATOM 1333 NH2 ARG A 91 -8.863 -6.573 -17.794 1.00 0.00 N ATOM 0 H ARG A 91 -1.636 -5.079 -14.789 1.00 0.00 H new ATOM 0 HA ARG A 91 -4.362 -3.923 -15.123 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.409 -5.092 -17.057 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -2.998 -6.485 -16.077 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -5.219 -7.220 -15.925 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -5.878 -5.600 -16.028 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -4.615 -5.858 -18.503 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -5.180 -7.493 -18.217 1.00 0.00 H new ATOM 0 HE ARG A 91 -6.916 -5.066 -18.557 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -6.582 -8.375 -19.096 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -8.252 -8.797 -18.705 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -9.018 -5.629 -17.440 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -9.620 -7.256 -17.775 1.00 0.00 H new ATOM 1347 N ALA A 92 -5.604 -5.438 -13.511 1.00 0.00 N ATOM 1348 CA ALA A 92 -6.236 -6.188 -12.390 1.00 0.00 C ATOM 1349 C ALA A 92 -7.192 -7.239 -12.957 1.00 0.00 C ATOM 1350 O ALA A 92 -8.373 -7.000 -13.113 1.00 0.00 O ATOM 1351 CB ALA A 92 -7.016 -5.216 -11.500 1.00 0.00 C ATOM 0 H ALA A 92 -6.229 -4.816 -14.024 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.463 -6.679 -11.800 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.478 -5.765 -10.680 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.336 -4.466 -11.097 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.790 -4.724 -12.089 1.00 0.00 H new ATOM 1357 N THR A 93 -6.691 -8.402 -13.270 1.00 0.00 N ATOM 1358 CA THR A 93 -7.568 -9.467 -13.828 1.00 0.00 C ATOM 1359 C THR A 93 -7.031 -10.837 -13.413 1.00 0.00 C ATOM 1360 O THR A 93 -7.236 -11.828 -14.087 1.00 0.00 O ATOM 1361 CB THR A 93 -7.581 -9.366 -15.355 1.00 0.00 C ATOM 1362 OG1 THR A 93 -7.935 -8.043 -15.737 1.00 0.00 O ATOM 1363 CG2 THR A 93 -8.598 -10.354 -15.926 1.00 0.00 C ATOM 0 H THR A 93 -5.710 -8.660 -13.163 1.00 0.00 H new ATOM 0 HA THR A 93 -8.581 -9.343 -13.446 1.00 0.00 H new ATOM 0 HB THR A 93 -6.591 -9.604 -15.744 1.00 0.00 H new ATOM 0 HG1 THR A 93 -8.880 -7.884 -15.530 1.00 0.00 H new ATOM 0 HG21 THR A 93 -8.606 -10.280 -17.013 1.00 0.00 H new ATOM 0 HG22 THR A 93 -8.325 -11.368 -15.633 1.00 0.00 H new ATOM 0 HG23 THR A 93 -9.590 -10.119 -15.539 1.00 0.00 H new ATOM 1371 N GLY A 94 -6.340 -10.901 -12.307 1.00 0.00 N ATOM 1372 CA GLY A 94 -5.786 -12.204 -11.847 1.00 0.00 C ATOM 1373 C GLY A 94 -6.888 -13.027 -11.176 1.00 0.00 C ATOM 1374 O GLY A 94 -7.355 -14.011 -11.715 1.00 0.00 O ATOM 0 H GLY A 94 -6.136 -10.105 -11.702 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -5.373 -12.753 -12.693 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -4.968 -12.035 -11.147 1.00 0.00 H new ATOM 1378 N THR A 95 -7.306 -12.636 -10.003 1.00 0.00 N ATOM 1379 CA THR A 95 -8.374 -13.402 -9.303 1.00 0.00 C ATOM 1380 C THR A 95 -8.929 -12.572 -8.142 1.00 0.00 C ATOM 1381 O THR A 95 -10.126 -12.471 -7.958 1.00 0.00 O ATOM 1382 CB THR A 95 -7.790 -14.710 -8.763 1.00 0.00 C ATOM 1383 OG1 THR A 95 -7.544 -15.598 -9.844 1.00 0.00 O ATOM 1384 CG2 THR A 95 -8.778 -15.351 -7.787 1.00 0.00 C ATOM 0 H THR A 95 -6.955 -11.821 -9.501 1.00 0.00 H new ATOM 0 HA THR A 95 -9.179 -13.623 -10.004 1.00 0.00 H new ATOM 0 HB THR A 95 -6.855 -14.502 -8.242 1.00 0.00 H new ATOM 0 HG1 THR A 95 -7.820 -15.175 -10.684 1.00 0.00 H new ATOM 0 HG21 THR A 95 -8.359 -16.282 -7.404 1.00 0.00 H new ATOM 0 HG22 THR A 95 -8.964 -14.669 -6.957 1.00 0.00 H new ATOM 0 HG23 THR A 95 -9.715 -15.560 -8.303 1.00 0.00 H new ATOM 1392 N SER A 96 -8.072 -11.982 -7.356 1.00 0.00 N ATOM 1393 CA SER A 96 -8.560 -11.168 -6.207 1.00 0.00 C ATOM 1394 C SER A 96 -7.584 -10.023 -5.932 1.00 0.00 C ATOM 1395 O SER A 96 -6.451 -10.037 -6.373 1.00 0.00 O ATOM 1396 CB SER A 96 -8.665 -12.055 -4.966 1.00 0.00 C ATOM 1397 OG SER A 96 -9.896 -11.794 -4.304 1.00 0.00 O ATOM 0 H SER A 96 -7.058 -12.028 -7.459 1.00 0.00 H new ATOM 0 HA SER A 96 -9.540 -10.755 -6.448 1.00 0.00 H new ATOM 0 HB2 SER A 96 -8.607 -13.106 -5.250 1.00 0.00 H new ATOM 0 HB3 SER A 96 -7.829 -11.860 -4.294 1.00 0.00 H new ATOM 0 HG SER A 96 -9.967 -12.363 -3.509 1.00 0.00 H new ATOM 1403 N VAL A 97 -8.015 -9.030 -5.203 1.00 0.00 N ATOM 1404 CA VAL A 97 -7.116 -7.881 -4.895 1.00 0.00 C ATOM 1405 C VAL A 97 -6.129 -8.289 -3.799 1.00 0.00 C ATOM 1406 O VAL A 97 -4.965 -7.940 -3.836 1.00 0.00 O ATOM 1407 CB VAL A 97 -7.954 -6.697 -4.408 1.00 0.00 C ATOM 1408 CG1 VAL A 97 -7.034 -5.628 -3.816 1.00 0.00 C ATOM 1409 CG2 VAL A 97 -8.731 -6.104 -5.584 1.00 0.00 C ATOM 0 H VAL A 97 -8.953 -8.965 -4.807 1.00 0.00 H new ATOM 0 HA VAL A 97 -6.568 -7.595 -5.793 1.00 0.00 H new ATOM 0 HB VAL A 97 -8.653 -7.038 -3.644 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -7.632 -4.785 -3.469 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -6.480 -6.049 -2.977 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.334 -5.287 -4.579 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -9.328 -5.261 -5.237 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -8.032 -5.764 -6.348 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -9.388 -6.864 -6.006 1.00 0.00 H new ATOM 1419 N GLU A 98 -6.586 -9.021 -2.820 1.00 0.00 N ATOM 1420 CA GLU A 98 -5.679 -9.449 -1.719 1.00 0.00 C ATOM 1421 C GLU A 98 -4.519 -10.265 -2.291 1.00 0.00 C ATOM 1422 O GLU A 98 -3.367 -10.012 -2.001 1.00 0.00 O ATOM 1423 CB GLU A 98 -6.461 -10.306 -0.720 1.00 0.00 C ATOM 1424 CG GLU A 98 -7.179 -9.399 0.281 1.00 0.00 C ATOM 1425 CD GLU A 98 -7.165 -10.053 1.664 1.00 0.00 C ATOM 1426 OE1 GLU A 98 -6.114 -10.058 2.284 1.00 0.00 O ATOM 1427 OE2 GLU A 98 -8.204 -10.538 2.079 1.00 0.00 O ATOM 0 H GLU A 98 -7.551 -9.341 -2.736 1.00 0.00 H new ATOM 0 HA GLU A 98 -5.284 -8.567 -1.215 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -7.185 -10.928 -1.247 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.784 -10.980 -0.195 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -6.690 -8.426 0.322 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -8.206 -9.226 -0.041 1.00 0.00 H new ATOM 1434 N GLU A 99 -4.811 -11.247 -3.100 1.00 0.00 N ATOM 1435 CA GLU A 99 -3.721 -12.081 -3.684 1.00 0.00 C ATOM 1436 C GLU A 99 -2.963 -11.272 -4.738 1.00 0.00 C ATOM 1437 O GLU A 99 -1.774 -11.439 -4.925 1.00 0.00 O ATOM 1438 CB GLU A 99 -4.324 -13.327 -4.334 1.00 0.00 C ATOM 1439 CG GLU A 99 -3.203 -14.187 -4.926 1.00 0.00 C ATOM 1440 CD GLU A 99 -3.284 -15.607 -4.359 1.00 0.00 C ATOM 1441 OE1 GLU A 99 -4.098 -15.830 -3.478 1.00 0.00 O ATOM 1442 OE2 GLU A 99 -2.531 -16.449 -4.818 1.00 0.00 O ATOM 0 H GLU A 99 -5.756 -11.508 -3.382 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.032 -12.380 -2.894 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -4.885 -13.900 -3.596 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -5.027 -13.039 -5.115 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -3.288 -14.214 -6.012 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -2.233 -13.747 -4.693 1.00 0.00 H new ATOM 1449 N ASN A 100 -3.641 -10.401 -5.433 1.00 0.00 N ATOM 1450 CA ASN A 100 -2.959 -9.585 -6.477 1.00 0.00 C ATOM 1451 C ASN A 100 -1.801 -8.806 -5.850 1.00 0.00 C ATOM 1452 O ASN A 100 -0.723 -8.724 -6.405 1.00 0.00 O ATOM 1453 CB ASN A 100 -3.959 -8.602 -7.090 1.00 0.00 C ATOM 1454 CG ASN A 100 -4.414 -9.119 -8.456 1.00 0.00 C ATOM 1455 OD1 ASN A 100 -4.553 -10.403 -8.643 1.00 0.00 O flip ATOM 1456 ND2 ASN A 100 -4.646 -8.344 -9.363 1.00 0.00 N flip ATOM 0 H ASN A 100 -4.639 -10.219 -5.323 1.00 0.00 H new ATOM 0 HA ASN A 100 -2.572 -10.245 -7.253 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -4.818 -8.483 -6.430 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -3.500 -7.619 -7.196 