USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 596 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 3 GLN : amide:sc= -0.74 K(o=1.3,f=-20!) USER MOD Set 1.2: B 115 GLN : amide:sc= 0.913 K(o=1.3,f=-22!) USER MOD Set 1.3: B 118 LYS NZ :NH3+ 153:sc= 1.12! (180deg=0) USER MOD Set 2.1: B 114 TYR OH : rot 130:sc= 0.352 USER MOD Set 2.2: B 123 ASN : amide:sc= 1.61 K(o=2,f=-1.2!) USER MOD Set 3.1: A 14 TYR OH : rot 80:sc= -1.57 USER MOD Set 3.2: B 103 GLN : amide:sc= 0.0421 X(o=-1.5,f=-1.6) USER MOD Set 4.1: A 31 THR OG1 : rot 91:sc= -0.394! USER MOD Set 4.2: B 131 THR OG1 : rot -163:sc= 0.195 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 70:sc= -2.41! USER MOD Single : A 8 THR OG1 : rot 50:sc= 0.438 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 116:sc= -2.17! USER MOD Single : A 15 GLN : amide:sc= -1.14 K(o=-1.1,f=-6.4!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.062 USER MOD Single : A 23 ASN : amide:sc= -0.334 X(o=-0.33,f=-0.43) USER MOD Single : A 25 SER OG : rot 180:sc= -0.0979 USER MOD Single : A 29 SER OG : rot -102:sc= -0.704 USER MOD Single : A 30 THR OG1 : rot 74:sc= 0.919 USER MOD Single : A 32 MET CE :methyl -172:sc= -17.6! (180deg=-18.4!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 ASN : amide:sc= 0.341 X(o=0.34,f=-0.093) USER MOD Single : B 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 106 THR OG1 : rot 140:sc= -0.299 USER MOD Single : B 108 THR OG1 : rot 48:sc= 0.194 USER MOD Single : B 111 SER OG : rot 180:sc= 0 USER MOD Single : B 113 SER OG : rot 98:sc= -1.66 USER MOD Single : B 120 TYR OH : rot 180:sc= -0.113 USER MOD Single : B 125 SER OG : rot 180:sc= 0 USER MOD Single : B 129 SER OG : rot -95:sc= 0.136 USER MOD Single : B 130 THR OG1 : rot 61:sc= 1.06 USER MOD Single : B 132 MET CE :methyl 149:sc= -16.8! (180deg=-20.5!) USER MOD Single : B 133 GLN : amide:sc= 0.248! K(o=0.25!,f=-0.28) USER MOD Single : B 134 ASN : amide:sc= -0.0893 K(o=-0.089,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -13.425 -13.156 -18.561 1.00 0.00 N ATOM 21 CA LYS A 2 -13.162 -12.374 -17.347 1.00 0.00 C ATOM 22 C LYS A 2 -11.987 -12.958 -16.554 1.00 0.00 C ATOM 23 O LYS A 2 -11.899 -14.170 -16.347 1.00 0.00 O ATOM 24 CB LYS A 2 -14.415 -12.284 -16.460 1.00 0.00 C ATOM 25 CG LYS A 2 -15.449 -11.279 -16.954 1.00 0.00 C ATOM 26 CD LYS A 2 -14.835 -9.902 -17.175 1.00 0.00 C ATOM 27 CE LYS A 2 -15.630 -8.810 -16.476 1.00 0.00 C ATOM 28 NZ LYS A 2 -16.728 -8.285 -17.340 1.00 0.00 N ATOM 0 HA LYS A 2 -12.894 -11.366 -17.662 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -14.879 -13.269 -16.402 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -14.114 -12.013 -15.448 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -15.887 -11.636 -17.886 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -16.259 -11.204 -16.229 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -13.809 -9.898 -16.806 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -14.790 -9.691 -18.244 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -16.052 -9.203 -15.551 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -14.962 -7.994 -16.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -17.247 -7.543 -16.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -16.324 -7.887 -18.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -17.379 -9.059 -17.582 1.00 0.00 H new ATOM 42 N GLN A 3 -11.080 -12.083 -16.127 1.00 0.00 N ATOM 43 CA GLN A 3 -9.903 -12.499 -15.369 1.00 0.00 C ATOM 44 C GLN A 3 -9.998 -12.076 -13.919 1.00 0.00 C ATOM 45 O GLN A 3 -9.943 -10.891 -13.589 1.00 0.00 O ATOM 46 CB GLN A 3 -8.605 -11.946 -16.000 1.00 0.00 C ATOM 47 CG GLN A 3 -7.454 -11.790 -15.003 1.00 0.00 C ATOM 48 CD GLN A 3 -6.083 -12.014 -15.615 1.00 0.00 C ATOM 49 OE1 GLN A 3 -5.603 -11.216 -16.421 1.00 0.00 O ATOM 50 NE2 GLN A 3 -5.430 -13.094 -15.216 1.00 0.00 N ATOM 0 H GLN A 3 -11.138 -11.078 -16.294 1.00 0.00 H new ATOM 0 HA GLN A 3 -9.869 -13.588 -15.405 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -8.290 -12.612 -16.804 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -8.816 -10.977 -16.453 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -7.491 -10.789 -14.572 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -7.596 -12.495 -14.184 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -5.860 -13.732 -14.547 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -4.496 -13.288 -15.578 1.00 0.00 H new ATOM 59 N ARG A 4 -10.124 -13.064 -13.056 1.00 0.00 N ATOM 60 CA ARG A 4 -10.216 -12.814 -11.641 1.00 0.00 C ATOM 61 C ARG A 4 -8.848 -12.552 -11.041 1.00 0.00 C ATOM 62 O ARG A 4 -8.114 -13.488 -10.717 1.00 0.00 O ATOM 63 CB ARG A 4 -10.853 -14.005 -10.951 1.00 0.00 C ATOM 64 CG ARG A 4 -11.781 -13.620 -9.827 1.00 0.00 C ATOM 65 CD ARG A 4 -12.327 -14.866 -9.155 1.00 0.00 C ATOM 66 NE ARG A 4 -13.531 -15.369 -9.816 1.00 0.00 N ATOM 67 CZ ARG A 4 -14.694 -14.741 -9.822 1.00 0.00 C ATOM 68 NH1 ARG A 4 -14.818 -13.582 -9.220 1.00 0.00 N ATOM 69 NH2 ARG A 4 -15.731 -15.268 -10.435 1.00 0.00 N ATOM 0 H ARG A 4 -10.165 -14.049 -13.316 1.00 0.00 H new ATOM 0 HA ARG A 4 -10.832 -11.927 -11.492 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -11.407 -14.588 -11.687 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -10.068 -14.651 -10.559 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -11.249 -13.008 -9.099 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -12.602 -13.016 -10.213 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -11.562 -15.643 -9.157 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -12.553 -14.645 -8.112 1.00 0.00 H new ATOM 0 HE ARG A 4 -13.469 -16.263 -10.304 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -14.017 -13.165 -8.747 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -15.716 -13.098 -9.225 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -15.641 -16.166 -10.909 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -16.626 -14.778 -10.436 1.00 0.00 H new ATOM 83 N ILE A 5 -8.530 -11.282 -10.833 1.00 0.00 N ATOM 84 CA ILE A 5 -7.278 -10.922 -10.200 1.00 0.00 C ATOM 85 C ILE A 5 -7.596 -10.579 -8.775 1.00 0.00 C ATOM 86 O ILE A 5 -8.557 -9.854 -8.495 1.00 0.00 O ATOM 87 CB ILE A 5 -6.523 -9.766 -10.897 1.00 0.00 C ATOM 88 CG1 ILE A 5 -6.611 -8.447 -10.105 1.00 0.00 C ATOM 89 CG2 ILE A 5 -7.024 -9.603 -12.322 1.00 0.00 C ATOM 90 CD1 ILE A 5 -7.930 -7.715 -10.229 1.00 0.00 C ATOM 0 H ILE A 5 -9.120 -10.492 -11.093 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.594 -11.768 -10.273 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.465 -10.027 -10.929 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.428 -8.660 -9.052 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.812 -7.785 -10.440 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.487 -8.787 -12.805 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -6.855 -10.527 -12.875 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -8.091 -9.378 -12.309 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.895 -6.800 -9.637 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -8.110 -7.464 -11.274 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -8.736 -8.353 -9.865 1.00 0.00 H new ATOM 102 N THR A 6 -6.863 -11.152 -7.866 1.00 0.00 N ATOM 103 CA THR A 6 -7.163 -10.935 -6.484 1.00 0.00 C ATOM 104 C THR A 6 -5.961 -10.460 -5.690 1.00 0.00 C ATOM 105 O THR A 6 -4.873 -11.029 -5.784 1.00 0.00 O ATOM 106 CB THR A 6 -7.788 -12.211 -5.901 1.00 0.00 C ATOM 107 OG1 THR A 6 -7.315 -12.469 -4.597 1.00 0.00 O ATOM 108 CG2 THR A 6 -7.539 -13.462 -6.733 1.00 0.00 C ATOM 0 H THR A 6 -6.067 -11.762 -8.052 1.00 0.00 H new ATOM 0 HA THR A 6 -7.885 -10.122 -6.408 1.00 0.00 H new ATOM 0 HB THR A 6 -8.859 -12.006 -5.899 1.00 0.00 H new ATOM 0 HG1 THR A 6 -7.676 -11.799 -3.980 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.013 -14.318 -6.253 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.959 -13.326 -7.729 1.00 0.00 H new ATOM 0 HG23 THR A 6 -6.466 -13.638 -6.813 1.00 0.00 H new ATOM 116 N VAL A 7 -6.198 -9.431 -4.870 1.00 0.00 N ATOM 117 CA VAL A 7 -5.181 -8.877 -3.993 1.00 0.00 C ATOM 118 C VAL A 7 -5.400 -9.448 -2.591 1.00 0.00 C ATOM 119 O VAL A 7 -6.035 -8.834 -1.751 1.00 0.00 O ATOM 120 CB VAL A 7 -5.185 -7.298 -4.004 1.00 0.00 C ATOM 121 CG1 VAL A 7 -4.968 -6.667 -2.615 1.00 0.00 C ATOM 122 CG2 VAL A 7 -4.136 -6.816 -4.978 1.00 0.00 C ATOM 0 H VAL A 7 -7.102 -8.964 -4.801 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.192 -9.164 -4.351 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.178 -6.976 -4.316 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.983 -5.581 -2.702 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.763 -6.988 -1.941 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.004 -6.985 -2.217 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.129 -5.726 -4.995 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.157 -7.181 -4.668 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.365 -7.193 -5.975 1.00 0.00 H new ATOM 132 N