USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=25 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: B 133 GLN : amide:sc= 0.633 K(o=1.7,f=-1.5) USER MOD Set 1.2: B 134 ASN : amide:sc= 1.02 K(o=1.7,f=-3.2) USER MOD Set 2.1: A 3 GLN : amide:sc= -0.698 K(o=-2.4,f=-31!) USER MOD Set 2.2: B 115 GLN : amide:sc= -2.91! C(o=-2.4!,f=-16!) USER MOD Set 2.3: B 118 LYS NZ :NH3+ 163:sc= 1.2 (180deg=0) USER MOD Set 3.1: B 114 TYR OH : rot -10:sc= -0.759! USER MOD Set 3.2: B 123 ASN : amide:sc= -0.605! C(o=-1.4!,f=-8.9!) USER MOD Set 4.1: A 6 THR OG1 : rot 58:sc= -3.93! USER MOD Set 4.2: B 106 THR OG1 : rot 110:sc= -1.73 USER MOD Set 5.1: A 31 THR OG1 : rot -114:sc= -1.33 USER MOD Set 5.2: B 131 THR OG1 : rot 81:sc= -2.31! USER MOD Set 6.1: A 14 TYR OH : rot 110:sc= -1.79! USER MOD Set 6.2: A 18 LYS NZ :NH3+ 162:sc= 0.382 (180deg=0.00372) USER MOD Set 6.3: B 103 GLN : amide:sc= -0.518 K(o=-1.9,f=-15!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 49:sc= 0.162 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 130:sc= -0.462 USER MOD Single : A 15 GLN : amide:sc= -0.37 X(o=-0.37,f=-0.14) USER MOD Single : A 20 TYR OH : rot -137:sc= 1.19 USER MOD Single : A 23 ASN : amide:sc= -0.746 K(o=-0.75,f=-1.7!) USER MOD Single : A 25 SER OG : rot 180:sc= -0.234 USER MOD Single : A 29 SER OG : rot -127:sc= -0.944 USER MOD Single : A 30 THR OG1 : rot 59:sc= 1 USER MOD Single : A 32 MET CE :methyl 178:sc= -17.6! (180deg=-17.8!) USER MOD Single : A 33 GLN : amide:sc= -0.731 K(o=-0.73,f=-1.9!) USER MOD Single : A 34 ASN : amide:sc= -0.268 K(o=-0.27,f=-2.5!) USER MOD Single : B 102 LYS NZ :NH3+ 162:sc= -0.704 (180deg=-1.71) USER MOD Single : B 108 THR OG1 : rot 49:sc= 0.0583 USER MOD Single : B 111 SER OG : rot 180:sc= 0 USER MOD Single : B 113 SER OG : rot 140:sc= -0.235 USER MOD Single : B 120 TYR OH : rot 160:sc= 1.02 USER MOD Single : B 125 SER OG : rot 180:sc= 0 USER MOD Single : B 129 SER OG : rot -126:sc= 0.2 USER MOD Single : B 130 THR OG1 : rot 180:sc= 0 USER MOD Single : B 132 MET CE :methyl 164:sc= -16.1! (180deg=-17.6!) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -13.844 -14.039 -17.514 1.00 0.00 N ATOM 21 CA LYS A 2 -13.146 -12.895 -16.911 1.00 0.00 C ATOM 22 C LYS A 2 -11.832 -13.321 -16.243 1.00 0.00 C ATOM 23 O LYS A 2 -11.632 -14.495 -15.927 1.00 0.00 O ATOM 24 CB LYS A 2 -14.049 -12.177 -15.896 1.00 0.00 C ATOM 25 CG LYS A 2 -15.388 -11.735 -16.472 1.00 0.00 C ATOM 26 CD LYS A 2 -15.379 -10.259 -16.847 1.00 0.00 C ATOM 27 CE LYS A 2 -16.437 -9.941 -17.893 1.00 0.00 C ATOM 28 NZ LYS A 2 -15.955 -8.930 -18.881 1.00 0.00 N ATOM 0 HA LYS A 2 -12.903 -12.203 -17.717 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -14.229 -12.840 -15.050 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -13.524 -11.304 -15.510 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -15.621 -12.333 -17.353 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -16.177 -11.921 -15.743 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -15.554 -9.656 -15.956 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -14.395 -9.986 -17.229 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -16.717 -10.855 -18.416 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -17.335 -9.568 -17.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -16.704 -8.740 -19.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -15.712 -8.049 -18.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -15.113 -9.296 -19.370 1.00 0.00 H new ATOM 42 N GLN A 3 -10.946 -12.352 -16.020 1.00 0.00 N ATOM 43 CA GLN A 3 -9.658 -12.618 -15.381 1.00 0.00 C ATOM 44 C GLN A 3 -9.717 -12.268 -13.908 1.00 0.00 C ATOM 45 O GLN A 3 -9.743 -11.097 -13.526 1.00 0.00 O ATOM 46 CB GLN A 3 -8.509 -11.848 -16.072 1.00 0.00 C ATOM 47 CG GLN A 3 -7.313 -11.553 -15.158 1.00 0.00 C ATOM 48 CD GLN A 3 -5.986 -12.056 -15.702 1.00 0.00 C ATOM 49 OE1 GLN A 3 -5.392 -11.453 -16.599 1.00 0.00 O ATOM 50 NE2 GLN A 3 -5.499 -13.152 -15.146 1.00 0.00 N ATOM 0 H GLN A 3 -11.096 -11.375 -16.272 1.00 0.00 H new ATOM 0 HA GLN A 3 -9.451 -13.683 -15.484 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -8.163 -12.426 -16.929 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -8.898 -10.906 -16.458 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -7.246 -10.477 -15.000 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -7.491 -12.008 -14.184 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -6.020 -13.623 -14.406 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -4.603 -13.526 -15.457 1.00 0.00 H new ATOM 59 N ARG A 4 -9.749 -13.293 -13.082 1.00 0.00 N ATOM 60 CA ARG A 4 -9.823 -13.091 -11.653 1.00 0.00 C ATOM 61 C ARG A 4 -8.474 -12.744 -11.053 1.00 0.00 C ATOM 62 O ARG A 4 -7.628 -13.611 -10.822 1.00 0.00 O ATOM 63 CB ARG A 4 -10.387 -14.316 -10.962 1.00 0.00 C ATOM 64 CG ARG A 4 -11.482 -13.976 -9.977 1.00 0.00 C ATOM 65 CD ARG A 4 -12.130 -15.237 -9.431 1.00 0.00 C ATOM 66 NE ARG A 4 -13.572 -15.302 -9.733 1.00 0.00 N ATOM 67 CZ ARG A 4 -14.082 -15.581 -10.935 1.00 0.00 C ATOM 68 NH1 ARG A 4 -13.293 -15.840 -11.958 1.00 0.00 N ATOM 69 NH2 ARG A 4 -15.388 -15.606 -11.109 1.00 0.00 N ATOM 0 H ARG A 4 -9.725 -14.270 -13.375 1.00 0.00 H new ATOM 0 HA ARG A 4 -10.491 -12.245 -11.492 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -10.779 -15.003 -11.712 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -9.584 -14.837 -10.441 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -11.069 -13.390 -9.156 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -12.235 -13.357 -10.464 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -11.633 -16.110 -9.854 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -11.985 -15.279 -8.351 1.00 0.00 H new ATOM 0 HE ARG A 4 -14.225 -15.121 -8.971 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -12.280 -15.829 -11.837 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -13.695 -16.052 -12.871 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -16.011 -15.412 -10.325 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -15.776 -15.819 -12.028 1.00 0.00 H new ATOM 83 N ILE A 5 -8.319 -11.472 -10.745 1.00 0.00 N ATOM 84 CA ILE A 5 -7.120 -10.984 -10.099 1.00 0.00 C ATOM 85 C ILE A 5 -7.434 -10.839 -8.645 1.00 0.00 C ATOM 86 O ILE A 5 -8.467 -10.254 -8.281 1.00 0.00 O ATOM 87 CB ILE A 5 -6.662 -9.631 -10.649 1.00 0.00 C ATOM 88 CG1 ILE A 5 -7.520 -8.499 -10.069 1.00 0.00 C ATOM 89 CG2 ILE A 5 -6.741 -9.672 -12.163 1.00 0.00 C ATOM 90 CD1 ILE A 5 -7.073 -7.115 -10.472 1.00 0.00 C ATOM 0 H ILE A 5 -9.017 -10.752 -10.935 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.309 -11.689 -10.282 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.631 -9.435 -10.354 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -8.553 -8.642 -10.387 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -7.508 -8.570 -8.981 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.418 -8.714 -12.570 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -6.094 -10.464 -12.540 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -7.769 -9.868 -12.469 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.732 -6.374 -10.020 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.051 -6.949 -10.130 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -7.112 -7.022 -11.557 1.00 0.00 H new ATOM 102 N THR A 6 -6.614 -11.395 -7.799 1.00 0.00 N ATOM 103 CA THR A 6 -6.923 -11.304 -6.407 1.00 0.00 C ATOM 104 C THR A 6 -5.735 -10.871 -5.529 1.00 0.00 C ATOM 105 O THR A 6 -4.701 -11.538 -5.497 1.00 0.00 O ATOM 106 CB THR A 6 -7.600 -12.611 -5.937 1.00 0.00 C ATOM 107 OG1 THR A 6 -7.165 -12.964 -4.644 1.00 0.00 O ATOM 108 CG2 THR A 6 -7.384 -13.815 -6.851 1.00 0.00 C ATOM 0 H THR A 6 -5.759 -11.897 -8.038 1.00 0.00 H new ATOM 0 HA THR A 6 -7.636 -10.490 -6.278 1.00 0.00 H new ATOM 0 HB THR A 6 -8.665 -12.379 -5.955 1.00 0.00 H new ATOM 0 HG1 THR A 6 -7.357 -12.231 -4.023 1.00 0.00 H new ATOM 0 HG21 THR A 6 -7.897 -14.683 -6.437 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.783 -13.596 -7.841 1.00 0.00 H new ATOM 0 HG23 THR A 6 -6.318 -14.027 -6.928 1.00 0.00 H new ATOM 116 N VAL A 7 -5.933 -9.782 -4.753 1.00 0.00 N ATOM 117 CA VAL A 7 -4.933 -9.283 -3.794 1.00 0.00 C ATOM 118 C VAL A 7 -5.341 -9.760 -2.406 1.00 0.00 C ATOM 119 O VAL A 7 -6.261 -9.203 -1.807 1.00 0.00 O ATOM 120 CB VAL A 7 -4.798 -7.712 -3.783 1.00 0.00 C ATOM 121 CG1 VAL A 7 -6.141 -7.021 -3.885 1.00 0.00 C ATOM 122 CG2 VAL A 7 -4.048 -7.202 -2.537 1.00 0.00 C ATOM 0 H VAL A 7 -6.789 -9.229 -4.777 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.960 -9.672 -4.095 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.212 -7.460 -4.667 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.996 -5.941 -3.873 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.630 -7.312 -4.815 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.765 -7.312 -3.040 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -3.979 -6.115 -2.573 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -4.588 -7.502 -1.639 