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -4.537 -7.340 -9.217 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -4.949 -8.697 -10.271 1.00 0.00 H new ATOM 1463 N LEU A 101 -2.015 -8.228 -4.700 1.00 0.00 N ATOM 1464 CA LEU A 101 -0.928 -7.450 -4.042 1.00 0.00 C ATOM 1465 C LEU A 101 0.344 -8.298 -3.967 1.00 0.00 C ATOM 1466 O LEU A 101 1.434 -7.825 -4.224 1.00 0.00 O ATOM 1467 CB LEU A 101 -1.362 -7.061 -2.627 1.00 0.00 C ATOM 1468 CG LEU A 101 -0.183 -6.423 -1.891 1.00 0.00 C ATOM 1469 CD1 LEU A 101 0.190 -5.104 -2.568 1.00 0.00 C ATOM 1470 CD2 LEU A 101 -0.575 -6.154 -0.436 1.00 0.00 C ATOM 0 H LEU A 101 -2.896 -8.261 -4.187 1.00 0.00 H new ATOM 0 HA LEU A 101 -0.729 -6.550 -4.624 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -2.198 -6.363 -2.670 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -1.709 -7.942 -2.086 1.00 0.00 H new ATOM 0 HG LEU A 101 0.671 -7.100 -1.920 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.030 -4.650 -2.043 1.00 0.00 H new ATOM 0 HD12 LEU A 101 0.470 -5.293 -3.604 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -0.664 -4.427 -2.540 1.00 0.00 H new ATOM 0 HD21 LEU A 101 0.265 -5.699 0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -1.429 -5.478 -0.408 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.840 -7.093 0.049 1.00 0.00 H new ATOM 1482 N LYS A 102 0.217 -9.548 -3.614 1.00 0.00 N ATOM 1483 CA LYS A 102 1.421 -10.421 -3.517 1.00 0.00 C ATOM 1484 C LYS A 102 1.898 -10.803 -4.921 1.00 0.00 C ATOM 1485 O LYS A 102 3.072 -11.011 -5.151 1.00 0.00 O ATOM 1486 CB LYS A 102 1.071 -11.689 -2.737 1.00 0.00 C ATOM 1487 CG LYS A 102 2.316 -12.569 -2.607 1.00 0.00 C ATOM 1488 CD LYS A 102 3.020 -12.267 -1.283 1.00 0.00 C ATOM 1489 CE LYS A 102 4.481 -12.713 -1.367 1.00 0.00 C ATOM 1490 NZ LYS A 102 4.584 -14.154 -1.000 1.00 0.00 N ATOM 0 H LYS A 102 -0.668 -10.002 -3.389 1.00 0.00 H new ATOM 0 HA LYS A 102 2.215 -9.882 -3.000 1.00 0.00 H new ATOM 0 HB2 LYS A 102 0.693 -11.428 -1.749 1.00 0.00 H new ATOM 0 HB3 LYS A 102 0.278 -12.236 -3.248 1.00 0.00 H new ATOM 0 HG2 LYS A 102 2.036 -13.622 -2.650 1.00 0.00 H new ATOM 0 HG3 LYS A 102 2.993 -12.385 -3.441 1.00 0.00 H new ATOM 0 HD2 LYS A 102 2.967 -11.200 -1.066 1.00 0.00 H new ATOM 0 HD3 LYS A 102 2.517 -12.784 -0.466 1.00 0.00 H new ATOM 0 HE2 LYS A 102 4.863 -12.556 -2.376 1.00 0.00 H new ATOM 0 HE3 LYS A 102 5.095 -12.111 -0.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 5.577 -14.457 -1.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 4.236 -14.291 -0.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 4.011 -14.721 -1.657 1.00 0.00 H new ATOM 1504 N LEU A 103 0.998 -10.898 -5.862 1.00 0.00 N ATOM 1505 CA LEU A 103 1.408 -11.270 -7.246 1.00 0.00 C ATOM 1506 C LEU A 103 2.255 -10.149 -7.849 1.00 0.00 C ATOM 1507 O LEU A 103 3.044 -10.369 -8.746 1.00 0.00 O ATOM 1508 CB LEU A 103 0.162 -11.488 -8.109 1.00 0.00 C ATOM 1509 CG LEU A 103 -0.604 -12.711 -7.601 1.00 0.00 C ATOM 1510 CD1 LEU A 103 -1.764 -13.017 -8.550 1.00 0.00 C ATOM 1511 CD2 LEU A 103 0.338 -13.916 -7.547 1.00 0.00 C ATOM 0 H LEU A 103 -0.001 -10.735 -5.733 1.00 0.00 H new ATOM 0 HA LEU A 103 1.993 -12.189 -7.214 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -0.477 -10.605 -8.074 1.00 0.00 H new ATOM 0 HB3 LEU A 103 0.449 -11.632 -9.151 1.00 0.00 H new ATOM 0 HG LEU A 103 -0.993 -12.507 -6.604 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.310 -13.888 -8.188 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -2.436 -12.160 -8.592 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -1.374 -13.221 -9.547 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -0.207 -14.788 -7.185 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.726 -14.119 -8.545 1.00 0.00 H new ATOM 0 HD23 LEU A 103 1.166 -13.700 -6.872 1.00 0.00 H new ATOM 1523 N PHE A 104 2.101 -8.946 -7.363 1.00 0.00 N ATOM 1524 CA PHE A 104 2.900 -7.815 -7.911 1.00 0.00 C ATOM 1525 C PHE A 104 4.390 -8.120 -7.746 1.00 0.00 C ATOM 1526 O PHE A 104 5.167 -7.981 -8.670 1.00 0.00 O ATOM 1527 CB PHE A 104 2.554 -6.531 -7.153 1.00 0.00 C ATOM 1528 CG PHE A 104 3.341 -5.379 -7.729 1.00 0.00 C ATOM 1529 CD1 PHE A 104 4.695 -5.224 -7.401 1.00 0.00 C ATOM 1530 CD2 PHE A 104 2.719 -4.465 -8.590 1.00 0.00 C ATOM 1531 CE1 PHE A 104 5.427 -4.154 -7.934 1.00 0.00 C ATOM 1532 CE2 PHE A 104 3.452 -3.395 -9.122 1.00 0.00 C ATOM 1533 CZ PHE A 104 4.805 -3.240 -8.796 1.00 0.00 C ATOM 0 H PHE A 104 1.457 -8.699 -6.611 1.00 0.00 H new ATOM 0 HA PHE A 104 2.670 -7.684 -8.968 1.00 0.00 H new ATOM 0 HB2 PHE A 104 1.486 -6.329 -7.228 1.00 0.00 H new ATOM 0 HB3 PHE A 104 2.783 -6.648 -6.094 1.00 0.00 H new ATOM 0 HD1 PHE A 104 5.174 -5.929 -6.738 1.00 0.00 H new ATOM 0 HD2 PHE A 104 1.676 -4.585 -8.843 1.00 0.00 H new ATOM 0 HE1 PHE A 104 6.470 -4.034 -7.681 1.00 0.00 H new ATOM 0 HE2 PHE A 104 2.973 -2.689 -9.784 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.369 -2.417 -9.209 1.00 0.00 H new ATOM 1543 N THR A 105 4.793 -8.537 -6.577 1.00 0.00 N ATOM 1544 CA THR A 105 6.231 -8.854 -6.353 1.00 0.00 C ATOM 1545 C THR A 105 6.625 -10.053 -7.217 1.00 0.00 C ATOM 1546 O THR A 105 7.705 -10.105 -7.772 1.00 0.00 O ATOM 1547 CB THR A 105 6.454 -9.190 -4.876 1.00 0.00 C ATOM 1548 OG1 THR A 105 6.204 -8.034 -4.088 1.00 0.00 O ATOM 1549 CG2 THR A 105 7.896 -9.654 -4.663 1.00 0.00 C ATOM 0 H THR A 105 4.188 -8.672 -5.767 1.00 0.00 H new ATOM 0 HA THR A 105 6.843 -7.994 -6.624 1.00 0.00 H new ATOM 0 HB THR A 105 5.774 -9.989 -4.579 1.00 0.00 H new ATOM 0 HG1 THR A 105 6.954 -7.888 -3.474 1.00 0.00 H new ATOM 0 HG21 THR A 105 8.050 -9.892 -3.610 1.00 0.00 H new ATOM 0 HG22 THR A 105 8.086 -10.541 -5.267 1.00 0.00 H new ATOM 0 HG23 THR A 105 8.581 -8.860 -4.959 1.00 0.00 H new ATOM 1557 N GLU A 106 5.757 -11.020 -7.334 1.00 0.00 N ATOM 1558 CA GLU A 106 6.079 -12.216 -8.162 1.00 0.00 C ATOM 1559 C GLU A 106 6.074 -11.829 -9.642 1.00 0.00 C ATOM 1560 O GLU A 106 6.428 -12.615 -10.499 1.00 0.00 O ATOM 1561 CB GLU A 106 5.030 -13.302 -7.914 1.00 0.00 C ATOM 1562 CG GLU A 106 5.602 -14.664 -8.309 1.00 0.00 C ATOM 1563 CD GLU A 106 5.133 -15.724 -7.311 1.00 0.00 C ATOM 1564 OE1 GLU A 106 4.083 -15.529 -6.721 1.00 0.00 O ATOM 1565 OE2 GLU A 106 5.832 -16.712 -7.153 1.00 0.00 O ATOM 0 H GLU A 106 4.838 -11.033 -6.892 1.00 0.00 H new ATOM 0 HA GLU A 106 7.065 -12.593 -7.890 1.00 0.00 H new ATOM 0 HB2 GLU A 106 4.739 -13.309 -6.863 1.00 0.00 H new ATOM 0 HB3 GLU A 106 4.130 -13.092 -8.492 1.00 0.00 H new ATOM 0 HG2 GLU A 106 5.278 -14.928 -9.316 1.00 0.00 H new ATOM 0 HG3 GLU A 106 6.691 -14.622 -8.326 1.00 0.00 H new ATOM 1572 N GLY A 107 5.674 -10.626 -9.952 1.00 0.00 N ATOM 1573 CA GLY A 107 5.646 -10.195 -11.379 1.00 0.00 C ATOM 1574 C GLY A 107 4.786 -11.170 -12.185 1.00 0.00 C ATOM 1575 O GLY A 107 5.018 -11.396 -13.356 1.00 0.00 O ATOM 0 H GLY A 107 5.366 -9.924 -9.280 1.00 0.00 H new ATOM 0 HA2 GLY A 107 5.243 -9.185 -11.458 1.00 0.00 H new ATOM 0 HA3 GLY A 107 6.658 -10.166 -11.782 1.00 0.00 H new ATOM 1579 N ASN A 108 3.795 -11.750 -11.566 1.00 0.00 N ATOM 1580 CA ASN A 108 2.922 -12.712 -12.294 1.00 0.00 C ATOM 1581 C ASN A 108 1.841 -11.945 -13.057 1.00 0.00 C ATOM 1582 O ASN A 108 1.356 -12.388 -14.080 1.00 0.00 O ATOM 1583 CB ASN A 108 2.261 -13.659 -11.292 1.00 0.00 C ATOM 1584 CG ASN A 108 2.252 -15.080 -11.858 1.00 0.00 C ATOM 1585 OD1 ASN A 108 2.153 -15.269 -13.055 1.00 0.00 O ATOM 1586 ND2 ASN A 108 2.352 -16.094 -11.045 1.00 0.00 N ATOM 0 H ASN A 108 3.552 -11.599 -10.587 1.00 0.00 H new ATOM 0 HA ASN A 108 3.524 -13.287 -12.997 1.00 0.00 H new ATOM 0 HB2 ASN A 108 2.801 -13.637 -10.345 1.00 0.00 H new ATOM 0 HB3 ASN A 108 1.242 -13.332 -11.086 1.00 0.00 H new ATOM 0 HD21 ASN A 108 2.347 -17.045 -11.413 1.00 0.00 H new ATOM 0 HD22 ASN A 108 2.435 -15.936 -10.041 1.00 0.00 H new ATOM 1593 N LEU