THR A 8 -4.917 -10.658 -2.338 1.00 0.00 N ATOM 133 CA THR A 8 -5.126 -11.273 -1.037 1.00 0.00 C ATOM 134 C THR A 8 -4.334 -10.546 0.039 1.00 0.00 C ATOM 135 O THR A 8 -3.344 -11.059 0.561 1.00 0.00 O ATOM 136 CB THR A 8 -4.772 -12.753 -1.076 1.00 0.00 C ATOM 137 OG1 THR A 8 -3.423 -12.956 -1.441 1.00 0.00 O ATOM 138 CG2 THR A 8 -5.629 -13.534 -2.025 1.00 0.00 C ATOM 0 H THR A 8 -4.388 -11.222 -3.003 1.00 0.00 H new ATOM 0 HA THR A 8 -6.183 -11.189 -0.786 1.00 0.00 H new ATOM 0 HB THR A 8 -4.948 -13.113 -0.062 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.845 -12.392 -0.886 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.329 -14.582 -2.008 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.673 -13.451 -1.724 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.509 -13.138 -3.033 1.00 0.00 H new ATOM 146 N VAL A 9 -4.798 -9.337 0.353 1.00 0.00 N ATOM 147 CA VAL A 9 -4.167 -8.492 1.361 1.00 0.00 C ATOM 148 C VAL A 9 -4.540 -8.959 2.770 1.00 0.00 C ATOM 149 O VAL A 9 -3.944 -9.928 3.234 1.00 0.00 O ATOM 150 CB VAL A 9 -4.479 -6.979 1.169 1.00 0.00 C ATOM 151 CG1 VAL A 9 -3.416 -6.331 0.297 1.00 0.00 C ATOM 152 CG2 VAL A 9 -5.864 -6.740 0.573 1.00 0.00 C ATOM 0 H VAL A 9 -5.619 -8.919 -0.084 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.090 -8.600 1.230 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.470 -6.521 2.158 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.645 -5.273 0.170 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.441 -6.437 0.773 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.399 -6.818 -0.678 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.031 -5.669 0.460 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.929 -7.223 -0.402 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.622 -7.158 1.235 1.00 0.00 H new ATOM 162 N ASP A 10 -5.481 -8.256 3.458 1.00 0.00 N ATOM 163 CA ASP A 10 -5.898 -8.589 4.848 1.00 0.00 C ATOM 164 C ASP A 10 -5.490 -7.478 5.816 1.00 0.00 C ATOM 165 O ASP A 10 -5.536 -7.643 7.035 1.00 0.00 O ATOM 166 CB ASP A 10 -5.236 -9.860 5.324 1.00 0.00 C ATOM 167 CG ASP A 10 -5.931 -10.541 6.492 1.00 0.00 C ATOM 168 OD1 ASP A 10 -7.146 -10.315 6.686 1.00 0.00 O ATOM 169 OD2 ASP A 10 -5.259 -11.328 7.197 1.00 0.00 O ATOM 0 H ASP A 10 -5.968 -7.449 3.068 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.981 -8.708 4.832 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.185 -10.561 4.491 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -4.210 -9.633 5.612 1.00 0.00 H new ATOM 174 N SER A 11 -5.131 -6.342 5.253 1.00 0.00 N ATOM 175 CA SER A 11 -4.740 -5.171 6.043 1.00 0.00 C ATOM 176 C SER A 11 -4.304 -3.964 5.199 1.00 0.00 C ATOM 177 O SER A 11 -4.314 -2.840 5.706 1.00 0.00 O ATOM 178 CB SER A 11 -3.609 -5.532 7.015 1.00 0.00 C ATOM 179 OG SER A 11 -3.743 -4.827 8.242 1.00 0.00 O ATOM 0 H SER A 11 -5.099 -6.195 4.244 1.00 0.00 H new ATOM 0 HA SER A 11 -5.638 -4.875 6.585 1.00 0.00 H new ATOM 0 HB2 SER A 11 -3.618 -6.605 7.206 1.00 0.00 H new ATOM 0 HB3 SER A 11 -2.646 -5.297 6.561 1.00 0.00 H new ATOM 0 HG SER A 11 -3.011 -5.076 8.844 1.00 0.00 H new ATOM 185 N ASP A 12 -3.864 -4.170 3.950 1.00 0.00 N ATOM 186 CA ASP A 12 -3.374 -3.054 3.147 1.00 0.00 C ATOM 187 C ASP A 12 -4.483 -2.098 2.655 1.00 0.00 C ATOM 188 O ASP A 12 -4.596 -1.827 1.467 1.00 0.00 O ATOM 189 CB ASP A 12 -2.545 -3.596 1.977 1.00 0.00 C ATOM 190 CG ASP A 12 -1.405 -4.487 2.437 1.00 0.00 C ATOM 191 OD1 ASP A 12 -1.683 -5.592 2.954 1.00 0.00 O ATOM 192 OD2 ASP A 12 -0.236 -4.080 2.281 1.00 0.00 O ATOM 0 H ASP A 12 -3.839 -5.078 3.487 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.747 -2.444 3.797 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.194 -4.159 1.306 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.141 -2.761 1.404 1.00 0.00 H new ATOM 197 N SER A 13 -5.273 -1.552 3.582 1.00 0.00 N ATOM 198 CA SER A 13 -6.333 -0.579 3.248 1.00 0.00 C ATOM 199 C SER A 13 -7.385 -1.085 2.252 1.00 0.00 C ATOM 200 O SER A 13 -8.308 -0.348 1.913 1.00 0.00 O ATOM 201 CB SER A 13 -5.688 0.681 2.678 1.00 0.00 C ATOM 202 OG SER A 13 -4.946 1.371 3.672 1.00 0.00 O ATOM 0 H SER A 13 -5.203 -1.764 4.577 1.00 0.00 H new ATOM 0 HA SER A 13 -6.865 -0.389 4.180 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.032 0.414 1.850 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.459 1.337 2.275 1.00 0.00 H new ATOM 0 HG SER A 13 -3.997 1.374 3.429 1.00 0.00 H new ATOM 208 N TYR A 14 -7.268 -2.327 1.801 1.00 0.00 N ATOM 209 CA TYR A 14 -8.230 -2.891 0.855 1.00 0.00 C ATOM 210 C TYR A 14 -9.605 -3.081 1.507 1.00 0.00 C ATOM 211 O TYR A 14 -10.635 -2.724 0.929 1.00 0.00 O ATOM 212 CB TYR A 14 -7.735 -4.235 0.343 1.00 0.00 C ATOM 213 CG TYR A 14 -8.774 -5.319 0.459 1.00 0.00 C ATOM 214 CD1 TYR A 14 -9.832 -5.401 -0.433 1.00 0.00 C ATOM 215 CD2 TYR A 14 -8.709 -6.237 1.481 1.00 0.00 C ATOM 216 CE1 TYR A 14 -10.790 -6.383 -0.309 1.00 0.00 C ATOM 217 CE2 TYR A 14 -9.656 -7.215 1.616 1.00 0.00 C ATOM 218 CZ TYR A 14 -10.699 -7.292 0.718 1.00 0.00 C ATOM 219 OH TYR A 14 -11.652 -8.277 0.853 1.00 0.00 O ATOM 0 H TYR A 14 -6.519 -2.964 2.072 1.00 0.00 H new ATOM 0 HA TYR A 14 -8.328 -2.190 0.026 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.436 -4.134 -0.700 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.846 -4.528 0.902 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.906 -4.684 -1.237 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -7.896 -6.185 2.190 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.607 -6.438 -1.014 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -9.586 -7.926 2.426 1.00 0.00 H new ATOM 0 HH TYR A 14 -11.462 -9.004 0.224 1.00 0.00 H new ATOM 229 N GLN A 15 -9.605 -3.709 2.689 1.00 0.00 N ATOM 230 CA GLN A 15 -10.837 -4.030 3.402 1.00 0.00 C ATOM 231 C GLN A 15 -11.790 -2.834 3.522 1.00 0.00 C ATOM 232 O GLN A 15 -13.001 -3.009 3.444 1.00 0.00 O ATOM 233 CB GLN A 15 -10.511 -4.576 4.797 1.00 0.00 C ATOM 234 CG GLN A 15 -9.740 -5.890 4.782 1.00 0.00 C ATOM 235 CD GLN A 15 -8.505 -5.856 5.662 1.00 0.00 C ATOM 236 OE1 GLN A 15 -7.665 -4.970 5.528 1.00 0.00 O ATOM 237 NE2 GLN A 15 -8.388 -6.820 6.564 1.00 0.00 N ATOM 0 H GLN A 15 -8.756 -4.005 3.171 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.351 -4.789 2.813 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.930 -3.831 5.341 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -11.441 -4.718 5.347 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -10.396 -6.695 5.115 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -9.445 -6.122 3.758 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.110 -7.537 6.641 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -7.576 -6.845 7.181 1.00 0.00 H new ATOM 246 N LEU A 16 -11.251 -1.628 3.714 1.00 0.00 N ATOM 247 CA LEU A 16 -12.088 -0.427 3.850 1.00 0.00 C ATOM 248 C LEU A 16 -12.894 -0.135 2.579 1.00 0.00 C ATOM 249 O LEU A 16 -14.117 -0.007 2.630 1.00 0.00 O ATOM 250 CB LEU A 16 -11.227 0.791 4.198 1.00 0.00 C ATOM 251 CG LEU A 16 -11.671 1.562 5.443 1.00 0.00 C ATOM 252 CD1 LEU A 16 -10.521 2.384 6.002 1.00 0.00 C ATOM 253 CD2 LEU A 16 -12.856 2.458 5.119 1.00 0.00 C ATOM 0 H LEU A 16 -10.248 -1.454 3.779 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.793 -0.623 4.658 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -10.198 0.461 4.341 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -11.228 1.473 3.347 1.00 0.00 H new ATOM 0 HG LEU A 16 -11.979 0.842 6.201 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -10.857 2.925 6.887 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -9.698 1.722 6.272 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -10.182 3.095 5.249 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -13.159 2.999 6.015 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -12.573 3.170 4.344 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -13.687 1.848 4.765 1.00 0.00 H new ATOM 265 N LEU A 17 -12.195 0.005 1.452 1.00 0.00 N ATOM 266 CA LEU A 17 -12.859 0.327 0.177 1.00 0.00 C ATOM 267 C LEU A 17 -14.094 -0.538 -0.064 1.00 0.00 C ATOM 268 O LEU A 17 -15.160 -0.042 -0.431 1.00 0.00 O ATOM 269 CB LEU A 17 -11.908 0.150 -0.992 1.00 0.00 C ATOM 270 CG LEU A 17 -11.553 1.436 -1.739 1.00 0.00 C ATOM 271 CD1 LEU A 17 -12.728 1.913 -2.572 1.00 0.00 C ATOM 272 CD2 LEU A 17 -11.125 2.516 -0.766 1.00 0.00 C ATOM 0 H LEU A 17 -11.182 -0.097 1.390 1.00 0.00 H new ATOM 0 HA LEU A 17 -13.170 1.369 0.250 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -10.988 -0.305 -0.626 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -12.352 -0.552 -1.698 1.00 0.00 H new ATOM 0 HG LEU A 17 -10.720 1.222 -2.408 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -12.455 2.829 -3.096 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -12.994 1.145 -3.299 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -13.580 2.108 -1.921 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.876 3.424 -1.316 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -11.939 2.724 -0.072 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.251 2.178 -0.209 1.00 0.00 H new ATOM 284 N LYS A 18 -13.928 -1.829 0.144 1.00 0.00 N ATOM 285 CA LYS A 18 -15.003 -2.799 -0.050 1.00 0.00 C ATOM 286 C LYS A 18 -15.963 -2.822 1.129 1.00 0.00 C ATOM 287 O LYS A 18 -17.147 -3.113 0.976 1.00 0.00 O ATOM 288 CB LYS A 18 -14.401 -4.183 -0.258 1.00 0.00 C ATOM 289 CG LYS A 18 -13.548 -4.607 0.915 1.00 0.00 C ATOM 290 CD LYS A 18 -13.740 -6.081 1.245 1.00 0.00 C ATOM 291 CE LYS A 18 -13.231 -6.416 2.638 1.00 0.00 C ATOM 292 NZ LYS A 18 -14.081 -7.449 3.301 1.00 0.00 N ATOM 0 H LYS A 18 -13.047 -2.241 0.452 1.00 0.00 H new ATOM 0 HA LYS A 18 -15.573 -2.503 -0.931 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -15.201 -4.908 -0.407 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.797 -4.184 -1.165 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -12.499 -4.418 0.689 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -13.801 -4.003 1.786 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -14.797 -6.335 1.173 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -13.215 -6.690 0.509 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -12.204 -6.776 2.574 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -13.215 -5.512 3.