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.045 -7.628 -2.516 1.00 0.00 H new ATOM 132 N THR A 8 -4.700 -10.798 -1.898 1.00 0.00 N ATOM 133 CA THR A 8 -5.054 -11.315 -0.588 1.00 0.00 C ATOM 134 C THR A 8 -4.636 -10.327 0.510 1.00 0.00 C ATOM 135 O THR A 8 -3.591 -10.468 1.132 1.00 0.00 O ATOM 136 CB THR A 8 -4.439 -12.698 -0.378 1.00 0.00 C ATOM 137 OG1 THR A 8 -3.043 -12.697 -0.619 1.00 0.00 O ATOM 138 CG2 THR A 8 -5.059 -13.765 -1.248 1.00 0.00 C ATOM 0 H THR A 8 -3.941 -11.294 -2.365 1.00 0.00 H new ATOM 0 HA THR A 8 -6.137 -11.426 -0.530 1.00 0.00 H new ATOM 0 HB THR A 8 -4.643 -12.933 0.667 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.629 -11.950 -0.138 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.577 -14.722 -1.049 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.123 -13.842 -1.026 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.925 -13.502 -2.297 1.00 0.00 H new ATOM 146 N VAL A 9 -5.473 -9.303 0.707 1.00 0.00 N ATOM 147 CA VAL A 9 -5.222 -8.242 1.691 1.00 0.00 C ATOM 148 C VAL A 9 -5.421 -8.715 3.151 1.00 0.00 C ATOM 149 O VAL A 9 -4.729 -9.639 3.584 1.00 0.00 O ATOM 150 CB VAL A 9 -6.105 -7.008 1.400 1.00 0.00 C ATOM 151 CG1 VAL A 9 -5.590 -5.793 2.146 1.00 0.00 C ATOM 152 CG2 VAL A 9 -6.166 -6.710 -0.088 1.00 0.00 C ATOM 0 H VAL A 9 -6.344 -9.185 0.189 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.173 -7.966 1.588 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.113 -7.238 1.746 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.226 -4.935 1.927 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.604 -5.991 3.218 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.569 -5.578 1.830 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.795 -5.836 -0.259 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.161 -6.512 -0.461 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.586 -7.568 -0.614 1.00 0.00 H new ATOM 162 N ASP A 10 -6.300 -8.023 3.927 1.00 0.00 N ATOM 163 CA ASP A 10 -6.542 -8.302 5.366 1.00 0.00 C ATOM 164 C ASP A 10 -5.765 -7.301 6.229 1.00 0.00 C ATOM 165 O ASP A 10 -5.734 -7.393 7.456 1.00 0.00 O ATOM 166 CB ASP A 10 -6.122 -9.704 5.763 1.00 0.00 C ATOM 167 CG ASP A 10 -7.128 -10.403 6.655 1.00 0.00 C ATOM 168 OD1 ASP A 10 -8.216 -10.749 6.158 1.00 0.00 O ATOM 169 OD2 ASP A 10 -6.822 -10.616 7.845 1.00 0.00 O ATOM 0 H ASP A 10 -6.863 -7.252 3.567 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.616 -8.207 5.529 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.971 -10.299 4.862 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.162 -9.656 6.278 1.00 0.00 H new ATOM 174 N SER A 11 -5.156 -6.339 5.554 1.00 0.00 N ATOM 175 CA SER A 11 -4.379 -5.286 6.205 1.00 0.00 C ATOM 176 C SER A 11 -4.041 -4.139 5.245 1.00 0.00 C ATOM 177 O SER A 11 -4.084 -2.973 5.636 1.00 0.00 O ATOM 178 CB SER A 11 -3.085 -5.862 6.788 1.00 0.00 C ATOM 179 OG SER A 11 -2.337 -4.860 7.460 1.00 0.00 O ATOM 0 H SER A 11 -5.184 -6.263 4.537 1.00 0.00 H new ATOM 0 HA SER A 11 -4.998 -4.882 7.006 1.00 0.00 H new ATOM 0 HB2 SER A 11 -3.322 -6.669 7.481 1.00 0.00 H new ATOM 0 HB3 SER A 11 -2.483 -6.295 5.989 1.00 0.00 H new ATOM 0 HG SER A 11 -1.517 -5.253 7.824 1.00 0.00 H new ATOM 185 N ASP A 12 -3.656 -4.470 4.010 1.00 0.00 N ATOM 186 CA ASP A 12 -3.251 -3.469 3.021 1.00 0.00 C ATOM 187 C ASP A 12 -4.353 -2.451 2.619 1.00 0.00 C ATOM 188 O ASP A 12 -4.539 -2.180 1.446 1.00 0.00 O ATOM 189 CB ASP A 12 -2.700 -4.186 1.777 1.00 0.00 C ATOM 190 CG ASP A 12 -1.954 -5.467 2.106 1.00 0.00 C ATOM 191 OD1 ASP A 12 -2.604 -6.439 2.557 1.00 0.00 O ATOM 192 OD2 ASP A 12 -0.722 -5.495 1.915 1.00 0.00 O ATOM 0 H ASP A 12 -3.616 -5.431 3.670 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.482 -2.864 3.501 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.525 -4.417 1.103 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.031 -3.511 1.243 1.00 0.00 H new ATOM 197 N SER A 13 -5.050 -1.857 3.591 1.00 0.00 N ATOM 198 CA SER A 13 -6.079 -0.829 3.334 1.00 0.00 C ATOM 199 C SER A 13 -7.182 -1.229 2.339 1.00 0.00 C ATOM 200 O SER A 13 -8.012 -0.393 1.985 1.00 0.00 O ATOM 201 CB SER A 13 -5.395 0.438 2.828 1.00 0.00 C ATOM 202 OG SER A 13 -5.122 1.331 3.900 1.00 0.00 O ATOM 0 H SER A 13 -4.922 -2.070 4.580 1.00 0.00 H new ATOM 0 HA SER A 13 -6.586 -0.680 4.287 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.466 0.177 2.322 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.031 0.930 2.093 1.00 0.00 H new ATOM 0 HG SER A 13 -4.185 1.616 3.858 1.00 0.00 H new ATOM 208 N TYR A 14 -7.219 -2.488 1.912 1.00 0.00 N ATOM 209 CA TYR A 14 -8.257 -2.938 0.976 1.00 0.00 C ATOM 210 C TYR A 14 -9.637 -2.905 1.627 1.00 0.00 C ATOM 211 O TYR A 14 -10.588 -2.362 1.060 1.00 0.00 O ATOM 212 CB TYR A 14 -7.975 -4.349 0.474 1.00 0.00 C ATOM 213 CG TYR A 14 -9.170 -5.270 0.579 1.00 0.00 C ATOM 214 CD1 TYR A 14 -10.270 -5.121 -0.257 1.00 0.00 C ATOM 215 CD2 TYR A 14 -9.197 -6.286 1.513 1.00 0.00 C ATOM 216 CE1 TYR A 14 -11.350 -5.955 -0.157 1.00 0.00 C ATOM 217 CE2 TYR A 14 -10.272 -7.132 1.614 1.00 0.00 C ATOM 218 CZ TYR A 14 -11.348 -6.968 0.780 1.00 0.00 C ATOM 219 OH TYR A 14 -12.417 -7.834 0.878 1.00 0.00 O ATOM 0 H TYR A 14 -6.554 -3.210 2.192 1.00 0.00 H new ATOM 0 HA TYR A 14 -8.243 -2.250 0.131 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.653 -4.300 -0.566 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.148 -4.772 1.044 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -10.272 -4.335 -0.997 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.355 -6.417 2.177 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -12.201 -5.821 -0.809 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -10.271 -7.924 2.348 1.00 0.00 H new ATOM 0 HH TYR A 14 -12.149 -8.722 0.562 1.00 0.00 H new ATOM 229 N GLN A 15 -9.747 -3.544 2.794 1.00 0.00 N ATOM 230 CA GLN A 15 -11.024 -3.651 3.499 1.00 0.00 C ATOM 231 C GLN A 15 -11.743 -2.308 3.640 1.00 0.00 C ATOM 232 O GLN A 15 -12.961 -2.269 3.545 1.00 0.00 O ATOM 233 CB GLN A 15 -10.861 -4.295 4.890 1.00 0.00 C ATOM 234 CG GLN A 15 -9.589 -5.114 5.094 1.00 0.00 C ATOM 235 CD GLN A 15 -8.472 -4.312 5.736 1.00 0.00 C ATOM 236 OE1 GLN A 15 -8.615 -3.803 6.842 1.00 0.00 O ATOM 237 NE2 GLN A 15 -7.349 -4.197 5.050 1.00 0.00 N ATOM 0 H GLN A 15 -8.966 -3.995 3.270 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.642 -4.298 2.877 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -10.888 -3.506 5.641 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -11.720 -4.940 5.075 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.815 -5.979 5.718 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -9.249 -5.496 4.131 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -7.265 -4.634 4.132 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -6.566 -3.671 5.438 1.00 0.00 H new ATOM 246 N LEU A 16 -11.012 -1.216 3.856 1.00 0.00 N ATOM 247 CA LEU A 16 -11.652 0.098 3.998 1.00 0.00 C ATOM 248 C LEU A 16 -12.532 0.423 2.780 1.00 0.00 C ATOM 249 O LEU A 16 -13.720 0.713 2.926 1.00 0.00 O ATOM 250 CB LEU A 16 -10.599 1.195 4.203 1.00 0.00 C ATOM 251 CG LEU A 16 -10.868 2.138 5.380 1.00 0.00 C ATOM 252 CD1 LEU A 16 -9.832 3.248 5.427 1.00 0.00 C ATOM 253 CD2 LEU A 16 -12.270 2.720 5.289 1.00 0.00 C ATOM 0 H LEU A 16 -9.995 -1.209 3.936 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.293 0.061 4.879 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.628 0.723 4.350 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.531 1.787 3.291 1.00 0.00 H new ATOM 0 HG LEU A 16 -10.794 1.562 6.302 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -10.042 3.906 6.270 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.839 2.814 5.544 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.871 3.821 4.501 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -12.443 3.387 6.134 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -12.372 3.278 4.359 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -13.001 1.912 5.310 1.00 0.00 H new ATOM 265 N LEU A 17 -11.930 0.397 1.591 1.00 0.00 N ATOM 266 CA LEU A 17 -12.682 0.716 0.364 1.00 0.00 C ATOM 267 C LEU A 17 -13.999 -0.048 0.306 1.00 0.00 C ATOM 268 O LEU A 17 -15.072 0.537 0.142 1.00 0.00 O ATOM 269 CB LEU A 17 -11.900 0.399 -0.890 1.00 0.00 C ATOM 270 CG LEU A 17 -11.562 1.614 -1.754 1.00 0.00 C ATOM 271 CD1 LEU A 17 -12.828 2.267 -2.282 1.00 0.00 C ATOM 272 CD2 LEU A 17 -10.754 2.615 -0.960 1.00 0.00 C ATOM 0 H LEU A 17 -10.947 0.165 1.445 1.00 0.00 H new ATOM 0 HA LEU A 17 -12.871 1.789 0.405 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -10.972 -0.099 -0.608 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -12.472 -0.309 -1.490 1.00 0.00 H new ATOM 0 HG LEU A 17 -10.968 1.274 -2.603 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -12.564 3.129 -2.894 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -13.383 1.549 -2.886 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -13.446 2.592 -1.445 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.521 3.475 -1.588 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -11.330 2.943 -0.095 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -9.828 2.150 -0.623 1.00 0.00 H new ATOM 284 N LYS A 18 -13.903 -1.362 0.440 1.00 0.00 N ATOM 285 CA LYS A 18 -15.065 -2.231 0.402 1.00 0.00 C ATOM 286 C LYS A 18 -15.902 -2.083 1.662 1.00 0.00 C ATOM 287 O LYS A 18 -17.111 -2.304 1.647 1.00 0.00 O ATOM 288 CB LYS A 18 -14.617 -3.667 0.213 1.00 0.00 C ATOM 289 CG LYS A 18 -13.739 -4.144 1.344 1.00 0.00 C ATOM 290 CD LYS A 18 -14.050 -5.591 1.675 1.00 0.00 C ATOM 291 CE LYS A 18 -13.448 -6.027 2.999 1.00 0.00 C ATOM 292 NZ LYS A 18 -13.355 -7.507 3.078 1.00 0.00 N ATOM 0 H LYS A 18 -13.020 -1.853 0.578 1.00 0.00 H new ATOM 0 HA LYS A 18 -15.694 -1.942 -0.440 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -15.492 -4.312 0.138 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -14.074 -3.756 -0.728 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -12.690 -4.044 1.066 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -13.896 -3.520 2.224 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -15.131 -5.729 1.708 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -13.671 -6.232 0.879 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -12.456 -5.590 3.113 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -14.058 -5.653 3.