USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=24 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 114 TYR OH : rot 165:sc= 0 USER MOD Set 1.2: B 123 ASN : amide:sc= -1.53 K(o=-1.5,f=-6.1!) USER MOD Set 2.1: A 31 THR OG1 : rot 95:sc= 1.53 USER MOD Set 2.2: B 131 THR OG1 : rot -162:sc= 0.357 USER MOD Set 2.3: B 134 ASN : amide:sc= -0.839 K(o=1,f=-0.099!) USER MOD Set 3.1: A 18 LYS NZ :NH3+ -153:sc= 0.838 (180deg=0) USER MOD Set 3.2: B 103 GLN : amide:sc= 0.305 K(o=1.1,f=-18!) USER MOD Set 4.1: A 14 TYR OH : rot -39:sc= -1.16! USER MOD Set 4.2: A 23 ASN : amide:sc= 0.136 K(o=-1,f=-8.6!) USER MOD Set 5.1: A 2 LYS NZ :NH3+ -105:sc= 0.455! (180deg=0) USER MOD Set 5.2: B 111 SER OG : rot -110:sc= 1.02 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 6 THR OG1 : rot 45:sc= -4.4! USER MOD Single : A 8 THR OG1 : rot 52:sc= 0.0134 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 140:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -1.32 K(o=-1.3,f=-3.4!) USER MOD Single : A 20 TYR OH : rot -129:sc= 0.851 USER MOD Single : A 25 SER OG : rot 180:sc= -0.0237 USER MOD Single : A 29 SER OG : rot -90:sc= 0.805 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -164:sc= -19.3! (180deg=-21.2!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 34 ASN : amide:sc= -2.66! C(o=-2.7!,f=-2.5!) USER MOD Single : B 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 106 THR OG1 : rot -134:sc= -3.25! USER MOD Single : B 108 THR OG1 : rot 180:sc= 0.0148 USER MOD Single : B 113 SER OG : rot -59:sc= 0.128 USER MOD Single : B 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 120 TYR OH : rot -170:sc= 0.883 USER MOD Single : B 125 SER OG : rot 180:sc=-0.00147 USER MOD Single : B 129 SER OG : rot 160:sc= -1.28 USER MOD Single : B 130 THR OG1 : rot 180:sc= 0 USER MOD Single : B 132 MET CE :methyl 162:sc= -19! (180deg=-19.6!) USER MOD Single : B 133 GLN : amide:sc= 0.467 X(o=0.47,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -13.678 -14.838 -17.921 1.00 0.00 N ATOM 21 CA LYS A 2 -13.275 -13.612 -17.218 1.00 0.00 C ATOM 22 C LYS A 2 -11.865 -13.764 -16.633 1.00 0.00 C ATOM 23 O LYS A 2 -11.277 -14.847 -16.694 1.00 0.00 O ATOM 24 CB LYS A 2 -14.273 -13.280 -16.100 1.00 0.00 C ATOM 25 CG LYS A 2 -15.653 -12.862 -16.598 1.00 0.00 C ATOM 26 CD LYS A 2 -15.570 -11.784 -17.674 1.00 0.00 C ATOM 27 CE LYS A 2 -15.210 -10.427 -17.098 1.00 0.00 C ATOM 28 NZ LYS A 2 -16.189 -9.376 -17.499 1.00 0.00 N ATOM 0 HA LYS A 2 -13.269 -12.794 -17.938 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -14.381 -14.151 -15.454 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -13.862 -12.478 -15.487 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -16.174 -13.733 -16.997 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -16.244 -12.493 -15.760 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -14.826 -12.071 -18.417 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -16.527 -11.715 -18.192 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -15.172 -10.492 -16.011 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -14.213 -10.142 -17.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -15.767 -8.769 -18.