USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 630 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -157:sc= 1.24 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 9 ASN : amide:sc= 1.22 K(o=1.2,f=-4.8!) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -51:sc= 0.00457 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot 40:sc= 0.66 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0.0815 K(o=0.082,f=-2.4!) USER MOD Single : A 68 LYS NZ :NH3+ 160:sc= 0.245 (180deg=-0.0578) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.058 1.256 -2.701 1.00 0.00 N ATOM 2 CA MET A 1 3.102 1.409 -1.569 1.00 0.00 C ATOM 3 C MET A 1 1.596 1.339 -1.985 1.00 0.00 C ATOM 4 O MET A 1 0.838 0.588 -1.369 1.00 0.00 O ATOM 5 CB MET A 1 3.477 2.690 -0.777 1.00 0.00 C ATOM 6 CG MET A 1 2.814 2.814 0.612 1.00 0.00 C ATOM 7 SD MET A 1 3.436 1.551 1.745 1.00 0.00 S ATOM 8 CE MET A 1 4.929 2.354 2.362 1.00 0.00 C ATOM 0 H1 MET A 1 5.033 1.314 -2.343 1.00 0.00 H new ATOM 0 H2 MET A 1 3.911 0.333 -3.157 1.00 0.00 H new ATOM 0 H3 MET A 1 3.899 2.014 -3.395 1.00 0.00 H new ATOM 0 HA MET A 1 3.203 0.545 -0.912 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.559 2.717 -0.650 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.204 3.561 -1.373 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.008 3.804 1.024 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.733 2.717 0.512 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.427 1.697 3.075 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.601 2.562 1.529 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.662 3.289 2.855 1.00 0.00 H new ATOM 18 N TYR A 2 1.168 2.136 -2.986 1.00 0.00 N ATOM 19 CA TYR A 2 -0.252 2.252 -3.439 1.00 0.00 C ATOM 20 C TYR A 2 -1.131 3.093 -2.456 1.00 0.00 C ATOM 21 O TYR A 2 -1.626 2.571 -1.453 1.00 0.00 O ATOM 22 CB TYR A 2 -0.966 0.928 -3.844 1.00 0.00 C ATOM 23 CG TYR A 2 -0.292 0.066 -4.921 1.00 0.00 C ATOM 24 CD1 TYR A 2 -0.486 0.331 -6.280 1.00 0.00 C ATOM 25 CD2 TYR A 2 0.506 -1.017 -4.537 1.00 0.00 C ATOM 26 CE1 TYR A 2 0.113 -0.479 -7.244 1.00 0.00 C ATOM 27 CE2 TYR A 2 1.110 -1.820 -5.502 1.00 0.00 C ATOM 28 CZ TYR A 2 0.911 -1.552 -6.852 1.00 0.00 C ATOM 29 OH TYR A 2 1.522 -2.328 -7.800 1.00 0.00 O ATOM 0 H TYR A 2 1.803 2.731 -3.518 1.00 0.00 H new ATOM 0 HA TYR A 2 -0.153 2.797 -4.378 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -1.081 0.319 -2.947 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -1.969 1.178 -4.191 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -1.101 1.165 -6.584 1.00 0.00 H new ATOM 0 HD2 TYR A 2 0.654 -1.231 -3.489 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -0.041 -0.275 -8.293 1.00 0.00 H new ATOM 0 HE2 TYR A 2 1.732 -2.650 -5.202 1.00 0.00 H new ATOM 0 HH TYR A 2 2.042 -3.032 -7.360 1.00 0.00 H new ATOM 39 N LEU A 3 -1.348 4.387 -2.757 1.00 0.00 N ATOM 40 CA LEU A 3 -2.238 5.273 -1.950 1.00 0.00 C ATOM 41 C LEU A 3 -3.633 5.519 -2.631 1.00 0.00 C ATOM 42 O LEU A 3 -3.818 5.362 -3.843 1.00 0.00 O ATOM 43 CB LEU A 3 -1.434 6.536 -1.495 1.00 0.00 C ATOM 44 CG LEU A 3 -1.356 7.807 -2.385 1.00 0.00 C ATOM 45 CD1 LEU A 3 -0.538 8.900 -1.672 1.00 0.00 C ATOM 46 CD2 LEU A 3 -0.752 7.572 -3.774 1.00 0.00 C ATOM 0 H LEU A 3 -0.920 4.854 -3.557 1.00 0.00 H new ATOM 0 HA LEU A 3 -2.538 4.774 -1.029 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.846 6.846 -0.534 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.409 6.212 -1.313 1.00 0.00 H new ATOM 0 HG LEU A 3 -2.390 8.116 -2.538 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.488 9.787 -2.303 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -1.016 9.154 -0.726 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.471 8.534 -1.482 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -0.736 8.511 -4.327 1.00 0.00 H new ATOM 0 HD22 LEU A 3 0.265 7.195 -3.669 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.355 6.843 -4.314 1.00 0.00 H new ATOM 58 N THR A 4 -4.635 5.907 -1.821 1.00 0.00 N ATOM 59 CA THR A 4 -6.022 6.221 -2.300 1.00 0.00 C ATOM 60 C THR A 4 -6.098 7.457 -3.269 1.00 0.00 C ATOM 61 O THR A 4 -5.283 8.374 -3.182 1.00 0.00 O ATOM 62 CB THR A 4 -6.892 6.351 -0.999 1.00 0.00 C ATOM 63 OG1 THR A 4 -7.122 5.048 -0.463 1.00 0.00 O ATOM 64 CG2 THR A 4 -8.281 6.999 -1.112 1.00 0.00 C ATOM 0 H THR A 4 -4.521 6.016 -0.813 1.00 0.00 H new ATOM 0 HA THR A 4 -6.409 5.428 -2.939 1.00 0.00 H new ATOM 0 HB THR A 4 -6.294 7.023 -0.383 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.926 5.062 0.097 1.00 0.00 H new ATOM 0 HG21 THR A 4 -8.756 7.015 -0.131 1.00 0.00 H new ATOM 0 HG22 THR A 4 -8.178 8.019 -1.482 1.00 0.00 H new ATOM 0 HG23 THR A 4 -8.896 6.423 -1.803 1.00 0.00 H new ATOM 72 N LEU A 5 -7.114 7.509 -4.156 1.00 0.00 N ATOM 73 CA LEU A 5 -7.356 8.659 -5.093 1.00 0.00 C ATOM 74 C LEU A 5 -7.383 10.089 -4.447 1.00 0.00 C ATOM 75 O LEU A 5 -6.678 10.992 -4.910 1.00 0.00 O ATOM 76 CB LEU A 5 -8.629 8.290 -5.921 1.00 0.00 C ATOM 77 CG LEU A 5 -9.010 9.186 -7.139 1.00 0.00 C ATOM 78 CD1 LEU A 5 -9.922 8.420 -8.118 1.00 0.00 C ATOM 79 CD2 LEU A 5 -9.745 10.480 -6.747 1.00 0.00 C ATOM 0 H LEU A 5 -7.799 6.759 -4.253 1.00 0.00 H new ATOM 0 HA LEU A 5 -6.490 8.775 -5.745 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -8.503 7.271 -6.286 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -9.478 8.281 -5.237 1.00 0.00 H new ATOM 0 HG LEU A 5 -8.059 9.452 -7.601 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -10.175 9.065 -8.960 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -9.402 7.534 -8.483 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -10.835 8.119 -7.605 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -9.978 11.052 -7.645 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -10.669 10.230 -6.226 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -9.109 11.076 -6.092 1.00 0.00 H new ATOM 91 N GLN A 6 -8.151 10.275 -3.357 1.00 0.00 N ATOM 92 CA GLN A 6 -8.066 11.500 -2.502 1.00 0.00 C ATOM 93 C GLN A 6 -6.669 11.772 -1.846 1.00 0.00 C ATOM 94 O GLN A 6 -6.191 12.911 -1.890 1.00 0.00 O ATOM 95 CB GLN A 6 -9.191 11.476 -1.430 1.00 0.00 C ATOM 96 CG GLN A 6 -10.636 11.670 -1.958 1.00 0.00 C ATOM 97 CD GLN A 6 -11.727 11.708 -0.878 1.00 0.00 C ATOM 98 OE1 GLN A 6 -11.501 11.914 0.309 1.00 0.00 O ATOM 99 NE2 GLN A 6 -12.970 11.540 -1.261 1.00 0.00 N ATOM 0 H GLN A 6 -8.843 9.597 -3.037 1.00 0.00 H new ATOM 0 HA GLN A 6 -8.207 12.339 -3.184 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -9.143 10.523 -0.902 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -8.985 12.257 -0.698 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -10.677 12.600 -2.526 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -10.863 10.862 -2.653 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -13.182 11.367 -2.244 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -13.725 11.582 -0.576 1.00 0.00 H new ATOM 108 N GLU A 7 -6.001 10.740 -1.291 1.00 0.00 N ATOM 109 CA GLU A 7 -4.583 10.842 -0.845 1.00 0.00 C ATOM 110 C GLU A 7 -3.533 11.156 -1.968 1.00 0.00 C ATOM 111 O GLU A 7 -2.623 11.945 -1.718 1.00 0.00 O ATOM 112 CB GLU A 7 -4.206 9.589 0.007 1.00 0.00 C ATOM 113 CG GLU A 7 -3.752 9.888 1.458 1.00 0.00 C ATOM 114 CD GLU A 7 -2.456 10.689 1.599 1.00 0.00 C ATOM 115 OE1 GLU A 7 -1.339 10.184 1.637 1.00 0.00 O ATOM 116 OE2 GLU A 7 -2.681 12.030 1.683 1.00 0.00 O ATOM 0 H GLU A 7 -6.416 9.821 -1.138 1.00 0.00 H new ATOM 0 HA GLU A 7 -4.528 11.734 -0.221 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -5.067 8.922 0.043 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -3.407 9.050 -0.503 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -4.550 10.432 1.963 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -3.630 8.941 1.983 1.00 0.00 H new ATOM 123 N TRP A 8 -3.671 10.616 -3.198 1.00 0.00 N ATOM 124 CA TRP A 8 -2.918 11.085 -4.399 1.00 0.00 C ATOM 125 C TRP A 8 -3.130 12.600 -4.728 1.00 0.00 C ATOM 126 O TRP A 8 -2.138 13.317 -4.868 1.00 0.00 O ATOM 127 CB TRP A 8 -3.237 10.140 -5.597 1.00 0.00 C ATOM 128 CG TRP A 8 -2.418 10.407 -6.876 1.00 0.00 C ATOM 129 CD1 TRP A 8 -1.162 9.844 -7.193 1.00 0.00 C ATOM 130 CD2 TRP A 8 -2.697 11.287 -7.916 1.00 0.00 C ATOM 131 NE1 TRP A 8 -0.655 10.347 -8.405 1.00 0.00 N ATOM 132 CE2 TRP A 8 -1.610 11.253 -8.824 1.00 0.00 C ATOM 133 CE3 TRP A 8 -3.785 12.170 -8.140 1.00 0.00 C ATOM 134 CZ2 TRP A 8 -1.589 12.119 -9.944 1.00 0.00 C ATOM 135 CZ3 TRP A 8 -3.737 13.022 -9.244 1.00 0.00 C ATOM 136 CH2 TRP A 8 -2.655 13.000 -10.132 1.00 0.00 C ATOM 0 H TRP A 8 -4.306 9.842 -3.395 1.00 0.00 H new ATOM 0 HA TRP A 8 -1.852 11.025 -4.179 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -3.066 9.110 -5.283 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -4.296 10.228 -5.837 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -0.653 9.116 -6.579 1.00 0.00 H new ATOM 0 HE1 TRP A 8 0.219 10.099 -8.869 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -4.632 12.182 -7.470 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -0.763 12.098 -10.640 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -4.550 13.712 -9.417 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -2.645 13.675 -10.975 1.00 0.00 H new ATOM 147 N ASN A 9 -4.385 13.088 -4.827 1.00 0.00 N ATOM 148 CA ASN A 9 -4.677 14.538 -5.021 1.00 0.00 C ATOM 149 C ASN A 9 -4.094 15.487 -3.914 1.00 0.00 C ATOM 150 O ASN A 9 -3.421 16.460 -4.262 1.00 0.00 O ATOM 151 CB ASN A 9 -6.206 14.675 -5.256 