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -12.683 -7.773 3.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -14.292 -7.902 3.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -13.025 -7.883 2.166 1.00 0.00 H new ATOM 306 N ALA A 19 -15.244 -1.672 2.740 1.00 0.00 N ATOM 307 CA ALA A 19 -15.914 -1.442 4.014 1.00 0.00 C ATOM 308 C ALA A 19 -17.009 -0.396 3.831 1.00 0.00 C ATOM 309 O ALA A 19 -17.954 -0.318 4.617 1.00 0.00 O ATOM 310 CB ALA A 19 -14.927 -1.009 5.090 1.00 0.00 C ATOM 0 H ALA A 19 -14.240 -1.490 2.756 1.00 0.00 H new ATOM 0 HA ALA A 19 -16.363 -2.378 4.345 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -15.459 -0.846 6.027 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -14.176 -1.787 5.230 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -14.438 -0.084 4.784 1.00 0.00 H new ATOM 316 N TYR A 20 -16.883 0.382 2.753 1.00 0.00 N ATOM 317 CA TYR A 20 -17.859 1.389 2.413 1.00 0.00 C ATOM 318 C TYR A 20 -18.942 0.740 1.562 1.00 0.00 C ATOM 319 O TYR A 20 -20.119 0.820 1.910 1.00 0.00 O ATOM 320 CB TYR A 20 -17.217 2.539 1.631 1.00 0.00 C ATOM 321 CG TYR A 20 -16.170 3.322 2.390 1.00 0.00 C ATOM 322 CD1 TYR A 20 -16.346 3.671 3.724 1.00 0.00 C ATOM 323 CD2 TYR A 20 -15.007 3.731 1.756 1.00 0.00 C ATOM 324 CE1 TYR A 20 -15.386 4.405 4.399 1.00 0.00 C ATOM 325 CE2 TYR A 20 -14.054 4.464 2.419 1.00 0.00 C ATOM 326 CZ TYR A 20 -14.243 4.800 3.739 1.00 0.00 C ATOM 327 OH TYR A 20 -13.289 5.543 4.398 1.00 0.00 O ATOM 0 H TYR A 20 -16.101 0.323 2.101 1.00 0.00 H new ATOM 0 HA TYR A 20 -18.282 1.800 3.330 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -16.762 2.134 0.727 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -18.002 3.225 1.313 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -17.244 3.365 4.241 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -14.848 3.468 0.721 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -15.532 4.666 5.437 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -13.157 4.776 1.905 1.00 0.00 H new ATOM 0 HH TYR A 20 -12.971 6.261 3.811 1.00 0.00 H new ATOM 337 N ASP A 21 -18.514 0.070 0.465 1.00 0.00 N ATOM 338 CA ASP A 21 -19.443 -0.641 -0.446 1.00 0.00 C ATOM 339 C ASP A 21 -18.889 -0.726 -1.871 1.00 0.00 C ATOM 340 O ASP A 21 -19.630 -0.583 -2.846 1.00 0.00 O ATOM 341 CB ASP A 21 -20.828 0.031 -0.493 1.00 0.00 C ATOM 342 CG ASP A 21 -21.935 -0.887 -0.011 1.00 0.00 C ATOM 343 OD1 ASP A 21 -21.742 -1.568 1.019 1.00 0.00 O ATOM 344 OD2 ASP A 21 -22.994 -0.931 -0.671 1.00 0.00 O ATOM 0 H ASP A 21 -17.534 0.007 0.190 1.00 0.00 H new ATOM 0 HA ASP A 21 -19.547 -1.647 -0.040 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -20.813 0.931 0.122 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -21.041 0.347 -1.514 1.00 0.00 H new ATOM 349 N VAL A 22 -17.586 -0.934 -2.003 1.00 0.00 N ATOM 350 CA VAL A 22 -16.973 -1.001 -3.319 1.00 0.00 C ATOM 351 C VAL A 22 -15.789 -1.973 -3.364 1.00 0.00 C ATOM 352 O VAL A 22 -14.624 -1.576 -3.268 1.00 0.00 O ATOM 353 CB VAL A 22 -16.555 0.416 -3.767 1.00 0.00 C ATOM 354 CG1 VAL A 22 -15.344 0.920 -2.997 1.00 0.00 C ATOM 355 CG2 VAL A 22 -16.306 0.458 -5.267 1.00 0.00 C ATOM 0 H VAL A 22 -16.940 -1.058 -1.223 1.00 0.00 H new ATOM 0 HA VAL A 22 -17.713 -1.394 -4.017 1.00 0.00 H new ATOM 0 HB VAL A 22 -17.383 1.087 -3.539 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -15.083 1.920 -3.343 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -15.578 0.954 -1.933 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -14.502 0.248 -3.162 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -16.013 1.466 -5.559 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -15.509 -0.240 -5.523 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -17.217 0.178 -5.795 1.00 0.00 H new ATOM 365 N ASN A 23 -16.098 -3.267 -3.489 1.00 0.00 N ATOM 366 CA ASN A 23 -15.062 -4.304 -3.532 1.00 0.00 C ATOM 367 C ASN A 23 -14.183 -4.182 -4.782 1.00 0.00 C ATOM 368 O ASN A 23 -14.159 -5.076 -5.624 1.00 0.00 O ATOM 369 CB ASN A 23 -15.672 -5.704 -3.470 1.00 0.00 C ATOM 370 CG ASN A 23 -16.564 -5.908 -2.262 1.00 0.00 C ATOM 371 OD1 ASN A 23 -16.083 -6.101 -1.148 1.00 0.00 O ATOM 372 ND2 ASN A 23 -17.871 -5.866 -2.470 1.00 0.00 N ATOM 0 H ASN A 23 -17.052 -3.621 -3.562 1.00 0.00 H new ATOM 0 HA ASN A 23 -14.435 -4.152 -2.654 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -16.251 -5.883 -4.376 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -14.871 -6.443 -3.452 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -18.516 -5.996 -1.691 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -18.233 -5.703 -3.410 1.00 0.00 H new ATOM 379 N ILE A 24 -13.475 -3.056 -4.859 1.00 0.00 N ATOM 380 CA ILE A 24 -12.544 -2.672 -5.918 1.00 0.00 C ATOM 381 C ILE A 24 -12.917 -3.003 -7.374 1.00 0.00 C ATOM 382 O ILE A 24 -12.185 -2.579 -8.264 1.00 0.00 O ATOM 383 CB ILE A 24 -11.129 -3.173 -5.646 1.00 0.00 C ATOM 384 CG1 ILE A 24 -11.121 -4.164 -4.514 1.00 0.00 C ATOM 385 CG2 ILE A 24 -10.165 -2.036 -5.382 1.00 0.00 C ATOM 386 CD1 ILE A 24 -11.682 -5.448 -4.985 1.00 0.00 C ATOM 0 H ILE A 24 -13.541 -2.341 -4.135 1.00 0.00 H new ATOM 0 HA ILE A 24 -12.609 -1.585 -5.860 1.00 0.00 H new ATOM 0 HB ILE A 24 -10.785 -3.680 -6.548 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.104 -4.310 -4.150 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -11.707 -3.783 -3.678 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -9.170 -2.439 -5.193 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -10.132 -1.378 -6.251 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -10.499 -1.471 -4.512 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -11.678 -6.169 -4.167 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -12.705 -5.294 -5.328 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.077 -5.829 -5.808 1.00 0.00 H new ATOM 398 N SER A 25 -13.984 -3.763 -7.644 1.00 0.00 N ATOM 399 CA SER A 25 -14.326 -4.115 -9.027 1.00 0.00 C ATOM 400 C SER A 25 -14.050 -2.929 -9.963 1.00 0.00 C ATOM 401 O SER A 25 -13.218 -3.029 -10.873 1.00 0.00 O ATOM 402 CB SER A 25 -15.798 -4.549 -9.114 1.00 0.00 C ATOM 403 OG SER A 25 -16.541 -3.735 -10.010 1.00 0.00 O ATOM 0 H SER A 25 -14.616 -4.141 -6.938 1.00 0.00 H new ATOM 0 HA SER A 25 -13.702 -4.951 -9.344 1.00 0.00 H new ATOM 0 HB2 SER A 25 -15.851 -5.588 -9.439 1.00 0.00 H new ATOM 0 HB3 SER A 25 -16.249 -4.502 -8.123 1.00 0.00 H new ATOM 0 HG SER A 25 -17.471 -4.044 -10.038 1.00 0.00 H new ATOM 409 N GLY A 26 -14.720 -1.799 -9.712 1.00 0.00 N ATOM 410 CA GLY A 26 -14.504 -0.601 -10.513 1.00 0.00 C ATOM 411 C GLY A 26 -13.283 0.189 -10.054 1.00 0.00 C ATOM 412 O GLY A 26 -12.653 0.887 -10.850 1.00 0.00 O ATOM 0 H GLY A 26 -15.409 -1.694 -8.967 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.380 -0.883 -11.558 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -15.388 0.035 -10.457 1.00 0.00 H new ATOM 416 N LEU A 27 -12.952 0.084 -8.762 1.00 0.00 N ATOM 417 CA LEU A 27 -11.818 0.776 -8.187 1.00 0.00 C ATOM 418 C LEU A 27 -10.499 0.268 -8.781 1.00 0.00 C ATOM 419 O LEU A 27 -9.774 1.035 -9.423 1.00 0.00 O ATOM 420 CB LEU A 27 -11.842 0.587 -6.672 1.00 0.00 C ATOM 421 CG LEU A 27 -11.256 1.724 -5.844 1.00 0.00 C ATOM 422 CD1 LEU A 27 -10.298 1.159 -4.816 1.00 0.00 C ATOM 423 CD2 LEU A 27 -10.562 2.732 -6.738 1.00 0.00 C ATOM 0 H LEU A 27 -13.470 -0.487 -8.094 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.888 1.838 -8.423 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.876 0.435 -6.362 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.299 -0.327 -6.432 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.062 2.243 -5.325 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.879 1.972 -4.224 