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -17.047 -9.827 -17.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -16.436 -8.798 -16.671 1.00 0.00 H new ATOM 42 N GLN A 3 -11.328 -12.683 -16.056 1.00 0.00 N ATOM 43 CA GLN A 3 -9.989 -12.726 -15.464 1.00 0.00 C ATOM 44 C GLN A 3 -10.019 -12.412 -13.976 1.00 0.00 C ATOM 45 O GLN A 3 -10.228 -11.269 -13.567 1.00 0.00 O ATOM 46 CB GLN A 3 -9.025 -11.764 -16.189 1.00 0.00 C ATOM 47 CG GLN A 3 -7.731 -11.493 -15.430 1.00 0.00 C ATOM 48 CD GLN A 3 -6.618 -12.464 -15.766 1.00 0.00 C ATOM 49 OE1 GLN A 3 -5.677 -12.121 -16.478 1.00 0.00 O ATOM 50 NE2 GLN A 3 -6.707 -13.674 -15.236 1.00 0.00 N ATOM 0 H GLN A 3 -11.794 -11.779 -15.987 1.00 0.00 H new ATOM 0 HA GLN A 3 -9.622 -13.745 -15.588 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -8.780 -12.180 -17.166 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -9.536 -10.817 -16.364 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -7.396 -10.479 -15.649 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -7.931 -11.538 -14.359 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -7.506 -13.917 -14.650 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -5.976 -14.363 -15.413 1.00 0.00 H new ATOM 59 N ARG A 4 -9.808 -13.445 -13.172 1.00 0.00 N ATOM 60 CA ARG A 4 -9.807 -13.291 -11.729 1.00 0.00 C ATOM 61 C ARG A 4 -8.489 -12.735 -11.230 1.00 0.00 C ATOM 62 O ARG A 4 -7.470 -13.427 -11.217 1.00 0.00 O ATOM 63 CB ARG A 4 -10.076 -14.617 -11.027 1.00 0.00 C ATOM 64 CG ARG A 4 -11.155 -14.509 -9.970 1.00 0.00 C ATOM 65 CD ARG A 4 -11.605 -15.877 -9.484 1.00 0.00 C ATOM 66 NE ARG A 4 -13.044 -16.108 -9.692 1.00 0.00 N ATOM 67 CZ ARG A 4 -13.615 -16.315 -10.872 1.00 0.00 C ATOM 68 NH1 ARG A 4 -12.906 -16.305 -11.982 1.00 0.00 N ATOM 69 NH2 ARG A 4 -14.911 -16.533 -10.939 1.00 0.00 N ATOM 0 H ARG A 4 -9.636 -14.396 -13.497 1.00 0.00 H new ATOM 0 HA ARG A 4 -10.606 -12.588 -11.493 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -10.370 -15.362 -11.766 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -9.155 -14.973 -10.565 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -10.781 -13.928 -9.127 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -12.010 -13.968 -10.376 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -11.038 -16.648 -10.006 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -11.375 -15.975 -8.423 1.00 0.00 H new ATOM 0 HE ARG A 4 -13.646 -16.109 -8.869 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -11.901 -16.136 -11.944 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -13.362 -16.466 -12.880 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -15.471 -16.542 -10.087 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -15.355 -16.693 -11.843 1.00 0.00 H new ATOM 83 N ILE A 5 -8.529 -11.500 -10.776 1.00 0.00 N ATOM 84 CA ILE A 5 -7.352 -10.870 -10.219 1.00 0.00 C ATOM 85 C ILE A 5 -7.674 -10.470 -8.807 1.00 0.00 C ATOM 86 O ILE A 5 -8.541 -9.627 -8.553 1.00 0.00 O ATOM 87 CB ILE A 5 -6.828 -9.681 -11.067 1.00 0.00 C ATOM 88 CG1 ILE A 5 -6.831 -8.335 -10.304 1.00 0.00 C ATOM 89 CG2 ILE A 5 -7.600 -9.608 -12.370 1.00 0.00 C ATOM 90 CD1 ILE A 5 -7.866 -7.317 -10.766 1.00 0.00 C ATOM 0 H ILE A 5 -9.363 -10.913 -10.782 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.528 -11.583 -10.229 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.778 -9.869 -11.290 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.995 -8.538 -9.246 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.842 -7.886 -10.392 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -7.231 -8.772 -12.965 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -7.465 -10.536 -12.925 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -8.659 -9.463 -12.158 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.780 -6.412 -10.164 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -7.694 -7.073 -11.814 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -8.866 -7.736 -10.650 1.00 0.00 H new ATOM 102 N THR A 6 -7.013 -11.124 -7.887 1.00 0.00 N ATOM 103 CA THR A 6 -7.254 -10.873 -6.494 1.00 0.00 C ATOM 104 C THR A 6 -5.973 -10.478 -5.788 1.00 0.00 C ATOM 105 O THR A 6 -4.945 -11.146 -5.906 1.00 0.00 O ATOM 106 CB THR A 6 -7.909 -12.089 -5.824 1.00 0.00 C ATOM 107 OG1 THR A 6 -7.584 -12.128 -4.453 1.00 0.00 O ATOM 108 CG2 THR A 6 -7.529 -13.426 -6.426 1.00 0.00 C ATOM 0 H THR A 6 -6.305 -11.833 -8.079 1.00 0.00 H new ATOM 0 HA THR A 6 -7.949 -10.037 -6.414 1.00 0.00 H new ATOM 0 HB THR A 6 -8.978 -11.950 -5.987 1.00 0.00 H new ATOM 0 HG1 THR A 6 -7.682 -11.232 -4.068 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.039 -14.225 -5.889 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.823 -13.449 -7.475 1.00 0.00 H new ATOM 0 HG23 THR A 6 -6.451 -13.567 -6.348 1.00 0.00 H new ATOM 116 N VAL A 7 -6.068 -9.418 -5.005 1.00 0.00 N ATOM 117 CA VAL A 7 -4.956 -8.941 -4.204 1.00 0.00 C ATOM 118 C VAL A 7 -5.193 -9.440 -2.789 1.00 0.00 C ATOM 119 O VAL A 7 -6.160 -9.039 -2.158 1.00 0.00 O ATOM 120 CB VAL A 7 -4.803 -7.374 -4.264 1.00 0.00 C ATOM 121 CG1 VAL A 7 -5.895 -6.733 -5.117 1.00 0.00 C ATOM 122 CG2 VAL A 7 -4.759 -6.710 -2.869 1.00 0.00 C ATOM 0 H VAL A 7 -6.919 -8.864 -4.907 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.014 -9.326 -4.594 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.836 -7.195 -4.735 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.756 -5.652 -5.134 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.838 -7.122 -6.133 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.872 -6.966 -4.693 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.653 -5.631 -2.983 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.682 -6.929 -2.333 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.911 -7.101 -2.307 1.00 0.00 H new ATOM 132 N THR A 8 -4.369 -10.354 -2.293 1.00 0.00 N ATOM 133 CA THR A 8 -4.589 -10.884 -0.956 1.00 0.00 C ATOM 134 C THR A 8 -4.360 -9.790 0.086 1.00 0.00 C ATOM 135 O THR A 8 -3.235 -9.548 0.522 1.00 0.00 O ATOM 136 CB THR A 8 -3.704 -12.105 -0.707 1.00 0.00 C ATOM 137 OG1 THR A 8 -2.391 -11.910 -1.200 1.00 0.00 O ATOM 138 CG2 THR A 8 -4.249 -13.362 -1.338 1.00 0.00 C ATOM 0 H THR A 8 -3.560 -10.736 -2.784 1.00 0.00 H new ATOM 0 HA THR A 8 -5.624 -11.215 -0.869 1.00 0.00 H new ATOM 0 HB THR A 8 -3.689 -12.225 0.376 