1.00 0.00 C ATOM 152 CG ASN A 9 -6.682 16.032 -5.797 1.00 0.00 C ATOM 153 OD1 ASN A 9 -5.962 16.789 -6.443 1.00 0.00 O ATOM 154 ND2 ASN A 9 -7.931 16.361 -5.577 1.00 0.00 N ATOM 0 H ASN A 9 -5.219 12.503 -4.776 1.00 0.00 H new ATOM 0 HA ASN A 9 -4.141 14.897 -5.899 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -6.518 13.898 -5.954 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -6.718 14.482 -4.313 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -8.299 17.240 -5.941 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -8.536 15.738 -5.042 1.00 0.00 H new ATOM 161 N ALA A 10 -4.274 15.167 -2.616 1.00 0.00 N ATOM 162 CA ALA A 10 -3.511 15.804 -1.504 1.00 0.00 C ATOM 163 C ALA A 10 -1.944 15.689 -1.532 1.00 0.00 C ATOM 164 O ALA A 10 -1.258 16.663 -1.216 1.00 0.00 O ATOM 165 CB ALA A 10 -4.110 15.235 -0.203 1.00 0.00 C ATOM 0 H ALA A 10 -4.945 14.466 -2.303 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.631 16.883 -1.604 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.592 15.664 0.654 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.169 15.486 -0.150 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.993 14.151 -0.192 1.00 0.00 H new ATOM 171 N ARG A 11 -1.380 14.530 -1.918 1.00 0.00 N ATOM 172 CA ARG A 11 0.088 14.343 -2.121 1.00 0.00 C ATOM 173 C ARG A 11 0.736 15.096 -3.337 1.00 0.00 C ATOM 174 O ARG A 11 1.940 15.369 -3.287 1.00 0.00 O ATOM 175 CB ARG A 11 0.326 12.803 -2.127 1.00 0.00 C ATOM 176 CG ARG A 11 1.790 12.304 -2.223 1.00 0.00 C ATOM 177 CD ARG A 11 2.263 12.064 -3.675 1.00 0.00 C ATOM 178 NE ARG A 11 3.732 11.829 -3.751 1.00 0.00 N ATOM 179 CZ ARG A 11 4.664 12.779 -3.864 1.00 0.00 C ATOM 180 NH1 ARG A 11 4.412 14.066 -3.826 1.00 0.00 N ATOM 181 NH2 ARG A 11 5.903 12.408 -4.013 1.00 0.00 N ATOM 0 H ARG A 11 -1.923 13.686 -2.101 1.00 0.00 H new ATOM 0 HA ARG A 11 0.619 14.831 -1.304 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -0.110 12.392 -1.216 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -0.229 12.381 -2.965 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.447 13.035 -1.751 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.888 11.376 -1.659 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.736 11.205 -4.091 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.001 12.926 -4.289 1.00 0.00 H new ATOM 0 HE ARG A 11 4.053 10.862 -3.714 1.00 0.00 H new ATOM 0 HH11 ARG A 11 3.454 14.395 -3.704 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.174 14.738 -3.919 1.00 0.00 H new ATOM 0 HH21 ARG A 11 6.139 11.416 -4.041 1.00 0.00 H new ATOM 0 HH22 ARG A 11 6.638 13.109 -4.102 1.00 0.00 H new ATOM 195 N GLN A 12 0.002 15.422 -4.419 1.00 0.00 N ATOM 196 CA GLN A 12 0.487 16.369 -5.465 1.00 0.00 C ATOM 197 C GLN A 12 0.563 17.836 -4.917 1.00 0.00 C ATOM 198 O GLN A 12 -0.365 18.297 -4.247 1.00 0.00 O ATOM 199 CB GLN A 12 -0.435 16.315 -6.717 1.00 0.00 C ATOM 200 CG GLN A 12 -0.606 14.968 -7.475 1.00 0.00 C ATOM 201 CD GLN A 12 0.677 14.274 -7.942 1.00 0.00 C ATOM 202 OE1 GLN A 12 1.286 14.637 -8.941 1.00 0.00 O ATOM 203 NE2 GLN A 12 1.110 13.246 -7.255 1.00 0.00 N ATOM 0 H GLN A 12 -0.930 15.048 -4.599 1.00 0.00 H new ATOM 0 HA GLN A 12 1.493 16.061 -5.750 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.427 16.646 -6.409 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.062 17.049 -7.432 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -1.149 14.280 -6.827 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -1.234 15.146 -8.348 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.606 12.940 -6.423 1.00 0.00 H new ATOM 0 HE22 GLN A 12 1.951 12.751 -7.553 1.00 0.00 H new ATOM 212 N ARG A 13 1.662 18.571 -5.199 1.00 0.00 N ATOM 213 CA ARG A 13 1.977 19.858 -4.496 1.00 0.00 C ATOM 214 C ARG A 13 0.867 20.972 -4.458 1.00 0.00 C ATOM 215 O ARG A 13 0.673 21.589 -3.408 1.00 0.00 O ATOM 216 CB ARG A 13 3.332 20.415 -5.027 1.00 0.00 C ATOM 217 CG ARG A 13 4.041 21.379 -4.038 1.00 0.00 C ATOM 218 CD ARG A 13 5.120 22.262 -4.689 1.00 0.00 C ATOM 219 NE ARG A 13 5.728 23.119 -3.631 1.00 0.00 N ATOM 220 CZ ARG A 13 6.462 24.212 -3.839 1.00 0.00 C ATOM 221 NH1 ARG A 13 6.775 24.663 -5.029 1.00 0.00 N ATOM 222 NH2 ARG A 13 6.892 24.870 -2.801 1.00 0.00 N ATOM 0 H ARG A 13 2.350 18.306 -5.904 1.00 0.00 H new ATOM 0 HA ARG A 13 2.039 19.580 -3.444 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.997 19.580 -5.246 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.156 20.938 -5.967 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.293 22.021 -3.573 1.00 0.00 H new ATOM 0 HG3 ARG A 13 4.498 20.793 -3.241 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.883 21.643 -5.160 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.682 22.880 -5.473 1.00 0.00 H new ATOM 0 HE ARG A 13 5.568 22.844 -2.662 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.453 24.170 -5.862 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.341 25.507 -5.122 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.665 24.545 -1.861 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.456 25.710 -2.928 1.00 0.00 H new ATOM 236 N ARG A 14 0.149 21.217 -5.570 1.00 0.00 N ATOM 237 CA ARG A 14 -1.126 21.984 -5.539 1.00 0.00 C ATOM 238 C ARG A 14 -2.338 20.998 -5.694 1.00 0.00 C ATOM 239 O ARG A 14 -2.521 20.474 -6.802 1.00 0.00 O ATOM 240 CB ARG A 14 -1.131 23.094 -6.621 1.00 0.00 C ATOM 241 CG ARG A 14 -0.266 24.328 -6.259 1.00 0.00 C ATOM 242 CD ARG A 14 -0.314 25.468 -7.291 1.00 0.00 C ATOM 243 NE ARG A 14 -1.622 26.183 -7.255 1.00 0.00 N ATOM 244 CZ ARG A 14 -1.947 27.239 -8.002 1.00 0.00 C ATOM 245 NH1 ARG A 14 -1.140 27.781 -8.881 1.00 0.00 N ATOM 246 NH2 ARG A 14 -3.130 27.761 -7.852 1.00 0.00 N ATOM 0 H ARG A 14 0.422 20.900 -6.500 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.222 22.487 -4.577 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.772 22.674 -7.560 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -2.158 23.419 -6.789 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -0.594 24.715 -5.294 1.00 0.00 H new ATOM 0 HG3 ARG A 14 0.769 24.007 -6.139 1.00 0.00 H new ATOM 0 HD2 ARG A 14 0.493 26.173 -7.093 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.146 25.064 -8.289 1.00 0.00 H new ATOM 0 HE ARG A 14 -2.327 25.836 -6.605 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -0.207 27.395 -9.022 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -1.445 28.589 -9.424 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -3.782 27.362 -7.176 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -3.405 28.569 -8.410 1.00 0.00 H new ATOM 260 N PRO A 15 -3.194 20.732 -4.660 1.00 0.00 N ATOM 261 CA PRO A 15 -4.384 19.853 -4.808 1.00 0.00 C ATOM 262 C PRO A 15 -5.568 20.549 -5.557 1.00 0.00 C ATOM 263 O PRO A 15 -5.886 21.719 -5.322 1.00 0.00 O ATOM 264 CB PRO A 15 -4.693 19.495 -3.342 1.00 0.00 C ATOM 265 CG PRO A 15 -4.220 20.693 -2.518 1.00 0.00 C ATOM 266 CD PRO A 15 -3.004 21.226 -3.279 1.00 0.00 C ATOM 0 HA PRO A 15 -4.213 18.976 -5.433 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -5.759 19.317 -3.198 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.174 18.584 -3.043 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -5.000 21.450 -2.435 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.954 20.397 -1.503 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.961 22.315 -3.248 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.073 20.858 -2.849 1.00 0.00 H new ATOM 274 N ARG A 16 -6.191 19.816 -6.487 1.00 0.00 N ATOM 275 CA ARG A 16 -7.263 20.357 -7.376 1.00 0.00 C ATOM 276 C ARG A 16 -8.671 19.740 -7.075 1.00 0.00 C ATOM 277 O ARG A 16 -8.875 19.034 -6.081 1.00 0.00 O ATOM 278 CB ARG A 16 -6.740 20.198 -8.839 1.00 0.00 C ATOM 279 CG ARG A 16 -6.674 18.746 -9.397 1.00 0.00 C ATOM 280 CD ARG A 16 -5.613 18.515 -10.490 1.00 0.00 C ATOM 281 NE ARG A 16 -4.218 18.732 -9.996 1.00 0.00 N ATOM 282 CZ ARG A 16 -3.499 17.875 -9.273 1.00 0.00 C ATOM 283 NH1 ARG A 16 -3.921 16.689 -8.920 1.00 0.00 N ATOM 284 NH2 ARG A 16 -2.318 18.245 -8.886 1.00 0.00 N ATOM 0 H ARG A 16 -5.978 18.833 -6.656 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.452 21.414 -7.192 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.379 20.788 -9.496 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -5.741 20.631 -8.894 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -6.476 18.064 -8.570 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -7.652 18.483 -9.800 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.705 17.498 -10.871 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -5.807 19.187 -11.326 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.776 19.619 -10.235 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.850 16.374 -9.200 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.321 16.079 -8.365 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.965 19.169 -9.137 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.742 17.612 -8.331 1.00 0.00 H new ATOM 298 N SER A 17 -9.657 19.987 -7.955 1.00 0.00 N ATOM 299 CA SER A 17 -10.968 19.285 -7.898 1.00 0.00 C ATOM 300 C SER A 17 -10.862 17.770 -8.269 1.00 0.00 C ATOM 301 O SER A 17 -10.208 17.384 -9.246 1.00 0.00 O ATOM 302 CB SER A 17 -11.955 20.020 -8.833 1.00 0.00 C ATOM 303 OG SER A 17 -12.259 21.323 -8.338 1.00 0.00 O ATOM 0 H SER A 17 -9.580 20.663 -8.714 1.00 0.00 H new ATOM 0 HA SER A 17 -11.330 19.310 -6.870 1.00 0.00 H new ATOM 0 HB2 SER A 17 -11.525 20.098 -9.831 