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -13.704 -7.653 4.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -15.055 -7.095 3.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -14.076 -8.320 2.732 1.00 0.00 H new ATOM 306 N ALA A 19 -15.433 -2.512 2.297 1.00 0.00 N ATOM 307 CA ALA A 19 -16.223 -2.488 3.521 1.00 0.00 C ATOM 308 C ALA A 19 -17.118 -1.255 3.570 1.00 0.00 C ATOM 309 O ALA A 19 -18.161 -1.265 4.225 1.00 0.00 O ATOM 310 CB ALA A 19 -15.327 -2.550 4.751 1.00 0.00 C ATOM 0 H ALA A 19 -14.451 -2.271 2.428 1.00 0.00 H new ATOM 0 HA ALA A 19 -16.862 -3.371 3.521 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -15.942 -2.531 5.651 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -14.744 -3.470 4.730 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -14.653 -1.693 4.754 1.00 0.00 H new ATOM 316 N TYR A 20 -16.713 -0.195 2.866 1.00 0.00 N ATOM 317 CA TYR A 20 -17.498 1.021 2.836 1.00 0.00 C ATOM 318 C TYR A 20 -18.531 0.955 1.714 1.00 0.00 C ATOM 319 O TYR A 20 -19.665 1.379 1.927 1.00 0.00 O ATOM 320 CB TYR A 20 -16.590 2.273 2.769 1.00 0.00 C ATOM 321 CG TYR A 20 -16.385 2.917 1.407 1.00 0.00 C ATOM 322 CD1 TYR A 20 -17.456 3.335 0.623 1.00 0.00 C ATOM 323 CD2 TYR A 20 -15.100 3.144 0.926 1.00 0.00 C ATOM 324 CE1 TYR A 20 -17.250 3.951 -0.599 1.00 0.00 C ATOM 325 CE2 TYR A 20 -14.888 3.756 -0.292 1.00 0.00 C ATOM 326 CZ TYR A 20 -15.965 4.159 -1.051 1.00 0.00 C ATOM 327 OH TYR A 20 -15.759 4.774 -2.265 1.00 0.00 O ATOM 0 H TYR A 20 -15.854 -0.163 2.317 1.00 0.00 H new ATOM 0 HA TYR A 20 -18.055 1.113 3.769 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -17.005 3.026 3.439 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -15.611 2.001 3.163 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -18.465 3.176 0.974 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -14.251 2.835 1.518 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -18.093 4.267 -1.196 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -13.882 3.919 -0.649 1.00 0.00 H new ATOM 0 HH TYR A 20 -14.797 4.846 -2.436 1.00 0.00 H new ATOM 337 N ASP A 21 -18.164 0.372 0.546 1.00 0.00 N ATOM 338 CA ASP A 21 -19.139 0.218 -0.571 1.00 0.00 C ATOM 339 C ASP A 21 -18.494 0.044 -1.954 1.00 0.00 C ATOM 340 O ASP A 21 -19.180 0.166 -2.973 1.00 0.00 O ATOM 341 CB ASP A 21 -20.108 1.414 -0.638 1.00 0.00 C ATOM 342 CG ASP A 21 -21.536 1.038 -0.279 1.00 0.00 C ATOM 343 OD1 ASP A 21 -21.962 -0.093 -0.608 1.00 0.00 O ATOM 344 OD2 ASP A 21 -22.234 1.880 0.323 1.00 0.00 O ATOM 0 H ASP A 21 -17.231 0.010 0.352 1.00 0.00 H new ATOM 0 HA ASP A 21 -19.674 -0.703 -0.337 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -19.762 2.194 0.040 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -20.090 1.834 -1.644 1.00 0.00 H new ATOM 349 N VAL A 22 -17.197 -0.216 -2.018 1.00 0.00 N ATOM 350 CA VAL A 22 -16.528 -0.362 -3.298 1.00 0.00 C ATOM 351 C VAL A 22 -15.612 -1.576 -3.319 1.00 0.00 C ATOM 352 O VAL A 22 -14.396 -1.453 -3.138 1.00 0.00 O ATOM 353 CB VAL A 22 -15.725 0.916 -3.600 1.00 0.00 C ATOM 354 CG1 VAL A 22 -14.850 0.751 -4.835 1.00 0.00 C ATOM 355 CG2 VAL A 22 -16.664 2.100 -3.769 1.00 0.00 C ATOM 0 H VAL A 22 -16.592 -0.329 -1.204 1.00 0.00 H new ATOM 0 HA VAL A 22 -17.286 -0.514 -4.066 1.00 0.00 H new ATOM 0 HB VAL A 22 -15.066 1.103 -2.752 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -14.299 1.674 -5.016 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -14.147 -0.067 -4.676 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -15.477 0.528 -5.698 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -16.083 2.997 -3.982 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -17.349 1.906 -4.595 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -17.234 2.246 -2.851 1.00 0.00 H new ATOM 365 N ASN A 23 -16.199 -2.758 -3.519 1.00 0.00 N ATOM 366 CA ASN A 23 -15.418 -3.998 -3.556 1.00 0.00 C ATOM 367 C ASN A 23 -14.488 -4.035 -4.772 1.00 0.00 C ATOM 368 O ASN A 23 -14.493 -4.993 -5.543 1.00 0.00 O ATOM 369 CB ASN A 23 -16.314 -5.237 -3.551 1.00 0.00 C ATOM 370 CG ASN A 23 -17.602 -5.051 -4.336 1.00 0.00 C ATOM 371 OD1 ASN A 23 -18.634 -4.707 -3.770 1.00 0.00 O ATOM 372 ND2 ASN A 23 -17.546 -5.269 -5.641 1.00 0.00 N ATOM 0 H ASN A 23 -17.202 -2.883 -3.657 1.00 0.00 H new ATOM 0 HA ASN A 23 -14.813 -4.012 -2.650 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -15.761 -6.078 -3.968 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -16.559 -5.496 -2.521 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -18.382 -5.152 -6.214 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -16.667 -5.554 -6.073 1.00 0.00 H new ATOM 379 N ILE A 24 -13.701 -2.971 -4.899 1.00 0.00 N ATOM 380 CA ILE A 24 -12.709 -2.737 -5.930 1.00 0.00 C ATOM 381 C ILE A 24 -13.059 -3.109 -7.376 1.00 0.00 C ATOM 382 O ILE A 24 -12.262 -2.797 -8.260 1.00 0.00 O ATOM 383 CB ILE A 24 -11.364 -3.337 -5.557 1.00 0.00 C ATOM 384 CG1 ILE A 24 -11.516 -4.247 -4.361 1.00 0.00 C ATOM 385 CG2 ILE A 24 -10.327 -2.258 -5.314 1.00 0.00 C ATOM 386 CD1 ILE A 24 -12.031 -5.558 -4.808 1.00 0.00 C ATOM 0 H ILE A 24 -13.747 -2.198 -4.235 1.00 0.00 H new ATOM 0 HA ILE A 24 -12.672 -1.648 -5.949 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.006 -3.935 -6.395 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.556 -4.372 -3.860 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -12.198 -3.803 -3.636 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -9.376 -2.720 -5.049 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -10.202 -1.663 -6.219 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -10.657 -1.614 -4.499 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.142 -6.218 -3.948 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -13.000 -5.423 -5.290 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.332 -6.001 -5.517 1.00 0.00 H new ATOM 398 N SER A 25 -14.185 -3.783 -7.643 1.00 0.00 N ATOM 399 CA SER A 25 -14.513 -4.173 -9.017 1.00 0.00 C ATOM 400 C SER A 25 -14.118 -3.050 -9.986 1.00 0.00 C ATOM 401 O SER A 25 -13.226 -3.223 -10.837 1.00 0.00 O ATOM 402 CB SER A 25 -16.009 -4.503 -9.144 1.00 0.00 C ATOM 403 OG SER A 25 -16.585 -3.894 -10.291 1.00 0.00 O ATOM 0 H SER A 25 -14.870 -4.064 -6.941 1.00 0.00 H new ATOM 0 HA SER A 25 -13.949 -5.070 -9.273 1.00 0.00 H new ATOM 0 HB2 SER A 25 -16.140 -5.584 -9.201 1.00 0.00 H new ATOM 0 HB3 SER A 25 -16.534 -4.165 -8.250 1.00 0.00 H new ATOM 0 HG SER A 25 -17.536 -4.126 -10.342 1.00 0.00 H new ATOM 409 N GLY A 26 -14.752 -1.888 -9.818 1.00 0.00 N ATOM 410 CA GLY A 26 -14.440 -0.734 -10.641 1.00 0.00 C ATOM 411 C GLY A 26 -13.197 0.005 -10.166 1.00 0.00 C ATOM 412 O GLY A 26 -12.549 0.689 -10.954 1.00 0.00 O ATOM 0 H GLY A 26 -15.480 -1.728 -9.121 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.295 -1.056 -11.672 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -15.289 -0.050 -10.637 1.00 0.00 H new ATOM 416 N LEU A 27 -12.865 -0.122 -8.874 1.00 0.00 N ATOM 417 CA LEU A 27 -11.699 0.545 -8.311 1.00 0.00 C ATOM 418 C LEU A 27 -10.404 -0.027 -8.873 1.00 0.00 C ATOM 419 O LEU A 27 -9.648 0.701 -9.521 1.00 0.00 O ATOM 420 CB LEU A 27 -11.695 0.431 -6.800 1.00 0.00 C ATOM 421 CG LEU A 27 -10.808 1.437 -6.088 1.00 0.00 C ATOM 422 CD1 LEU A 27 -11.535 2.759 -5.944 1.00 0.00 C ATOM 423 CD2 LEU A 27 -10.388 0.887 -4.740 1.00 0.00 C ATOM 0 H LEU A 27 -13.392 -0.682 -8.204 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.760 1.597 -8.591 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.716 0.548 -6.438 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.373 -0.574 -6.526 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.908 1.612 -6.678 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.891 3.474 -5.432 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.791 