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.832 0.471 -4.161 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.493 0.627 -5.323 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -10.150 3.536 -6.128 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.756 2.241 -7.283 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -11.280 3.145 -7.446 1.00 0.00 H new ATOM 435 N VAL A 28 -10.200 -1.032 -8.594 1.00 0.00 N ATOM 436 CA VAL A 28 -8.977 -1.616 -9.153 1.00 0.00 C ATOM 437 C VAL A 28 -8.857 -1.205 -10.620 1.00 0.00 C ATOM 438 O VAL A 28 -7.930 -0.515 -11.012 1.00 0.00 O ATOM 439 CB VAL A 28 -8.990 -3.162 -9.042 1.00 0.00 C ATOM 440 CG1 VAL A 28 -7.983 -3.793 -9.986 1.00 0.00 C ATOM 441 CG2 VAL A 28 -8.710 -3.600 -7.617 1.00 0.00 C ATOM 0 H VAL A 28 -10.781 -1.684 -8.068 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.122 -1.247 -8.586 1.00 0.00 H new ATOM 0 HB VAL A 28 -9.985 -3.502 -9.328 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.018 -4.878 -9.883 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.225 -3.518 -11.013 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.982 -3.437 -9.741 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -8.724 -4.689 -7.562 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.731 -3.233 -7.309 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -9.474 -3.193 -6.955 1.00 0.00 H new ATOM 451 N SER A 29 -9.850 -1.620 -11.390 1.00 0.00 N ATOM 452 CA SER A 29 -9.977 -1.330 -12.810 1.00 0.00 C ATOM 453 C SER A 29 -9.793 0.156 -13.148 1.00 0.00 C ATOM 454 O SER A 29 -9.079 0.484 -14.097 1.00 0.00 O ATOM 455 CB SER A 29 -11.373 -1.764 -13.239 1.00 0.00 C ATOM 456 OG SER A 29 -12.347 -1.335 -12.310 1.00 0.00 O ATOM 0 H SER A 29 -10.617 -2.188 -11.031 1.00 0.00 H new ATOM 0 HA SER A 29 -9.189 -1.868 -13.337 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.599 -1.353 -14.223 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.407 -2.850 -13.331 1.00 0.00 H new ATOM 0 HG SER A 29 -12.886 -2.102 -12.024 1.00 0.00 H new ATOM 462 N THR A 30 -10.412 1.056 -12.376 1.00 0.00 N ATOM 463 CA THR A 30 -10.268 2.487 -12.632 1.00 0.00 C ATOM 464 C THR A 30 -8.843 2.880 -12.352 1.00 0.00 C ATOM 465 O THR A 30 -8.170 3.497 -13.185 1.00 0.00 O ATOM 466 CB THR A 30 -11.211 3.320 -11.762 1.00 0.00 C ATOM 467 OG1 THR A 30 -12.559 2.988 -12.024 1.00 0.00 O ATOM 468 CG2 THR A 30 -11.058 4.810 -11.980 1.00 0.00 C ATOM 0 H THR A 30 -11.008 0.821 -11.582 1.00 0.00 H new ATOM 0 HA THR A 30 -10.528 2.681 -13.673 1.00 0.00 H new ATOM 0 HB THR A 30 -10.940 3.085 -10.733 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.701 2.034 -11.850 1.00 0.00 H new ATOM 0 HG21 THR A 30 -11.754 5.346 -11.334 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.038 5.110 -11.741 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.272 5.049 -13.022 1.00 0.00 H new ATOM 476 N THR A 31 -8.374 2.495 -11.171 1.00 0.00 N ATOM 477 CA THR A 31 -7.014 2.786 -10.796 1.00 0.00 C ATOM 478 C THR A 31 -6.063 2.125 -11.793 1.00 0.00 C ATOM 479 O THR A 31 -5.007 2.665 -12.116 1.00 0.00 O ATOM 480 CB THR A 31 -6.726 2.346 -9.362 1.00 0.00 C ATOM 481 OG1 THR A 31 -7.078 3.381 -8.462 1.00 0.00 O ATOM 482 CG2 THR A 31 -5.275 2.010 -9.105 1.00 0.00 C ATOM 0 H THR A 31 -8.915 1.987 -10.471 1.00 0.00 H new ATOM 0 HA THR A 31 -6.858 3.864 -10.827 1.00 0.00 H new ATOM 0 HB THR A 31 -7.318 1.444 -9.211 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.271 3.722 -8.023 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.150 1.707 -8.066 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.969 1.195 -9.760 1.00 0.00 H new ATOM 0 HG23 THR A 31 -4.658 2.886 -9.304 1.00 0.00 H new ATOM 490 N MET A 32 -6.472 0.956 -12.289 1.00 0.00 N ATOM 491 CA MET A 32 -5.701 0.201 -13.263 1.00 0.00 C ATOM 492 C MET A 32 -5.440 1.031 -14.511 1.00 0.00 C ATOM 493 O MET A 32 -4.301 1.244 -14.876 1.00 0.00 O ATOM 494 CB MET A 32 -6.439 -1.089 -13.640 1.00 0.00 C ATOM 495 CG MET A 32 -6.401 -2.140 -12.546 1.00 0.00 C ATOM 496 SD MET A 32 -5.108 -3.352 -12.819 1.00 0.00 S ATOM 497 CE MET A 32 -4.974 -4.077 -11.208 1.00 0.00 C ATOM 0 H MET A 32 -7.350 0.510 -12.022 1.00 0.00 H new ATOM 0 HA MET A 32 -4.742 -0.054 -12.811 1.00 0.00 H new ATOM 0 HB2 MET A 32 -7.477 -0.852 -13.871 1.00 0.00 H new ATOM 0 HB3 MET A 32 -5.997 -1.501 -14.547 1.00 0.00 H new ATOM 0 HG2 MET A 32 -6.244 -1.654 -11.583 1.00 0.00 H new ATOM 0 HG3 MET A 32 -7.366 -2.645 -12.495 1.00 0.00 H new ATOM 0 HE1 MET A 32 -4.232 -4.875 -11.229 1.00 0.00 H new ATOM 0 HE2 MET A 32 -4.668 -3.316 -10.491 1.00 0.00 H new ATOM 0 HE3 MET A 32 -5.940 -4.487 -10.912 1.00 0.00 H new ATOM 507 N GLN A 33 -6.500 1.510 -15.154 1.00 0.00 N ATOM 508 CA GLN A 33 -6.353 2.325 -16.362 1.00 0.00 C ATOM 509 C GLN A 33 -5.506 3.565 -16.082 1.00 0.00 C ATOM 510 O GLN A 33 -4.600 3.893 -16.851 1.00 0.00 O ATOM 511 CB GLN A 33 -7.738 2.698 -16.917 1.00 0.00 C ATOM 512 CG GLN A 33 -8.010 4.196 -17.032 1.00 0.00 C ATOM 513 CD GLN A 33 -7.297 4.842 -18.205 1.00 0.00 C ATOM 514 OE1 GLN A 33 -6.939 4.180 -19.176 1.00 0.00 O ATOM 515 NE2 GLN A 33 -7.085 6.146 -18.121 1.00 0.00 N ATOM 0 H GLN A 33 -7.465 1.351 -14.864 1.00 0.00 H new ATOM 0 HA GLN A 33 -5.830 1.742 -17.120 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.850 2.248 -17.903 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.500 2.255 -16.276 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.083 4.358 -17.133 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -7.699 4.687 -16.110 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -7.397 6.661 -17.298 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -6.609 6.635 -18.879 1.00 0.00 H new ATOM 524 N ASN A 34 -5.790 4.238 -14.973 1.00 0.00 N ATOM 525 CA ASN A 34 -5.038 5.429 -14.591 1.00 0.00 C ATOM 526 C ASN A 34 -3.581 5.076 -14.306 1.00 0.00 C ATOM 527 O ASN A 34 -2.670 5.633 -14.926 1.00 0.00 O ATOM 528 CB ASN A 34 -5.680 6.073 -13.365 1.00 0.00 C ATOM 529 CG ASN A 34 -5.791 7.575 -13.451 1.00 0.00 C ATOM 530 OD1 ASN A 34 -5.476 8.188 -14.471 1.00 0.00 O ATOM 531 ND2 ASN A 34 -6.257 8.174 -12.368 1.00 0.00 N ATOM 0 H ASN A 34 -6.533 3.981 -14.324 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.059 6.139 -15.418 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -6.676 5.652 -13.225 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -5.097 5.812 -12.482 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -6.369 9.188 -12.354 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -6.505 7.622 -11.547 1.00 0.00 H new ATOM 538 N GLU A 35 -3.363 4.129 -13.393 1.00 0.00 N ATOM 539 CA GLU A 35 -2.011 3.695 -13.066 1.00 0.00 C ATOM 540 C GLU A 35 -1.392 2.968 -14.256 1.00 0.00 C ATOM 541 O GLU A 35 -0.181 2.910 -14.389 1.00 0.00 O ATOM 542 CB GLU A 35 -1.992 2.817 -11.814 1.00 0.00 C ATOM 543 CG GLU A 35 -0.852 3.160 -10.859 1.00 0.00 C ATOM 544 CD GLU A 35 -0.822 4.625 -10.471 1.00 0.00 C ATOM 545 OE1 GLU A 35 -1.545 5.005 -9.526 1.00 0.00 O ATOM 546 OE2 GLU A 35 -0.067 5.394 -11.109 1.00 0.00 O ATOM 0 H GLU A 35 -4.100 3.653 -12.873 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.412 4.579 -12.848 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.942 2.922 -11.289 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.907 1.772 -12.112 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.946 2.554 -9.958 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.097 2.894 -11.325 1.00 0.00 H new ATOM 553 N ALA A 36 -2.227 2.451 -15.149 1.00 0.00 N ATOM 554 CA ALA A 36 -1.738 1.787 -16.348 1.00 0.00 C ATOM 555 C ALA A 36 -1.181 2.840 -17.291 1.00 0.00 C ATOM 556 O ALA A 36 -0.112 2.672 -17.880 1.00 0.00 O ATOM 557 CB ALA A 36 -2.847 1.009 -17.025 1.00 0.00 C ATOM 0 H ALA A 36 -3.243 2.479 -15.065 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.956 1.078 -16.076 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.457 0.522 -17.918 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.233 0.255 -16.340 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.651 1.690 -17.305 1.00 0.00 H new ATOM 563 N ARG A 37 -1.913 3.947 -17.411 1.00 0.00 N ATOM 564 CA ARG A 37 -1.482 5.048 -18.255 1.00 0.00 C ATOM 565 C ARG A 37 -0.321 5.787 -17.623 1.00 0.00 C ATOM 566 O ARG A 37 0.725 5.979 -18.240 1.00 0.00 O ATOM 567 CB ARG A 37 -2.596 6.064 -18.432 1.00 0.00 C ATOM 568 CG ARG A 37 -3.237 6.059 -19.810 1.00 0.00 C ATOM 569 CD ARG A 37 -2.511 6.989 -20.770 1.00 0.00 C ATOM 570 NE ARG A 37 -3.403 8.017 -21.321 1.00 0.00 N ATOM 571 CZ ARG A 37 -4.399 7.774 -22.167 1.00 0.00 C ATOM 572 NH1 ARG A 37 -4.675 6.537 -22.539 1.00 0.00 N ATOM 573 NH2 ARG A 37 -5.126 8.771 -22.634 1.00 0.00 N ATOM 0 H ARG A 37 -2.802 4.100 -16.935 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.195 4.614 -19.213 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.367 5.874 -17.685 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.199 7.059 -18.233 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.231 5.045 -20.211 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.280 6.363 -19.727 