1.00 0.00 H new ATOM 0 HB3 SER A 17 -12.873 19.440 -8.926 1.00 0.00 H new ATOM 0 HG SER A 17 -12.884 21.767 -8.948 1.00 0.00 H new ATOM 309 N LEU A 18 -11.557 16.913 -7.501 1.00 0.00 N ATOM 310 CA LEU A 18 -11.662 15.449 -7.799 1.00 0.00 C ATOM 311 C LEU A 18 -12.310 15.084 -9.181 1.00 0.00 C ATOM 312 O LEU A 18 -11.831 14.164 -9.846 1.00 0.00 O ATOM 313 CB LEU A 18 -12.380 14.744 -6.611 1.00 0.00 C ATOM 314 CG LEU A 18 -11.637 14.742 -5.243 1.00 0.00 C ATOM 315 CD1 LEU A 18 -12.598 14.362 -4.104 1.00 0.00 C ATOM 316 CD2 LEU A 18 -10.434 13.782 -5.231 1.00 0.00 C ATOM 0 H LEU A 18 -12.062 17.198 -6.662 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.642 15.078 -7.902 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -13.350 15.220 -6.470 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -12.571 13.709 -6.895 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.264 15.755 -5.091 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -12.059 14.366 -3.157 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -13.414 15.083 -4.061 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -13.003 13.367 -4.286 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.950 13.817 -4.255 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.777 12.767 -5.429 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.722 14.081 -6.000 1.00 0.00 H new ATOM 328 N GLU A 19 -13.324 15.839 -9.650 1.00 0.00 N ATOM 329 CA GLU A 19 -13.793 15.819 -11.070 1.00 0.00 C ATOM 330 C GLU A 19 -12.699 16.074 -12.172 1.00 0.00 C ATOM 331 O GLU A 19 -12.691 15.368 -13.184 1.00 0.00 O ATOM 332 CB GLU A 19 -14.971 16.825 -11.215 1.00 0.00 C ATOM 333 CG GLU A 19 -16.270 16.466 -10.445 1.00 0.00 C ATOM 334 CD GLU A 19 -17.388 17.499 -10.599 1.00 0.00 C ATOM 335 OE1 GLU A 19 -17.829 17.877 -11.680 1.00 0.00 O ATOM 336 OE2 GLU A 19 -17.852 17.944 -9.399 1.00 0.00 O ATOM 0 H GLU A 19 -13.849 16.485 -9.061 1.00 0.00 H new ATOM 0 HA GLU A 19 -14.107 14.793 -11.265 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -14.631 17.804 -10.877 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.214 16.920 -12.273 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -16.632 15.499 -10.794 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -16.034 16.355 -9.387 1.00 0.00 H new ATOM 343 N THR A 20 -11.766 17.029 -11.973 1.00 0.00 N ATOM 344 CA THR A 20 -10.566 17.213 -12.851 1.00 0.00 C ATOM 345 C THR A 20 -9.597 15.980 -12.879 1.00 0.00 C ATOM 346 O THR A 20 -9.258 15.503 -13.966 1.00 0.00 O ATOM 347 CB THR A 20 -9.839 18.546 -12.471 1.00 0.00 C ATOM 348 OG1 THR A 20 -10.739 19.649 -12.459 1.00 0.00 O ATOM 349 CG2 THR A 20 -8.701 18.956 -13.421 1.00 0.00 C ATOM 0 H THR A 20 -11.813 17.698 -11.204 1.00 0.00 H new ATOM 0 HA THR A 20 -10.922 17.286 -13.878 1.00 0.00 H new ATOM 0 HB THR A 20 -9.427 18.327 -11.486 1.00 0.00 H new ATOM 0 HG1 THR A 20 -10.253 20.465 -12.216 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.258 19.891 -13.076 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.939 18.177 -13.434 1.00 0.00 H new ATOM 0 HG23 THR A 20 -9.098 19.092 -14.427 1.00 0.00 H new ATOM 357 N VAL A 21 -9.207 15.427 -11.711 1.00 0.00 N ATOM 358 CA VAL A 21 -8.492 14.108 -11.617 1.00 0.00 C ATOM 359 C VAL A 21 -9.265 12.914 -12.292 1.00 0.00 C ATOM 360 O VAL A 21 -8.668 12.165 -13.068 1.00 0.00 O ATOM 361 CB VAL A 21 -8.073 13.811 -10.129 1.00 0.00 C ATOM 362 CG1 VAL A 21 -7.289 12.485 -9.956 1.00 0.00 C ATOM 363 CG2 VAL A 21 -7.206 14.923 -9.489 1.00 0.00 C ATOM 0 H VAL A 21 -9.371 15.867 -10.806 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.581 14.199 -12.208 1.00 0.00 H new ATOM 0 HB VAL A 21 -9.036 13.749 -9.623 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.034 12.347 -8.905 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.906 11.651 -10.292 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.375 12.523 -10.549 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.958 14.646 -8.464 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.288 15.045 -10.064 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.761 15.861 -9.487 1.00 0.00 H new ATOM 373 N ARG A 22 -10.579 12.763 -12.044 1.00 0.00 N ATOM 374 CA ARG A 22 -11.456 11.796 -12.768 1.00 0.00 C ATOM 375 C ARG A 22 -11.505 11.973 -14.331 1.00 0.00 C ATOM 376 O ARG A 22 -11.427 10.973 -15.051 1.00 0.00 O ATOM 377 CB ARG A 22 -12.858 11.871 -12.090 1.00 0.00 C ATOM 378 CG ARG A 22 -13.763 10.616 -12.129 1.00 0.00 C ATOM 379 CD ARG A 22 -14.205 10.134 -13.526 1.00 0.00 C ATOM 380 NE ARG A 22 -15.474 9.353 -13.438 1.00 0.00 N ATOM 381 CZ ARG A 22 -16.704 9.855 -13.598 1.00 0.00 C ATOM 382 NH1 ARG A 22 -16.944 11.103 -13.918 1.00 0.00 N ATOM 383 NH2 ARG A 22 -17.725 9.067 -13.419 1.00 0.00 N ATOM 0 H ARG A 22 -11.073 13.305 -11.336 1.00 0.00 H new ATOM 0 HA ARG A 22 -11.032 10.796 -12.677 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.707 12.139 -11.044 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -13.407 12.691 -12.553 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.236 9.799 -11.636 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -14.657 10.820 -11.539 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -14.345 10.991 -14.184 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -13.422 9.517 -13.968 1.00 0.00 H new ATOM 0 HE ARG A 22 -15.397 8.355 -13.240 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -16.169 11.751 -14.059 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -17.905 11.426 -14.026 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -17.577 8.091 -13.163 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -18.673 9.426 -13.535 1.00 0.00 H new ATOM 397 N ARG A 23 -11.589 13.213 -14.862 1.00 0.00 N ATOM 398 CA ARG A 23 -11.376 13.487 -16.316 1.00 0.00 C ATOM 399 C ARG A 23 -9.937 13.181 -16.865 1.00 0.00 C ATOM 400 O ARG A 23 -9.819 12.639 -17.965 1.00 0.00 O ATOM 401 CB ARG A 23 -11.838 14.931 -16.672 1.00 0.00 C ATOM 402 CG ARG A 23 -12.397 15.038 -18.115 1.00 0.00 C ATOM 403 CD ARG A 23 -12.709 16.476 -18.565 1.00 0.00 C ATOM 404 NE ARG A 23 -13.393 16.424 -19.890 1.00 0.00 N ATOM 405 CZ ARG A 23 -13.439 17.410 -20.787 1.00 0.00 C ATOM 406 NH1 ARG A 23 -12.862 18.573 -20.620 1.00 0.00 N ATOM 407 NH2 ARG A 23 -14.096 17.205 -21.892 1.00 0.00 N ATOM 0 H ARG A 23 -11.802 14.045 -14.312 1.00 0.00 H new ATOM 0 HA ARG A 23 -12.005 12.764 -16.836 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -12.604 15.248 -15.965 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -10.997 15.616 -16.560 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -11.675 14.602 -18.806 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -13.307 14.442 -18.186 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -13.344 16.972 -17.831 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.790 17.058 -18.637 1.00 0.00 H new ATOM 0 HE ARG A 23 -13.869 15.555 -20.132 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -12.340 18.765 -19.765 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -12.934 19.287 -21.345 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -14.557 16.310 -22.052 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -14.149 17.940 -22.597 1.00 0.00 H new ATOM 421 N TRP A 24 -8.861 13.472 -16.110 1.00 0.00 N ATOM 422 CA TRP A 24 -7.481 12.974 -16.410 1.00 0.00 C ATOM 423 C TRP A 24 -7.314 11.412 -16.465 1.00 0.00 C ATOM 424 O TRP A 24 -6.626 10.910 -17.357 1.00 0.00 O ATOM 425 CB TRP A 24 -6.485 13.606 -15.399 1.00 0.00 C ATOM 426 CG TRP A 24 -6.250 15.130 -15.428 1.00 0.00 C ATOM 427 CD1 TRP A 24 -6.862 16.111 -16.249 1.00 0.00 C ATOM 428 CD2 TRP A 24 -5.371 15.829 -14.621 1.00 0.00 C ATOM 429 NE1 TRP A 24 -6.361 17.401 -15.988 1.00 0.00 N ATOM 430 CE2 TRP A 24 -5.436 17.200 -14.978 1.00 0.00 C ATOM 431 CE3 TRP A 24 -4.505 15.397 -13.584 1.00 0.00 C ATOM 432 CZ2 TRP A 24 -4.614 18.143 -14.318 1.00 0.00 C ATOM 433 CZ3 TRP A 24 -3.724 16.350 -12.932 1.00 0.00 C ATOM 434 CH2 TRP A 24 -3.761 17.698 -13.308 1.00 0.00 C ATOM 0 H TRP A 24 -8.910 14.056 -15.275 1.00 0.00 H new ATOM 0 HA TRP A 24 -7.263 13.292 -17.430 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -6.825 13.345 -14.397 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -5.519 13.122 -15.544 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -7.621 15.895 -16.986 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -6.620 18.279 -16.438 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -4.452 14.355 -13.306 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -4.646 19.187 -14.591 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -3.079 16.043 -12.122 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -3.118 18.406 -12.807 1.00 0.00 H new ATOM 445 N VAL A 25 -7.971 10.650 -15.566 1.00 0.00 N ATOM 446 CA VAL A 25 -8.154 9.167 -15.702 1.00 0.00 C ATOM 447 C VAL A 25 -8.950 8.755 -16.995 1.00 0.00 C ATOM 448 O VAL A 25 -8.494 7.878 -17.732 1.00 0.00 O ATOM 449 CB VAL A 25 -8.760 8.575 -14.375 1.00 0.00 C ATOM 450 CG1 VAL A 25 -9.036 7.051 -14.425 1.00 0.00 C ATOM 451 CG2 VAL A 25 -7.875 8.797 -13.122 1.00 0.00 C ATOM 0 H VAL A 25 -8.394 11.034 -14.721 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.171 8.719 -15.845 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.693 9.132 -14.295 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.452 6.725 -13.472 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.746 6.836 -15.223 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.104 