3.143 -6.932 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.446 2.612 -5.365 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.752 1.613 -4.233 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.273 0.695 -4.134 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.837 -0.042 -4.882 1.00 0.00 H new ATOM 435 N VAL A 28 -10.144 -1.332 -8.645 1.00 0.00 N ATOM 436 CA VAL A 28 -8.938 -1.951 -9.184 1.00 0.00 C ATOM 437 C VAL A 28 -8.786 -1.510 -10.635 1.00 0.00 C ATOM 438 O VAL A 28 -7.856 -0.800 -10.976 1.00 0.00 O ATOM 439 CB VAL A 28 -9.007 -3.494 -9.110 1.00 0.00 C ATOM 440 CG1 VAL A 28 -7.937 -4.129 -9.986 1.00 0.00 C ATOM 441 CG2 VAL A 28 -8.864 -3.965 -7.675 1.00 0.00 C ATOM 0 H VAL A 28 -10.743 -1.955 -8.104 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.081 -1.635 -8.590 1.00 0.00 H new ATOM 0 HB VAL A 28 -9.982 -3.807 -9.483 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.007 -5.215 -9.916 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.085 -3.822 -11.021 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.952 -3.806 -9.649 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -8.915 -5.053 -7.642 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.904 -3.635 -7.278 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -9.670 -3.546 -7.072 1.00 0.00 H new ATOM 451 N SER A 29 -9.766 -1.900 -11.443 1.00 0.00 N ATOM 452 CA SER A 29 -9.865 -1.566 -12.860 1.00 0.00 C ATOM 453 C SER A 29 -9.662 -0.069 -13.142 1.00 0.00 C ATOM 454 O SER A 29 -8.884 0.293 -14.028 1.00 0.00 O ATOM 455 CB SER A 29 -11.261 -1.972 -13.324 1.00 0.00 C ATOM 456 OG SER A 29 -12.247 -1.559 -12.391 1.00 0.00 O ATOM 0 H SER A 29 -10.541 -2.478 -11.118 1.00 0.00 H new ATOM 0 HA SER A 29 -9.076 -2.095 -13.394 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.468 -1.528 -14.298 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.306 -3.054 -13.451 1.00 0.00 H new ATOM 0 HG SER A 29 -12.532 -2.328 -11.854 1.00 0.00 H new ATOM 462 N THR A 30 -10.332 0.799 -12.379 1.00 0.00 N ATOM 463 CA THR A 30 -10.185 2.242 -12.557 1.00 0.00 C ATOM 464 C THR A 30 -8.747 2.597 -12.295 1.00 0.00 C ATOM 465 O THR A 30 -8.080 3.256 -13.097 1.00 0.00 O ATOM 466 CB THR A 30 -11.093 3.002 -11.583 1.00 0.00 C ATOM 467 OG1 THR A 30 -12.446 2.870 -11.957 1.00 0.00 O ATOM 468 CG2 THR A 30 -10.789 4.481 -11.480 1.00 0.00 C ATOM 0 H THR A 30 -10.977 0.528 -11.637 1.00 0.00 H new ATOM 0 HA THR A 30 -10.472 2.520 -13.571 1.00 0.00 H new ATOM 0 HB THR A 30 -10.899 2.549 -10.611 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.758 1.966 -11.742 1.00 0.00 H new ATOM 0 HG21 THR A 30 -11.475 4.945 -10.771 1.00 0.00 H new ATOM 0 HG22 THR A 30 -9.764 4.619 -11.136 1.00 0.00 H new ATOM 0 HG23 THR A 30 -10.909 4.946 -12.459 1.00 0.00 H new ATOM 476 N THR A 31 -8.278 2.130 -11.151 1.00 0.00 N ATOM 477 CA THR A 31 -6.920 2.357 -10.738 1.00 0.00 C ATOM 478 C THR A 31 -5.953 1.784 -11.766 1.00 0.00 C ATOM 479 O THR A 31 -4.939 2.400 -12.103 1.00 0.00 O ATOM 480 CB THR A 31 -6.653 1.732 -9.370 1.00 0.00 C ATOM 481 OG1 THR A 31 -7.705 2.018 -8.466 1.00 0.00 O ATOM 482 CG2 THR A 31 -5.368 2.221 -8.756 1.00 0.00 C ATOM 0 H THR A 31 -8.832 1.586 -10.490 1.00 0.00 H new ATOM 0 HA THR A 31 -6.766 3.433 -10.662 1.00 0.00 H new ATOM 0 HB THR A 31 -6.579 0.658 -9.543 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.380 1.309 -8.515 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.225 1.747 -7.785 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.533 1.968 -9.410 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.414 3.302 -8.628 1.00 0.00 H new ATOM 490 N MET A 32 -6.290 0.593 -12.255 1.00 0.00 N ATOM 491 CA MET A 32 -5.489 -0.109 -13.242 1.00 0.00 C ATOM 492 C MET A 32 -5.198 0.776 -14.443 1.00 0.00 C ATOM 493 O MET A 32 -4.050 0.926 -14.826 1.00 0.00 O ATOM 494 CB MET A 32 -6.197 -1.401 -13.688 1.00 0.00 C ATOM 495 CG MET A 32 -6.430 -2.387 -12.550 1.00 0.00 C ATOM 496 SD MET A 32 -5.260 -2.189 -11.214 1.00 0.00 S ATOM 497 CE MET A 32 -4.693 -3.870 -11.115 1.00 0.00 C ATOM 0 H MET A 32 -7.131 0.089 -11.973 1.00 0.00 H new ATOM 0 HA MET A 32 -4.538 -0.371 -12.778 1.00 0.00 H new ATOM 0 HB2 MET A 32 -7.156 -1.144 -14.138 1.00 0.00 H new ATOM 0 HB3 MET A 32 -5.601 -1.885 -14.462 1.00 0.00 H new ATOM 0 HG2 MET A 32 -7.441 -2.257 -12.164 1.00 0.00 H new ATOM 0 HG3 MET A 32 -6.364 -3.404 -12.937 1.00 0.00 H new ATOM 0 HE1 MET A 32 -4.055 -3.988 -10.239 1.00 0.00 H new ATOM 0 HE2 MET A 32 -5.550 -4.539 -11.032 1.00 0.00 H new ATOM 0 HE3 MET A 32 -4.126 -4.116 -12.013 1.00 0.00 H new ATOM 507 N GLN A 33 -6.239 1.362 -15.031 1.00 0.00 N ATOM 508 CA GLN A 33 -6.063 2.233 -16.191 1.00 0.00 C ATOM 509 C GLN A 33 -5.227 3.460 -15.840 1.00 0.00 C ATOM 510 O GLN A 33 -4.238 3.746 -16.516 1.00 0.00 O ATOM 511 CB GLN A 33 -7.411 2.663 -16.753 1.00 0.00 C ATOM 512 CG GLN A 33 -7.321 3.274 -18.144 1.00 0.00 C ATOM 513 CD GLN A 33 -8.291 4.418 -18.350 1.00 0.00 C ATOM 514 OE1 GLN A 33 -7.892 5.526 -18.698 1.00 0.00 O ATOM 515 NE2 GLN A 33 -9.572 4.157 -18.140 1.00 0.00 N ATOM 0 H GLN A 33 -7.206 1.251 -14.726 1.00 0.00 H new ATOM 0 HA GLN A 33 -5.531 1.663 -16.952 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.074 1.799 -16.787 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.864 3.387 -16.075 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -6.305 3.631 -18.313 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -7.515 2.501 -18.888 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.861 3.222 -17.852 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.269 4.891 -18.267 1.00 0.00 H new ATOM 524 N ASN A 34 -5.605 4.175 -14.777 1.00 0.00 N ATOM 525 CA ASN A 34 -4.838 5.352 -14.368 1.00 0.00 C ATOM 526 C ASN A 34 -3.388 4.948 -14.129 1.00 0.00 C ATOM 527 O ASN A 34 -2.466 5.551 -14.689 1.00 0.00 O ATOM 528 CB ASN A 34 -5.422 6.000 -13.106 1.00 0.00 C ATOM 529 CG ASN A 34 -6.790 6.611 -13.327 1.00 0.00 C ATOM 530 OD1 ASN A 34 -6.917 7.681 -13.917 1.00 0.00 O ATOM 531 ND2 ASN A 34 -7.826 5.939 -12.851 1.00 0.00 N ATOM 0 H ASN A 34 -6.418 3.966 -14.197 1.00 0.00 H new ATOM 0 HA ASN A 34 -4.891 6.091 -15.167 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -5.489 5.250 -12.318 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -4.739 6.773 -12.753 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -8.770 6.307 -12.969 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -7.680 5.053 -12.366 1.00 0.00 H new ATOM 538 N GLU A 35 -3.192 3.903 -13.321 1.00 0.00 N ATOM 539 CA GLU A 35 -1.853 3.401 -13.044 1.00 0.00 C ATOM 540 C GLU A 35 -1.231 2.825 -14.317 1.00 0.00 C ATOM 541 O GLU A 35 -0.023 2.863 -14.495 1.00 0.00 O ATOM 542 CB GLU A 35 -1.882 2.350 -11.932 1.00 0.00 C ATOM 543 CG GLU A 35 -0.629 2.350 -11.063 1.00 0.00 C ATOM 544 CD GLU A 35 -0.255 3.734 -10.564 1.00 0.00 C ATOM 545 OE1 GLU A 35 -0.758 4.135 -9.494 1.00 0.00 O ATOM 546 OE2 GLU A 35 0.541 4.416 -11.245 1.00 0.00 O ATOM 0 H GLU A 35 -3.941 3.394 -12.852 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.238 4.233 -12.702 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.753 2.525 -11.300 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.005 1.363 -12.378 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.786 1.692 -10.209 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.203 1.938 -11.634 1.00 0.00 H new ATOM 553 N ALA A 36 -2.067 2.318 -15.219 1.00 0.00 N ATOM 554 CA ALA A 36 -1.597 1.773 -16.487 1.00 0.00 C ATOM 555 C ALA A 36 -1.100 2.896 -17.393 1.00 0.00 C ATOM 556 O ALA A 36 -0.045 2.788 -18.021 1.00 0.00 O ATOM 557 CB ALA A 36 -2.723 1.011 -17.167 1.00 0.00 C ATOM 0 H ALA A 36 -3.078 2.274 -15.093 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.769 1.090 -16.295 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.368 0.605 -18.114 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.051 0.195 -16.523 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.559 1.686 -17.352 1.00 0.00 H new ATOM 563 N ARG A 37 -1.873 3.978 -17.449 1.00 0.00 N ATOM 564 CA ARG A 37 -1.525 5.134 -18.265 1.00 0.00 C ATOM 565 C ARG A 37 -0.338 5.874 -17.694 1.00 0.00 C ATOM 566 O ARG A 37 0.652 6.130 -18.382 1.00 0.00 O ATOM 567 CB ARG A 37 -2.676 6.124 -18.308 1.00 0.00 C ATOM 568 CG ARG A 37 -3.378 6.206 -19.651 1.00 0.00 C ATOM 569 CD ARG A 37 -2.474 6.809 -20.713 1.00 0.00 C ATOM 570 NE ARG A 37 -1.854 5.781 -21.554 1.00 0.00 N ATOM 571 CZ ARG A 37 -0.939 6.026 -22.486 1.00 0.00 C ATOM 572 NH1 ARG A 37 -0.528 7.259 -22.712 1.00 0.00 N ATOM 573 NH2 ARG A 37 -0.433 5.033 -23.191 1.00 0.00 N ATOM 0 H ARG A 37 -2.749 4.076 -16.935 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.294 4.753 -19.260 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.405 5.849 -17.546 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.299 7.113 -18.047 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.691 5.209 -19.961 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.281 6.809 -19.555 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.053 