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.032 -11.067 -0.851 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.578 -14.195 -1.127 1.00 0.00 H new ATOM 0 HG22 THR A 8 -5.235 -13.577 -0.927 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.328 -13.223 -2.416 1.00 0.00 H new ATOM 146 N VAL A 9 -5.449 -9.109 0.450 1.00 0.00 N ATOM 147 CA VAL A 9 -5.391 -8.003 1.411 1.00 0.00 C ATOM 148 C VAL A 9 -5.767 -8.442 2.830 1.00 0.00 C ATOM 149 O VAL A 9 -5.551 -9.598 3.186 1.00 0.00 O ATOM 150 CB VAL A 9 -6.279 -6.811 0.972 1.00 0.00 C ATOM 151 CG1 VAL A 9 -5.420 -5.577 0.741 1.00 0.00 C ATOM 152 CG2 VAL A 9 -7.073 -7.141 -0.277 1.00 0.00 C ATOM 0 H VAL A 9 -6.384 -9.304 0.093 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.352 -7.674 1.426 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.990 -6.608 1.773 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.053 -4.745 0.433 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.902 -5.316 1.664 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.688 -5.784 -0.040 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.685 -6.283 -0.557 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.388 -7.379 -1.091 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.718 -7.998 -0.082 1.00 0.00 H new ATOM 162 N ASP A 10 -6.244 -7.477 3.647 1.00 0.00 N ATOM 163 CA ASP A 10 -6.584 -7.676 5.073 1.00 0.00 C ATOM 164 C ASP A 10 -5.603 -6.865 5.935 1.00 0.00 C ATOM 165 O ASP A 10 -5.617 -6.913 7.165 1.00 0.00 O ATOM 166 CB ASP A 10 -6.515 -9.142 5.467 1.00 0.00 C ATOM 167 CG ASP A 10 -7.130 -9.431 6.825 1.00 0.00 C ATOM 168 OD1 ASP A 10 -8.213 -8.880 7.121 1.00 0.00 O ATOM 169 OD2 ASP A 10 -6.531 -10.217 7.590 1.00 0.00 O ATOM 0 H ASP A 10 -6.406 -6.522 3.328 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.607 -7.337 5.234 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.026 -9.738 4.711 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.473 -9.460 5.473 1.00 0.00 H new ATOM 174 N SER A 11 -4.770 -6.103 5.240 1.00 0.00 N ATOM 175 CA SER A 11 -3.772 -5.236 5.844 1.00 0.00 C ATOM 176 C SER A 11 -3.467 -4.040 4.932 1.00 0.00 C ATOM 177 O SER A 11 -3.235 -2.932 5.414 1.00 0.00 O ATOM 178 CB SER A 11 -2.488 -6.023 6.117 1.00 0.00 C ATOM 179 OG SER A 11 -1.550 -5.245 6.844 1.00 0.00 O ATOM 0 H SER A 11 -4.770 -6.071 4.221 1.00 0.00 H new ATOM 0 HA SER A 11 -4.170 -4.860 6.787 1.00 0.00 H new ATOM 0 HB2 SER A 11 -2.726 -6.927 6.678 1.00 0.00 H new ATOM 0 HB3 SER A 11 -2.046 -6.340 5.173 1.00 0.00 H new ATOM 0 HG SER A 11 -0.741 -5.774 7.005 1.00 0.00 H new ATOM 185 N ASP A 12 -3.417 -4.279 3.615 1.00 0.00 N ATOM 186 CA ASP A 12 -3.079 -3.235 2.653 1.00 0.00 C ATOM 187 C ASP A 12 -4.195 -2.180 2.419 1.00 0.00 C ATOM 188 O ASP A 12 -4.310 -1.642 1.330 1.00 0.00 O ATOM 189 CB ASP A 12 -2.666 -3.893 1.325 1.00 0.00 C ATOM 190 CG ASP A 12 -1.936 -5.212 1.504 1.00 0.00 C ATOM 191 OD1 ASP A 12 -2.552 -6.175 2.013 1.00 0.00 O ATOM 192 OD2 ASP A 12 -0.749 -5.279 1.126 1.00 0.00 O ATOM 0 H ASP A 12 -3.607 -5.189 3.196 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.251 -2.672 3.084 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.556 -4.059 