6.519 -14.615 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.362 8.360 -12.250 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.906 8.321 -13.272 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.734 9.866 -12.961 1.00 0.00 H new ATOM 461 N ARG A 26 -10.099 9.392 -17.294 1.00 0.00 N ATOM 462 CA ARG A 26 -10.833 9.207 -18.585 1.00 0.00 C ATOM 463 C ARG A 26 -10.046 9.556 -19.901 1.00 0.00 C ATOM 464 O ARG A 26 -10.186 8.824 -20.883 1.00 0.00 O ATOM 465 CB ARG A 26 -12.183 9.973 -18.505 1.00 0.00 C ATOM 466 CG ARG A 26 -13.231 9.436 -17.487 1.00 0.00 C ATOM 467 CD ARG A 26 -14.256 8.425 -18.053 1.00 0.00 C ATOM 468 NE ARG A 26 -13.683 7.059 -18.249 1.00 0.00 N ATOM 469 CZ ARG A 26 -13.722 6.056 -17.370 1.00 0.00 C ATOM 470 NH1 ARG A 26 -14.287 6.146 -16.193 1.00 0.00 N ATOM 471 NH2 ARG A 26 -13.170 4.924 -17.698 1.00 0.00 N ATOM 0 H ARG A 26 -10.552 10.049 -16.658 1.00 0.00 H new ATOM 0 HA ARG A 26 -10.990 8.133 -18.684 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -11.970 11.013 -18.258 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.637 9.967 -19.496 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -12.700 8.963 -16.661 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -13.775 10.284 -17.072 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -15.108 8.362 -17.376 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -14.634 8.795 -19.006 1.00 0.00 H new ATOM 0 HE ARG A 26 -13.218 6.876 -19.138 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -14.730 7.019 -15.905 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -14.285 5.343 -15.564 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -12.722 4.820 -18.608 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -13.186 4.141 -17.045 1.00 0.00 H new ATOM 485 N GLU A 27 -9.196 10.604 -19.925 1.00 0.00 N ATOM 486 CA GLU A 27 -8.147 10.773 -20.983 1.00 0.00 C ATOM 487 C GLU A 27 -6.958 9.740 -20.998 1.00 0.00 C ATOM 488 O GLU A 27 -6.213 9.717 -21.980 1.00 0.00 O ATOM 489 CB GLU A 27 -7.553 12.212 -20.883 1.00 0.00 C ATOM 490 CG GLU A 27 -8.404 13.354 -21.489 1.00 0.00 C ATOM 491 CD GLU A 27 -7.682 14.707 -21.584 1.00 0.00 C ATOM 492 OE1 GLU A 27 -6.471 14.848 -21.775 1.00 0.00 O ATOM 493 OE2 GLU A 27 -8.547 15.752 -21.462 1.00 0.00 O ATOM 0 H GLU A 27 -9.206 11.351 -19.230 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.681 10.584 -21.914 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.380 12.437 -19.831 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.580 12.214 -21.374 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -8.727 13.058 -22.487 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.304 13.478 -20.886 1.00 0.00 H new ATOM 500 N SER A 28 -6.724 8.951 -19.928 1.00 0.00 N ATOM 501 CA SER A 28 -5.462 8.179 -19.703 1.00 0.00 C ATOM 502 C SER A 28 -4.148 9.041 -19.596 1.00 0.00 C ATOM 503 O SER A 28 -3.113 8.734 -20.194 1.00 0.00 O ATOM 504 CB SER A 28 -5.401 6.960 -20.658 1.00 0.00 C ATOM 505 OG SER A 28 -4.464 5.993 -20.185 1.00 0.00 O ATOM 0 H SER A 28 -7.408 8.824 -19.182 1.00 0.00 H new ATOM 0 HA SER A 28 -5.506 7.778 -18.690 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.389 6.506 -20.740 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.118 7.289 -21.658 1.00 0.00 H new ATOM 0 HG SER A 28 -3.609 6.432 -19.993 1.00 0.00 H new ATOM 511 N ARG A 29 -4.196 10.118 -18.789 1.00 0.00 N ATOM 512 CA ARG A 29 -3.031 11.018 -18.541 1.00 0.00 C ATOM 513 C ARG A 29 -2.104 10.585 -17.361 1.00 0.00 C ATOM 514 O ARG A 29 -0.890 10.776 -17.458 1.00 0.00 O ATOM 515 CB ARG A 29 -3.540 12.472 -18.338 1.00 0.00 C ATOM 516 CG ARG A 29 -3.969 13.208 -19.630 1.00 0.00 C ATOM 517 CD ARG A 29 -2.825 13.963 -20.336 1.00 0.00 C ATOM 518 NE ARG A 29 -3.401 14.750 -21.458 1.00 0.00 N ATOM 519 CZ ARG A 29 -2.755 15.671 -22.168 1.00 0.00 C ATOM 520 NH1 ARG A 29 -1.493 15.978 -21.993 1.00 0.00 N ATOM 521 NH2 ARG A 29 -3.419 16.304 -23.091 1.00 0.00 N ATOM 0 H ARG A 29 -5.039 10.397 -18.286 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.399 10.950 -19.426 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.388 12.451 -17.653 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.753 13.051 -17.854 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.394 12.483 -20.324 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.761 13.916 -19.386 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.316 14.622 -19.633 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.081 13.260 -20.710 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.374 14.568 -21.704 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.946 15.499 -21.277 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.058 16.695 -22.573 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.403 16.087 -23.251 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.956 17.017 -23.655 1.00 0.00 H new ATOM 535 N ILE A 30 -2.646 10.076 -16.236 1.00 0.00 N ATOM 536 CA ILE A 30 -1.842 9.741 -15.022 1.00 0.00 C ATOM 537 C ILE A 30 -1.186 8.335 -15.218 1.00 0.00 C ATOM 538 O ILE A 30 -1.876 7.310 -15.208 1.00 0.00 O ATOM 539 CB ILE A 30 -2.685 9.896 -13.707 1.00 0.00 C ATOM 540 CG1 ILE A 30 -3.318 11.312 -13.516 1.00 0.00 C ATOM 541 CG2 ILE A 30 -1.822 9.567 -12.459 1.00 0.00 C ATOM 542 CD1 ILE A 30 -4.566 11.325 -12.616 1.00 0.00 C ATOM 0 H ILE A 30 -3.642 9.884 -16.134 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.029 10.456 -14.898 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.505 9.186 -13.812 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.569 11.979 -13.090 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.584 11.714 -14.494 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.426 9.681 -11.559 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.461 8.541 -12.527 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.972 10.248 -12.414 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.945 12.344 -12.534 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.335 10.686 -13.051 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.304 10.955 -11.625 1.00 0.00 H new ATOM 554 N PHE A 31 0.143 8.317 -15.429 1.00 0.00 N ATOM 555 CA PHE A 31 0.876 7.113 -15.904 1.00 0.00 C ATOM 556 C PHE A 31 2.069 6.736 -14.948 1.00 0.00 C ATOM 557 O PHE A 31 2.828 7.644 -14.578 1.00 0.00 O ATOM 558 CB PHE A 31 1.328 7.353 -17.382 1.00 0.00 C ATOM 559 CG PHE A 31 0.863 6.260 -18.356 1.00 0.00 C ATOM 560 CD1 PHE A 31 -0.430 6.310 -18.890 1.00 0.00 C ATOM 561 CD2 PHE A 31 1.705 5.194 -18.692 1.00 0.00 C ATOM 562 CE1 PHE A 31 -0.876 5.304 -19.744 1.00 0.00 C ATOM 563 CE2 PHE A 31 1.255 4.187 -19.544 1.00 0.00 C ATOM 564 CZ PHE A 31 -0.034 4.243 -20.069 1.00 0.00 C ATOM 0 H PHE A 31 0.743 9.128 -15.278 1.00 0.00 H new ATOM 0 HA PHE A 31 0.214 6.248 -15.882 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.942 8.315 -17.719 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.416 7.417 -17.414 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.084 7.132 -18.639 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.706 5.151 -18.290 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.874 5.347 -20.154 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.906 3.363 -19.797 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.381 3.462 -20.729 1.00 0.00 H new ATOM 574 N PRO A 32 2.300 5.450 -14.528 1.00 0.00 N ATOM 575 CA PRO A 32 1.477 4.265 -14.917 1.00 0.00 C ATOM 576 C PRO A 32 0.022 4.203 -14.311 1.00 0.00 C ATOM 577 O PRO A 32 -0.203 4.776 -13.238 1.00 0.00 O ATOM 578 CB PRO A 32 2.374 3.088 -14.484 1.00 0.00 C ATOM 579 CG PRO A 32 3.224 3.630 -13.335 1.00 0.00 C ATOM 580 CD PRO A 32 3.488 5.083 -13.728 1.00 0.00 C ATOM 0 HA PRO A 32 1.236 4.276 -15.980 1.00 0.00 H new ATOM 0 HB2 PRO A 32 1.776 2.235 -14.163 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.999 2.746 -15.309 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.698 3.563 -12.383 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.153 3.070 -13.226 1.00 0.00 H new ATOM 0 HD2 PRO A 32 3.594 5.722 -12.851 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.407 5.181 -14.307 1.00 0.00 H new ATOM 588 N PRO A 33 -0.997 3.572 -14.971 1.00 0.00 N ATOM 589 CA PRO A 33 -2.421 3.695 -14.550 1.00 0.00 C ATOM 590 C PRO A 33 -2.809 3.024 -13.176 1.00 0.00 C ATOM 591 O PRO A 33 -2.235 1.982 -12.835 1.00 0.00 O ATOM 592 CB PRO A 33 -3.170 3.094 -15.758 1.00 0.00 C ATOM 593 CG PRO A 33 -2.177 2.130 -16.410 1.00 0.00 C ATOM 594 CD PRO A 33 -0.826 2.820 -16.232 1.00 0.00 C ATOM 0 HA PRO A 33 -2.680 4.730 -14.326 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -4.073 2.573 -15.441 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -3.479 3.872 -16.456 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.193 1.153 -15.928 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -2.408 1.970 -17.463 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -0.011 2.099 -16.164 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.598 3.481 -17.068 1.00 0.00 H new ATOM 602 N PRO A 34 -3.771 3.562 -12.366 1.00 0.00 N ATOM 603 CA PRO A 34 -4.099 3.002 -11.024 1.00 0.00 C ATOM 604 C PRO A 34 -4.973 1.706 -11.028 1.00 0.00 C ATOM 605 O PRO A 34 -5.826 1.502 -11.900 1.00 0.00 O ATOM 606 CB PRO A 34 -4.832 4.196 -10.389 1.00 0.00 C ATOM 607 CG PRO A 34 -5.545 4.882 -11.557 1.00 0.00 C ATOM 608 CD PRO A 34 -4.514 4.802 -12.680 1.00 0.00 C ATOM 0 HA PRO A 34 -3.214 2.652 -10.492 