7.489 -21.338 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.696 7.402 -20.233 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.144 4.813 -21.415 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.913 8.032 -22.170 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.175 7.439 -23.429 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.744 4.077 -23.021 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.269 5.221 -23.906 1.00 0.00 H new ATOM 587 N ARG A 38 -0.486 6.274 -16.440 1.00 0.00 N ATOM 588 CA ARG A 38 0.530 7.054 -15.775 1.00 0.00 C ATOM 589 C ARG A 38 1.666 6.207 -15.179 1.00 0.00 C ATOM 590 O ARG A 38 2.812 6.669 -15.135 1.00 0.00 O ATOM 591 CB ARG A 38 -0.103 7.917 -14.678 1.00 0.00 C ATOM 592 CG ARG A 38 0.364 9.366 -14.695 1.00 0.00 C ATOM 593 CD ARG A 38 1.712 9.527 -14.005 1.00 0.00 C ATOM 594 NE ARG A 38 2.819 9.117 -14.876 1.00 0.00 N ATOM 595 CZ ARG A 38 3.513 9.938 -15.656 1.00 0.00 C ATOM 596 NH1 ARG A 38 3.216 11.221 -15.720 1.00 0.00 N ATOM 597 NH2 ARG A 38 4.499 9.460 -16.389 1.00 0.00 N ATOM 0 H ARG A 38 -1.304 6.067 -15.867 1.00 0.00 H new ATOM 0 HA ARG A 38 0.981 7.684 -16.542 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.187 7.892 -14.789 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.128 7.481 -13.706 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.438 9.713 -15.726 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.377 9.994 -14.200 1.00 0.00 H new ATOM 0 HD2 ARG A 38 1.848 10.567 -13.709 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.727 8.931 -13.092 1.00 0.00 H new ATOM 0 HE ARG A 38 3.074 8.129 -14.883 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.445 11.594 -15.166 1.00 0.00 H new ATOM 0 HH12 ARG A 38 3.757 11.840 -16.323 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.724 8.466 -16.355 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.036 10.084 -16.990 1.00 0.00 H new ATOM 1184 N LYS B 102 -5.283 -13.647 5.885 1.00 0.00 N ATOM 1185 CA LYS B 102 -5.248 -13.094 4.529 1.00 0.00 C ATOM 1186 C LYS B 102 -6.662 -12.963 3.973 1.00 0.00 C ATOM 1187 O LYS B 102 -7.498 -13.855 4.142 1.00 0.00 O ATOM 1188 CB LYS B 102 -4.374 -13.937 3.587 1.00 0.00 C ATOM 1189 CG LYS B 102 -2.903 -13.967 3.982 1.00 0.00 C ATOM 1190 CD LYS B 102 -2.188 -12.683 3.577 1.00 0.00 C ATOM 1191 CE LYS B 102 -2.145 -11.676 4.716 1.00 0.00 C ATOM 1192 NZ LYS B 102 -0.910 -11.826 5.538 1.00 0.00 N ATOM 0 HA LYS B 102 -4.797 -12.103 4.590 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -4.757 -14.957 3.566 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -4.462 -13.543 2.574 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -2.818 -14.108 5.060 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -2.416 -14.820 3.510 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -1.172 -12.917 3.261 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -2.694 -12.240 2.719 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -2.192 -10.665 4.310 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -3.022 -11.806 5.350 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -0.916 -11.123 6.305 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -0.878 -12.782 5.945 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -0.074 -11.677 4.938 1.00 0.00 H new ATOM 1206 N GLN B 103 -6.930 -11.850 3.301 1.00 0.00 N ATOM 1207 CA GLN B 103 -8.235 -11.611 2.722 1.00 0.00 C ATOM 1208 C GLN B 103 -8.122 -11.392 1.233 1.00 0.00 C ATOM 1209 O GLN B 103 -7.461 -10.468 0.759 1.00 0.00 O ATOM 1210 CB GLN B 103 -8.932 -10.439 3.403 1.00 0.00 C ATOM 1211 CG GLN B 103 -10.201 -10.035 2.694 1.00 0.00 C ATOM 1212 CD GLN B 103 -11.233 -11.133 2.604 1.00 0.00 C ATOM 1213 OE1 GLN B 103 -11.680 -11.665 3.611 1.00 0.00 O ATOM 1214 NE2 GLN B 103 -11.623 -11.469 1.389 1.00 0.00 N ATOM 0 H GLN B 103 -6.256 -11.101 3.146 1.00 0.00 H new ATOM 0 HA GLN B 103 -8.849 -12.496 2.887 1.00 0.00 H new ATOM 0 HB2 GLN B 103 -9.164 -10.707 4.434 1.00 0.00 H new ATOM 0 HB3 GLN B 103 -8.253 -9.587 3.440 1.00 0.00 H new ATOM 0 HG2 GLN B 103 -10.638 -9.182 3.212 1.00 0.00 H new ATOM 0 HG3 GLN B 103 -9.951 -9.702 1.687 1.00 0.00 H new ATOM 0 HE21 GLN B 103 -11.223 -10.999 0.577 1.00 0.00 H new ATOM 0 HE22 GLN B 103 -12.324 -12.199 1.262 1.00 0.00 H new ATOM 1223 N ARG B 104 -8.751 -12.293 0.508 1.00 0.00 N ATOM 1224 CA ARG B 104 -8.727 -12.283 -0.934 1.00 0.00 C ATOM 1225 C ARG B 104 -9.687 -11.274 -1.533 1.00 0.00 C ATOM 1226 O ARG B 104 -10.901 -11.488 -1.564 1.00 0.00 O ATOM 1227 CB ARG B 104 -9.091 -13.676 -1.423 1.00 0.00 C ATOM 1228 CG ARG B 104 -9.185 -13.846 -2.928 1.00 0.00 C ATOM 1229 CD ARG B 104 -9.907 -15.139 -3.240 1.00 0.00 C ATOM 1230 NE ARG B 104 -10.338 -15.210 -4.629 1.00 0.00 N ATOM 1231 CZ ARG B 104 -9.627 -15.767 -5.592 1.00 0.00 C ATOM 1232 NH1 ARG B 104 -8.383 -16.131 -5.372 1.00 0.00 N ATOM 1233 NH2 ARG B 104 -10.139 -15.911 -6.790 1.00 0.00 N ATOM 0 H ARG B 104 -9.296 -13.057 0.908 1.00 0.00 H new ATOM 0 HA ARG B 104 -7.726 -11.993 -1.253 1.00 0.00 H new ATOM 0 HB2 ARG B 104 -8.350 -14.379 -1.043 1.00 0.00 H new ATOM 0 HB3 ARG B 104 -10.049 -13.955 -0.985 1.00 0.00 H new ATOM 0 HG2 ARG B 104 -9.718 -13.003 -3.368 1.00 0.00 H new ATOM 0 HG3 ARG B 104 -8.188 -13.858 -3.367 1.00 0.00 H new ATOM 0 HD2 ARG B 104 -9.250 -15.981 -3.022 1.00 0.00 H new ATOM 0 HD3 ARG B 104 -10.775 -15.235 -2.587 1.00 0.00 H new ATOM 0 HE ARG B 104 -11.242 -14.806 -4.872 1.00 0.00 H new ATOM 0 HH11 ARG B 104 -7.963 -15.983 -4.454 1.00 0.00 H new ATOM 0 HH12 ARG B 104 -7.838 -16.561 -6.119 1.00 0.00 H new ATOM 0 HH21 ARG B 104 -11.089 -15.592 -6.980 1.00 0.00 H new ATOM 0 HH22 ARG B 104 -9.587 -16.342 -7.532 1.00 0.00 H new ATOM 1247 N ILE B 105 -9.126 -10.227 -2.101 1.00 0.00 N ATOM 1248 CA ILE B 105 -9.919 -9.250 -2.815 1.00 0.00 C ATOM 1249 C ILE B 105 -9.805 -9.678 -4.250 1.00 0.00 C ATOM 1250 O ILE B 105 -8.706 -9.765 -4.773 1.00 0.00 O ATOM 1251 CB ILE B 105 -9.438 -7.790 -2.648 1.00 0.00 C ATOM 1252 CG1 ILE B 105 -9.024 -7.196 -3.994 1.00 0.00 C ATOM 1253 CG2 ILE B 105 -8.290 -7.696 -1.661 1.00 0.00 C ATOM 1254 CD1 ILE B 105 -8.574 -5.767 -3.897 1.00 0.00 C ATOM 0 H ILE B 105 -8.125 -10.031 -2.082 1.00 0.00 H new ATOM 0 HA ILE B 105 -10.938 -9.232 -2.429 1.00 0.00 H new ATOM 0 HB ILE B 105 -10.275 -7.214 -2.253 1.00 0.00 H new ATOM 0 HG12 ILE B 105 -8.218 -7.796 -4.416 1.00 0.00 H new ATOM 0 HG13 ILE B 105 -9.864 -7.259 -4.686 1.00 0.00 H new ATOM 0 HG21 ILE B 105 -7.976 -6.657 -1.567 1.00 0.00 H new ATOM 0 HG22 ILE B 105 -8.615 -8.067 -0.689 1.00 0.00 H new ATOM 0 HG23 ILE B 105 -7.454 -8.297 -2.017 1.00 0.00 H new ATOM 0 HD11 ILE B 105 -8.294 -5.406 -4.887 1.00 0.00 H new ATOM 0 HD12 ILE B 105 -9.386 -5.156 -3.504 1.00 0.00 H new ATOM 0 HD13 ILE B 105 -7.714 -5.701 -3.230 1.00 0.00 H new ATOM 1266 N THR B 106 -10.902 -10.045 -4.853 1.00 0.00 N ATOM 1267 CA THR B 106 -10.856 -10.574 -6.200 1.00 0.00 C ATOM 1268 C THR B 106 -11.649 -9.699 -7.177 1.00 0.00 C ATOM 1269 O THR B 106 -12.878 -9.676 -7.131 1.00 0.00 O ATOM 1270 CB THR B 106 -11.384 -12.027 -6.160 1.00 0.00 C ATOM 1271 OG1 THR B 106 -11.526 -12.527 -4.835 1.00 0.00 O ATOM 1272 CG2 THR B 106 -10.527 -13.020 -6.895 1.00 0.00 C ATOM 0 H THR B 106 -11.834 -9.991 -4.443 1.00 0.00 H new ATOM 0 HA THR B 106 -9.830 -10.570 -6.567 1.00 0.00 H new ATOM 0 HB THR B 106 -12.351 -11.941 -6.656 1.00 0.00 H new ATOM 0 HG1 THR B 106 -12.350 -13.054 -4.771 1.00 0.00 H new ATOM 0 HG21 THR B 106 -10.971 -14.012 -6.816 1.00 0.00 H new ATOM 0 HG22 THR B 106 -10.460 -12.735 -7.945 1.00 0.00 H new ATOM 0 HG23 THR B 106 -9.529 -13.033 -6.458 1.00 0.00 H new ATOM 1280 N VAL B 107 -10.945 -9.029 -8.112 1.00 0.00 N ATOM 1281 CA VAL B 107 -11.597 -8.216 -9.153 1.00 0.00 C ATOM 1282 C VAL B 107 -11.601 -8.978 -10.478 1.00 0.00 C ATOM 1283 O VAL B 107 -10.560 -9.110 -11.125 1.00 0.00 O ATOM 1284 CB VAL B 107 -10.958 -6.787 -9.342 1.00 0.00 C ATOM 1285 CG1 VAL B 107 -10.701 -6.423 -10.821 1.00 0.00 C ATOM 1286 CG2 VAL B 107 -11.860 -5.741 -8.720 1.00 0.00 C ATOM 0 H VAL B 107 -9.926 -9.036 -8.166 1.00 0.00 H new ATOM 0 HA VAL B 107 -12.618 -8.042 -8.815 1.00 0.00 H new ATOM 0 HB VAL B 107 -9.988 -6.810 -8.846 1.00 0.00 H new ATOM 0 HG11 VAL B 107 -10.261 -5.428 -10.880 1.00 0.00 H new ATOM 0 HG12 VAL B 107 -10.017 -7.149 -11.261 1.00 0.00 H new ATOM 0 HG13 VAL B 107 -11.644 -6.435 -11.368 1.00 0.00 H new ATOM 0 HG21 VAL B 107 -11.417 -4.754 -8.851 1.00 0.00 H new ATOM 0 HG22 VAL B 107 -12.836 -5.768 -9.204 1.00 0.00 H new ATOM 0 HG23 VAL B 107 -11.977 -5.947 -7.656 1.00 0.00 H new ATOM 1296 N THR B 108 -12.752 -9.491 -10.887 1.00 0.00 N ATOM 1297 CA THR B 108 -12.852 -10.208 -12.148 1.00 0.00 C ATOM 1298 C THR B 108 -12.749 -9.215 -13.313 1.00 0.00 C ATOM 1299 O THR B 108 -13.753 -8.658 -13.762 1.00 0.00 O ATOM 1300 CB THR B 108 -14.145 -11.011 -12.208 1.00 0.00 C ATOM 1301 OG1 THR B 108 -15.276 -10.227 -11.881 1.00 0.00 O ATOM 1302 CG2 THR B 108 -14.144 -12.205 -11.311 1.00 0.00 C ATOM 0 H THR B 108 -13.626 -9.424 -10.366 1.00 0.00 H new ATOM 0 HA THR