0.719 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.027 -3.205 0.771 1.00 0.00 H new ATOM 197 N SER A 13 -5.002 -1.852 3.429 1.00 0.00 N ATOM 198 CA SER A 13 -6.054 -0.829 3.278 1.00 0.00 C ATOM 199 C SER A 13 -7.227 -1.271 2.393 1.00 0.00 C ATOM 200 O SER A 13 -8.159 -0.493 2.181 1.00 0.00 O ATOM 201 CB SER A 13 -5.459 0.464 2.707 1.00 0.00 C ATOM 202 OG SER A 13 -5.145 1.381 3.742 1.00 0.00 O ATOM 0 H SER A 13 -4.953 -2.273 4.357 1.00 0.00 H new ATOM 0 HA SER A 13 -6.452 -0.665 4.279 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.560 0.233 2.136 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.168 0.920 2.015 1.00 0.00 H new ATOM 0 HG SER A 13 -4.293 1.822 3.541 1.00 0.00 H new ATOM 208 N TYR A 14 -7.203 -2.507 1.891 1.00 0.00 N ATOM 209 CA TYR A 14 -8.297 -3.001 1.048 1.00 0.00 C ATOM 210 C TYR A 14 -9.643 -2.883 1.773 1.00 0.00 C ATOM 211 O TYR A 14 -10.605 -2.332 1.236 1.00 0.00 O ATOM 212 CB TYR A 14 -8.072 -4.454 0.660 1.00 0.00 C ATOM 213 CG TYR A 14 -9.358 -5.233 0.514 1.00 0.00 C ATOM 214 CD1 TYR A 14 -10.086 -5.210 -0.670 1.00 0.00 C ATOM 215 CD2 TYR A 14 -9.852 -5.968 1.575 1.00 0.00 C ATOM 216 CE1 TYR A 14 -11.269 -5.907 -0.785 1.00 0.00 C ATOM 217 CE2 TYR A 14 -11.033 -6.663 1.473 1.00 0.00 C ATOM 218 CZ TYR A 14 -11.741 -6.633 0.292 1.00 0.00 C ATOM 219 OH TYR A 14 -12.915 -7.341 0.193 1.00 0.00 O ATOM 0 H TYR A 14 -6.450 -3.177 2.049 1.00 0.00 H new ATOM 0 HA TYR A 14 -8.315 -2.386 0.148 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.522 -4.492 -0.280 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.447 -4.933 1.414 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.720 -4.639 -1.510 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -9.299 -5.997 2.502 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.824 -5.886 -1.711 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -11.404 -7.230 2.314 1.00 0.00 H new ATOM 0 HH TYR A 14 -13.564 -6.826 -0.330 1.00 0.00 H new ATOM 229 N GLN A 15 -9.713 -3.446 2.984 1.00 0.00 N ATOM 230 CA GLN A 15 -10.954 -3.449 3.761 1.00 0.00 C ATOM 231 C GLN A 15 -11.591 -2.062 3.856 1.00 0.00 C ATOM 232 O GLN A 15 -12.804 -1.945 3.744 1.00 0.00 O ATOM 233 CB GLN A 15 -10.722 -4.010 5.170 1.00 0.00 C ATOM 234 CG GLN A 15 -9.880 -5.279 5.211 1.00 0.00 C ATOM 235 CD GLN A 15 -8.516 -5.053 5.830 1.00 0.00 C ATOM 236 OE1 GLN A 15 -7.672 -4.370 5.255 1.00 0.00 O ATOM 237 NE2 GLN A 15 -8.289 -5.629 7.000 1.00 0.00 N ATOM 0 H GLN A 15 -8.927 -3.904 3.445 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.648 -4.097 3.225 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -10.236 -3.246 5.777 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -11.689 -4.215 5.630 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -10.410 -6.044 5.778 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -9.756 -5.662 4.198 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.018 -6.188 7.443 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -7.385 -5.514 7.458 1.00 0.00 H new ATOM 246 N LEU A 16 -10.787 -1.020 4.062 1.00 0.00 N ATOM 247 CA LEU A 16 -11.316 0.350 4.170 1.00 0.00 C ATOM 248 C LEU A 16 -12.246 0.715 2.994 1.00 0.00 C ATOM 