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -5.542 3.867 -9.630 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -4.133 4.874 -9.899 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -6.471 4.371 -11.821 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -5.806 5.914 -11.321 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -4.989 4.750 -13.660 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -3.859 5.673 -12.689 1.00 0.00 H new ATOM 616 N VAL A 35 -4.782 0.847 -10.012 1.00 0.00 N ATOM 617 CA VAL A 35 -5.517 -0.450 -9.907 1.00 0.00 C ATOM 618 C VAL A 35 -6.878 -0.285 -9.149 1.00 0.00 C ATOM 619 O VAL A 35 -6.928 0.217 -8.021 1.00 0.00 O ATOM 620 CB VAL A 35 -4.562 -1.571 -9.367 1.00 0.00 C ATOM 621 CG1 VAL A 35 -4.144 -1.497 -7.886 1.00 0.00 C ATOM 622 CG2 VAL A 35 -5.100 -2.992 -9.652 1.00 0.00 C ATOM 0 H VAL A 35 -4.129 1.016 -9.247 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.820 -0.788 -10.898 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.657 -1.364 -9.938 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.485 -2.333 -7.652 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.620 -0.559 -7.702 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.031 -1.546 -7.255 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.402 -3.731 -9.258 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.070 -3.117 -9.171 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.207 -3.131 -10.728 1.00 0.00 H new ATOM 632 N LYS A 36 -7.993 -0.705 -9.775 1.00 0.00 N ATOM 633 CA LYS A 36 -9.343 -0.621 -9.153 1.00 0.00 C ATOM 634 C LYS A 36 -9.622 -1.841 -8.217 1.00 0.00 C ATOM 635 O LYS A 36 -9.686 -2.988 -8.672 1.00 0.00 O ATOM 636 CB LYS A 36 -10.398 -0.485 -10.284 1.00 0.00 C ATOM 637 CG LYS A 36 -11.829 -0.129 -9.794 1.00 0.00 C ATOM 638 CD LYS A 36 -12.855 -1.253 -10.039 1.00 0.00 C ATOM 639 CE LYS A 36 -14.177 -1.018 -9.292 1.00 0.00 C ATOM 640 NZ LYS A 36 -15.185 -1.995 -9.749 1.00 0.00 N ATOM 0 H LYS A 36 -7.994 -1.108 -10.712 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.400 0.258 -8.511 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.066 0.283 -10.982 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.441 -1.423 -10.838 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.795 0.096 -8.728 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.164 0.776 -10.300 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -13.055 -1.331 -11.108 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.428 -2.205 -9.724 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -14.022 -1.116 -8.218 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -14.532 -0.003 -9.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -16.079 -1.834 -9.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -15.341 -1.881 -10.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -14.846 -2.959 -9.556 1.00 0.00 H new ATOM 653 N ASP A 37 -9.811 -1.578 -6.912 1.00 0.00 N ATOM 654 CA ASP A 37 -10.159 -2.632 -5.919 1.00 0.00 C ATOM 655 C ASP A 37 -11.714 -2.835 -5.816 1.00 0.00 C ATOM 656 O ASP A 37 -12.247 -3.799 -6.369 1.00 0.00 O ATOM 657 CB ASP A 37 -9.394 -2.263 -4.614 1.00 0.00 C ATOM 658 CG ASP A 37 -9.407 -3.350 -3.544 1.00 0.00 C ATOM 659 OD1 ASP A 37 -8.438 -4.291 -3.749 1.00 0.00 O ATOM 660 OD2 ASP A 37 -10.204 -3.361 -2.611 1.00 0.00 O ATOM 0 H ASP A 37 -9.730 -0.644 -6.511 1.00 0.00 H new ATOM 0 HA ASP A 37 -9.835 -3.631 -6.209 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.359 -2.033 -4.867 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.830 -1.355 -4.197 1.00 0.00 H new ATOM 665 N GLY A 38 -12.432 -1.930 -5.133 1.00 0.00 N ATOM 666 CA GLY A 38 -13.920 -1.978 -5.021 1.00 0.00 C ATOM 667 C GLY A 38 -14.502 -0.952 -4.023 1.00 0.00 C ATOM 668 O GLY A 38 -15.216 -1.326 -3.094 1.00 0.00 O ATOM 0 H GLY A 38 -12.011 -1.142 -4.640 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -14.355 -1.802 -6.005 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.220 -2.980 -4.715 1.00 0.00 H new ATOM 672 N ARG A 39 -14.147 0.332 -4.203 1.00 0.00 N ATOM 673 CA ARG A 39 -14.226 1.403 -3.157 1.00 0.00 C ATOM 674 C ARG A 39 -13.458 2.669 -3.667 1.00 0.00 C ATOM 675 O ARG A 39 -14.038 3.753 -3.767 1.00 0.00 O ATOM 676 CB ARG A 39 -13.691 0.981 -1.738 1.00 0.00 C ATOM 677 CG ARG A 39 -14.751 0.584 -0.679 1.00 0.00 C ATOM 678 CD ARG A 39 -14.969 1.605 0.461 1.00 0.00 C ATOM 679 NE ARG A 39 -15.969 2.652 0.109 1.00 0.00 N ATOM 680 CZ ARG A 39 -15.702 3.904 -0.267 1.00 0.00 C ATOM 681 NH1 ARG A 39 -14.494 4.379 -0.450 1.00 0.00 N ATOM 682 NH2 ARG A 39 -16.707 4.706 -0.464 1.00 0.00 N ATOM 0 H ARG A 39 -13.788 0.676 -5.093 1.00 0.00 H new ATOM 0 HA ARG A 39 -15.286 1.612 -3.011 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -13.010 0.140 -1.868 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -13.104 1.807 -1.337 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -15.703 0.423 -1.186 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -14.459 -0.369 -0.238 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -15.299 1.079 1.357 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -14.019 2.082 0.703 1.00 0.00 H new ATOM 0 HE ARG A 39 -16.952 2.386 0.160 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -13.682 3.779 -0.304 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -14.366 5.349 -0.738 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -17.661 4.371 -0.330 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -16.541 5.670 -0.752 1.00 0.00 H new ATOM 696 N GLU A 40 -12.144 2.531 -3.939 1.00 0.00 N ATOM 697 CA GLU A 40 -11.251 3.639 -4.366 1.00 0.00 C ATOM 698 C GLU A 40 -10.090 3.077 -5.249 1.00 0.00 C ATOM 699 O GLU A 40 -9.586 1.968 -5.031 1.00 0.00 O ATOM 700 CB GLU A 40 -10.755 4.450 -3.129 1.00 0.00 C ATOM 701 CG GLU A 40 -9.955 3.688 -2.026 1.00 0.00 C ATOM 702 CD GLU A 40 -10.489 3.885 -0.602 1.00 0.00 C ATOM 703 OE1 GLU A 40 -11.637 3.591 -0.270 1.00 0.00 O ATOM 704 OE2 GLU A 40 -9.557 4.413 0.250 1.00 0.00 O ATOM 0 H GLU A 40 -11.662 1.635 -3.868 1.00 0.00 H new ATOM 0 HA GLU A 40 -11.804 4.344 -4.987 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.129 5.265 -3.493 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.626 4.904 -2.656 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.963 2.623 -2.259 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.915 4.014 -2.059 1.00 0.00 H new ATOM 711 N TYR A 41 -9.651 3.864 -6.246 1.00 0.00 N ATOM 712 CA TYR A 41 -8.492 3.500 -7.113 1.00 0.00 C ATOM 713 C TYR A 41 -7.131 3.600 -6.349 1.00 0.00 C ATOM 714 O TYR A 41 -6.854 4.589 -5.660 1.00 0.00 O ATOM 715 CB TYR A 41 -8.490 4.425 -8.364 1.00 0.00 C ATOM 716 CG TYR A 41 -9.469 4.049 -9.488 1.00 0.00 C ATOM 717 CD1 TYR A 41 -10.795 4.494 -9.454 1.00 0.00 C ATOM 718 CD2 TYR A 41 -9.030 3.285 -10.576 1.00 0.00 C ATOM 719 CE1 TYR A 41 -11.673 4.169 -10.486 1.00 0.00 C ATOM 720 CE2 TYR A 41 -9.903 2.984 -11.620 1.00 0.00 C ATOM 721 CZ TYR A 41 -11.225 3.416 -11.569 1.00 0.00 C ATOM 722 OH TYR A 41 -12.092 3.075 -12.572 1.00 0.00 O ATOM 0 H TYR A 41 -10.076 4.761 -6.480 1.00 0.00 H new ATOM 0 HA TYR A 41 -8.601 2.460 -7.419 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -8.715 5.441 -8.039 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -7.482 4.439 -8.778 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -11.140 5.092 -8.624 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -8.011 2.928 -10.606 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -12.700 4.501 -10.446 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -9.553 2.415 -12.469 1.00 0.00 H new ATOM 0 HH TYR A 41 -11.617 2.551 -13.250 1.00 0.00 H new ATOM 732 N LEU A 42 -6.289 2.564 -6.491 1.00 0.00 N ATOM 733 CA LEU A 42 -4.967 2.492 -5.818 1.00 0.00 C ATOM 734 C LEU A 42 -3.859 3.035 -6.772 1.00 0.00 C ATOM 735 O LEU A 42 -3.421 2.366 -7.716 1.00 0.00 O ATOM 736 CB LEU A 42 -4.745 1.019 -5.368 1.00 0.00 C ATOM 737 CG LEU A 42 -5.375 0.569 -4.022 1.00 0.00 C ATOM 738 CD1 LEU A 42 -5.068 -0.922 -3.789 1.00 0.00 C ATOM 739 CD2 LEU A 42 -4.889 1.368 -2.795 1.00 0.00 C ATOM 0 H LEU A 42 -6.497 1.752 -7.072 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.925 3.122 -4.930 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.131 0.368 -6.152 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.671 0.845 -5.309 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.445 0.756 -4.115 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.509 -1.241 -2.845 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.489 -1.512 -4.603 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.989 -1.070 -3.754 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.378 0.989 -1.897 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.809 1.258 -2.694 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.136 2.422 -2.926 1.00 0.00 H new ATOM 751 N PHE A 43 -3.423 4.274 -6.504 1.00 0.00 N ATOM 752 CA PHE A 43 -2.367 4.968 -7.284 1.00 0.00 C ATOM 753 C PHE A 43 -0.973 4.650 -6.676 1.00 0.00 C ATOM 754 O PHE A 43 -0.738 4.883 -5.488 1.00 0.00 O ATOM 755 CB PHE A 43 -2.625 6.503 -7.231 1.00 0.00 C ATOM 756 CG PHE A 43 -3.743 7.059 -8.126 1.00 0.00 C ATOM 757 CD1 PHE A 43 -5.082 6.921 -7.747 1.00 0.00 C ATOM 758 CD2 PHE A 43 -3.433 7.737 -9.311 1.00 0.00 C ATOM 759 CE1 PHE A 43 -6.093 7.443 -8.547 1.00 0.00 C ATOM 760 CE2 PHE A 43 -4.450 8.270 -10.099 1.00 0.00 C ATOM 761 CZ PHE A 43 -5.778 8.135 -9.711 1.00 0.00 C ATOM 0 H PHE A 43 -3.791 4.834 -5.735 