B 108 -12.028 -10.917 -12.227 1.00 0.00 H new ATOM 0 HB THR B 108 -14.204 -11.346 -13.244 1.00 0.00 H new ATOM 0 HG1 THR B 108 -15.246 -9.385 -12.382 1.00 0.00 H new ATOM 0 HG21 THR B 108 -15.094 -12.731 -11.404 1.00 0.00 H new ATOM 0 HG22 THR B 108 -13.331 -12.873 -11.595 1.00 0.00 H new ATOM 0 HG23 THR B 108 -14.006 -11.884 -10.278 1.00 0.00 H new ATOM 1310 N VAL B 109 -11.526 -8.981 -13.778 1.00 0.00 N ATOM 1311 CA VAL B 109 -11.276 -8.028 -14.866 1.00 0.00 C ATOM 1312 C VAL B 109 -10.982 -8.742 -16.195 1.00 0.00 C ATOM 1313 O VAL B 109 -11.610 -9.760 -16.473 1.00 0.00 O ATOM 1314 CB VAL B 109 -10.144 -7.032 -14.495 1.00 0.00 C ATOM 1315 CG1 VAL B 109 -10.723 -5.716 -14.009 1.00 0.00 C ATOM 1316 CG2 VAL B 109 -9.212 -7.626 -13.461 1.00 0.00 C ATOM 0 H VAL B 109 -10.687 -9.437 -13.420 1.00 0.00 H new ATOM 0 HA VAL B 109 -12.191 -7.452 -15.007 1.00 0.00 H new ATOM 0 HB VAL B 109 -9.561 -6.836 -15.395 1.00 0.00 H new ATOM 0 HG11 VAL B 109 -9.912 -5.034 -13.755 1.00 0.00 H new ATOM 0 HG12 VAL B 109 -11.335 -5.275 -14.796 1.00 0.00 H new ATOM 0 HG13 VAL B 109 -11.338 -5.893 -13.127 1.00 0.00 H new ATOM 0 HG21 VAL B 109 -8.429 -6.906 -13.220 1.00 0.00 H new ATOM 0 HG22 VAL B 109 -9.775 -7.865 -12.559 1.00 0.00 H new ATOM 0 HG23 VAL B 109 -8.760 -8.535 -13.858 1.00 0.00 H new ATOM 1326 N ASP B 110 -10.113 -8.154 -17.053 1.00 0.00 N ATOM 1327 CA ASP B 110 -9.809 -8.671 -18.404 1.00 0.00 C ATOM 1328 C ASP B 110 -10.520 -7.773 -19.431 1.00 0.00 C ATOM 1329 O ASP B 110 -10.497 -8.010 -20.637 1.00 0.00 O ATOM 1330 CB ASP B 110 -10.265 -10.112 -18.557 1.00 0.00 C ATOM 1331 CG ASP B 110 -9.609 -10.842 -19.711 1.00 0.00 C ATOM 1332 OD1 ASP B 110 -8.430 -11.229 -19.569 1.00 0.00 O ATOM 1333 OD2 ASP B 110 -10.276 -11.044 -20.748 1.00 0.00 O ATOM 0 H ASP B 110 -9.602 -7.302 -16.823 1.00 0.00 H new ATOM 0 HA ASP B 110 -8.731 -8.654 -18.566 1.00 0.00 H new ATOM 0 HB2 ASP B 110 -10.055 -10.650 -17.633 1.00 0.00 H new ATOM 0 HB3 ASP B 110 -11.346 -10.128 -18.696 1.00 0.00 H new ATOM 1338 N SER B 111 -11.114 -6.713 -18.892 1.00 0.00 N ATOM 1339 CA SER B 111 -11.822 -5.700 -19.658 1.00 0.00 C ATOM 1340 C SER B 111 -11.740 -4.341 -18.952 1.00 0.00 C ATOM 1341 O SER B 111 -11.588 -3.310 -19.607 1.00 0.00 O ATOM 1342 CB SER B 111 -13.289 -6.098 -19.849 1.00 0.00 C ATOM 1343 OG SER B 111 -14.044 -5.028 -20.398 1.00 0.00 O ATOM 0 H SER B 111 -11.115 -6.533 -17.888 1.00 0.00 H new ATOM 0 HA SER B 111 -11.349 -5.620 -20.637 1.00 0.00 H new ATOM 0 HB2 SER B 111 -13.351 -6.965 -20.507 1.00 0.00 H new ATOM 0 HB3 SER B 111 -13.716 -6.394 -18.891 1.00 0.00 H new ATOM 0 HG SER B 111 -14.976 -5.309 -20.511 1.00 0.00 H new ATOM 1349 N ASP B 112 -11.883 -4.333 -17.618 1.00 0.00 N ATOM 1350 CA ASP B 112 -11.875 -3.088 -16.858 1.00 0.00 C ATOM 1351 C ASP B 112 -10.470 -2.455 -16.700 1.00 0.00 C ATOM 1352 O ASP B 112 -10.185 -1.806 -15.701 1.00 0.00 O ATOM 1353 CB ASP B 112 -12.535 -3.339 -15.496 1.00 0.00 C ATOM 1354 CG ASP B 112 -13.625 -4.397 -15.556 1.00 0.00 C ATOM 1355 OD1 ASP B 112 -13.281 -5.596 -15.648 1.00 0.00 O ATOM 1356 OD2 ASP B 112 -14.817 -4.028 -15.526 1.00 0.00 O ATOM 0 H ASP B 112 -12.004 -5.173 -17.052 1.00 0.00 H new ATOM 0 HA ASP B 112 -12.445 -2.352 -17.425 1.00 0.00 H new ATOM 0 HB2 ASP B 112 -11.774 -3.648 -14.780 1.00 0.00 H new ATOM 0 HB3 ASP B 112 -12.960 -2.406 -15.126 1.00 0.00 H new ATOM 1361 N SER B 113 -9.605 -2.600 -17.707 1.00 0.00 N ATOM 1362 CA SER B 113 -8.266 -1.992 -17.685 1.00 0.00 C ATOM 1363 C SER B 113 -7.283 -2.658 -16.715 1.00 0.00 C ATOM 1364 O SER B 113 -6.154 -2.186 -16.574 1.00 0.00 O ATOM 1365 CB SER B 113 -8.380 -0.509 -17.341 1.00 0.00 C ATOM 1366 OG SER B 113 -7.812 0.292 -18.364 1.00 0.00 O ATOM 0 H SER B 113 -9.806 -3.135 -18.552 1.00 0.00 H new ATOM 0 HA SER B 113 -7.858 -2.139 -18.685 1.00 0.00 H new ATOM 0 HB2 SER B 113 -9.428 -0.243 -17.205 1.00 0.00 H new ATOM 0 HB3 SER B 113 -7.875 -0.311 -16.396 1.00 0.00 H new ATOM 0 HG SER B 113 -8.521 0.617 -18.957 1.00 0.00 H new ATOM 1372 N TYR B 114 -7.686 -3.743 -16.057 1.00 0.00 N ATOM 1373 CA TYR B 114 -6.789 -4.424 -15.124 1.00 0.00 C ATOM 1374 C TYR B 114 -5.495 -4.870 -15.813 1.00 0.00 C ATOM 1375 O TYR B 114 -4.395 -4.555 -15.353 1.00 0.00 O ATOM 1376 CB TYR B 114 -7.459 -5.639 -14.499 1.00 0.00 C ATOM 1377 CG TYR B 114 -6.466 -6.712 -14.122 1.00 0.00 C ATOM 1378 CD1 TYR B 114 -5.794 -6.679 -12.908 1.00 0.00 C ATOM 1379 CD2 TYR B 114 -6.170 -7.731 -15.009 1.00 0.00 C ATOM 1380 CE1 TYR B 114 -4.862 -7.637 -12.588 1.00 0.00 C ATOM 1381 CE2 TYR B 114 -5.234 -8.688 -14.706 1.00 0.00 C ATOM 1382 CZ TYR B 114 -4.578 -8.642 -13.489 1.00 0.00 C ATOM 1383 OH TYR B 114 -3.629 -9.589 -13.174 1.00 0.00 O ATOM 0 H TYR B 114 -8.610 -4.164 -16.149 1.00 0.00 H new ATOM 0 HA TYR B 114 -6.547 -3.704 -14.342 1.00 0.00 H new ATOM 0 HB2 TYR B 114 -8.011 -5.330 -13.611 1.00 0.00 H new ATOM 0 HB3 TYR B 114 -8.186 -6.050 -15.199 1.00 0.00 H new ATOM 0 HD1 TYR B 114 -6.007 -5.888 -12.204 1.00 0.00 H new ATOM 0 HD2 TYR B 114 -6.685 -7.774 -15.957 1.00 0.00 H new ATOM 0 HE1 TYR B 114 -4.354 -7.603 -11.635 1.00 0.00 H new ATOM 0 HE2 TYR B 114 -5.011 -9.473 -15.414 1.00 0.00 H new ATOM 0 HH TYR B 114 -3.996 -10.484 -13.328 1.00 0.00 H new ATOM 1393 N GLN B 115 -5.640 -5.648 -16.892 1.00 0.00 N ATOM 1394 CA GLN B 115 -4.490 -6.194 -17.617 1.00 0.00 C ATOM 1395 C GLN B 115 -3.442 -5.131 -17.956 1.00 0.00 C ATOM 1396 O GLN B 115 -2.252 -5.381 -17.806 1.00 0.00 O ATOM 1397 CB GLN B 115 -4.943 -6.896 -18.900 1.00 0.00 C ATOM 1398 CG GLN B 115 -6.066 -7.904 -18.703 1.00 0.00 C ATOM 1399 CD GLN B 115 -5.991 -9.049 -19.695 1.00 0.00 C ATOM 1400 OE1 GLN B 115 -5.123 -9.917 -19.589 1.00 0.00 O ATOM 1401 NE2 GLN B 115 -6.891 -9.055 -20.667 1.00 0.00 N ATOM 0 H GLN B 115 -6.545 -5.913 -17.282 1.00 0.00 H new ATOM 0 HA GLN B 115 -4.020 -6.915 -16.948 1.00 0.00 H new ATOM 0 HB2 GLN B 115 -5.270 -6.142 -19.616 1.00 0.00 H new ATOM 0 HB3 GLN B 115 -4.087 -7.406 -19.342 1.00 0.00 H new ATOM 0 HG2 GLN B 115 -6.021 -8.301 -17.689 1.00 0.00 H new ATOM 0 HG3 GLN B 115 -7.027 -7.399 -18.806 1.00 0.00 H new ATOM 0 HE21 GLN B 115 -7.592 -8.316 -20.717 1.00 0.00 H new ATOM 0 HE22 GLN B 115 -6.883 -9.798 -21.365 1.00 0.00 H new ATOM 1410 N LEU B 116 -3.874 -3.954 -18.403 1.00 0.00 N ATOM 1411 CA LEU B 116 -2.939 -2.874 -18.748 1.00 0.00 C ATOM 1412 C LEU B 116 -1.907 -2.636 -17.632 1.00 0.00 C ATOM 1413 O LEU B 116 -0.766 -2.267 -17.901 1.00 0.00 O ATOM 1414 CB LEU B 116 -3.711 -1.580 -19.037 1.00 0.00 C ATOM 1415 CG LEU B 116 -3.343 -0.875 -20.343 1.00 0.00 C ATOM 1416 CD1 LEU B 116 -4.201 0.364 -20.536 1.00 0.00 C ATOM 1417 CD2 LEU B 116 -1.868 -0.504 -20.357 1.00 0.00 C ATOM 0 H LEU B 116 -4.858 -3.720 -18.536 1.00 0.00 H new ATOM 0 HA LEU B 116 -2.396 -3.179 -19.642 1.00 0.00 H new ATOM 0 HB2 LEU B 116 -4.777 -1.809 -19.055 1.00 0.00 H new ATOM 0 HB3 LEU B 116 -3.548 -0.887 -18.211 1.00 0.00 H new ATOM 0 HG LEU B 116 -3.532 -1.562 -21.168 1.00 0.00 H new ATOM 0 HD11 LEU B 116 -3.927 0.855 -21.470 1.00 0.00 H new ATOM 0 HD12 LEU B 116 -5.252 0.077 -20.572 1.00 0.00 H new ATOM 0 HD13 LEU B 116 -4.041 1.051 -19.705 1.00 0.00 H new ATOM 0 HD21 LEU B 116 -1.628 -0.004 -21.295 1.00 0.00 H new ATOM 0 HD22 LEU B 116 -1.653 0.165 -19.523 1.00 0.00 H new ATOM 0 HD23 LEU B 116 -1.265 -1.407 -20.263 1.00 0.00 H new ATOM 1429 N LEU B 117 -2.316 -2.889 -16.391 1.00 0.00 N ATOM 1430 CA LEU B 117 -1.403 -2.732 -15.252 1.00 0.00 C ATOM 1431 C LEU B 117 -0.447 -3.919 -15.130 1.00 0.00 C ATOM 1432 O LEU B 117 0.778 -3.763 -15.153 1.00 0.00 O ATOM 1433 CB LEU B 117 -2.148 -2.544 -13.941 1.00 0.00 C ATOM 1434 CG LEU B 117 -1.944 -1.181 -13.270 1.00 0.00 C ATOM 1435 CD1 LEU B 117 -2.078 -1.316 -11.770 1.00 0.00 C ATOM 1436 CD2 LEU B 117 -0.581 -0.595 -13.616 1.00 0.00 C ATOM 0 H LEU B 117 -3.257 -3.199 -16.146 1.00 0.00 H new ATOM 0 HA LEU B 117 -0.825 -1.830 -15.450 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -3.213 -2.687 -14.122 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -1.835 -3.324 -13.247 1.00 0.00 H new ATOM 0 HG LEU B 117 -2.712 -0.503 -13.643 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -1.931 -0.342 -11.303 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -3.072 -1.690 -11.526 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -1.327 -2.013 -11.399 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -0.465 0.372 -13.126 1.00 0.00 H new ATOM 0 HD22 LEU B 117 0.203 -1.271 -13.275 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -0.504 -0.466 -14.696 1.00 0.00 H new ATOM 1448 N LYS B 118 -1.030 -5.105 -15.003 1.00 0.00 N ATOM 1449 CA LYS B 118 -0.272 -6.343 -14.873 1.00 0.00 C ATOM 1450 C LYS B 118 0.518 -6.632 -16.136 1.00 0.00 C ATOM 1451 O LYS B 118 1.548 -7.304 -16.102 1.00 0.00 O ATOM 1452 CB LYS B 118 -1.220 -7.498 -14.561 1.00 0.00 C ATOM 1453 CG LYS B 118 -2.299 -7.658 -15.610 1.00 0.00 C ATOM 1454 CD LYS B 118 -2.461 -9.123 -16.020 1.00 0.00 C ATOM 1455 CE LYS B 118 -2.832 -9.264 -17.489 1.00 0.00 C ATOM 1456 NZ LYS B 118 -3.677 -10.471 -17.752 1.00 0.00 N