249 O LEU A 16 -13.186 1.489 3.160 1.00 0.00 O ATOM 250 CB LEU A 16 -10.164 1.355 4.269 1.00 0.00 C ATOM 251 CG LEU A 16 -10.203 2.256 5.506 1.00 0.00 C ATOM 252 CD1 LEU A 16 -8.966 3.136 5.569 1.00 0.00 C ATOM 253 CD2 LEU A 16 -11.464 3.105 5.504 1.00 0.00 C ATOM 0 H LEU A 16 -9.774 -1.091 4.158 1.00 0.00 H new ATOM 0 HA LEU A 16 -11.916 0.395 5.079 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.221 0.808 4.265 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.171 1.984 3.379 1.00 0.00 H new ATOM 0 HG LEU A 16 -10.215 1.622 6.393 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.014 3.768 6.456 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.076 2.509 5.618 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.920 3.763 4.678 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -11.477 3.740 6.390 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -11.481 3.729 4.610 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -12.340 2.456 5.510 1.00 0.00 H new ATOM 265 N LEU A 17 -11.994 0.117 1.829 1.00 0.00 N ATOM 266 CA LEU A 17 -12.839 0.357 0.645 1.00 0.00 C ATOM 267 C LEU A 17 -14.143 -0.427 0.739 1.00 0.00 C ATOM 268 O LEU A 17 -15.238 0.142 0.741 1.00 0.00 O ATOM 269 CB LEU A 17 -12.126 -0.030 -0.638 1.00 0.00 C ATOM 270 CG LEU A 17 -11.869 1.116 -1.620 1.00 0.00 C ATOM 271 CD1 LEU A 17 -13.132 1.435 -2.398 1.00 0.00 C ATOM 272 CD2 LEU A 17 -11.368 2.353 -0.894 1.00 0.00 C ATOM 0 H LEU A 17 -11.222 -0.531 1.674 1.00 0.00 H new ATOM 0 HA LEU A 17 -13.054 1.425 0.623 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -11.170 -0.485 -0.379 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -12.716 -0.794 -1.145 1.00 0.00 H new ATOM 0 HG LEU A 17 -11.096 0.798 -2.319 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -12.935 2.252 -3.093 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -13.449 0.553 -2.955 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -13.921 1.730 -1.706 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -11.193 3.152 -1.615 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -12.114 2.676 -0.168 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.437 2.120 -0.378 1.00 0.00 H new ATOM 284 N LYS A 18 -14.000 -1.743 0.825 1.00 0.00 N ATOM 285 CA LYS A 18 -15.131 -2.653 0.924 1.00 0.00 C ATOM 286 C LYS A 18 -15.905 -2.413 2.207 1.00 0.00 C ATOM 287 O LYS A 18 -17.104 -2.680 2.290 1.00 0.00 O ATOM 288 CB LYS A 18 -14.624 -4.087 0.866 1.00 0.00 C ATOM 289 CG LYS A 18 -13.609 -4.375 1.950 1.00 0.00 C ATOM 290 CD LYS A 18 -13.873 -5.731 2.598 1.00 0.00 C ATOM 291 CE LYS A 18 -13.197 -5.864 3.950 1.00 0.00 C ATOM 292 NZ LYS A 18 -13.334 -7.245 4.497 1.00 0.00 N ATOM 0 H LYS A 18 -13.093 -2.210 0.828 1.00 0.00 H new ATOM 0 HA LYS A 18 -15.809 -2.474 0.089 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -15.465 -4.773 0.966 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -14.175 -4.273 -0.110 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -12.605 -4.359 1.527 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -13.648 -3.592 2.707 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -14.947 -5.872 2.716 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -13.518 -6.522 1.937 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -12.141 -5.612 3.856 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -13.634 -5.150 4.