A 109 1.453 -10.798 -12.569 1.00 0.00 N ATOM 1594 CA LEU A 109 0.400 -10.012 -13.270 1.00 0.00 C ATOM 1595 C LEU A 109 0.773 -8.529 -13.266 1.00 0.00 C ATOM 1596 O LEU A 109 1.241 -7.998 -12.279 1.00 0.00 O ATOM 1597 CB LEU A 109 -0.935 -10.200 -12.551 1.00 0.00 C ATOM 1598 CG LEU A 109 -1.924 -10.893 -13.489 1.00 0.00 C ATOM 1599 CD1 LEU A 109 -2.954 -11.666 -12.665 1.00 0.00 C ATOM 1600 CD2 LEU A 109 -2.639 -9.842 -14.340 1.00 0.00 C ATOM 0 H LEU A 109 1.819 -10.373 -11.717 1.00 0.00 H new ATOM 0 HA LEU A 109 0.316 -10.360 -14.300 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -0.794 -10.795 -11.649 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -1.331 -9.234 -12.237 1.00 0.00 H new ATOM 0 HG LEU A 109 -1.386 -11.584 -14.138 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.659 -12.160 -13.334 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.446 -12.414 -12.057 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -3.493 -10.976 -12.016 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.344 -10.334 -15.009 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.177 -9.152 -13.690 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.906 -9.290 -14.928 1.00 0.00 H new ATOM 1612 N GLU A 110 0.565 -7.856 -14.364 1.00 0.00 N ATOM 1613 CA GLU A 110 0.901 -6.408 -14.424 1.00 0.00 C ATOM 1614 C GLU A 110 0.355 -5.812 -15.722 1.00 0.00 C ATOM 1615 O GLU A 110 -0.632 -6.272 -16.261 1.00 0.00 O ATOM 1616 CB GLU A 110 2.421 -6.230 -14.379 1.00 0.00 C ATOM 1617 CG GLU A 110 3.030 -6.679 -15.708 1.00 0.00 C ATOM 1618 CD GLU A 110 4.292 -7.501 -15.438 1.00 0.00 C ATOM 1619 OE1 GLU A 110 4.220 -8.412 -14.630 1.00 0.00 O ATOM 1620 OE2 GLU A 110 5.309 -7.204 -16.043 1.00 0.00 O ATOM 0 H GLU A 110 0.177 -8.248 -15.222 1.00 0.00 H new ATOM 0 HA GLU A 110 0.453 -5.897 -13.572 1.00 0.00 H new ATOM 0 HB2 GLU A 110 2.669 -5.186 -14.188 1.00 0.00 H new ATOM 0 HB3 GLU A 110 2.841 -6.813 -13.559 1.00 0.00 H new ATOM 0 HG2 GLU A 110 2.309 -7.274 -16.269 1.00 0.00 H new ATOM 0 HG3 GLU A 110 3.273 -5.811 -16.321 1.00 0.00 H new ATOM 1627 N GLU A 111 0.986 -4.788 -16.226 1.00 0.00 N ATOM 1628 CA GLU A 111 0.500 -4.162 -17.485 1.00 0.00 C ATOM 1629 C GLU A 111 1.600 -3.283 -18.079 1.00 0.00 C ATOM 1630 O GLU A 111 2.618 -3.768 -18.529 1.00 0.00 O ATOM 1631 CB GLU A 111 -0.761 -3.342 -17.189 1.00 0.00 C ATOM 1632 CG GLU A 111 -1.312 -2.768 -18.496 1.00 0.00 C ATOM 1633 CD GLU A 111 -2.516 -3.596 -18.948 1.00 0.00 C ATOM 1634 OE1 GLU A 111 -2.313 -4.731 -19.348 1.00 0.00 O ATOM 1635 OE2 GLU A 111 -3.621 -3.081 -18.888 1.00 0.00 O ATOM 0 H GLU A 111 1.817 -4.358 -15.820 1.00 0.00 H new ATOM 0 HA GLU A 111 0.249 -4.933 -18.213 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -1.512 -3.970 -16.709 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -0.529 -2.535 -16.494 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -1.605 -1.728 -18.354 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -0.540 -2.779 -19.265 1.00 0.00 H new ATOM 1642 N ILE A 112 1.407 -2.002 -18.088 1.00 0.00 N ATOM 1643 CA ILE A 112 2.442 -1.094 -18.657 1.00 0.00 C ATOM 1644 C ILE A 112 3.511 -0.813 -17.600 1.00 0.00 C ATOM 1645 O ILE A 112 3.408 0.123 -16.832 1.00 0.00 O ATOM 1646 CB ILE A 112 1.788 0.221 -19.086 1.00 0.00 C ATOM 1647 CG1 ILE A 112 0.388 -0.061 -19.640 1.00 0.00 C ATOM 1648 CG2 ILE A 112 2.638 0.883 -20.172 1.00 0.00 C ATOM 1649 CD1 ILE A 112 -0.196 1.224 -20.231 1.00 0.00 C ATOM 0 H ILE A 112 0.575 -1.537 -17.725 1.00 0.00 H new ATOM 0 HA ILE A 112 2.904 -1.568 -19.523 1.00 0.00 H new ATOM 0 HB ILE A 112 1.713 0.886 -18.225 1.00 0.00 H new ATOM 0 HG12 ILE A 112 0.437 -0.836 -20.405 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -0.259 -0.436 -18.847 1.00 0.00 H new ATOM 0 HG21 ILE A 112 2.172 1.820 -20.478 1.00 0.00 H new ATOM 0 HG22 ILE A 112 3.635 1.084 -19.781 1.00 0.00 H new ATOM 0 HG23 ILE A 112 2.713 0.217 -21.032 