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.389 4.627 -8.319 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.853 6.772 -6.200 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.697 7.011 -7.495 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -5.332 6.408 -6.830 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.402 7.847 -9.615 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.126 7.310 -8.263 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.206 8.790 -11.014 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.564 8.567 -10.313 1.00 0.00 H new ATOM 771 N HIS A 44 -0.012 4.175 -7.483 1.00 0.00 N ATOM 772 CA HIS A 44 1.390 3.995 -7.010 1.00 0.00 C ATOM 773 C HIS A 44 2.091 5.371 -6.716 1.00 0.00 C ATOM 774 O HIS A 44 1.888 6.351 -7.444 1.00 0.00 O ATOM 775 CB HIS A 44 2.132 3.138 -8.076 1.00 0.00 C ATOM 776 CG HIS A 44 3.447 2.514 -7.603 1.00 0.00 C ATOM 777 ND1 HIS A 44 4.621 3.217 -7.417 1.00 0.00 N ATOM 778 CD2 HIS A 44 3.651 1.165 -7.270 1.00 0.00 C ATOM 779 CE1 HIS A 44 5.433 2.221 -6.953 1.00 0.00 C ATOM 780 NE2 HIS A 44 4.951 0.944 -6.836 1.00 0.00 N ATOM 0 H HIS A 44 -0.166 3.909 -8.456 1.00 0.00 H new ATOM 0 HA HIS A 44 1.411 3.473 -6.054 1.00 0.00 H new ATOM 0 HB2 HIS A 44 1.467 2.340 -8.406 1.00 0.00 H new ATOM 0 HB3 HIS A 44 2.336 3.763 -8.945 1.00 0.00 H new ATOM 0 HD2 HIS A 44 2.894 0.398 -7.342 1.00 0.00 H new ATOM 0 HE1 HIS A 44 6.454 2.440 -6.679 1.00 0.00 H new ATOM 0 HE2 HIS A 44 5.410 0.088 -6.524 1.00 0.00 H new ATOM 788 N GLU A 45 2.940 5.438 -5.669 1.00 0.00 N ATOM 789 CA GLU A 45 3.750 6.659 -5.354 1.00 0.00 C ATOM 790 C GLU A 45 4.930 6.865 -6.374 1.00 0.00 C ATOM 791 O GLU A 45 6.092 6.544 -6.119 1.00 0.00 O ATOM 792 CB GLU A 45 4.205 6.595 -3.867 1.00 0.00 C ATOM 793 CG GLU A 45 3.065 6.826 -2.837 1.00 0.00 C ATOM 794 CD GLU A 45 3.462 6.809 -1.362 1.00 0.00 C ATOM 795 OE1 GLU A 45 4.408 7.749 -1.068 1.00 0.00 O ATOM 796 OE2 GLU A 45 2.956 6.056 -0.538 1.00 0.00 O ATOM 0 H GLU A 45 3.090 4.666 -5.020 1.00 0.00 H new ATOM 0 HA GLU A 45 3.133 7.550 -5.473 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.656 5.621 -3.679 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.982 7.342 -3.705 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.600 7.788 -3.054 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.304 6.061 -2.994 1.00 0.00 H new ATOM 803 N SER A 46 4.549 7.370 -7.557 1.00 0.00 N ATOM 804 CA SER A 46 5.315 7.316 -8.843 1.00 0.00 C ATOM 805 C SER A 46 4.396 7.750 -10.046 1.00 0.00 C ATOM 806 O SER A 46 4.861 8.481 -10.922 1.00 0.00 O ATOM 807 CB SER A 46 5.984 5.952 -9.172 1.00 0.00 C ATOM 808 OG SER A 46 6.838 6.070 -10.310 1.00 0.00 O ATOM 0 H SER A 46 3.657 7.854 -7.664 1.00 0.00 H new ATOM 0 HA SER A 46 6.138 8.016 -8.698 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.560 5.607 -8.313 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.217 5.202 -9.363 1.00 0.00 H new ATOM 0 HG SER A 46 7.251 5.202 -10.500 1.00 0.00 H new ATOM 814 N ALA A 47 3.111 7.310 -10.104 1.00 0.00 N ATOM 815 CA ALA A 47 2.141 7.706 -11.156 1.00 0.00 C ATOM 816 C ALA A 47 1.861 9.239 -11.252 1.00 0.00 C ATOM 817 O ALA A 47 1.416 9.867 -10.287 1.00 0.00 O ATOM 818 CB ALA A 47 0.860 6.895 -10.880 1.00 0.00 C ATOM 0 H ALA A 47 2.718 6.667 -9.417 1.00 0.00 H new ATOM 0 HA ALA A 47 2.564 7.482 -12.135 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.104 7.144 -11.625 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.085 5.830 -10.933 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.483 7.137 -9.886 1.00 0.00 H new ATOM 824 N VAL A 48 2.162 9.833 -12.418 1.00 0.00 N ATOM 825 CA VAL A 48 2.103 11.314 -12.626 1.00 0.00 C ATOM 826 C VAL A 48 1.366 11.655 -13.960 1.00 0.00 C ATOM 827 O VAL A 48 1.428 10.915 -14.949 1.00 0.00 O ATOM 828 CB VAL A 48 3.509 12.014 -12.538 1.00 0.00 C ATOM 829 CG1 VAL A 48 4.069 12.062 -11.100 1.00 0.00 C ATOM 830 CG2 VAL A 48 4.594 11.454 -13.488 1.00 0.00 C ATOM 0 H VAL A 48 2.453 9.316 -13.247 1.00 0.00 H new ATOM 0 HA VAL A 48 1.524 11.723 -11.798 1.00 0.00 H new ATOM 0 HB VAL A 48 3.287 13.025 -12.879 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.040 12.556 -11.104 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.382 12.617 -10.460 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.180 11.047 -10.719 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.523 12.007 -13.346 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.762 10.400 -13.267 1.00 0.00 H new ATOM 0 HG23 VAL A 48 4.263 11.560 -14.521 1.00 0.00 H new ATOM 840 N LYS A 49 0.678 12.812 -13.993 1.00 0.00 N ATOM 841 CA LYS A 49 0.029 13.336 -15.226 1.00 0.00 C ATOM 842 C LYS A 49 1.032 13.692 -16.370 1.00 0.00 C ATOM 843 O LYS A 49 1.938 14.512 -16.183 1.00 0.00 O ATOM 844 CB LYS A 49 -0.937 14.502 -14.874 1.00 0.00 C ATOM 845 CG LYS A 49 -0.385 15.825 -14.275 1.00 0.00 C ATOM 846 CD LYS A 49 -0.135 15.803 -12.748 1.00 0.00 C ATOM 847 CE LYS A 49 -0.068 17.206 -12.107 1.00 0.00 C ATOM 848 NZ LYS A 49 1.320 17.588 -11.780 1.00 0.00 N ATOM 0 H LYS A 49 0.553 13.411 -13.177 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.564 12.523 -15.645 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.476 14.761 -15.786 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.671 14.111 -14.170 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.551 16.070 -14.777 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.087 16.628 -14.501 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.929 15.232 -12.267 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.800 15.278 -12.550 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.497 17.940 -12.790 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.674 17.222 -11.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.327 18.536 -11.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.720 16.901 -11.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.892 17.597 -12.649 1.00 0.00 H new ATOM 861 N VAL A 50 0.865 13.080 -17.562 1.00 0.00 N ATOM 862 CA VAL A 50 1.786 13.310 -18.717 1.00 0.00 C ATOM 863 C VAL A 50 1.490 14.701 -19.379 1.00 0.00 C ATOM 864 O VAL A 50 0.589 14.879 -20.212 1.00 0.00 O ATOM 865 CB VAL A 50 1.889 12.096 -19.708 1.00 0.00 C ATOM 866 CG1 VAL A 50 2.425 10.816 -19.024 1.00 0.00 C ATOM 867 CG2 VAL A 50 0.612 11.730 -20.494 1.00 0.00 C ATOM 0 H VAL A 50 0.108 12.425 -17.758 1.00 0.00 H new ATOM 0 HA VAL A 50 2.804 13.365 -18.331 1.00 0.00 H new ATOM 0 HB VAL A 50 2.600 12.475 -20.442 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.476 10.008 -19.754 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.421 11.007 -18.624 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.756 10.530 -18.212 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.815 10.877 -21.142 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.184 11.474 -19.795 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.302 12.581 -21.101 1.00 0.00 H new ATOM 877 N ASP A 51 2.255 15.709 -18.928 1.00 0.00 N ATOM 878 CA ASP A 51 2.071 17.125 -19.320 1.00 0.00 C ATOM 879 C ASP A 51 2.742 17.394 -20.703 1.00 0.00 C ATOM 880 O ASP A 51 3.957 17.603 -20.773 1.00 0.00 O ATOM 881 CB ASP A 51 2.660 17.956 -18.145 1.00 0.00 C ATOM 882 CG ASP A 51 2.524 19.469 -18.285 1.00 0.00 C ATOM 883 OD1 ASP A 51 3.421 19.980 -19.180 1.00 0.00 O ATOM 884 OD2 ASP A 51 1.701 20.135 -17.663 1.00 0.00 O ATOM 0 H ASP A 51 3.026 15.568 -18.276 1.00 0.00 H new ATOM 0 HA ASP A 51 1.028 17.404 -19.470 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.170 17.647 -17.222 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.717 17.711 -18.042 1.00 0.00 H new ATOM 889 N LEU A 52 1.931 17.427 -21.776 1.00 0.00 N ATOM 890 CA LEU A 52 2.425 17.586 -23.175 1.00 0.00 C ATOM 891 C LEU A 52 3.036 19.003 -23.464 1.00 0.00 C ATOM 892 O LEU A 52 2.365 19.926 -23.935 1.00 0.00 O ATOM 893 CB LEU A 52 1.247 17.229 -24.129 1.00 0.00 C ATOM 894 CG LEU A 52 1.624 17.079 -25.633 1.00 0.00 C ATOM 895 CD1 LEU A 52 1.902 15.614 -26.012 1.00 0.00 C ATOM 896 CD2 LEU A 52 0.528 17.653 -26.545 1.00 0.00 C ATOM 0 H LEU A 52 0.917 17.345 -21.709 1.00 0.00 H new ATOM 0 HA LEU A 52 3.261 16.907 -23.344 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.798 16.295 -23.790 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.483 18.001 -24.039 1.00 0.00 H new ATOM 0 HG LEU A 52 2.540 17.650 -25.782 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.161 15.555 -27.069 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.730 15.234 -25.414 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.012 15.014 -25.822 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.822 17.533 -27.588 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.407 17.122 -26.368 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.391 18.712 -26.327 1.00 0.00 H new ATOM 908 N ASN A 53 4.338 19.128 -23.186 1.00 0.00 N ATOM 909 CA ASN A 53 5.122 20.364 -23.414 1.00 0.00 C ATOM 910 C ASN A 53 6.391 19.962 -24.225 1.00 0.00 C ATOM 911 O ASN A 53 7.219 19.177 -23.748 1.00 0.00 O ATOM 912 CB ASN A 53 5.435 20.978 -22.021 1.00 0.00 C ATOM 913 CG ASN A 53 6.129 22.342 -22.066 1.00 0.00 C ATOM 914 OD1 ASN A 53 5.510 23.372 -22.301 1.00 0.00 O ATOM 915 ND2 ASN A 53 7.423 22.396 -21.863 1.00 0.00 N ATOM 0 H ASN A 53 4.892 18.368 -22.791 1.00 0.00 H new ATOM 0 HA ASN A 53 4.593 21.123 -23.991 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.503 21.078 -21.465 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.065 