ATOM 0 H LYS B 118 -2.042 -5.235 -14.987 1.00 0.00 H new ATOM 0 HA LYS B 118 0.438 -6.231 -14.053 1.00 0.00 H new ATOM 0 HB2 LYS B 118 -0.649 -8.423 -14.487 1.00 0.00 H new ATOM 0 HB3 LYS B 118 -1.684 -7.331 -13.589 1.00 0.00 H new ATOM 0 HG2 LYS B 118 -3.245 -7.280 -15.223 1.00 0.00 H new ATOM 0 HG3 LYS B 118 -2.050 -7.058 -16.485 1.00 0.00 H new ATOM 0 HD2 LYS B 118 -1.531 -9.659 -15.827 1.00 0.00 H new ATOM 0 HD3 LYS B 118 -3.231 -9.589 -15.405 1.00 0.00 H new ATOM 0 HE2 LYS B 118 -3.368 -8.372 -17.813 1.00 0.00 H new ATOM 0 HE3 LYS B 118 -1.922 -9.324 -18.086 1.00 0.00 H new ATOM 0 HZ1 LYS B 118 -4.267 -10.305 -18.593 1.00 0.00 H new ATOM 0 HZ2 LYS B 118 -3.064 -11.295 -17.916 1.00 0.00 H new ATOM 0 HZ3 LYS B 118 -4.288 -10.652 -16.930 1.00 0.00 H new ATOM 1470 N ALA B 119 0.026 -6.099 -17.246 1.00 0.00 N ATOM 1471 CA ALA B 119 0.673 -6.265 -18.537 1.00 0.00 C ATOM 1472 C ALA B 119 2.123 -5.802 -18.459 1.00 0.00 C ATOM 1473 O ALA B 119 2.988 -6.298 -19.181 1.00 0.00 O ATOM 1474 CB ALA B 119 -0.079 -5.503 -19.620 1.00 0.00 C ATOM 0 H ALA B 119 -0.828 -5.543 -17.276 1.00 0.00 H new ATOM 0 HA ALA B 119 0.659 -7.323 -18.800 1.00 0.00 H new ATOM 0 HB1 ALA B 119 0.423 -5.641 -20.578 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -1.100 -5.879 -19.688 1.00 0.00 H new ATOM 0 HB3 ALA B 119 -0.099 -4.442 -19.371 1.00 0.00 H new ATOM 1480 N TYR B 120 2.374 -4.859 -17.551 1.00 0.00 N ATOM 1481 CA TYR B 120 3.707 -4.336 -17.334 1.00 0.00 C ATOM 1482 C TYR B 120 4.434 -5.194 -16.299 1.00 0.00 C ATOM 1483 O TYR B 120 5.572 -5.595 -16.533 1.00 0.00 O ATOM 1484 CB TYR B 120 3.641 -2.869 -16.877 1.00 0.00 C ATOM 1485 CG TYR B 120 2.916 -1.950 -17.843 1.00 0.00 C ATOM 1486 CD1 TYR B 120 2.867 -2.236 -19.205 1.00 0.00 C ATOM 1487 CD2 TYR B 120 2.279 -0.798 -17.395 1.00 0.00 C ATOM 1488 CE1 TYR B 120 2.208 -1.399 -20.087 1.00 0.00 C ATOM 1489 CE2 TYR B 120 1.618 0.039 -18.272 1.00 0.00 C ATOM 1490 CZ TYR B 120 1.586 -0.265 -19.615 1.00 0.00 C ATOM 1491 OH TYR B 120 0.933 0.571 -20.493 1.00 0.00 O ATOM 0 H TYR B 120 1.659 -4.444 -16.953 1.00 0.00 H new ATOM 0 HA TYR B 120 4.262 -4.372 -18.272 1.00 0.00 H new ATOM 0 HB2 TYR B 120 3.145 -2.824 -15.908 1.00 0.00 H new ATOM 0 HB3 TYR B 120 4.656 -2.499 -16.733 1.00 0.00 H new ATOM 0 HD1 TYR B 120 3.352 -3.126 -19.579 1.00 0.00 H new ATOM 0 HD2 TYR B 120 2.302 -0.554 -16.343 1.00 0.00 H new ATOM 0 HE1 TYR B 120 2.181 -1.634 -21.141 1.00 0.00 H new ATOM 0 HE2 TYR B 120 1.128 0.929 -17.906 1.00 0.00 H new ATOM 0 HH TYR B 120 0.546 1.325 -20.001 1.00 0.00 H new ATOM 1501 N ASP B 121 3.741 -5.485 -15.172 1.00 0.00 N ATOM 1502 CA ASP B 121 4.282 -6.323 -14.074 1.00 0.00 C ATOM 1503 C ASP B 121 3.813 -5.796 -12.716 1.00 0.00 C ATOM 1504 O ASP B 121 4.589 -5.713 -11.760 1.00 0.00 O ATOM 1505 CB ASP B 121 5.820 -6.377 -14.090 1.00 0.00 C ATOM 1506 CG ASP B 121 6.370 -7.649 -14.716 1.00 0.00 C ATOM 1507 OD1 ASP B 121 5.583 -8.588 -14.970 1.00 0.00 O ATOM 1508 OD2 ASP B 121 7.596 -7.708 -14.942 1.00 0.00 O ATOM 0 H ASP B 121 2.794 -5.147 -14.998 1.00 0.00 H new ATOM 0 HA ASP B 121 3.903 -7.333 -14.232 1.00 0.00 H new ATOM 0 HB2 ASP B 121 6.201 -5.516 -14.639 1.00 0.00 H new ATOM 0 HB3 ASP B 121 6.190 -6.293 -13.068 1.00 0.00 H new ATOM 1513 N VAL B 122 2.549 -5.406 -12.645 1.00 0.00 N ATOM 1514 CA VAL B 122 1.990 -4.847 -11.431 1.00 0.00 C ATOM 1515 C VAL B 122 0.476 -4.926 -11.426 1.00 0.00 C ATOM 1516 O VAL B 122 -0.220 -3.999 -11.836 1.00 0.00 O ATOM 1517 CB VAL B 122 2.480 -3.390 -11.290 1.00 0.00 C ATOM 1518 CG1 VAL B 122 1.767 -2.444 -12.251 1.00 0.00 C ATOM 1519 CG2 VAL B 122 2.356 -2.905 -9.855 1.00 0.00 C ATOM 0 H VAL B 122 1.890 -5.469 -13.421 1.00 0.00 H new ATOM 0 HA VAL B 122 2.330 -5.430 -10.575 1.00 0.00 H new ATOM 0 HB VAL B 122 3.536 -3.384 -11.562 1.00 0.00 H new ATOM 0 HG11 VAL B 122 2.146 -1.431 -12.113 1.00 0.00 H new ATOM 0 HG12 VAL B 122 1.949 -2.763 -13.277 1.00 0.00 H new ATOM 0 HG13 VAL B 122 0.696 -2.461 -12.050 1.00 0.00 H new ATOM 0 HG21 VAL B 122 2.709 -1.876 -9.787 1.00 0.00 H new ATOM 0 HG22 VAL B 122 1.312 -2.952 -9.544 1.00 0.00 H new ATOM 0 HG23 VAL B 122 2.958 -3.539 -9.204 1.00 0.00 H new ATOM 1529 N ASN B 123 -0.034 -6.053 -10.948 1.00 0.00 N ATOM 1530 CA ASN B 123 -1.466 -6.244 -10.867 1.00 0.00 C ATOM 1531 C ASN B 123 -2.026 -5.199 -9.896 1.00 0.00 C ATOM 1532 O ASN B 123 -2.189 -4.039 -10.268 1.00 0.00 O ATOM 1533 CB ASN B 123 -1.805 -7.692 -10.449 1.00 0.00 C ATOM 1534 CG ASN B 123 -0.860 -8.710 -11.063 1.00 0.00 C ATOM 1535 OD1 ASN B 123 0.306 -8.785 -10.686 1.00 0.00 O ATOM 1536 ND2 ASN B 123 -1.347 -9.491 -12.018 1.00 0.00 N ATOM 0 H ASN B 123 0.522 -6.840 -10.614 1.00 0.00 H new ATOM 0 HA ASN B 123 -1.931 -6.102 -11.842 1.00 0.00 H new ATOM 0 HB2 ASN B 123 -1.765 -7.772 -9.363 1.00 0.00 H new ATOM 0 HB3 ASN B 123 -2.827 -7.923 -10.748 1.00 0.00 H new ATOM 0 HD21 ASN B 123 -0.747 -10.184 -12.466 1.00 0.00 H new ATOM 0 HD22 ASN B 123 -2.322 -9.399 -12.304 1.00 0.00 H new ATOM 1543 N ILE B 124 -2.301 -5.576 -8.655 1.00 0.00 N ATOM 1544 CA ILE B 124 -2.828 -4.600 -7.706 1.00 0.00 C ATOM 1545 C ILE B 124 -2.395 -4.812 -6.264 1.00 0.00 C ATOM 1546 O ILE B 124 -2.905 -4.121 -5.383 1.00 0.00 O ATOM 1547 CB ILE B 124 -4.369 -4.532 -7.717 1.00 0.00 C ATOM 1548 CG1 ILE B 124 -4.960 -5.600 -8.614 1.00 0.00 C ATOM 1549 CG2 ILE B 124 -4.839 -3.160 -8.155 1.00 0.00 C ATOM 1550 CD1 ILE B 124 -4.535 -6.982 -8.209 1.00 0.00 C ATOM 0 H ILE B 124 -2.174 -6.519 -8.288 1.00 0.00 H new ATOM 0 HA ILE B 124 -2.396 -3.665 -8.062 1.00 0.00 H new ATOM 0 HB ILE B 124 -4.716 -4.714 -6.700 1.00 0.00 H new ATOM 0 HG12 ILE B 124 -6.048 -5.534 -8.586 1.00 0.00 H new ATOM 0 HG13 ILE B 124 -4.656 -5.416 -9.644 1.00 0.00 H new ATOM 0 HG21 ILE B 124 -5.929 -3.132 -8.156 1.00 0.00 H new ATOM 0 HG22 ILE B 124 -4.457 -2.407 -7.465 1.00 0.00 H new ATOM 0 HG23 ILE B 124 -4.469 -2.952 -9.159 1.00 0.00 H new ATOM 0 HD11 ILE B 124 -4.984 -7.713 -8.882 1.00 0.00 H new ATOM 0 HD12 ILE B 124 -3.449 -7.059 -8.263 1.00 0.00 H new ATOM 0 HD13 ILE B 124 -4.863 -7.179 -7.188 1.00 0.00 H new ATOM 1562 N SER B 125 -1.519 -5.780 -5.999 1.00 0.00 N ATOM 1563 CA SER B 125 -1.134 -6.061 -4.606 1.00 0.00 C ATOM 1564 C SER B 125 -0.979 -4.758 -3.803 1.00 0.00 C ATOM 1565 O SER B 125 -1.767 -4.476 -2.882 1.00 0.00 O ATOM 1566 CB SER B 125 0.160 -6.867 -4.548 1.00 0.00 C ATOM 1567 OG SER B 125 0.193 -7.683 -3.389 1.00 0.00 O ATOM 0 H SER B 125 -1.072 -6.369 -6.701 1.00 0.00 H new ATOM 0 HA SER B 125 -1.932 -6.653 -4.158 1.00 0.00 H new ATOM 0 HB2 SER B 125 0.247 -7.489 -5.439 1.00 0.00 H new ATOM 0 HB3 SER B 125 1.015 -6.191 -4.547 1.00 0.00 H new ATOM 0 HG SER B 125 1.030 -8.193 -3.372 1.00 0.00 H new ATOM 1573 N GLY B 126 0.000 -3.941 -4.192 1.00 0.00 N ATOM 1574 CA GLY B 126 0.211 -2.658 -3.538 1.00 0.00 C ATOM 1575 C GLY B 126 -0.624 -1.563 -4.176 1.00 0.00 C ATOM 1576 O GLY B 126 -0.897 -0.532 -3.554 1.00 0.00 O ATOM 0 H GLY B 126 0.652 -4.145 -4.950 1.00 0.00 H new ATOM 0 HA2 GLY B 126 -0.043 -2.741 -2.481 1.00 0.00 H new ATOM 0 HA3 GLY B 126 1.266 -2.390 -3.592 1.00 0.00 H new ATOM 1580 N LEU B 127 -1.032 -1.795 -5.425 1.00 0.00 N ATOM 1581 CA LEU B 127 -1.841 -0.858 -6.169 1.00 0.00 C ATOM 1582 C LEU B 127 -3.206 -0.682 -5.518 1.00 0.00 C ATOM 1583 O LEU B 127 -3.583 0.440 -5.164 1.00 0.00 O ATOM 1584 CB LEU B 127 -2.014 -1.360 -7.599 1.00 0.00 C ATOM 1585 CG LEU B 127 -2.143 -0.297 -8.683 1.00 0.00 C ATOM 1586 CD1 LEU B 127 -3.479 -0.455 -9.378 1.00 0.00 C ATOM 1587 CD2 LEU B 127 -1.991 1.098 -8.106 1.00 0.00 C ATOM 0 H LEU B 127 -0.804 -2.645 -5.941 1.00 0.00 H new ATOM 0 HA LEU B 127 -1.337 0.108 -6.175 1.00 0.00 H new ATOM 0 HB2 LEU B 127 -1.162 -1.994 -7.843 1.00 0.00 H new ATOM 0 HB3 LEU B 127 -2.902 -1.992 -7.634 1.00 0.00 H new ATOM 0 HG LEU B 127 -1.342 -0.432 -9.410 1.00 0.00 H new ATOM 0 HD11 LEU B 127 -3.577 0.303 -10.155 1.00 0.00 H new ATOM 0 HD12 LEU B 127 -3.540 -1.446 -9.828 1.00 0.00 H new ATOM 0 HD13 LEU B 127 -4.283 -0.336 -8.652 1.00 0.00 H new ATOM 0 HD21 LEU B 127 -2.088 1.834 -8.904 1.00 0.00 H new ATOM 0 HD22 LEU B 127 -2.766 1.269 -7.358 1.00 0.00 H new ATOM 0 HD23 LEU B 127 -1.010 1.194 -7.641 1.00 0.00 H new ATOM 1599 N VAL B 128 -3.948 -1.790 -5.340 1.00 0.00 N ATOM 1600 CA VAL B 128 -5.245 -1.705 -4.714 1.00 0.00 C ATOM 1601 C VAL B 128 -5.098 -1.064 -3.346 1.00 0.00 C ATOM 1602 O VAL B 128 -5.645 -0.006 -3.098 1.00 0.00 O ATOM 1603 CB VAL B 128 -5.896 -3.096 -4.606 1.00 0.00 C ATOM 1604 CG1 VAL B 128 -6.806 -3.195 -3.393 1.00 0.00 C ATOM 1605 CG2 VAL B 128 -6.656 -3.401 -5.886 1.00 0.00 C ATOM 0 H VAL B 128 -3.664 -2.729 -5.620 1.00 0.00 H new ATOM 0 HA VAL B 128 -5.900 -1.088 -5.329 1.00 0.00 H new ATOM 0 HB VAL B 128 -5.109 -3.838 -4.473 1.00 0.00 H new ATOM 0 HG11 VAL B 128 -7.248 -4.191 -3.350 1.00 0.00 H new ATOM 0 HG12 VAL B 128 -6.226 -3.016 -2.488 1.00 0.00 H new ATOM 0 HG13 VAL B 128 -7.598 -2.450 -3.470 1.00 0.00 H new ATOM 0 HG21 VAL B 128 -7.117 -4.386 -5.810 1.00 0.00 H new ATOM 0 HG22 VAL B 128 -7.430 -2.649 -6.038 1.00 0.00 H new ATOM 0 HG23 VAL B 128 -5.967 -3.387 -6.730 1.00 0.00 H new ATOM 1615 N SER B 129 -4.331 -1.705 -2.479 1.00 0.00 N ATOM 1616 CA SER B 129 -4.098 -1.213 -1.130 1.00 0.00 C ATOM 1617 C SER B 129 -3.743 0.278 -1.112 1.00 0.00 C ATOM 1618 O SER B 129 -4.218 1.014 -0.240 1.00 0.00 O ATOM 1619 CB SER B 129 -2.959 -2.020 -0.505 1.00 0.00 C ATOM 1620 OG SER B 129 -1.968 -2.347 -1.469 1.00 0.00 O ATOM 0 H SER B 129 -3.852 -2.581 -2.690 1.00 0.00 H new ATOM 0 HA SER B 129 -5.018 -1.334 -0.558 1.00 0.00 H new ATOM 0 HB2 SER B 129 -2.507 -1.447 0.305 1.00 0.00 H new ATOM 0 HB3 SER B 129 -3.357 -2.934 -0.065 1.00 0.00 H new ATOM 0 HG SER B 129 -2.147 -3.239 -1.832 1.00 0.00 H new ATOM 1626 N THR B 130 -2.956 0.746 -2.079 1.00 0.00 N ATOM 1627 CA THR B 130 -2.618 2.159 -2.137 1.00 0.00 C ATOM 1628 C THR B 130 -3.841 2.949 -2.547 1.00 0.00 C ATOM 1629 O THR B 130 -4.187 3.950 -1.917 1.00 0.00 O ATOM 1630 CB THR B 130 -1.492 2.433 -3.129 1.00 0.00 C ATOM 1631 OG1 THR B 130 -0.322 1.724 -2.770 1.00 0.00 O ATOM 1632 CG2 THR B 130 -1.137 3.904 -3.217 1.00 0.00 C ATOM 0 H THR B 130 -2.548 0.175 -2.820 1.00 0.00 H new ATOM 0 HA THR B 130 -2.278 2.462 -1.147 1.00 0.00 H new ATOM 0 HB THR B 130 -1.863 2.101 -4.099 1.00 0.00 H new ATOM 0 HG1 THR B 130 -0.508 0.762 -2.774 1.00 0.00 H new ATOM 0 HG21 THR B 130 -0.330 4.041 -3.937 1.00 0.00 H new ATOM 0 HG22 THR B 130 -2.011 4.471 -3.539 1.00 0.00 H new ATOM 0 HG23 THR B 130 -0.814 4.260 -2.239 1.00 0.00 H new ATOM 1640 N THR B 131 -4.502 2.495 -3.608 1.00 0.00 N ATOM 1641 CA THR B 131 -5.685 3.182 -4.078 1.00 0.00 C ATOM 1642 C THR B 131 -6.822 3.080 -3.061 1.00 0.00 C ATOM 1643 O THR B 131 -7.619 4.011 -2.917 1.00 0.00 O ATOM 1644 CB THR B 131 -6.131 2.685 -5.454 1.00 0.00 C ATOM 1645 OG1 THR B 131 -6.466 3.790 -6.281 1.00 0.00 O ATOM 1646 CG2 THR B 131 -7.333 1.763 -5.417 1.00 0.00 C ATOM 0 H THR B 131 -4.239 1.669 -4.146 1.00 0.00 H new ATOM 0 HA THR B 131 -5.421 4.234 -4.188 1.00 0.00 H new ATOM 0 HB THR B 131 -5.286 2.118 -5.846 1.00 0.00 H new ATOM 0 HG1 THR B 131 -6.999 3.479 -7.042 1.00 0.00 H new ATOM 0 HG21 THR B 131 -7.586 1.455 -6.431 1.00 0.00 H new ATOM 0 HG22 THR B 131 -7.098 0.883 -4.818 1.00 0.00 H new ATOM 0 HG23 THR B 131 -8.180 2.287 -4.975 1.00 0.00 H new ATOM 1654 N MET B 132 -6.872 1.968 -2.322 1.00 0.00 N ATOM 1655 CA MET B 132 -7.879 1.783 -1.301 1.00 0.00 C ATOM 1656 C MET B 132 -7.678 2.795 -0.194 1.00 0.00 C ATOM 1657 O MET B 132 -8.575 3.549 0.105 1.00 0.00 O ATOM 1658 CB MET B 132 -7.826 0.365 -0.737 1.00 0.00 C ATOM 1659 CG MET B 132 -7.981 -0.700 -1.800 1.00 0.00 C ATOM 1660 SD MET B 132 -9.679 -0.926 -2.318 1.00 0.00 S ATOM 1661 CE MET B 132 -9.727 -2.698 -2.434 1.00 0.00 C ATOM 0 H MET B 132 -6.222 1.188 -2.420 1.00 0.00 H new ATOM 0 HA MET B 132 -8.861 1.933 -1.750 1.00 0.00 H new ATOM 0 HB2 MET B 132 -6.877 0.220 -0.221 1.00 0.00 H new ATOM 0 HB3 MET B 132 -8.614 0.246 0.006 1.00 0.00 H new ATOM 0 HG2 MET B 132 -7.375 -0.433 -2.666 1.00 0.00 H new ATOM 0 HG3 MET B 132 -7.594 -1.645 -1.419 1.00 0.00 H new ATOM 0 HE1 MET B 132 -10.731 -3.051 -2.200 1.00 0.00 H new ATOM 0 HE2 MET B 132 -9.462 -3.004 -3.446 1.00 0.00 H new ATOM 0 HE3 MET B 132 -9.018 -3.128 -1.727 1.00 0.00 H new ATOM 1671 N GLN B 133 -6.497 2.817 0.418 1.00 0.00 N ATOM 1672 CA GLN B 133 -6.225 3.760 1.505 1.00 0.00 C ATOM 1673 C GLN B 133 -6.630 5.186 1.134 1.00 0.00 C ATOM 1674 O GLN B 133 -7.129 5.924 1.984 1.00 0.00 O ATOM 1675 CB GLN B 133 -4.739 3.696 1.900 1.00 0.00 C ATOM 1676 CG GLN B 133 -4.001 5.038 1.905 1.00 0.00 C ATOM 1677 CD GLN B 133 -4.000 5.711 3.266 1.00 0.00 C ATOM 1678 OE1 GLN B 133 -2.953 5.883 3.888 1.00 0.00 O ATOM 1679 NE2 GLN B 133 -5.172 6.106 3.738 1.00 0.00 N ATOM 0 H GLN B 133 -5.719 2.200 0.185 1.00 0.00 H new ATOM 0 HA GLN B 133 -6.831 3.468 2.363 1.00 0.00 H new ATOM 0 HB2 GLN B 133 -4.664 3.256 2.894 1.00 0.00 H new ATOM 0 HB3 GLN B 133 -4.227 3.022 1.213 1.00 0.00 H new ATOM 0 HG2 GLN B 133 -2.972 4.881 1.583 1.00 0.00 H new ATOM 0 HG3 GLN B 133 -4.465 5.704 1.177 1.00 0.00 H new ATOM 0 HE21 GLN B 133 -6.020 5.947 3.195 1.00 0.00 H new ATOM 0 HE22 GLN B 133 -5.227 6.569 4.645 1.00 0.00 H new ATOM 1688 N ASN B 134 -6.429 5.571 -0.120 1.00 0.00 N ATOM 1689 CA ASN B 134 -6.796 6.914 -0.560 1.00 0.00 C ATOM 1690 C ASN B 134 -8.310 7.041 -0.727 1.00 0.00 C ATOM 1691 O ASN B 134 -8.900 8.038 -0.304 1.00 0.00 O ATOM 1692 CB ASN B 134 -6.068 7.261 -1.867 1.00 0.00 C ATOM 1693 CG ASN B 134 -4.703 7.877 -1.644 1.00 0.00 C ATOM 1694 OD1 ASN B 134 -4.479 8.593 -0.672 1.00 0.00 O ATOM 1695 ND2 ASN B 134 -3.779 7.599 -2.554 1.00 0.00 N ATOM 0 H ASN B 134 -6.019 4.981 -0.844 1.00 0.00 H new ATOM 0 HA ASN B 134 -6.487 7.625 0.207 1.00 0.00 H new ATOM 0 HB2 ASN B 134 -5.958 6.356 -2.465 1.00 0.00 H new ATOM 0 HB3 ASN B 134 -6.682 7.952 -2.445 1.00 0.00 H new ATOM 0 HD21 ASN B 134 -2.839 7.985 -2.461 1.00 0.00 H new ATOM 0 HD22 ASN B 134 -4.008 6.999 -3.347 1.00 0.00 H new ATOM 1702 N GLU B 135 -8.944 6.016 -1.291 1.00 0.00 N ATOM 1703 CA GLU B 135 -10.397 6.022 -1.455 1.00 0.00 C ATOM 1704 C GLU B 135 -11.092 5.541 -0.176 1.00 0.00 C ATOM 1705 O GLU B 135 -12.297 5.723 -0.007 1.00 0.00 O ATOM 1706 CB GLU B 135 -10.804 5.160 -2.655 1.00 0.00 C ATOM 1707 CG GLU B 135 -10.842 5.929 -3.973 1.00 0.00 C ATOM 1708 CD GLU B 135 -11.229 7.387 -3.801 1.00 0.00 C ATOM 1709 OE1 GLU B 135 -12.440 7.686 -3.834 1.00 0.00 O ATOM 1710 OE2 GLU B 135 -10.322 8.227 -3.626 1.00 0.00 O ATOM 0 H GLU B 135 -8.480 5.177 -1.640 1.00 0.00 H new ATOM 0 HA GLU B 135 -10.717 7.047 -1.645 1.00 0.00 H new ATOM 0 HB2 GLU B 135 -10.105 4.329 -2.749 1.00 0.00 H new ATOM 0 HB3 GLU B 135 -11.788 4.730 -2.466 1.00 0.00 H new ATOM 0 HG2 GLU B 135 -9.862 5.873 -4.448 1.00 0.00 H new ATOM 0 HG3 GLU B 135 -11.551 5.448 -4.647 1.00 0.00 H new ATOM 1717 N ALA B 136 -10.309 4.964 0.735 1.00 0.00 N ATOM 1718 CA ALA B 136 -10.794 4.483 2.019 1.00 0.00 C ATOM 1719 C ALA B 136 -10.755 5.618 3.028 1.00 0.00 C ATOM 1720 O ALA B 136 -11.558 5.668 3.952 1.00 0.00 O ATOM 1721 CB ALA B 136 -9.936 3.324 2.497 1.00 0.00 C ATOM 0 H ALA B 136 -9.309 4.818 0.596 1.00 0.00 H new ATOM 0 HA ALA B 136 -11.821 4.133 1.912 1.00 0.00 H new ATOM 0 HB1 ALA B 136 -10.306 2.970 3.459 1.00 0.00 H new ATOM 0 HB2 ALA B 136 -9.982 2.513 1.770 1.00 0.00 H new ATOM 0 HB3 ALA B 136 -8.904 3.656 2.605 1.00 0.00 H new ATOM 1727 N ARG B 137 -9.808 6.534 2.827 1.00 0.00 N ATOM 1728 CA ARG B 137 -9.666 7.693 3.687 1.00 0.00 C ATOM 1729 C ARG B 137 -10.649 8.760 3.284 1.00 0.00 C ATOM 1730 O ARG B 137 -11.325 9.365 4.115 1.00 0.00 O ATOM 1731 CB ARG B 137 -8.292 8.301 3.538 1.00 0.00 C ATOM 1732 CG ARG B 137 -7.433 8.151 4.765 1.00 0.00 C ATOM 1733 CD ARG B 137 -8.079 8.822 5.961 1.00 0.00 C ATOM 1734 NE ARG B 137 -7.152 8.951 7.085 1.00 0.00 N ATOM 1735 CZ ARG B 137 -7.364 9.728 8.139 1.00 0.00 C ATOM 1736 NH1 ARG B 137 -8.493 10.402 8.256 1.00 0.00 N ATOM 1737 NH2 ARG B 137 -6.449 9.818 9.081 1.00 0.00 N ATOM 0 H ARG B 137 -9.127 6.489 2.069 1.00 0.00 H new ATOM 0 HA ARG B 137 -9.836 7.360 4.711 1.00 0.00 H new ATOM 0 HB2 ARG B 137 -7.787 7.835 2.692 1.00 0.00 H new ATOM 0 HB3 ARG B 137 -8.396 9.361 3.304 1.00 0.00 H new ATOM 0 HG2 ARG B 137 -7.276 7.093 4.977 1.00 0.00 H new ATOM 0 HG3 ARG B 137 -6.452 8.589 4.583 1.00 0.00 H new ATOM 0 HD2 ARG B 137 -8.438 9.810 5.672 1.00 0.00 H new ATOM 0 HD3 ARG B 137 -8.950 8.245 6.274 1.00 0.00 H new ATOM 0 HE ARG B 137 -6.288 8.409 7.057 1.00 0.00 H new ATOM 0 HH11 ARG B 137 -9.209 10.327 7.533 1.00 0.00 H new ATOM 0 HH12 ARG B 137 -8.649 10.998 9.069 1.00 0.00 H new ATOM 0 HH21 ARG B 137 -5.579 9.291 8.999 1.00 0.00 H new ATOM 0 HH22 ARG B 137 -6.609 10.415 9.893 1.00 0.00 H new ATOM 1751 N ARG B 138 -10.667 9.011 1.985 1.00 0.00 N ATOM 1752 CA ARG B 138 -11.513 10.039 1.423 1.00 0.00 C ATOM 1753 C ARG B 138 -12.985 9.595 1.277 1.00 0.00 C ATOM 1754 O ARG B 138 -13.891 10.392 1.519 1.00 0.00 O ATOM 1755 CB ARG B 138 -10.960 10.485 0.064 1.00 0.00 C ATOM 1756 CG ARG B 138 -11.770 11.587 -0.605 1.00 0.00 C ATOM 1757 CD ARG B 138 -11.301 12.973 -0.185 1.00 0.00 C ATOM 1758 NE ARG B 138 -11.383 13.931 -1.293 1.00 0.00 N ATOM 1759 CZ ARG B 138 -11.476 15.250 -1.149 1.00 0.00 C ATOM 1760 NH1 ARG B 138 -11.455 15.802 0.049 1.00 0.00 N ATOM 1761 NH2 ARG B 138 -11.574 16.018 -2.216 1.00 0.00 N ATOM 0 H ARG B 138 -10.100 8.511 1.300 1.00 0.00 H new ATOM 0 HA ARG B 138 -11.505 10.875 2.122 1.00 0.00 H new ATOM 0 HB2 ARG B 138 -9.935 10.832 0.197 1.00 0.00 H new ATOM 0 HB3 ARG B 138 -10.921 9.622 -0.601 1.00 0.00 H new ATOM 0 HG2 ARG B 138 -11.690 11.490 -1.688 1.00 0.00 H new ATOM 0 HG3 ARG B 138 -12.823 11.468 -0.351 1.00 0.00 H new ATOM 0 HD2 ARG B 138 -11.909 13.326 0.648 1.00 0.00 H new ATOM 0 HD3 ARG B 138 -10.273 12.917 0.172 1.00 0.00 H new ATOM 0 HE ARG B 138 -11.368 13.559 -2.242 1.00 0.00 H new ATOM 0 HH11 ARG B 138 -11.367 15.216 0.879 1.00 0.00 H new ATOM 0 HH12 ARG B 138 -11.527 16.815 0.145 1.00 0.00 H new ATOM 0 HH21 ARG B 138 -11.578 15.600 -3.146 1.00 0.00 H new ATOM 0 HH22 ARG B 138 -11.646 17.030 -2.111 1.00 0.00 H new