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -1.192 1.023 -20.625 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -0.260 1.986 -19.454 1.00 0.00 H new ATOM 0 HD13 ILE A 112 0.448 1.580 -21.036 1.00 0.00 H new ATOM 1661 N ARG A 113 4.540 -1.616 -17.554 1.00 0.00 N ATOM 1662 CA ARG A 113 5.615 -1.394 -16.547 1.00 0.00 C ATOM 1663 C ARG A 113 6.309 -0.061 -16.833 1.00 0.00 C ATOM 1664 O ARG A 113 6.325 0.831 -16.009 1.00 0.00 O ATOM 1665 CB ARG A 113 6.636 -2.530 -16.628 1.00 0.00 C ATOM 1666 CG ARG A 113 7.098 -2.904 -15.217 1.00 0.00 C ATOM 1667 CD ARG A 113 8.489 -3.536 -15.284 1.00 0.00 C ATOM 1668 NE ARG A 113 9.292 -3.095 -14.108 1.00 0.00 N ATOM 1669 CZ ARG A 113 10.266 -3.842 -13.664 1.00 0.00 C ATOM 1670 NH1 ARG A 113 10.007 -4.869 -12.903 1.00 0.00 N ATOM 1671 NH2 ARG A 113 11.499 -3.560 -13.983 1.00 0.00 N ATOM 0 H ARG A 113 4.682 -2.416 -18.171 1.00 0.00 H new ATOM 0 HA ARG A 113 5.179 -1.372 -15.548 1.00 0.00 H new ATOM 0 HB2 ARG A 113 6.193 -3.397 -17.119 1.00 0.00 H new ATOM 0 HB3 ARG A 113 7.490 -2.223 -17.232 1.00 0.00 H new ATOM 0 HG2 ARG A 113 7.120 -2.017 -14.584 1.00 0.00 H new ATOM 0 HG3 ARG A 113 6.392 -3.601 -14.765 1.00 0.00 H new ATOM 0 HD2 ARG A 113 8.406 -4.623 -15.295 1.00 0.00 H new ATOM 0 HD3 ARG A 113 8.988 -3.245 -16.208 1.00 0.00 H new ATOM 0 HE ARG A 113 9.080 -2.209 -13.650 1.00 0.00 H new ATOM 0 HH11 ARG A 113 9.043 -5.089 -12.654 1.00 0.00 H new ATOM 0 HH12 ARG A 113 10.769 -5.452 -12.557 1.00 0.00 H new ATOM 0 HH21 ARG A 113 11.701 -2.757 -14.578 1.00 0.00 H new ATOM 0 HH22 ARG A 113 12.261 -4.143 -13.637 1.00 0.00 H new ATOM 1685 N SER A 114 6.884 0.081 -17.996 1.00 0.00 N ATOM 1686 CA SER A 114 7.576 1.357 -18.331 1.00 0.00 C ATOM 1687 C SER A 114 8.104 1.290 -19.768 1.00 0.00 C ATOM 1688 O SER A 114 8.496 0.238 -20.234 1.00 0.00 O ATOM 1689 CB SER A 114 8.743 1.572 -17.365 1.00 0.00 C ATOM 1690 OG SER A 114 9.851 2.111 -18.076 1.00 0.00 O ATOM 0 H SER A 114 6.904 -0.630 -18.727 1.00 0.00 H new ATOM 0 HA SER A 114 6.874 2.186 -18.242 1.00 0.00 H new ATOM 0 HB2 SER A 114 8.447 2.249 -16.564 1.00 0.00 H new ATOM 0 HB3 SER A 114 9.021 0.628 -16.897 1.00 0.00 H new ATOM 0 HG SER A 114 10.599 2.251 -17.459 1.00 0.00 H new ATOM 1696 N PRO A 115 8.099 2.420 -20.427 1.00 0.00 N ATOM 1697 CA PRO A 115 8.573 2.531 -21.818 1.00 0.00 C ATOM 1698 C PRO A 115 10.104 2.557 -21.859 1.00 0.00 C ATOM 1699 O PRO A 115 10.764 2.479 -20.842 1.00 0.00 O ATOM 1700 CB PRO A 115 7.992 3.866 -22.290 1.00 0.00 C ATOM 1701 CG PRO A 115 7.708 4.695 -21.015 1.00 0.00 C ATOM 1702 CD PRO A 115 7.619 3.693 -19.848 1.00 0.00 C ATOM 0 HA PRO A 115 8.266 1.693 -22.444 1.00 0.00 H new ATOM 0 HB2 PRO A 115 8.694 4.386 -22.943 1.00 0.00 H new ATOM 0 HB3 PRO A 115 7.078 3.711 -22.864 1.00 0.00 H new ATOM 0 HG2 PRO A 115 8.501 5.422 -20.841 1.00 0.00 H new ATOM 0 HG3 PRO A 115 6.778 5.255 -21.116 1.00 0.00 H new ATOM 0 HD2 PRO A 115 8.237 4.006 -19.006 1.00 0.00 H new ATOM 0 HD3 PRO A 115 6.598 3.602 -19.478 1.00 0.00 H new ATOM 1710 N GLY A 116 10.673 2.667 -23.029 1.00 0.00 N ATOM 1711 CA GLY A 116 12.160 2.698 -23.135 1.00 0.00 C ATOM 1712 C GLY A 116 12.698 1.270 -23.232 1.00 0.00 C ATOM 1713 O GLY A 116 13.854 1.013 -22.959 1.00 0.00 O ATOM 0 H GLY A 116 10.173 2.737 -23.915 1.00 0.00 H new ATOM 0 HA2 GLY A 116 12.460 3.271 -24.013 1.00 0.00 H new ATOM 0 HA3 GLY A 116 12.586 3.200 -22.266 1.00 0.00 H new ATOM 1717 N SER A 117 11.871 0.337 -23.618 1.00 0.00 N ATOM 1718 CA SER A 117 12.340 -1.073 -23.730 1.00 0.00 C ATOM 1719 C SER A 117 11.387 -1.860 -24.633 1.00 0.00 C ATOM 1720 O SER A 117 11.804 -2.693 -25.412 1.00 0.00 O ATOM 1721 CB SER A 117 12.372 -1.711 -22.341 1.00 0.00 C ATOM 1722 OG SER A 117 11.046 -2.023 -21.936 1.00 0.00 O ATOM 0 H SER A 117 10.892 0.490 -23.860 1.00 0.00 H new ATOM 0 HA SER A 117 13.341 -1.089 -24.160 1.00 0.00 H new ATOM 0 HB2 SER A 117 12.981 -2.615 -22.357 1.00 0.00 H new ATOM 0 HB3 