20.283 -21.466 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.908 23.292 -21.901 1.00 0.00 H new ATOM 0 HD22 ASN A 53 7.945 21.542 -21.667 1.00 0.00 H new ATOM 922 N ARG A 54 6.563 20.519 -25.437 1.00 0.00 N ATOM 923 CA ARG A 54 7.811 20.313 -26.227 1.00 0.00 C ATOM 924 C ARG A 54 9.084 20.969 -25.564 1.00 0.00 C ATOM 925 O ARG A 54 8.945 22.040 -24.960 1.00 0.00 O ATOM 926 CB ARG A 54 7.634 20.868 -27.669 1.00 0.00 C ATOM 927 CG ARG A 54 6.686 20.083 -28.608 1.00 0.00 C ATOM 928 CD ARG A 54 6.916 20.467 -30.084 1.00 0.00 C ATOM 929 NE ARG A 54 5.948 19.784 -30.989 1.00 0.00 N ATOM 930 CZ ARG A 54 4.861 20.340 -31.530 1.00 0.00 C ATOM 931 NH1 ARG A 54 4.436 21.544 -31.234 1.00 0.00 N ATOM 932 NH2 ARG A 54 4.181 19.648 -32.398 1.00 0.00 N ATOM 0 H ARG A 54 5.869 21.110 -25.895 1.00 0.00 H new ATOM 0 HA ARG A 54 7.981 19.237 -26.254 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.268 21.892 -27.596 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.617 20.913 -28.139 1.00 0.00 H new ATOM 0 HG2 ARG A 54 6.847 19.013 -28.479 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.650 20.285 -28.334 1.00 0.00 H new ATOM 0 HD2 ARG A 54 6.821 21.547 -30.198 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.933 20.204 -30.374 1.00 0.00 H new ATOM 0 HE ARG A 54 6.132 18.806 -31.215 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.944 22.112 -30.556 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.597 21.913 -31.682 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.483 18.706 -32.649 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.346 20.047 -32.827 1.00 0.00 H new ATOM 946 N PRO A 55 10.331 20.420 -25.685 1.00 0.00 N ATOM 947 CA PRO A 55 11.549 21.068 -25.115 1.00 0.00 C ATOM 948 C PRO A 55 11.934 22.472 -25.687 1.00 0.00 C ATOM 949 O PRO A 55 12.216 23.379 -24.902 1.00 0.00 O ATOM 950 CB PRO A 55 12.620 19.971 -25.302 1.00 0.00 C ATOM 951 CG PRO A 55 12.132 19.120 -26.478 1.00 0.00 C ATOM 952 CD PRO A 55 10.610 19.126 -26.342 1.00 0.00 C ATOM 0 HA PRO A 55 11.401 21.363 -24.076 1.00 0.00 H new ATOM 0 HB2 PRO A 55 13.597 20.407 -25.512 1.00 0.00 H new ATOM 0 HB3 PRO A 55 12.727 19.369 -24.400 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.448 19.542 -27.432 1.00 0.00 H new ATOM 0 HG3 PRO A 55 12.532 18.107 -26.429 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.119 19.054 -27.313 1.00 0.00 H new ATOM 0 HD3 PRO A 55 10.257 18.287 -25.743 1.00 0.00 H new ATOM 960 N VAL A 56 11.931 22.651 -27.026 1.00 0.00 N ATOM 961 CA VAL A 56 12.104 23.982 -27.701 1.00 0.00 C ATOM 962 C VAL A 56 13.482 24.655 -27.349 1.00 0.00 C ATOM 963 O VAL A 56 13.553 25.647 -26.615 1.00 0.00 O ATOM 964 CB VAL A 56 10.838 24.911 -27.566 1.00 0.00 C ATOM 965 CG1 VAL A 56 10.927 26.187 -28.435 1.00 0.00 C ATOM 966 CG2 VAL A 56 9.490 24.239 -27.925 1.00 0.00 C ATOM 0 H VAL A 56 11.809 21.881 -27.683 1.00 0.00 H new ATOM 0 HA VAL A 56 12.164 23.797 -28.773 1.00 0.00 H new ATOM 0 HB VAL A 56 10.850 25.151 -26.503 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.026 26.784 -28.298 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.798 26.771 -28.136 1.00 0.00 H new ATOM 0 HG13 VAL A 56 11.020 25.907 -29.484 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.680 24.958 -27.801 1.00 0.00 H new ATOM 0 HG22 VAL A 56 9.517 23.899 -28.960 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.322 23.386 -27.267 1.00 0.00 H new ATOM 976 N THR A 57 14.589 24.087 -27.859 1.00 0.00 N ATOM 977 CA THR A 57 15.961 24.441 -27.393 1.00 0.00 C ATOM 978 C THR A 57 16.514 25.681 -28.164 1.00 0.00 C ATOM 979 O THR A 57 17.066 25.539 -29.263 1.00 0.00 O ATOM 980 CB THR A 57 16.921 23.214 -27.506 1.00 0.00 C ATOM 981 OG1 THR A 57 17.049 22.804 -28.865 1.00 0.00 O ATOM 982 CG2 THR A 57 16.531 21.981 -26.671 1.00 0.00 C ATOM 0 H THR A 57 14.571 23.380 -28.594 1.00 0.00 H new ATOM 0 HA THR A 57 15.902 24.715 -26.340 1.00 0.00 H new ATOM 0 HB THR A 57 17.862 23.581 -27.096 1.00 0.00 H new ATOM 0 HG1 THR A 57 17.095 23.595 -29.442 1.00 0.00 H new ATOM 0 HG21 THR A 57 17.265 21.190 -26.825 1.00 0.00 H new ATOM 0 HG22 THR A 57 16.504 22.250 -25.615 1.00 0.00 H new ATOM 0 HG23 THR A 57 15.547 21.628 -26.981 1.00 0.00 H new ATOM 990 N GLY A 58 16.371 26.885 -27.580 1.00 0.00 N ATOM 991 CA GLY A 58 16.791 28.154 -28.239 1.00 0.00 C ATOM 992 C GLY A 58 18.304 28.470 -28.219 1.00 0.00 C ATOM 993 O GLY A 58 18.759 29.336 -27.468 1.00 0.00 O ATOM 0 H GLY A 58 15.968 27.015 -26.652 1.00 0.00 H new ATOM 0 HA2 GLY A 58 16.462 28.125 -29.278 1.00 0.00 H new ATOM 0 HA3 GLY A 58 16.263 28.979 -27.760 1.00 0.00 H new ATOM 997 N SER A 59 19.068 27.785 -29.081 1.00 0.00 N ATOM 998 CA SER A 59 20.550 27.910 -29.132 1.00 0.00 C ATOM 999 C SER A 59 21.033 29.037 -30.103 1.00 0.00 C ATOM 1000 O SER A 59 21.403 28.772 -31.252 1.00 0.00 O ATOM 1001 CB SER A 59 21.090 26.507 -29.499 1.00 0.00 C ATOM 1002 OG SER A 59 22.511 26.528 -29.629 1.00 0.00 O ATOM 0 H SER A 59 18.688 27.129 -29.764 1.00 0.00 H new ATOM 0 HA SER A 59 20.946 28.226 -28.167 1.00 0.00 H new ATOM 0 HB2 SER A 59 20.801 25.789 -28.731 1.00 0.00 H new ATOM 0 HB3 SER A 59 20.640 26.172 -30.434 1.00 0.00 H new ATOM 0 HG SER A 59 22.832 25.631 -29.860 1.00 0.00 H new ATOM 1008 N LEU A 60 21.074 30.293 -29.620 1.00 0.00 N ATOM 1009 CA LEU A 60 21.489 31.460 -30.451 1.00 0.00 C ATOM 1010 C LEU A 60 23.034 31.699 -30.365 1.00 0.00 C ATOM 1011 O LEU A 60 23.558 32.113 -29.326 1.00 0.00 O ATOM 1012 CB LEU A 60 20.654 32.707 -30.026 1.00 0.00 C ATOM 1013 CG LEU A 60 20.355 33.789 -31.101 1.00 0.00 C ATOM 1014 CD1 LEU A 60 21.597 34.384 -31.788 1.00 0.00 C ATOM 1015 CD2 LEU A 60 19.342 33.304 -32.154 1.00 0.00 C ATOM 0 H LEU A 60 20.827 30.535 -28.660 1.00 0.00 H new ATOM 0 HA LEU A 60 21.283 31.258 -31.502 1.00 0.00 H new ATOM 0 HB2 LEU A 60 19.700 32.352 -29.636 1.00 0.00 H new ATOM 0 HB3 LEU A 60 21.175 33.192 -29.201 1.00 0.00 H new ATOM 0 HG LEU A 60 19.910 34.603 -30.529 1.00 0.00 H new ATOM 0 HD11 LEU A 60 21.286 35.129 -32.521 1.00 0.00 H new ATOM 0 HD12 LEU A 60 22.236 34.855 -31.041 1.00 0.00 H new ATOM 0 HD13 LEU A 60 22.150 33.590 -32.290 1.00 0.00 H new ATOM 0 HD21 LEU A 60 19.167 34.096 -32.882 1.00 0.00 H new ATOM 0 HD22 LEU A 60 19.738 32.425 -32.662 1.00 0.00 H new ATOM 0 HD23 LEU A 60 18.403 33.047 -31.664 1.00 0.00 H new ATOM 1027 N LEU A 61 23.756 31.442 -31.470 1.00 0.00 N ATOM 1028 CA LEU A 61 25.231 31.657 -31.553 1.00 0.00 C ATOM 1029 C LEU A 61 25.588 32.138 -32.994 1.00 0.00 C ATOM 1030 O LEU A 61 25.465 31.378 -33.960 1.00 0.00 O ATOM 1031 CB LEU A 61 25.968 30.355 -31.109 1.00 0.00 C ATOM 1032 CG LEU A 61 27.503 30.454 -30.869 1.00 0.00 C ATOM 1033 CD1 LEU A 61 27.970 29.346 -29.907 1.00 0.00 C ATOM 1034 CD2 LEU A 61 28.333 30.351 -32.164 1.00 0.00 C ATOM 0 H LEU A 61 23.346 31.081 -32.332 1.00 0.00 H new ATOM 0 HA LEU A 61 25.566 32.439 -30.872 1.00 0.00 H new ATOM 0 HB2 LEU A 61 25.504 30.001 -30.188 1.00 0.00 H new ATOM 0 HB3 LEU A 61 25.793 29.592 -31.868 1.00 0.00 H new ATOM 0 HG LEU A 61 27.671 31.442 -30.440 1.00 0.00 H new ATOM 0 HD11 LEU A 61 29.045 29.430 -29.750 1.00 0.00 H new ATOM 0 HD12 LEU A 61 27.455 29.452 -28.952 1.00 0.00 H new ATOM 0 HD13 LEU A 61 27.741 28.371 -30.337 1.00 0.00 H new ATOM 0 HD21 LEU A 61 29.393 30.428 -31.924 1.00 0.00 H new ATOM 0 HD22 LEU A 61 28.138 29.393 -32.646 1.00 0.00 H new ATOM 0 HD23 LEU A 61 28.055 31.160 -32.840 1.00 0.00 H new ATOM 1046 N LYS A 62 26.052 33.394 -33.132 1.00 0.00 N ATOM 1047 CA LYS A 62 26.494 33.966 -34.436 1.00 0.00 C ATOM 1048 C LYS A 62 28.033 34.251 -34.415 1.00 0.00 C ATOM 1049 O LYS A 62 28.531 35.001 -33.569 1.00 0.00 O ATOM 1050 CB LYS A 62 25.614 35.214 -34.724 1.00 0.00 C ATOM 1051 CG LYS A 62 25.909 35.932 -36.065 1.00 0.00 C ATOM 1052 CD LYS A 62 24.800 36.904 -36.521 1.00 0.00 C ATOM 1053 CE LYS A 62 23.644 36.201 -37.255 1.00 0.00 C ATOM 1054 NZ LYS A 62 22.639 37.191 -37.691 1.00 0.00 N ATOM 0 H LYS A 62 26.134 34.046 -32.352 1.00 0.00 H new ATOM 0 HA LYS A 62 26.353 33.263 -35.257 1.00 0.00 H new ATOM 0 HB2 LYS A 62 24.567 34.911 -34.715 1.00 0.00 H new ATOM 0 HB3 LYS A 62 25.746 35.928 -33.911 1.00 0.00 H new ATOM 0 HG2 LYS A 62 26.844 36.484 -35.970 1.00 0.00 H new ATOM 0 HG3 LYS A 62 26.060 35.181 -36.841 1.00 0.00 H new ATOM 0 HD2 LYS A 62 24.404 37.428 -35.651 1.00 0.00 H new ATOM 0 HD3 LYS A 62 25.234 37.658 -37.178 1.00 0.00 H new ATOM 0 HE2 LYS A 62 24.029 35.658 -38.118 1.00 0.00 H new ATOM 0 HE3 LYS A 62 23.180 35.466 -36.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 21.864 36.704 -38.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 22.261 37.690 -36.