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.681 7.469 -20.251 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.083 6.406 -21.585 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.248 8.984 -21.035 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -4.122 5.760 -22.177 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -5.441 6.359 -23.189 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -4.924 9.728 -22.346 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -5.890 8.584 -23.283 1.00 0.00 H new ATOM 587 N ARG A 38 -0.553 6.259 -16.403 1.00 0.00 N ATOM 588 CA ARG A 38 0.438 7.045 -15.700 1.00 0.00 C ATOM 589 C ARG A 38 1.498 6.215 -14.946 1.00 0.00 C ATOM 590 O ARG A 38 2.634 6.664 -14.813 1.00 0.00 O ATOM 591 CB ARG A 38 -0.247 8.027 -14.745 1.00 0.00 C ATOM 592 CG ARG A 38 -0.726 9.307 -15.424 1.00 0.00 C ATOM 593 CD ARG A 38 0.407 10.016 -16.158 1.00 0.00 C ATOM 594 NE ARG A 38 -0.075 11.149 -16.959 1.00 0.00 N ATOM 595 CZ ARG A 38 0.660 11.794 -17.862 1.00 0.00 C ATOM 596 NH1 ARG A 38 1.909 11.433 -18.089 1.00 0.00 N ATOM 597 NH2 ARG A 38 0.141 12.801 -18.537 1.00 0.00 N ATOM 0 H ARG A 38 -1.419 6.108 -15.886 1.00 0.00 H new ATOM 0 HA ARG A 38 0.986 7.586 -16.471 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.099 7.532 -14.279 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.447 8.287 -13.946 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -1.523 9.069 -16.129 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.151 9.978 -14.677 1.00 0.00 H new ATOM 0 HD2 ARG A 38 1.141 10.371 -15.434 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.918 9.305 -16.807 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.035 11.462 -16.814 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.317 10.655 -17.571 1.00 0.00 H new ATOM 0 HH12 ARG A 38 2.466 11.932 -18.783 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.824 13.086 -18.367 1.00 0.00 H new ATOM 0 HH22 ARG A 38 0.704 13.295 -19.229 1.00 0.00 H new ATOM 1184 N LYS B 102 -5.101 -13.036 6.289 1.00 0.00 N ATOM 1185 CA LYS B 102 -5.166 -12.557 4.906 1.00 0.00 C ATOM 1186 C LYS B 102 -6.581 -12.687 4.336 1.00 0.00 C ATOM 1187 O LYS B 102 -7.288 -13.654 4.622 1.00 0.00 O ATOM 1188 CB LYS B 102 -4.185 -13.332 4.020 1.00 0.00 C ATOM 1189 CG LYS B 102 -3.002 -12.500 3.547 1.00 0.00 C ATOM 1190 CD LYS B 102 -2.110 -12.082 4.707 1.00 0.00 C ATOM 1191 CE LYS B 102 -1.852 -10.585 4.703 1.00 0.00 C ATOM 1192 NZ LYS B 102 -2.997 -9.836 5.282 1.00 0.00 N ATOM 0 HA LYS B 102 -4.891 -11.502 4.913 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -3.814 -14.195 4.573 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -4.719 -13.716 3.151 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -2.418 -13.073 2.827 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -3.365 -11.613 3.029 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -2.579 -12.368 5.649 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -1.161 -12.615 4.648 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -0.948 -10.369 5.273 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -1.674 -10.248 3.682 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -2.687 -8.879 5.547 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -3.760 -9.770 4.579 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -3.346 -10.333 6.126 1.00 0.00 H new ATOM 1206 N GLN B 103 -6.972 -11.724 3.507 1.00 0.00 N ATOM 1207 CA GLN B 103 -8.284 -11.746 2.875 1.00 0.00 C ATOM 1208 C GLN B 103 -8.125 -11.701 1.384 1.00 0.00 C ATOM 1209 O GLN B 103 -7.469 -10.812 0.851 1.00 0.00 O ATOM 1210 CB GLN B 103 -9.175 -10.571 3.322 1.00 0.00 C ATOM 1211 CG GLN B 103 -10.347 -10.341 2.372 1.00 0.00 C ATOM 1212 CD GLN B 103 -11.629 -9.931 3.066 1.00 0.00 C ATOM 1213 OE1 GLN B 103 -11.626 -9.136 4.006 1.00 0.00 O ATOM 1214 NE2 GLN B 103 -12.743 -10.444 2.573 1.00 0.00 N ATOM 0 H GLN B 103 -6.398 -10.919 3.258 1.00 0.00 H new ATOM 0 HA GLN B 103 -8.774 -12.669 3.184 1.00 0.00 H new ATOM 0 HB2 GLN B 103 -9.555 -10.767 4.324 1.00 0.00 H new ATOM 0 HB3 GLN B 103 -8.574 -9.664 3.381 1.00 0.00 H new ATOM 0 HG2 GLN B 103 -10.072 -9.570 1.652 1.00 0.00 H new ATOM 0 HG3 GLN B 103 -10.528 -11.255 1.806 1.00 0.00 H new ATOM 0 HE21 GLN B 103 -12.701 -11.100 1.793 1.00 0.00 H new ATOM 0 HE22 GLN B 103 -13.645 -10.184 2.973 1.00 0.00 H new ATOM 1223 N ARG B 104 -8.716 -12.657 0.702 1.00 0.00 N ATOM 1224 CA ARG B 104 -8.589 -12.695 -0.728 1.00 0.00 C ATOM 1225 C ARG B 104 -9.502 -11.695 -1.404 1.00 0.00 C ATOM 1226 O ARG B 104 -10.723 -11.870 -1.452 1.00 0.00 O ATOM 1227 CB ARG B 104 -8.893 -14.082 -1.274 1.00 0.00 C ATOM 1228 CG ARG B 104 -8.501 -14.210 -2.728 1.00 0.00 C ATOM 1229 CD ARG B 104 -8.427 -15.657 -3.163 1.00 0.00 C ATOM 1230 NE ARG B 104 -9.005 -15.841 -4.486 1.00 0.00 N ATOM 1231 CZ ARG B 104 -10.300 -15.821 -4.734 1.00 0.00 C ATOM 1232 NH1 ARG B 104 -11.164 -15.635 -3.750 1.00 0.00 N ATOM 1233 NH2 ARG B 104 -10.726 -15.987 -5.969 1.00 0.00 N ATOM 0 H ARG B 104 -9.278 -13.404 1.110 1.00 0.00 H new ATOM 0 HA ARG B 104 -7.554 -12.434 -0.949 1.00 0.00 H new ATOM 0 HB2 ARG B 104 -8.359 -14.829 -0.686 1.00 0.00 H new ATOM 0 HB3 ARG B 104 -9.957 -14.291 -1.165 1.00 0.00 H new ATOM 0 HG2 ARG B 104 -9.225 -13.680 -3.348 1.00 0.00 H new ATOM 0 HG3 ARG B 104 -7.534 -13.732 -2.888 1.00 0.00 H new ATOM 0 HD2 ARG B 104 -7.387 -15.985 -3.169 1.00 0.00 H new ATOM 0 HD3 ARG B 104 -8.954 -16.283 -2.443 1.00 0.00 H new ATOM 0 HE ARG B 104 -8.370 -15.995 -5.269 1.00 0.00 H new ATOM 0 HH11 ARG B 104 -10.829 -15.506 -2.795 1.00 0.00 H new ATOM 0 HH12 ARG B 104 -12.165 -15.620 -3.946 1.00 0.00 H new ATOM 0 HH21 ARG B 104 -10.056 -16.130 -6.725 1.00 0.00 H new ATOM 0 HH22 ARG B 104 -11.726 -15.973 -6.170 1.00 0.00 H new ATOM 1247 N ILE B 105 -8.884 -10.695 -2.014 1.00 0.00 N ATOM 1248 CA ILE B 105 -9.618 -9.725 -2.789 1.00 0.00 C ATOM 1249 C ILE B 105 -9.545 -10.200 -4.194 1.00 0.00 C ATOM 1250 O ILE B 105 -8.464 -10.416 -4.686 1.00 0.00 O ATOM 1251 CB ILE B 105 -9.037 -8.313 -2.713 1.00 0.00 C ATOM 1252 CG1 ILE B 105 -9.944 -7.476 -1.873 1.00 0.00 C ATOM 1253 CG2 ILE B 105 -8.874 -7.695 -4.113 1.00 0.00 C ATOM 1254 CD1 ILE B 105 -11.159 -7.005 -2.636 1.00 0.00 C ATOM 0 H ILE B 105 -7.876 -10.540 -1.983 1.00 0.00 H new ATOM 0 HA ILE B 105 -10.634 -9.651 -2.400 1.00 0.00 H new ATOM 0 HB ILE B 105 -8.044 -8.356 -2.266 1.00 0.00 H new ATOM 0 HG12 ILE B 105 -10.264 -8.051 -1.004 1.00 0.00 H new ATOM 0 HG13 ILE B 105 -9.395 -6.612 -1.499 1.00 0.00 H new ATOM 0 HG21 ILE B 105 -8.459 -6.691 -4.022 1.00 0.00 H new ATOM 0 HG22 ILE B 105 -8.201 -8.313 -4.708 1.00 0.00 H new ATOM 0 HG23 ILE B 105 -9.846 -7.642 -4.603 1.00 0.00 H new ATOM 0 HD11 ILE B 105 -11.787 -6.400 -1.982 1.00 0.00 H new ATOM 0 HD12 ILE B 105 -10.843 -6.407 -3.490 1.00 0.00 H new ATOM 0 HD13 ILE B 105 -11.725 -7.868 -2.987 1.00 0.00 H new ATOM 1266 N THR B 106 -10.666 -10.418 -4.814 1.00 0.00 N ATOM 1267 CA THR B 106 -10.664 -10.941 -6.158 1.00 0.00 C ATOM 1268 C THR B 106 -11.599 -10.129 -7.062 1.00 0.00 C ATOM 1269 O THR B 106 -12.819 -10.243 -6.960 1.00 0.00 O ATOM 1270 CB THR B 106 -11.057 -12.417 -6.066 1.00 0.00 C ATOM 1271 OG1 THR B 106 -10.730 -12.966 -4.794 1.00 0.00 O ATOM 1272 CG2 THR B 106 -10.403 -13.314 -7.075 1.00 0.00 C ATOM 0 H THR B 106 -11.590 -10.245 -4.419 1.00 0.00 H new ATOM 0 HA THR B 106 -9.678 -10.859 -6.615 1.00 0.00 H new ATOM 0 HB THR B 106 -12.131 -12.395 -6.253 1.00 0.00 H new ATOM 0 HG1 THR B 106 -11.553 -13.143 -4.293 1.00 0.00 H new ATOM 0 HG21 THR B 106 -10.746 -14.338 -6.928 1.00 0.00 H new ATOM 0 HG22 THR B 106 -10.667 -12.984 -8.080 1.00 0.00 H new ATOM 0 HG23 THR B 106 -9.321 -13.272 -6.952 1.00 0.00 H new ATOM 1280 N VAL B 107 -11.007 -9.369 -7.991 1.00 0.00 N ATOM 1281 CA VAL B 107 -11.760 -8.584 -8.995 1.00 0.00 C ATOM 1282 C VAL B 107 -11.701 -9.317 -10.330 1.00 0.00 C ATOM 1283 O VAL B 107 -10.650 -9.335 -10.967 1.00 0.00 O ATOM 1284 CB VAL B 107 -11.258 -7.089 -9.194 1.00 0.00 C ATOM 1285 CG1 VAL B 107 -9.822 -6.887 -8.727 1.00 0.00 C ATOM 1286 CG2 VAL B 107 -11.394 -6.622 -10.664 1.00 0.00 C ATOM 0 H VAL B 107 -9.995 -9.276 -8.074 1.00 0.00 H new ATOM 0 HA VAL B 107 -12.778 -8.501 -8.614 1.00 0.00 H new ATOM 0 HB VAL B 107 -11.909 -6.478 -8.569 1.00 0.00 H new ATOM 0 HG11 VAL B 107 -9.530 -5.849 -8.886 1.00 0.00 H new ATOM 0 HG12 VAL B 107 -9.747 -7.127 -7.666 1.00 0.00 H new ATOM 0 HG13 VAL B 107 -9.160 -7.541 -9.294 1.00 0.00 H new ATOM 0 HG21 VAL B 107 -11.039 -5.595 -10.754 1.00 0.00 H new ATOM 0 HG22 VAL B 107 -10.798 -7.269 -11.308 1.00 0.00 H new ATOM 0 HG23 VAL B 107 -12.440 -6.672 -10.967 1.00 0.00 H new ATOM 1296 N THR B 108 -12.797 -9.917 -10.769 1.00 0.00 N ATOM 1297 CA THR B 108 -12.791 -10.609 -12.051 1.00 0.00 C ATOM 1298 C THR B 108 -12.718 -9.582 -13.185 1.00 0.00 C ATOM 1299 O THR B 108 -13.730 -8.985 -13.557 1.00 0.00 O ATOM 1300 CB THR B 108 -14.020 -11.491 -12.198 1.00 0.00 C ATOM 1301 OG1 THR B 108 -15.181 -10.837 -11.732 1.00 0.00 O ATOM 1302 CG2 THR B 108 -13.914 -12.796 -11.473 1.00 0.00 C ATOM 0 H THR B 108 -13.686 -9.940 -10.269 1.00 0.00 H new ATOM 0 HA THR B 108 -11.915 -11.256 -12.100 1.00 0.00 H new ATOM 0 HB THR B 108 -14.087 -11.692 -13.267 1.00 0.00 H new ATOM 0 HG1 THR B 108 -15.227 -9.937 -12.118 1.00 0.00 H new ATOM 0 HG21 THR B 108 -14.828 -13.371 -11.624 1.00 0.00 H new ATOM 0 HG22 THR B 108 -13.063 -13.358 -11.858 1.00 0.00 H new ATOM 0 HG23 THR B 108 -13.774 -12.610 -10.408 1.00 0.00 H new ATOM 1310 N VAL B 109 -11.515 -9.358 -13.707 1.00 0.00 N ATOM 1311 CA VAL B 109 -11.303 -8.373 -14.777 1.00 0.00 C ATOM 1312 C VAL B 109 -11.040 -9.049 -16.136 1.00 0.00 C ATOM 1313 O VAL B 109 -11.651 -10.078 -16.415 1.00 0.00 O ATOM 1314 CB VAL B 109 -10.171 -7.373 -14.409 1.00 0.00 C ATOM 1315 CG1 VAL B 109 -10.761 -6.071 -13.890 1.00 0.00 C ATOM 1316 CG2 VAL B 109 -9.220 -7.972 -13.388 1.00 0.00 C ATOM 0 H VAL B 109 -10.668 -9.843 -13.410 1.00 0.00 H new ATOM 0 HA VAL B 109 -12.227 -7.803 -14.878 1.00 0.00 H new ATOM 0 HB VAL B 109 -9.601 -7.162 -15.314 1.00 0.00 H new ATOM 0 HG11 VAL B 109 -9.955 -5.382 -13.637 1.00 0.00 H new ATOM 0 HG12 VAL B 109 -11.392 -5.625 -14.659 1.00 0.00 H new ATOM 0 HG13 VAL B 109 -11.360 -6.271 -13.001 1.00 0.00 H new ATOM 0 HG21 VAL B 109 -8.439 -7.250 -13.150 1.00 0.00 H new ATOM 0 HG22 VAL B 109 -9.770 -8.223 -12.481 1.00 0.00 H new ATOM 0 HG23 VAL B 109 -8.767 -8.874 -13.798 1.00 0.00 H new ATOM 1326 N ASP B 110 -10.223 -8.416 -17.009 1.00 0.00 N ATOM 1327 CA ASP B 110 -9.955 -8.893 -18.384 1.00 0.00 C ATOM 1328 C ASP B 110 -10.695 -7.981 -19.371 1.00 0.00 C ATOM 1329 O ASP B 110 -10.729 -8.213 -20.579 1.00 0.00 O ATOM 1330 CB ASP B 110 -10.412 -10.328 -18.572 1.00 0.00 C ATOM 1331 CG ASP B 110 -9.780 -11.009 -19.767 1.00 0.00 C ATOM 1332 OD1 ASP B 110 -8.548 -11.199 -19.758 1.00 0.00 O ATOM 1333 OD2 ASP B 110 -10.520 -11.364 -20.706 1.00 0.00 O ATOM 0 H ASP B 110 -9.728 -7.555 -16.777 1.00 0.00 H new ATOM 0 HA ASP B 110 -8.881 -8.861 -18.564 1.00 0.00 H new ATOM 0 HB2 ASP B 110 -10.177 -10.897 -17.673 1.00 0.00 H new ATOM 0 HB3 ASP B 110 -11.496 -10.344 -18.685 1.00 0.00 H new ATOM 1338 N SER B 111 -11.260 -6.926 -18.805 1.00 0.00 N ATOM 1339 CA SER B 111 -11.995 -5.915 -19.540 1.00 0.00 C ATOM 1340 C SER B 111 -11.894 -4.559 -18.838 1.00 0.00 C ATOM 1341 O SER B 111 -11.774 -3.528 -19.499 1.00 0.00 O ATOM 1342 CB SER B 111 -13.466 -6.321 -19.672 1.00 0.00 C ATOM 1343 OG SER B 111 -13.933 -6.141 -20.999 1.00 0.00 O ATOM 0 H SER B 111 -11.218 -6.747 -17.802 1.00 0.00 H new ATOM 0 HA SER B 111 -11.557 -5.829 -20.534 1.00 0.00 H new ATOM 0 HB2 SER B 111 -13.585 -7.365 -19.381 1.00 0.00 H new ATOM 0 HB3 SER B 111 -14.072 -5.728 -18.987 1.00 0.00 H new ATOM 0 HG SER B 111 -14.874 -6.410 -21.054 1.00 0.00 H new ATOM 1349 N ASP B 112 -12.001 -4.552 -17.499 1.00 0.00 N ATOM 1350 CA ASP B 112 -11.985 -3.306 -16.751 1.00 0.00 C ATOM 1351 C ASP B 112 -10.584 -2.679 -16.537 1.00 0.00 C ATOM 1352 O ASP B 112 -10.290 -2.169 -15.466 1.00 0.00 O ATOM 1353 CB ASP B 112 -12.704 -3.533 -15.424 1.00 0.00 C ATOM 1354 CG ASP B 112 -14.097 -2.946 -15.425 1.00 0.00 C ATOM 1355 OD1 ASP B 112 -14.229 -1.736 -15.149 1.00 0.00 O ATOM 1356 OD2 ASP B 112 -15.053 -3.695 -15.712 1.00 0.00 O ATOM 0 H ASP B 112 -12.098 -5.391 -16.927 1.00 0.00 H new ATOM 0 HA ASP B 112 -12.505 -2.565 -17.358 1.00 0.00 H new ATOM 0 HB2 ASP B 112 -12.762 -4.603 -15.222 1.00 0.00 H new ATOM 0 HB3 ASP B 112 -12.123 -3.087 -14.617 1.00 0.00 H new ATOM 1361 N SER B 113 -9.731 -2.674 -17.558 1.00 0.00 N ATOM 1362 CA SER B 113 -8.402 -2.042 -17.460 1.00 0.00 C ATOM 1363 C SER B 113 -7.417 -2.739 -16.513 1.00 0.00 C ATOM 1364 O SER B 113 -6.264 -2.310 -16.423 1.00 0.00 O ATOM 1365 CB SER B 113 -8.559 -0.587 -17.019 1.00 0.00 C ATOM 1366 OG SER B 113 -9.112 0.202 -18.061 1.00 0.00 O ATOM 0 H SER B 113 -9.928 -3.098 -18.465 1.00 0.00 H new ATOM 0 HA SER B 113 -7.972 -2.124 -18.458 1.00 0.00 H new ATOM 0 HB2 SER B 113 -9.201 -0.537 -16.140 1.00 0.00 H new ATOM 0 HB3 SER B 113 -7.589 -0.184 -16.729 1.00 0.00 H new ATOM 0 HG SER B 113 -9.759 0.834 -17.684 1.00 0.00 H new ATOM 1372 N TYR B 114 -7.830 -3.806 -15.824 1.00 0.00 N ATOM 1373 CA TYR B 114 -6.910 -4.505 -14.921 1.00 0.00 C ATOM 1374 C TYR B 114 -5.628 -4.914 -15.665 1.00 0.00 C ATOM 1375 O TYR B 114 -4.513 -4.689 -15.194 1.00 0.00 O ATOM 1376 CB TYR B 114 -7.525 -5.768 -14.331 1.00 0.00 C ATOM 1377 CG TYR B 114 -6.479 -6.839 -14.092 1.00 0.00 C ATOM 1378 CD1 TYR B 114 -5.658 -6.812 -12.968 1.00 0.00 C ATOM 1379 CD2 TYR B 114 -6.282 -7.846 -15.022 1.00 0.00 C ATOM 1380 CE1 TYR B 114 -4.676 -7.764 -12.779 1.00 0.00 C ATOM 1381 CE2 TYR B 114 -5.310 -8.803 -14.842 1.00 0.00 C ATOM 1382 CZ TYR B 114 -4.503 -8.761 -13.720 1.00 0.00 C ATOM 1383 OH TYR B 114 -3.532 -9.723 -13.547 1.00 0.00 O ATOM 0 H TYR B 114 -8.771 -4.198 -15.870 1.00 0.00 H new ATOM 0 HA TYR B 114 -6.687 -3.806 -14.115 1.00 0.00 H new ATOM 0 HB2 TYR B 114 -8.021 -5.527 -13.391 1.00 0.00 H new ATOM 0 HB3 TYR B 114 -8.290 -6.150 -15.006 1.00 0.00 H new ATOM 0 HD1 TYR B 114 -5.791 -6.033 -12.232 1.00 0.00 H new ATOM 0 HD2 TYR B 114 -6.903 -7.881 -15.905 1.00 0.00 H new ATOM 0 HE1 TYR B 114 -4.047 -7.730 -11.902 1.00 0.00 H new ATOM 0 HE2 TYR B 114 -5.178 -9.585 -15.575 1.00 0.00 H new ATOM 0 HH TYR B 114 -2.953 -9.472 -12.797 1.00 0.00 H new ATOM 1393 N GLN B 115 -5.816 -5.574 -16.810 1.00 0.00 N ATOM 1394 CA GLN B 115 -4.698 -6.094 -17.605 1.00 0.00 C ATOM 1395 C GLN B 115 -3.610 -5.045 -17.864 1.00 0.00 C ATOM 1396 O GLN B 115 -2.427 -5.350 -17.746 1.00 0.00 O ATOM 1397 CB GLN B 115 -5.183 -6.673 -18.945 1.00 0.00 C ATOM 1398 CG GLN B 115 -6.442 -7.537 -18.867 1.00 0.00 C ATOM 1399 CD GLN B 115 -6.140 -9.020 -18.846 1.00 0.00 C ATOM 1400 OE1 GLN B 115 -5.294 -9.512 -19.594 1.00 0.00 O ATOM 1401 NE2 GLN B 115 -6.819 -9.745 -17.974 1.00 0.00 N ATOM 0 H GLN B 115 -6.735 -5.762 -17.210 1.00 0.00 H new ATOM 0 HA GLN B 115 -4.256 -6.890 -17.006 1.00 0.00 H new ATOM 0 HB2 GLN B 115 -5.371 -5.848 -19.632 1.00 0.00 H new ATOM 0 HB3 GLN B 115 -4.379 -7.270 -19.376 1.00 0.00 H new ATOM 0 HG2 GLN B 115 -7.002 -7.273 -17.970 1.00 0.00 H new ATOM 0 HG3 GLN B 115 -7.083 -7.314 -19.720 1.00 0.00 H new ATOM 0 HE21 GLN B 115 -7.512 -9.301 -17.371 1.00 0.00 H new ATOM 0 HE22 GLN B 115 -6.650 -10.748 -17.904 1.00 0.00 H new ATOM 1410 N LEU B 116 -3.999 -3.823 -18.217 1.00 0.00 N ATOM 1411 CA LEU B 116 -3.022 -2.759 -18.489 1.00 0.00 C ATOM 1412 C LEU B 116 -2.030 -2.566 -17.322 1.00 0.00 C ATOM 1413 O LEU B 116 -0.885 -2.172 -17.533 1.00 0.00 O ATOM 1414 CB LEU B 116 -3.748 -1.449 -18.807 1.00 0.00 C ATOM 1415 CG LEU B 116 -3.359 -0.797 -20.137 1.00 0.00 C ATOM 1416 CD1 LEU B 116 -4.117 0.505 -20.338 1.00 0.00 C ATOM 1417 CD2 LEU B 116 -1.859 -0.555 -20.199 1.00 0.00 C ATOM 0 H LEU B 116 -4.974 -3.541 -18.322 1.00 0.00 H new ATOM 0 HA LEU B 116 -2.435 -3.063 -19.356 1.00 0.00 H new ATOM 0 HB2 LEU B 116 -4.821 -1.639 -18.813 1.00 0.00 H new ATOM 0 HB3 LEU B 116 -3.555 -0.740 -18.002 1.00 0.00 H new ATOM 0 HG LEU B 116 -3.630 -1.480 -20.942 1.00 0.00 H new ATOM 0 HD11 LEU B 116 -3.826 0.952 -21.289 1.00 0.00 H new ATOM 0 HD12 LEU B 116 -5.188 0.305 -20.344 1.00 0.00 H new ATOM 0 HD13 LEU B 116 -3.881 1.193 -19.526 1.00 0.00 H new ATOM 0 HD21 LEU B 116 -1.604 -0.091 -21.152 1.00 0.00 H new ATOM 0 HD22 LEU B 116 -1.563 0.105 -19.384 1.00 0.00 H new ATOM 0 HD23 LEU B 116 -1.333 -1.505 -20.106 1.00 0.00 H new ATOM 1429 N LEU B 117 -2.470 -2.887 -16.104 1.00 0.00 N ATOM 1430 CA LEU B 117 -1.601 -2.783 -14.916 1.00 0.00 C ATOM 1431 C LEU B 117 -0.630 -3.956 -14.848 1.00 0.00 C ATOM 1432 O LEU B 117 0.590 -3.783 -14.782 1.00 0.00 O ATOM 1433 CB LEU B 117 -2.422 -2.753 -13.639 1.00 0.00 C ATOM 1434 CG LEU B 117 -2.193 -1.543 -12.731 1.00 0.00 C ATOM 1435 CD1 LEU B 117 -0.882 -1.681 -11.978 1.00 0.00 C ATOM 1436 CD2 LEU B 117 -2.210 -0.253 -13.535 1.00 0.00 C ATOM 0 H LEU B 117 -3.414 -3.219 -15.908 1.00 0.00 H new ATOM 0 HA LEU B 117 -1.042 -1.852 -15.007 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -3.478 -2.788 -13.907 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -2.207 -3.657 -13.069 1.00 0.00 H new ATOM 0 HG LEU B 117 -3.006 -1.505 -12.006 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -0.737 -0.811 -11.338 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -0.907 -2.582 -11.365 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -0.059 -1.749 -12.690 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -2.045 0.593 -12.868 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -1.421 -0.282 -14.286 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -3.176 -0.144 -14.028 1.00 0.00 H new ATOM 1448 N LYS B 118 -1.200 -5.154 -14.871 1.00 0.00 N ATOM 1449 CA LYS B 118 -0.437 -6.390 -14.818 1.00 0.00 C ATOM 1450 C LYS B 118 0.412 -6.554 -16.065 1.00 0.00 C ATOM 1451 O LYS B 118 1.451 -7.213 -16.046 1.00 0.00 O ATOM 1452 CB LYS B 118 -1.384 -7.574 -14.646 1.00 0.00 C ATOM 1453 CG LYS B 118 -2.437 -7.658 -15.733 1.00 0.00 C ATOM 1454 CD LYS B 118 -2.569 -9.090 -16.243 1.00 0.00 C ATOM 1455 CE LYS B 118 -3.084 -9.144 -17.667 1.00 0.00 C ATOM 1456 NZ LYS B 118 -3.652 -10.481 -18.004 1.00 0.00 N ATOM 0 H LYS B 118 -2.209 -5.294 -14.927 1.00 0.00 H new ATOM 0 HA LYS B 118 0.236 -6.351 -13.962 1.00 0.00 H new ATOM 0 HB2 LYS B 118 -0.804 -8.497 -14.639 1.00 0.00 H new ATOM 0 HB3 LYS B 118 -1.877 -7.499 -13.677 1.00 0.00 H new ATOM 0 HG2 LYS B 118 -3.396 -7.314 -15.345 1.00 0.00 H new ATOM 0 HG3 LYS B 118 -2.171 -6.996 -16.557 1.00 0.00 H new ATOM 0 HD2 LYS B 118 -1.599 -9.584 -16.190 1.00 0.00 H new ATOM 0 HD3 LYS B 118 -3.245 -9.645 -15.592 1.00 0.00 H new ATOM 0 HE2 LYS B 118 -3.849 -8.380 -17.805 1.00 0.00 H new ATOM 0 HE3 LYS B 118 -2.272 -8.911 -18.356 1.00 0.00 H new ATOM 0 HZ1 LYS B 118 -4.242 -10.403 -18.857 1.00 0.00 H new ATOM 0 HZ2 LYS B 118 -2.878 -11.153 -18.179 1.00 0.00 H new ATOM 0 HZ3 LYS B 118 -4.233 -10.821 -17.211 1.00 0.00 H new ATOM 1470 N ALA B 119 -0.038 -5.923 -17.140 1.00 0.00 N ATOM 1471 CA ALA B 119 0.672 -5.955 -18.407 1.00 0.00 C ATOM 1472 C ALA B 119 2.114 -5.483 -18.211 1.00 0.00 C ATOM 1473 O ALA B 119 3.022 -5.902 -18.927 1.00 0.00 O ATOM 1474 CB ALA B 119 -0.042 -5.097 -19.444 1.00 0.00 C ATOM 0 H ALA B 119 -0.900 -5.378 -17.157 1.00 0.00 H new ATOM 0 HA ALA B 119 0.689 -6.981 -18.774 1.00 0.00 H new ATOM 0 HB1 ALA B 119 0.505 -5.134 -20.386 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -1.053 -5.476 -19.596 1.00 0.00 H new ATOM 0 HB3 ALA B 119 -0.090 -4.066 -19.093 1.00 0.00 H new ATOM 1480 N TYR B 120 2.306 -4.622 -17.207 1.00 0.00 N ATOM 1481 CA TYR B 120 3.619 -4.103 -16.867 1.00 0.00 C ATOM 1482 C TYR B 120 4.304 -5.035 -15.868 1.00 0.00 C ATOM 1483 O TYR B 120 5.498 -5.307 -15.999 1.00 0.00 O ATOM 1484 CB TYR B 120 3.504 -2.700 -16.261 1.00 0.00 C ATOM 1485 CG TYR B 120 2.785 -1.692 -17.129 1.00 0.00 C ATOM 1486 CD1 TYR B 120 2.767 -1.807 -18.514 1.00 0.00 C ATOM 1487 CD2 TYR B 120 2.123 -0.618 -16.554 1.00 0.00 C ATOM 1488 CE1 TYR B 120 2.110 -0.876 -19.296 1.00 0.00 C ATOM 1489 CE2 TYR B 120 1.470 0.309 -17.324 1.00 0.00 C ATOM 1490 CZ TYR B 120 1.463 0.181 -18.694 1.00 0.00 C ATOM 1491 OH TYR B 120 0.811 1.114 -19.465 1.00 0.00 O ATOM 0 H TYR B 120 1.554 -4.271 -16.614 1.00 0.00 H new ATOM 0 HA TYR B 120 4.213 -4.045 -17.779 1.00 0.00 H new ATOM 0 HB2 TYR B 120 2.983 -2.773 -15.306 1.00 0.00 H new ATOM 0 HB3 TYR B 120 4.506 -2.327 -16.050 1.00 0.00 H new ATOM 0 HD1 TYR B 120 3.274 -2.636 -18.986 1.00 0.00 H new ATOM 0 HD2 TYR B 120 2.122 -0.510 -15.479 1.00 0.00 H new ATOM 0 HE1 TYR B 120 2.104 -0.976 -20.371 1.00 0.00 H new ATOM 0 HE2 TYR B 120 0.962 1.139 -16.856 1.00 0.00 H new ATOM 0 HH TYR B 120 0.159 1.595 -18.914 1.00 0.00 H new ATOM 1501 N ASP B 121 3.516 -5.502 -14.876 1.00 0.00 N ATOM 1502 CA ASP B 121 3.981 -6.413 -13.806 1.00 0.00 C ATOM 1503 C ASP B 121 3.758 -5.763 -12.440 1.00 0.00 C ATOM 1504 O ASP B 121 4.698 -5.470 -11.697 1.00 0.00 O ATOM 1505 CB ASP B 121 5.448 -6.822 -13.980 1.00 0.00 C ATOM 1506 CG ASP B 121 5.841 -7.990 -13.098 1.00 0.00 C ATOM 1507 OD1 ASP B 121 5.307 -9.099 -13.306 1.00 0.00 O ATOM 1508 OD2 ASP B 121 6.689 -7.797 -12.202 1.00 0.00 O ATOM 0 H ASP B 121 2.530 -5.255 -14.794 1.00 0.00 H new ATOM 0 HA ASP B 121 3.393 -7.328 -13.873 1.00 0.00 H new ATOM 0 HB2 ASP B 121 5.626 -7.084 -15.023 1.00 0.00 H new ATOM 0 HB3 ASP B 121 6.088 -5.969 -13.752 1.00 0.00 H new ATOM 1513 N VAL B 122 2.489 -5.516 -12.147 1.00 0.00 N ATOM 1514 CA VAL B 122 2.070 -4.872 -10.903 1.00 0.00 C ATOM 1515 C VAL B 122 0.756 -5.448 -10.409 1.00 0.00 C ATOM 1516 O VAL B 122 0.622 -5.780 -9.227 1.00 0.00 O ATOM 1517 CB VAL B 122 1.900 -3.347 -11.111 1.00 0.00 C ATOM 1518 CG1 VAL B 122 1.520 -2.656 -9.812 1.00 0.00 C ATOM 1519 CG2 VAL B 122 3.159 -2.722 -11.696 1.00 0.00 C ATOM 0 H VAL B 122 1.715 -5.757 -12.766 1.00 0.00 H new ATOM 0 HA VAL B 122 2.846 -5.058 -10.160 1.00 0.00 H new ATOM 0 HB VAL B 122 1.089 -3.206 -11.825 1.00 0.00 H new ATOM 0 HG11 VAL B 122 1.407 -1.586 -9.988 1.00 0.00 H new ATOM 0 HG12 VAL B 122 0.579 -3.064 -9.445 1.00 0.00 H new ATOM 0 HG13 VAL B 122 2.301 -2.821 -9.070 1.00 0.00 H new ATOM 0 HG21 VAL B 122 3.005 -1.651 -11.829 1.00 0.00 H new ATOM 0 HG22 VAL B 122 3.996 -2.887 -11.018 1.00 0.00 H new ATOM 0 HG23 VAL B 122 3.378 -3.180 -12.661 1.00 0.00 H new ATOM 1529 N ASN B 123 -0.228 -5.540 -11.304 1.00 0.00 N ATOM 1530 CA ASN B 123 -1.537 -6.041 -10.934 1.00 0.00 C ATOM 1531 C ASN B 123 -2.151 -5.066 -9.930 1.00 0.00 C ATOM 1532 O ASN B 123 -2.427 -3.914 -10.274 1.00 0.00 O ATOM 1533 CB ASN B 123 -1.436 -7.469 -10.364 1.00 0.00 C ATOM 1534 CG ASN B 123 -0.964 -8.482 -11.390 1.00 0.00 C ATOM 1535 OD1 ASN B 123 -1.761 -9.031 -12.144 1.00 0.00 O ATOM 1536 ND2 ASN B 123 0.335 -8.739 -11.419 1.00 0.00 N ATOM 0 H ASN B 123 -0.137 -5.274 -12.284 1.00 0.00 H new ATOM 0 HA ASN B 123 -2.181 -6.106 -11.811 1.00 0.00 H new ATOM 0 HB2 ASN B 123 -0.749 -7.469 -9.518 1.00 0.00 H new ATOM 0 HB3 ASN B 123 -2.411 -7.773 -9.983 1.00 0.00 H new ATOM 0 HD21 ASN B 123 0.706 -9.416 -12.086 1.00 0.00 H new ATOM 0 HD22 ASN B 123 0.964 -8.260 -10.774 1.00 0.00 H new ATOM 1543 N ILE B 124 -2.349 -5.498 -8.693 1.00 0.00 N ATOM 1544 CA ILE B 124 -2.917 -4.601 -7.693 1.00 0.00 C ATOM 1545 C ILE B 124 -2.411 -4.828 -6.276 1.00 0.00 C ATOM 1546 O ILE B 124 -2.917 -4.195 -5.348 1.00 0.00 O ATOM 1547 CB ILE B 124 -4.453 -4.634 -7.653 1.00 0.00 C ATOM 1548 CG1 ILE B 124 -5.011 -5.754 -8.509 1.00 0.00 C ATOM 1549 CG2 ILE B 124 -5.025 -3.301 -8.102 1.00 0.00 C ATOM 1550 CD1 ILE B 124 -4.427 -7.094 -8.161 1.00 0.00 C ATOM 0 H ILE B 124 -2.132 -6.438 -8.362 1.00 0.00 H new ATOM 0 HA ILE B 124 -2.572 -3.624 -8.031 1.00 0.00 H new ATOM 0 HB ILE B 124 -4.750 -4.821 -6.621 1.00 0.00 H new ATOM 0 HG12 ILE B 124 -6.094 -5.792 -8.390 1.00 0.00 H new ATOM 0 HG13 ILE B 124 -4.813 -5.537 -9.559 1.00 0.00 H new ATOM 0 HG21 ILE B 124 -6.114 -3.342 -8.068 1.00 0.00 H new ATOM 0 HG22 ILE B 124 -4.671 -2.511 -7.440 1.00 0.00 H new ATOM 0 HG23 ILE B 124 -4.702 -3.091 -9.122 1.00 0.00 H new ATOM 0 HD11 ILE B 124 -4.862 -7.859 -8.805 1.00 0.00 H new ATOM 0 HD12 ILE B 124 -3.347 -7.069 -8.306 1.00 0.00 H new ATOM 0 HD13 ILE B 124 -4.648 -7.328 -7.120 1.00 0.00 H new ATOM 1562 N SER B 125 -1.456 -5.738 -6.089 1.00 0.00 N ATOM 1563 CA SER B 125 -0.962 -6.020 -4.737 1.00 0.00 C ATOM 1564 C SER B 125 -0.826 -4.710 -3.946 1.00 0.00 C ATOM 1565 O SER B 125 -1.557 -4.470 -2.972 1.00 0.00 O ATOM 1566 CB SER B 125 0.382 -6.745 -4.799 1.00 0.00 C ATOM 1567 OG SER B 125 0.973 -6.853 -3.514 1.00 0.00 O ATOM 0 H SER B 125 -1.017 -6.281 -6.833 1.00 0.00 H new ATOM 0 HA SER B 125 -1.678 -6.667 -4.230 1.00 0.00 H new ATOM 0 HB2 SER B 125 0.241 -7.740 -5.221 1.00 0.00 H new ATOM 0 HB3 SER B 125 1.056 -6.208 -5.467 1.00 0.00 H new ATOM 0 HG SER B 125 1.830 -7.323 -3.587 1.00 0.00 H new ATOM 1573 N GLY B 126 0.078 -3.844 -4.406 1.00 0.00 N ATOM 1574 CA GLY B 126 0.267 -2.550 -3.772 1.00 0.00 C ATOM 1575 C GLY B 126 -0.687 -1.507 -4.325 1.00 0.00 C ATOM 1576 O GLY B 126 -1.022 -0.543 -3.640 1.00 0.00 O ATOM 0 H GLY B 126 0.683 -4.018 -5.208 1.00 0.00 H new ATOM 0 HA2 GLY B 126 0.117 -2.647 -2.697 1.00 0.00 H new ATOM 0 HA3 GLY B 126 1.295 -2.218 -3.922 1.00 0.00 H new ATOM 1580 N LEU B 127 -1.140 -1.711 -5.567 1.00 0.00 N ATOM 1581 CA LEU B 127 -2.072 -0.792 -6.210 1.00 0.00 C ATOM 1582 C LEU B 127 -3.368 -0.709 -5.422 1.00 0.00 C ATOM 1583 O LEU B 127 -3.715 0.352 -4.916 1.00 0.00 O ATOM 1584 CB LEU B 127 -2.375 -1.245 -7.635 1.00 0.00 C ATOM 1585 CG LEU B 127 -2.793 -0.140 -8.597 1.00 0.00 C ATOM 1586 CD1 LEU B 127 -1.571 0.540 -9.182 1.00 0.00 C ATOM 1587 CD2 LEU B 127 -3.671 -0.713 -9.697 1.00 0.00 C ATOM 0 H LEU B 127 -0.872 -2.508 -6.144 1.00 0.00 H new ATOM 0 HA LEU B 127 -1.606 0.193 -6.239 1.00 0.00 H new ATOM 0 HB2 LEU B 127 -1.490 -1.738 -8.037 1.00 0.00 H new ATOM 0 HB3 LEU B 127 -3.168 -1.992 -7.600 1.00 0.00 H new ATOM 0 HG LEU B 127 -3.368 0.607 -8.050 1.00 0.00 H new ATOM 0 HD11 LEU B 127 -1.886 1.327 -9.867 1.00 0.00 H new ATOM 0 HD12 LEU B 127 -0.977 0.975 -8.378 1.00 0.00 H new ATOM 0 HD13 LEU B 127 -0.971 -0.192 -9.722 1.00 0.00 H new ATOM 0 HD21 LEU B 127 -3.965 0.084 -10.380 1.00 0.00 H new ATOM 0 HD22 LEU B 127 -3.117 -1.475 -10.245 1.00 0.00 H new ATOM 0 HD23 LEU B 127 -4.562 -1.160 -9.256 1.00 0.00 H new ATOM 1599 N VAL B 128 -4.067 -1.843 -5.293 1.00 0.00 N ATOM 1600 CA VAL B 128 -5.311 -1.880 -4.535 1.00 0.00 C ATOM 1601 C VAL B 128 -5.066 -1.292 -3.157 1.00 0.00 C ATOM 1602 O VAL B 128 -5.585 -0.249 -2.822 1.00 0.00 O ATOM 1603 CB VAL B 128 -5.882 -3.323 -4.414 1.00 0.00 C ATOM 1604 CG1 VAL B 128 -6.782 -3.478 -3.195 1.00 0.00 C ATOM 1605 CG2 VAL B 128 -6.641 -3.691 -5.673 1.00 0.00 C ATOM 0 H VAL B 128 -3.791 -2.736 -5.701 1.00 0.00 H new ATOM 0 HA VAL B 128 -6.055 -1.289 -5.069 1.00 0.00 H new ATOM 0 HB VAL B 128 -5.038 -4.001 -4.288 1.00 0.00 H new ATOM 0 HG11 VAL B 128 -7.159 -4.500 -3.149 1.00 0.00 H new ATOM 0 HG12 VAL B 128 -6.212 -3.260 -2.292 1.00 0.00 H new ATOM 0 HG13 VAL B 128 -7.620 -2.785 -3.271 1.00 0.00 H new ATOM 0 HG21 VAL B 128 -7.036 -4.702 -5.577 1.00 0.00 H new ATOM 0 HG22 VAL B 128 -7.465 -2.992 -5.819 1.00 0.00 H new ATOM 0 HG23 