SER A 117 12.832 -1.029 -21.626 1.00 0.00 H new ATOM 0 HG SER A 117 11.064 -2.434 -21.046 1.00 0.00 H new ATOM 1728 N GLY A 118 10.112 -1.605 -24.533 1.00 0.00 N ATOM 1729 CA GLY A 118 9.137 -2.342 -25.387 1.00 0.00 C ATOM 1730 C GLY A 118 8.727 -1.464 -26.571 1.00 0.00 C ATOM 1731 O GLY A 118 7.710 -1.687 -27.198 1.00 0.00 O ATOM 0 H GLY A 118 9.703 -0.919 -23.898 1.00 0.00 H new ATOM 0 HA2 GLY A 118 9.581 -3.270 -25.746 1.00 0.00 H new ATOM 0 HA3 GLY A 118 8.259 -2.615 -24.802 1.00 0.00 H new ATOM 1735 N ARG A 119 9.510 -0.468 -26.882 1.00 0.00 N ATOM 1736 CA ARG A 119 9.164 0.424 -28.025 1.00 0.00 C ATOM 1737 C ARG A 119 9.164 -0.384 -29.325 1.00 0.00 C ATOM 1738 O ARG A 119 10.040 -1.191 -29.565 1.00 0.00 O ATOM 1739 CB ARG A 119 10.198 1.548 -28.126 1.00 0.00 C ATOM 1740 CG ARG A 119 9.495 2.861 -28.475 1.00 0.00 C ATOM 1741 CD ARG A 119 10.538 3.958 -28.707 1.00 0.00 C ATOM 1742 NE ARG A 119 11.780 3.355 -29.271 1.00 0.00 N ATOM 1743 CZ ARG A 119 11.998 3.391 -30.557 1.00 0.00 C ATOM 1744 NH1 ARG A 119 12.339 4.513 -31.129 1.00 0.00 N ATOM 1745 NH2 ARG A 119 11.877 2.306 -31.270 1.00 0.00 N ATOM 0 H ARG A 119 10.374 -0.233 -26.394 1.00 0.00 H new ATOM 0 HA ARG A 119 8.174 0.851 -27.863 1.00 0.00 H new ATOM 0 HB2 ARG A 119 10.733 1.650 -27.182 1.00 0.00 H new ATOM 0 HB3 ARG A 119 10.939 1.307 -28.888 1.00 0.00 H new ATOM 0 HG2 ARG A 119 8.884 2.732 -29.368 1.00 0.00 H new ATOM 0 HG3 ARG A 119 8.822 3.150 -27.668 1.00 0.00 H new ATOM 0 HD2 ARG A 119 10.144 4.710 -29.390 1.00 0.00 H new ATOM 0 HD3 ARG A 119 10.762 4.466 -27.769 1.00 0.00 H new ATOM 0 HE ARG A 119 12.459 2.914 -28.651 1.00 0.00 H new ATOM 0 HH11 ARG A 119 12.435 5.361 -30.571 1.00 0.00 H new ATOM 0 HH12 ARG A 119 12.510 4.542 -32.134 1.00 0.00 H new ATOM 0 HH21 ARG A 119 11.612 1.429 -30.823 1.00 0.00 H new ATOM 0 HH22 ARG A 119 12.047 2.335 -32.275 1.00 0.00 H new ATOM 1759 N GLY A 120 8.189 -0.174 -30.166 1.00 0.00 N ATOM 1760 CA GLY A 120 8.135 -0.932 -31.449 1.00 0.00 C ATOM 1761 C GLY A 120 9.000 -0.226 -32.495 1.00 0.00 C ATOM 1762 O GLY A 120 9.910 0.510 -32.168 1.00 0.00 O ATOM 0 H GLY A 120 7.428 0.489 -30.021 1.00 0.00 H new ATOM 0 HA2 GLY A 120 8.489 -1.952 -31.297 1.00 0.00 H new ATOM 0 HA3 GLY A 120 7.105 -1.001 -31.800 1.00 0.00 H new ATOM 1766 N ARG A 121 8.722 -0.443 -33.751 1.00 0.00 N ATOM 1767 CA ARG A 121 9.529 0.216 -34.816 1.00 0.00 C ATOM 1768 C ARG A 121 8.622 0.576 -35.995 1.00 0.00 C ATOM 1769 O ARG A 121 8.487 -0.178 -36.938 1.00 0.00 O ATOM 1770 CB ARG A 121 10.627 -0.739 -35.292 1.00 0.00 C ATOM 1771 CG ARG A 121 11.690 -0.883 -34.201 1.00 0.00 C ATOM 1772 CD ARG A 121 13.083 -0.784 -34.828 1.00 0.00 C ATOM 1773 NE ARG A 121 13.721 -2.131 -34.840 1.00 0.00 N ATOM 1774 CZ ARG A 121 15.022 -2.238 -34.845 1.00 0.00 C ATOM 1775 NH1 ARG A 121 15.716 -1.802 -33.830 1.00 0.00 N ATOM 1776 NH2 ARG A 121 15.628 -2.780 -35.865 1.00 0.00 N ATOM 0 H ARG A 121 7.972 -1.048 -34.086 1.00 0.00 H new ATOM 0 HA ARG A 121 9.984 1.122 -34.416 1.00 0.00 H new ATOM 0 HB2 ARG A 121 10.199 -1.713 -35.527 1.00 0.00 H new ATOM 0 HB3 ARG A 121 11.080 -0.360 -36.208 1.00 0.00 H new ATOM 0 HG2 ARG A 121 11.562 -0.104 -33.449 1.00 0.00 H new ATOM 0 HG3 ARG A 121 11.576 -1.840 -33.692 1.00 0.00 H new ATOM 0 HD2 ARG A 121 13.009 -0.396 -35.844 1.00 0.00 H new ATOM 0 HD3 ARG A 121 13.698 -0.084 -34.263 1.00 0.00 H new ATOM 0 HE ARG A 121 13.141 -2.970 -34.844 1.00 0.00 H new ATOM 0 HH11 ARG A 121 15.242 -1.378 -33.033 1.00 0.00 H new ATOM 0 HH12 ARG A 121 16.733 -1.886 -33.834 1.00 0.00 H new ATOM 0 HH21 ARG A 121 15.085 -3.120 -36.659 1.00 0.00 H new ATOM 0 HH22 ARG A 121 16.645 -2.864 -35.869 1.00 0.00 H new ATOM 1790 N ARG A 122 8.003 1.722 -35.950 1.00 0.00 N ATOM 1791 CA ARG A 122 7.109 2.129 -37.070 1.00 0.00 C ATOM 1792 C ARG A 122 7.909 2.958 -38.077 1.00 0.00 C ATOM 1793 O ARG A 122 9.057 3.285 -37.852 1.00 0.00 O ATOM 1794 CB ARG A 122 5.952 2.968 -36.522 1.00 0.00 C ATOM 1795 CG ARG A 122 4.622 2.301 -36.882 1.00 0.00 C ATOM 1796 CD ARG A 122 3.872 1.936 -35.600 1.00 0.00 C ATOM 1797 NE ARG A 122 2.478 2.458 -35.673 1.00 0.00 N ATOM 1798 CZ ARG A 122 1.806 2.373 -36.789 1.00 0.00 C ATOM 1799 NH1 ARG A 122 2.091 1.437 -37.654 1.00 0.00 N ATOM 1800 NH2 ARG A 122 0.850 3.224 -37.041 1.00 0.00 N ATOM 0 H ARG A 122 8.077 2.394 -35.187 1.00 0.00 H new ATOM 0 HA ARG A 122 6.710 1.241 -37.561 1.00 0.00 H new ATOM 0 HB2 ARG A 122 6.041 3.066 -35.440 1.00 0.00 H new ATOM 0 HB3 ARG A 122 5.990 3.975 -36.938 1.00 0.00 H new ATOM 0 HG2 ARG A 122 4.018 2.974 -37.490 1.00 0.00 H new ATOM 0 HG3 ARG A 122 4.801 1.407 -37.479 1.00 0.00 H new ATOM 0 HD2 ARG A 122 3.860 0.854 -35.469 1.00 0.00 H new ATOM 0 HD3 ARG A 122 4.384 2.356 -34.734 1.00 0.00 H new ATOM 0 HE ARG A 122 2.049 2.882 -34.851 1.00 0.00 H new ATOM 0 HH11 ARG A 122 2.839 0.772 -37.458 1.00 0.00 H new ATOM 0 HH12 ARG A 122 1.566 1.371 -38.526 1.00 0.00 H new ATOM 0 HH21 ARG A 122 0.628 3.956 -36.366 1.00 0.00 H new ATOM 0 HH22 ARG A 122 0.325 3.158 -37.913 1.00 0.00 H new ATOM 1814 N ARG A 123 7.315 3.298 -39.189 1.00 0.00 N ATOM 1815 CA ARG A 123 8.049 4.104 -40.205 1.00 0.00 C ATOM 1816 C ARG A 123 7.286 5.403 -40.475 1.00 0.00 C ATOM 1817 O ARG A 123 6.494 5.490 -41.391 1.00 0.00 O ATOM 1818 CB ARG A 123 8.169 3.302 -41.503 1.00 0.00 C ATOM 1819 CG ARG A 123 9.006 2.046 -41.251 1.00 0.00 C ATOM 1820 CD ARG A 123 9.609 1.561 -42.571 1.00 0.00 C ATOM 1821 NE ARG A 123 10.299 0.259 -42.353 1.00 0.00 N ATOM 1822 CZ ARG A 123 11.240 -0.127 -43.172 1.00 0.00 C ATOM 1823 NH1 ARG A 123 10.944 -0.447 -44.402 1.00 0.00 N ATOM 1824 NH2 ARG A 123 12.476 -0.191 -42.759 1.00 0.00 N ATOM 0 H ARG A 123 6.356 3.053 -39.437 1.00 0.00 H new ATOM 0 HA ARG A 123 9.045 4.340 -39.831 1.00 0.00 H new ATOM 0 HB2 ARG A 123 7.179 3.025 -41.865 1.00 0.00 H new ATOM 0 HB3 ARG A 123 8.633 3.912 -42.278 1.00 0.00 H new ATOM 0 HG2 ARG A 123 9.799 2.262 -40.535 1.00 0.00 H new ATOM 0 HG3 ARG A 123 8.385 1.264 -40.814 1.00 0.00 H new ATOM 0 HD2 ARG A 123 8.826 1.449 -43.321 1.00 0.00 H new ATOM 0 HD3 ARG A 123 10.314 2.299 -42.954 1.00 0.00 H new ATOM 0 HE ARG A 123 10.036 -0.331 -41.564 1.00 0.00 H new ATOM 0 HH11 ARG A 123 9.977 -0.396 -44.724 1.00 0.00 H new ATOM 0 HH12 ARG A 123 11.679 -0.748 -45.042 1.00 0.00 H new ATOM 0 HH21 ARG A 123 12.706 0.060 -41.798 1.00 0.00 H new ATOM 0 HH22 ARG A 123 13.212 -0.492 -43.398 1.00 0.00 H new ATOM 1838 N ARG A 124 7.522 6.414 -39.685 1.00 0.00 N ATOM 1839 CA ARG A 124 6.813 7.707 -39.898 1.00 0.00 C ATOM 1840 C ARG A 124 7.837 8.819 -40.127 1.00 0.00 C ATOM 1841 O ARG A 124 8.990 8.617 -39.780 1.00 0.00 O ATOM 1842 CB ARG A 124 5.970 8.036 -38.664 1.00 0.00 C ATOM 1843 CG ARG A 124 4.490 8.057 -39.048 1.00 0.00 C ATOM 1844 CD ARG A 124 4.043 9.501 -39.276 1.00 0.00 C ATOM 1845 NE ARG A 124 2.831 9.780 -38.455 1.00 0.00 N ATOM 1846 CZ ARG A 124 1.656 9.824 -39.020 1.00 0.00 C ATOM 1847 NH1 ARG A 124 1.379 9.022 -40.010 1.00 0.00 N ATOM 1848 NH2 ARG A 124 0.758 10.670 -38.593 1.00 0.00 N ATOM 1849 OXT ARG A 124 7.454 9.854 -40.649 1.00 0.00 O ATOM 0 H ARG A 124 8.175 6.401 -38.901 1.00 0.00 H new ATOM 0 HA ARG A 124 6.164 7.626 -40.770 1.00 0.00 H new ATOM 0 HB2 ARG A 124 6.144 7.295 -37.884 1.00 0.00 H new ATOM 0 HB3 ARG A 124 6.265 9.003 -38.256 1.00 0.00 H new ATOM 0 HG2 ARG A 124 4.329 7.468 -39.951 1.00 0.00 H new ATOM 0 HG3 ARG A 124 3.892 7.600 -38.259 1.00 0.00 H new ATOM 0 HD2 ARG A 124 4.845 10.188 -39.006 1.00 0.00 H new ATOM 0 HD3 ARG A 124 3.826 9.664 -40.332 1.00 0.00 H new ATOM 0 HE ARG A 124 2.920 9.937 -37.451 1.00 0.00 H new ATOM 0 HH11 ARG A 124 2.081 8.361 -40.342 1.00 0.00 H new ATOM 0 HH12 ARG A 124 0.460 9.056 -40.452 1.00 0.00 H new ATOM 0 HH21 ARG A 124 0.975 11.296 -37.818 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -0.161 10.705 -39.035 1.00 0.00 H new TER 1863 ARG A 124