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 23.083 37.876 -38.335 1.00 0.00 H new ATOM 1067 N ARG A 63 28.779 33.661 -35.367 1.00 0.00 N ATOM 1068 CA ARG A 63 30.244 33.903 -35.518 1.00 0.00 C ATOM 1069 C ARG A 63 30.565 35.156 -36.401 1.00 0.00 C ATOM 1070 O ARG A 63 29.900 35.416 -37.409 1.00 0.00 O ATOM 1071 CB ARG A 63 30.913 32.646 -36.144 1.00 0.00 C ATOM 1072 CG ARG A 63 30.972 31.384 -35.249 1.00 0.00 C ATOM 1073 CD ARG A 63 31.775 30.257 -35.923 1.00 0.00 C ATOM 1074 NE ARG A 63 31.822 29.059 -35.043 1.00 0.00 N ATOM 1075 CZ ARG A 63 32.501 27.940 -35.305 1.00 0.00 C ATOM 1076 NH1 ARG A 63 33.220 27.764 -36.388 1.00 0.00 N ATOM 1077 NH2 ARG A 63 32.449 26.969 -34.441 1.00 0.00 N ATOM 0 H ARG A 63 28.398 33.008 -36.052 1.00 0.00 H new ATOM 0 HA ARG A 63 30.643 34.099 -34.523 1.00 0.00 H new ATOM 0 HB2 ARG A 63 30.377 32.392 -37.058 1.00 0.00 H new ATOM 0 HB3 ARG A 63 31.931 32.908 -36.434 1.00 0.00 H new ATOM 0 HG2 ARG A 63 31.428 31.636 -34.291 1.00 0.00 H new ATOM 0 HG3 ARG A 63 29.960 31.037 -35.039 1.00 0.00 H new ATOM 0 HD2 ARG A 63 31.319 29.997 -36.878 1.00 0.00 H new ATOM 0 HD3 ARG A 63 32.787 30.600 -36.136 1.00 0.00 H new ATOM 0 HE ARG A 63 31.294 29.095 -34.171 1.00 0.00 H new ATOM 0 HH11 ARG A 63 33.282 28.506 -37.085 1.00 0.00 H new ATOM 0 HH12 ARG A 63 33.717 26.885 -36.533 1.00 0.00 H new ATOM 0 HH21 ARG A 63 31.899 27.074 -33.588 1.00 0.00 H new ATOM 0 HH22 ARG A 63 32.958 26.103 -34.616 1.00 0.00 H new ATOM 1091 N ILE A 64 31.640 35.886 -36.049 1.00 0.00 N ATOM 1092 CA ILE A 64 32.176 37.014 -36.879 1.00 0.00 C ATOM 1093 C ILE A 64 33.447 36.577 -37.688 1.00 0.00 C ATOM 1094 O ILE A 64 34.250 35.747 -37.247 1.00 0.00 O ATOM 1095 CB ILE A 64 32.372 38.336 -36.045 1.00 0.00 C ATOM 1096 CG1 ILE A 64 33.410 38.296 -34.880 1.00 0.00 C ATOM 1097 CG2 ILE A 64 31.020 38.887 -35.523 1.00 0.00 C ATOM 1098 CD1 ILE A 64 34.864 38.587 -35.297 1.00 0.00 C ATOM 0 H ILE A 64 32.167 35.723 -35.191 1.00 0.00 H new ATOM 0 HA ILE A 64 31.419 37.265 -37.622 1.00 0.00 H new ATOM 0 HB ILE A 64 32.811 39.011 -36.779 1.00 0.00 H new ATOM 0 HG12 ILE A 64 33.112 39.021 -34.123 1.00 0.00 H new ATOM 0 HG13 ILE A 64 33.371 37.312 -34.412 1.00 0.00 H new ATOM 0 HG21 ILE A 64 31.195 39.799 -34.952 1.00 0.00 H new ATOM 0 HG22 ILE A 64 30.366 39.107 -36.367 1.00 0.00 H new ATOM 0 HG23 ILE A 64 30.547 38.143 -34.882 1.00 0.00 H new ATOM 0 HD11 ILE A 64 35.511 38.537 -34.421 1.00 0.00 H new ATOM 0 HD12 ILE A 64 35.187 37.848 -36.030 1.00 0.00 H new ATOM 0 HD13 ILE A 64 34.924 39.583 -35.736 1.00 0.00 H new ATOM 1110 N ARG A 65 33.637 37.168 -38.880 1.00 0.00 N ATOM 1111 CA ARG A 65 34.833 36.921 -39.740 1.00 0.00 C ATOM 1112 C ARG A 65 36.114 37.703 -39.288 1.00 0.00 C ATOM 1113 O ARG A 65 36.054 38.897 -38.974 1.00 0.00 O ATOM 1114 CB ARG A 65 34.448 37.204 -41.224 1.00 0.00 C ATOM 1115 CG ARG A 65 34.050 38.662 -41.588 1.00 0.00 C ATOM 1116 CD ARG A 65 33.575 38.818 -43.042 1.00 0.00 C ATOM 1117 NE ARG A 65 33.040 40.196 -43.223 1.00 0.00 N ATOM 1118 CZ ARG A 65 32.347 40.625 -44.277 1.00 0.00 C ATOM 1119 NH1 ARG A 65 32.138 39.903 -45.350 1.00 0.00 N ATOM 1120 NH2 ARG A 65 31.850 41.828 -44.239 1.00 0.00 N ATOM 0 H ARG A 65 32.975 37.830 -39.284 1.00 0.00 H new ATOM 0 HA ARG A 65 35.118 35.875 -39.631 1.00 0.00 H new ATOM 0 HB2 ARG A 65 35.291 36.917 -41.853 1.00 0.00 H new ATOM 0 HB3 ARG A 65 33.616 36.551 -41.488 1.00 0.00 H new ATOM 0 HG2 ARG A 65 33.258 38.993 -40.917 1.00 0.00 H new ATOM 0 HG3 ARG A 65 34.905 39.317 -41.420 1.00 0.00 H new ATOM 0 HD2 ARG A 65 34.401 38.640 -43.731 1.00 0.00 H new ATOM 0 HD3 ARG A 65 32.805 38.081 -43.269 1.00 0.00 H new ATOM 0 HE ARG A 65 33.219 40.868 -42.477 1.00 0.00 H new ATOM 0 HH11 ARG A 65 32.515 38.957 -45.409 1.00 0.00 H new ATOM 0 HH12 ARG A 65 31.599 40.287 -46.126 1.00 0.00 H new ATOM 0 HH21 ARG A 65 31.996 42.414 -43.417 1.00 0.00 H new ATOM 0 HH22 ARG A 65 31.315 42.184 -45.031 1.00 0.00 H new ATOM 1134 N ASN A 66 37.280 37.032 -39.290 1.00 0.00 N ATOM 1135 CA ASN A 66 38.585 37.651 -38.921 1.00 0.00 C ATOM 1136 C ASN A 66 39.314 38.324 -40.137 1.00 0.00 C ATOM 1137 O ASN A 66 39.505 37.702 -41.186 1.00 0.00 O ATOM 1138 CB ASN A 66 39.461 36.598 -38.179 1.00 0.00 C ATOM 1139 CG ASN A 66 39.891 35.331 -38.945 1.00 0.00 C ATOM 1140 OD1 ASN A 66 39.088 34.629 -39.551 1.00 0.00 O ATOM 1141 ND2 ASN A 66 41.152 34.970 -38.913 1.00 0.00 N ATOM 0 H ASN A 66 37.354 36.047 -39.545 1.00 0.00 H new ATOM 0 HA ASN A 66 38.396 38.479 -38.238 1.00 0.00 H new ATOM 0 HB2 ASN A 66 40.365 37.101 -37.835 1.00 0.00 H new ATOM 0 HB3 ASN A 66 38.916 36.280 -37.290 1.00 0.00 H new ATOM 0 HD21 ASN A 66 41.451 34.118 -39.387 1.00 0.00 H new ATOM 0 HD22 ASN A 66 41.834 35.542 -38.414 1.00 0.00 H new ATOM 1148 N GLY A 67 39.734 39.593 -39.978 1.00 0.00 N ATOM 1149 CA GLY A 67 40.463 40.349 -41.036 1.00 0.00 C ATOM 1150 C GLY A 67 41.928 40.664 -40.665 1.00 0.00 C ATOM 1151 O GLY A 67 42.173 41.344 -39.667 1.00 0.00 O ATOM 0 H GLY A 67 39.583 40.128 -39.122 1.00 0.00 H new ATOM 0 HA2 GLY A 67 40.446 39.773 -41.961 1.00 0.00 H new ATOM 0 HA3 GLY A 67 39.937 41.283 -41.233 1.00 0.00 H new ATOM 1155 N LYS A 68 42.893 40.193 -41.474 1.00 0.00 N ATOM 1156 CA LYS A 68 44.350 40.384 -41.200 1.00 0.00 C ATOM 1157 C LYS A 68 45.090 40.902 -42.477 1.00 0.00 C ATOM 1158 O LYS A 68 44.960 40.326 -43.563 1.00 0.00 O ATOM 1159 CB LYS A 68 44.946 39.048 -40.655 1.00 0.00 C ATOM 1160 CG LYS A 68 46.040 39.191 -39.567 1.00 0.00 C ATOM 1161 CD LYS A 68 47.442 39.673 -40.013 1.00 0.00 C ATOM 1162 CE LYS A 68 48.350 38.607 -40.654 1.00 0.00 C ATOM 1163 NZ LYS A 68 48.090 38.469 -42.100 1.00 0.00 N ATOM 0 H LYS A 68 42.701 39.673 -42.330 1.00 0.00 H new ATOM 0 HA LYS A 68 44.491 41.149 -40.437 1.00 0.00 H new ATOM 0 HB2 LYS A 68 44.132 38.448 -40.248 1.00 0.00 H new ATOM 0 HB3 LYS A 68 45.364 38.490 -41.493 1.00 0.00 H new ATOM 0 HG2 LYS A 68 45.672 39.885 -38.811 1.00 0.00 H new ATOM 0 HG3 LYS A 68 46.158 38.223 -39.081 1.00 0.00 H new ATOM 0 HD2 LYS A 68 47.315 40.489 -40.725 1.00 0.00 H new ATOM 0 HD3 LYS A 68 47.956 40.085 -39.145 1.00 0.00 H new ATOM 0 HE2 LYS A 68 49.395 38.875 -40.496 1.00 0.00 H new ATOM 0 HE3 LYS A 68 48.189 37.648 -40.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 48.908 38.020 -42.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 47.245 37.881 -42.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 47.933 39.409 -42.516 1.00 0.00 H new ATOM 1176 N LYS A 69 45.877 41.986 -42.346 1.00 0.00 N ATOM 1177 CA LYS A 69 46.647 42.575 -43.480 1.00 0.00 C ATOM 1178 C LYS A 69 47.998 41.838 -43.786 1.00 0.00 C ATOM 1179 O LYS A 69 48.699 41.345 -42.898 1.00 0.00 O ATOM 1180 CB LYS A 69 46.865 44.099 -43.210 1.00 0.00 C ATOM 1181 CG LYS A 69 45.818 45.040 -43.856 1.00 0.00 C ATOM 1182 CD LYS A 69 44.423 45.042 -43.189 1.00 0.00 C ATOM 1183 CE LYS A 69 43.290 45.607 -44.066 1.00 0.00 C ATOM 1184 NZ LYS A 69 43.437 47.056 -44.320 1.00 0.00 N ATOM 0 H LYS A 69 46.003 42.481 -41.463 1.00 0.00 H new ATOM 0 HA LYS A 69 46.053 42.440 -44.384 1.00 0.00 H new ATOM 0 HB2 LYS A 69 46.863 44.265 -42.133 1.00 0.00 H new ATOM 0 HB3 LYS A 69 47.854 44.378 -43.573 1.00 0.00 H new ATOM 0 HG2 LYS A 69 46.210 46.057 -43.840 1.00 0.00 H new ATOM 0 HG3 LYS A 69 45.700 44.760 -44.903 1.00 0.00 H new ATOM 0 HD2 LYS A 69 44.169 44.020 -42.906 1.00 0.00 H new ATOM 0 HD3 LYS A 69 44.476 45.624 -42.269 1.00 0.00 H new ATOM 0 HE2 LYS A 69 43.272 45.075 -45.017 1.00 0.00 H new ATOM 0 HE3 LYS A 69 42.332 45.422 -43.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 42.650 47.386 -44.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 43.427 47.570 -43.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 44.338 47.233 -44.809 1.00 0.00 H new ATOM 1197 N ALA A 70 48.360 41.809 -45.078 1.00 0.00 N ATOM 1198 CA ALA A 70 49.663 41.282 -45.564 1.00 0.00 C ATOM 1199 C ALA A 70 50.775 42.376 -45.733 1.00 0.00 C ATOM 1200 O ALA A 70 50.510 43.584 -45.729 1.00 0.00 O ATOM 1201 CB ALA A 70 49.328 40.578 -46.898 1.00 0.00 C ATOM 0 H ALA A 70 47.758 42.151 -45.827 1.00 0.00 H new ATOM 0 HA ALA A 70 50.100 40.604 -44.831 1.00 0.00 H new ATOM 0 HB1 ALA A 70 50.238 40.159 -47.327 1.00 0.00 H new ATOM 0 HB2 ALA A 70 48.610 39.778 -46.717 1.00 0.00 H new ATOM 0 HB3 ALA A 70 48.899 41.300 -47.593 1.00 0.00 H new ATOM 1207 N LYS A 71 52.038 41.941 -45.913 1.00 0.00 N ATOM 1208 CA LYS A 71 53.181 42.860 -46.190 1.00 0.00 C ATOM 1209 C LYS A 71 53.162 43.425 -47.655 1.00 0.00 C ATOM 1210 O LYS A 71 53.067 42.669 -48.627 1.00 0.00 O ATOM 1211 CB LYS A 71 54.493 42.088 -45.874 1.00 0.00 C ATOM 1212 CG LYS A 71 55.784 42.941 -45.943 1.00 0.00 C ATOM 1213 CD LYS A 71 57.067 42.129 -45.666 1.00 0.00 C ATOM 1214 CE LYS A 71 58.372 42.915 -45.899 1.00 0.00 C ATOM 1215 NZ LYS A 71 58.591 43.959 -44.875 1.00 0.00 N ATOM 0 H LYS A 71 52.302 40.957 -45.873 1.00 0.00 H new ATOM 0 HA LYS A 71 53.104 43.741 -45.553 1.00 0.00 H new ATOM 0 HB2 LYS A 71 54.412 41.657 -44.876 1.00 0.00 H new ATOM 0 HB3 LYS A 71 54.586 41.257 -46.573 1.00 0.00 H new ATOM 0 HG2 LYS A 71 55.857 43.398 -46.930 1.00 0.00 H new ATOM 0 HG3 LYS A 71 55.713 43.754 -45.220 1.00 0.00 H new ATOM 0 HD2 LYS A 71 57.046 41.778 -44.634 1.00 0.00 H new ATOM 0 HD3 LYS A 71 57.069 41.245 -46.304 1.00 0.00 H new ATOM 0 HE2 LYS A 71 59.215 42.224 -45.896 1.00 0.00 H new ATOM 0 HE3 LYS A 71 58.343 43.378 -46.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 59.480 44.460 -45.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 57.801 44.635 -44.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 58.646 43.517 -43.935 1.00 0.00 H new ATOM 1228 N SER A 72 53.296 44.756 -47.796 1.00 0.00 N ATOM 1229 CA SER A 72 53.378 45.432 -49.120 1.00 0.00 C ATOM 1230 C SER A 72 54.595 46.389 -49.180 1.00 0.00 C ATOM 1231 O SER A 72 55.415 46.282 -50.093 1.00 0.00 O ATOM 1232 CB SER A 72 52.042 46.158 -49.389 1.00 0.00 C ATOM 1233 OG SER A 72 52.016 46.721 -50.701 1.00 0.00 O ATOM 1234 OXT SER A 72 54.763 47.269 -48.332 1.00 0.00 O ATOM 0 H SER A 72 53.351 45.398 -47.005 1.00 0.00 H new ATOM 0 HA SER A 72 53.535 44.694 -49.907 1.00 0.00 H new ATOM 0 HB2 SER A 72 51.215 45.457 -49.274 1.00 0.00 H new ATOM 0 HB3 SER A 72 51.898 46.946 -48.649 1.00 0.00 H new ATOM 0 HG SER A 72 51.159 47.173 -50.846 1.00 0.00 H new TER 1240 SER A 72