VAL B 128 -5.969 -3.644 -6.530 1.00 0.00 H new ATOM 1615 N SER B 129 -4.250 -1.964 -2.375 1.00 0.00 N ATOM 1616 CA SER B 129 -3.929 -1.532 -1.026 1.00 0.00 C ATOM 1617 C SER B 129 -3.570 -0.042 -0.924 1.00 0.00 C ATOM 1618 O SER B 129 -4.067 0.638 -0.024 1.00 0.00 O ATOM 1619 CB SER B 129 -2.762 -2.370 -0.510 1.00 0.00 C ATOM 1620 OG SER B 129 -1.739 -2.478 -1.488 1.00 0.00 O ATOM 0 H SER B 129 -3.787 -2.829 -2.655 1.00 0.00 H new ATOM 0 HA SER B 129 -4.825 -1.675 -0.422 1.00 0.00 H new ATOM 0 HB2 SER B 129 -2.358 -1.917 0.395 1.00 0.00 H new ATOM 0 HB3 SER B 129 -3.116 -3.364 -0.238 1.00 0.00 H new ATOM 0 HG SER B 129 -1.537 -3.424 -1.647 1.00 0.00 H new ATOM 1626 N THR B 130 -2.753 0.491 -1.831 1.00 0.00 N ATOM 1627 CA THR B 130 -2.424 1.915 -1.768 1.00 0.00 C ATOM 1628 C THR B 130 -3.609 2.729 -2.261 1.00 0.00 C ATOM 1629 O THR B 130 -3.991 3.731 -1.654 1.00 0.00 O ATOM 1630 CB THR B 130 -1.162 2.251 -2.576 1.00 0.00 C ATOM 1631 OG1 THR B 130 -0.381 3.218 -1.893 1.00 0.00 O ATOM 1632 CG2 THR B 130 -1.437 2.799 -3.962 1.00 0.00 C ATOM 0 H THR B 130 -2.318 -0.023 -2.597 1.00 0.00 H new ATOM 0 HA THR B 130 -2.212 2.170 -0.730 1.00 0.00 H new ATOM 0 HB THR B 130 -0.640 1.300 -2.683 1.00 0.00 H new ATOM 0 HG1 THR B 130 0.421 3.421 -2.418 1.00 0.00 H new ATOM 0 HG21 THR B 130 -0.493 3.010 -4.464 1.00 0.00 H new ATOM 0 HG22 THR B 130 -1.999 2.064 -4.539 1.00 0.00 H new ATOM 0 HG23 THR B 130 -2.018 3.718 -3.881 1.00 0.00 H new ATOM 1640 N THR B 131 -4.200 2.270 -3.359 1.00 0.00 N ATOM 1641 CA THR B 131 -5.358 2.928 -3.938 1.00 0.00 C ATOM 1642 C THR B 131 -6.505 2.969 -2.935 1.00 0.00 C ATOM 1643 O THR B 131 -7.213 3.969 -2.823 1.00 0.00 O ATOM 1644 CB THR B 131 -5.807 2.207 -5.212 1.00 0.00 C ATOM 1645 OG1 THR B 131 -4.873 2.408 -6.256 1.00 0.00 O ATOM 1646 CG2 THR B 131 -7.156 2.658 -5.721 1.00 0.00 C ATOM 0 H THR B 131 -3.892 1.440 -3.866 1.00 0.00 H new ATOM 0 HA THR B 131 -5.075 3.949 -4.194 1.00 0.00 H new ATOM 0 HB THR B 131 -5.877 1.156 -4.932 1.00 0.00 H new ATOM 0 HG1 THR B 131 -4.121 1.790 -6.146 1.00 0.00 H new ATOM 0 HG21 THR B 131 -7.408 2.104 -6.625 1.00 0.00 H new ATOM 0 HG22 THR B 131 -7.913 2.472 -4.959 1.00 0.00 H new ATOM 0 HG23 THR B 131 -7.122 3.724 -5.946 1.00 0.00 H new ATOM 1654 N MET B 132 -6.672 1.872 -2.197 1.00 0.00 N ATOM 1655 CA MET B 132 -7.717 1.767 -1.201 1.00 0.00 C ATOM 1656 C MET B 132 -7.556 2.818 -0.119 1.00 0.00 C ATOM 1657 O MET B 132 -8.452 3.604 0.093 1.00 0.00 O ATOM 1658 CB MET B 132 -7.729 0.363 -0.598 1.00 0.00 C ATOM 1659 CG MET B 132 -7.992 -0.708 -1.639 1.00 0.00 C ATOM 1660 SD MET B 132 -9.684 -0.715 -2.219 1.00 0.00 S ATOM 1661 CE MET B 132 -9.921 -2.460 -2.440 1.00 0.00 C ATOM 0 H MET B 132 -6.087 1.041 -2.278 1.00 0.00 H new ATOM 0 HA MET B 132 -8.674 1.946 -1.691 1.00 0.00 H new ATOM 0 HB2 MET B 132 -6.771 0.169 -0.115 1.00 0.00 H new ATOM 0 HB3 MET B 132 -8.494 0.309 0.177 1.00 0.00 H new ATOM 0 HG2 MET B 132 -7.323 -0.556 -2.486 1.00 0.00 H new ATOM 0 HG3 MET B 132 -7.754 -1.684 -1.217 1.00 0.00 H new ATOM 0 HE1 MET B 132 -10.986 -2.675 -2.522 1.00 0.00 H new ATOM 0 HE2 MET B 132 -9.415 -2.784 -3.349 1.00 0.00 H new ATOM 0 HE3 MET B 132 -9.508 -2.995 -1.585 1.00 0.00 H new ATOM 1671 N GLN B 133 -6.418 2.848 0.559 1.00 0.00 N ATOM 1672 CA GLN B 133 -6.203 3.841 1.612 1.00 0.00 C ATOM 1673 C GLN B 133 -6.454 5.264 1.109 1.00 0.00 C ATOM 1674 O GLN B 133 -6.946 6.115 1.854 1.00 0.00 O ATOM 1675 CB GLN B 133 -4.792 3.697 2.193 1.00 0.00 C ATOM 1676 CG GLN B 133 -3.823 4.818 1.820 1.00 0.00 C ATOM 1677 CD GLN B 133 -3.874 5.990 2.784 1.00 0.00 C ATOM 1678 OE1 GLN B 133 -4.052 5.815 3.987 1.00 0.00 O ATOM 1679 NE2 GLN B 133 -3.718 7.195 2.260 1.00 0.00 N ATOM 0 H GLN B 133 -5.638 2.209 0.406 1.00 0.00 H new ATOM 0 HA GLN B 133 -6.926 3.654 2.406 1.00 0.00 H new ATOM 0 HB2 GLN B 133 -4.866 3.647 3.279 1.00 0.00 H new ATOM 0 HB3 GLN B 133 -4.373 2.748 1.858 1.00 0.00 H new ATOM 0 HG2 GLN B 133 -2.809 4.420 1.793 1.00 0.00 H new ATOM 0 HG3 GLN B 133 -4.054 5.171 0.815 1.00 0.00 H new ATOM 0 HE21 GLN B 133 -3.572 7.300 1.256 1.00 0.00 H new ATOM 0 HE22 GLN B 133 -3.743 8.019 2.860 1.00 0.00 H new ATOM 1688 N ASN B 134 -6.130 5.519 -0.156 1.00 0.00 N ATOM 1689 CA ASN B 134 -6.336 6.841 -0.739 1.00 0.00 C ATOM 1690 C ASN B 134 -7.799 7.049 -1.134 1.00 0.00 C ATOM 1691 O ASN B 134 -8.401 8.064 -0.772 1.00 0.00 O ATOM 1692 CB ASN B 134 -5.399 7.040 -1.937 1.00 0.00 C ATOM 1693 CG ASN B 134 -3.937 7.029 -1.531 1.00 0.00 C ATOM 1694 OD1 ASN B 134 -3.583 7.449 -0.428 1.00 0.00 O ATOM 1695 ND2 ASN B 134 -3.077 6.549 -2.419 1.00 0.00 N ATOM 0 H ASN B 134 -5.726 4.832 -0.793 1.00 0.00 H new ATOM 0 HA ASN B 134 -6.096 7.593 0.013 1.00 0.00 H new ATOM 0 HB2 ASN B 134 -5.577 6.252 -2.669 1.00 0.00 H new ATOM 0 HB3 ASN B 134 -5.632 7.987 -2.424 1.00 0.00 H new ATOM 0 HD21 ASN B 134 -2.081 6.518 -2.200 1.00 0.00 H new ATOM 0 HD22 ASN B 134 -3.411 6.211 -3.321 1.00 0.00 H new ATOM 1702 N GLU B 135 -8.384 6.073 -1.829 1.00 0.00 N ATOM 1703 CA GLU B 135 -9.793 6.156 -2.214 1.00 0.00 C ATOM 1704 C GLU B 135 -10.684 5.941 -0.985 1.00 0.00 C ATOM 1705 O GLU B 135 -11.832 6.377 -0.952 1.00 0.00 O ATOM 1706 CB GLU B 135 -10.122 5.138 -3.310 1.00 0.00 C ATOM 1707 CG GLU B 135 -10.756 5.761 -4.551 1.00 0.00 C ATOM 1708 CD GLU B 135 -9.986 6.961 -5.079 1.00 0.00 C ATOM 1709 OE1 GLU B 135 -8.758 6.845 -5.267 1.00 0.00 O ATOM 1710 OE2 GLU B 135 -10.615 8.018 -5.305 1.00 0.00 O ATOM 0 H GLU B 135 -7.909 5.223 -2.134 1.00 0.00 H new ATOM 0 HA GLU B 135 -9.986 7.150 -2.617 1.00 0.00 H new ATOM 0 HB2 GLU B 135 -9.208 4.620 -3.600 1.00 0.00 H new ATOM 0 HB3 GLU B 135 -10.799 4.386 -2.905 1.00 0.00 H new ATOM 0 HG2 GLU B 135 -10.822 5.006 -5.335 1.00 0.00 H new ATOM 0 HG3 GLU B 135 -11.775 6.067 -4.316 1.00 0.00 H new ATOM 1717 N ALA B 136 -10.122 5.289 0.036 1.00 0.00 N ATOM 1718 CA ALA B 136 -10.821 5.034 1.288 1.00 0.00 C ATOM 1719 C ALA B 136 -10.962 6.335 2.055 1.00 0.00 C ATOM 1720 O ALA B 136 -12.038 6.661 2.566 1.00 0.00 O ATOM 1721 CB ALA B 136 -10.063 4.012 2.126 1.00 0.00 C ATOM 0 H ALA B 136 -9.169 4.925 0.013 1.00 0.00 H new ATOM 0 HA ALA B 136 -11.809 4.630 1.069 1.00 0.00 H new ATOM 0 HB1 ALA B 136 -10.601 3.835 3.057 1.00 0.00 H new ATOM 0 HB2 ALA B 136 -9.979 3.077 1.572 1.00 0.00 H new ATOM 0 HB3 ALA B 136 -9.066 4.392 2.349 1.00 0.00 H new ATOM 1727 N ARG B 137 -9.865 7.086 2.107 1.00 0.00 N ATOM 1728 CA ARG B 137 -9.859 8.375 2.775 1.00 0.00 C ATOM 1729 C ARG B 137 -10.729 9.358 2.018 1.00 0.00 C ATOM 1730 O ARG B 137 -11.626 9.991 2.572 1.00 0.00 O ATOM 1731 CB ARG B 137 -8.452 8.945 2.808 1.00 0.00 C ATOM 1732 CG ARG B 137 -7.783 8.869 4.167 1.00 0.00 C ATOM 1733 CD ARG B 137 -8.090 10.099 4.998 1.00 0.00 C ATOM 1734 NE ARG B 137 -7.580 9.972 6.366 1.00 0.00 N ATOM 1735 CZ ARG B 137 -6.296 10.053 6.701 1.00 0.00 C ATOM 1736 NH1 ARG B 137 -5.375 10.289 5.785 1.00 0.00 N ATOM 1737 NH2 ARG B 137 -5.936 9.900 7.959 1.00 0.00 N ATOM 0 H ARG B 137 -8.971 6.820 1.693 1.00 0.00 H new ATOM 0 HA ARG B 137 -10.235 8.228 3.787 1.00 0.00 H new ATOM 0 HB2 ARG B 137 -7.838 8.411 2.083 1.00 0.00 H new ATOM 0 HB3 ARG B 137 -8.486 9.987 2.490 1.00 0.00 H new ATOM 0 HG2 ARG B 137 -8.123 7.977 4.693 1.00 0.00 H new ATOM 0 HG3 ARG B 137 -6.705 8.773 4.040 1.00 0.00 H new ATOM 0 HD2 ARG B 137 -7.649 10.976 4.525 1.00 0.00 H new ATOM 0 HD3 ARG B 137 -9.168 10.260 5.025 1.00 0.00 H new ATOM 0 HE ARG B 137 -8.256 9.810 7.112 1.00 0.00 H new ATOM 0 HH11 ARG B 137 -5.646 10.411 4.809 1.00 0.00 H new ATOM 0 HH12 ARG B 137 -4.393 10.349 6.053 1.00 0.00 H new ATOM 0 HH21 ARG B 137 -6.642 9.720 8.673 1.00 0.00 H new ATOM 0 HH22 ARG B 137 -4.952 9.962 8.219 1.00 0.00 H new ATOM 1751 N ARG B 138 -10.391 9.510 0.746 1.00 0.00 N ATOM 1752 CA ARG B 138 -11.060 10.450 -0.132 1.00 0.00 C ATOM 1753 C ARG B 138 -12.512 10.063 -0.489 1.00 0.00 C ATOM 1754 O ARG B 138 -13.377 10.935 -0.536 1.00 0.00 O ATOM 1755 CB ARG B 138 -10.244 10.620 -1.422 1.00 0.00 C ATOM 1756 CG ARG B 138 -10.938 11.457 -2.492 1.00 0.00 C ATOM 1757 CD ARG B 138 -11.931 10.630 -3.301 1.00 0.00 C ATOM 1758 NE ARG B 138 -11.429 10.312 -4.639 1.00 0.00 N ATOM 1759 CZ ARG B 138 -11.425 11.154 -5.661 1.00 0.00 C ATOM 1760 NH1 ARG B 138 -11.896 12.379 -5.525 1.00 0.00 N ATOM 1761 NH2 ARG B 138 -10.951 10.765 -6.823 1.00 0.00 N ATOM 0 H ARG B 138 -9.643 8.982 0.296 1.00 0.00 H new ATOM 0 HA ARG B 138 -11.123 11.387 0.421 1.00 0.00 H new ATOM 0 HB2 ARG B 138 -9.289 11.083 -1.176 1.00 0.00 H new ATOM 0 HB3 ARG B 138 -10.024 9.635 -1.833 1.00 0.00 H new ATOM 0 HG2 ARG B 138 -11.458 12.291 -2.021 1.00 0.00 H new ATOM 0 HG3 ARG B 138 -10.191 11.884 -3.161 1.00 0.00 H new ATOM 0 HD2 ARG B 138 -12.149 9.705 -2.768 1.00 0.00 H new ATOM 0 HD3 ARG B 138 -12.870 11.177 -3.388 1.00 0.00 H new ATOM 0 HE ARG B 138 -11.056 9.376 -4.795 1.00 0.00 H new ATOM 0 HH11 ARG B 138 -12.268 12.686 -4.626 1.00 0.00 H new ATOM 0 HH12 ARG B 138 -11.888 13.019 -6.319 1.00 0.00 H new ATOM 0 HH21 ARG B 138 -10.588 9.818 -6.935 1.00 0.00 H new ATOM 0 HH22 ARG B 138 -10.946 11.410 -7.613 1.00 0.00 H new