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -13.295 -7.212 5.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -14.244 -7.649 4.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -12.558 -7.838 4.140 1.00 0.00 H new ATOM 306 N ALA A 19 -15.199 -1.886 3.198 1.00 0.00 N ATOM 307 CA ALA A 19 -15.789 -1.570 4.487 1.00 0.00 C ATOM 308 C ALA A 19 -16.989 -0.648 4.302 1.00 0.00 C ATOM 309 O ALA A 19 -17.911 -0.633 5.117 1.00 0.00 O ATOM 310 CB ALA A 19 -14.760 -0.933 5.412 1.00 0.00 C ATOM 0 H ALA A 19 -14.205 -1.667 3.130 1.00 0.00 H new ATOM 0 HA ALA A 19 -16.128 -2.497 4.949 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -15.225 -0.705 6.371 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -13.931 -1.624 5.565 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -14.386 -0.013 4.962 1.00 0.00 H new ATOM 316 N TYR A 20 -16.968 0.101 3.199 1.00 0.00 N ATOM 317 CA TYR A 20 -18.046 1.003 2.862 1.00 0.00 C ATOM 318 C TYR A 20 -19.099 0.259 2.052 1.00 0.00 C ATOM 319 O TYR A 20 -20.280 0.317 2.391 1.00 0.00 O ATOM 320 CB TYR A 20 -17.526 2.198 2.057 1.00 0.00 C ATOM 321 CG TYR A 20 -16.432 2.986 2.738 1.00 0.00 C ATOM 322 CD1 TYR A 20 -16.488 3.279 4.095 1.00 0.00 C ATOM 323 CD2 TYR A 20 -15.347 3.447 2.013 1.00 0.00 C ATOM 324 CE1 TYR A 20 -15.486 4.013 4.704 1.00 0.00 C ATOM 325 CE2 TYR A 20 -14.348 4.176 2.612 1.00 0.00 C ATOM 326 CZ TYR A 20 -14.418 4.459 3.956 1.00 0.00 C ATOM 327 OH TYR A 20 -13.422 5.194 4.554 1.00 0.00 O ATOM 0 H TYR A 20 -16.203 0.093 2.524 1.00 0.00 H new ATOM 0 HA TYR A 20 -18.487 1.376 3.786 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -17.154 1.839 1.098 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -18.360 2.867 1.845 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -17.324 2.929 4.682 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -15.284 3.230 0.957 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -15.540 4.235 5.759 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -13.509 4.526 2.028 1.00 0.00 H new ATOM 0 HH TYR A 20 -13.259 6.008 4.034 1.00 0.00 H new ATOM 337 N ASP A 21 -18.646 -0.448 0.992 1.00 0.00 N ATOM 338 CA ASP A 21 -19.538 -1.236 0.107 1.00 0.00 C ATOM 339 C ASP A 21 -19.052 -1.151 -1.344 1.00 0.00 C ATOM 340 O ASP A 21 -19.810 -0.826 -2.261 1.00 0.00 O ATOM 341 CB ASP A 21 -21.001 -0.760 0.209 1.00 0.00 C ATOM 342 CG ASP A 21 -21.954 -1.525 -0.690 1.00 0.00 C ATOM 343 OD1 ASP A 21 -21.819 -2.763 -0.791 1.00 0.00 O ATOM 344 OD2 ASP A 21 -22.847 -0.883 -1.281 1.00 0.00 O ATOM 0 H ASP A 21 -17.662 -0.490 0.727 1.00 0.00 H new ATOM 0 HA ASP A 21 -19.503 -2.274 0.436 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -21.334 -0.856 1.242 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -21.048 0.299 -0.044 1.00 0.00 H new ATOM 349 N VAL A 22 -17.765 -1.415 -1.529 1.00 0.00 N ATOM 350 CA VAL A 22 -17.137 -1.347 -2.835 1.00 0.00 C ATOM 351 C VAL A 22 -15.681 -1.794 -2.758 1.00 0.00 C ATOM 352 O VAL A 22 -14.790 -1.031 -2.392 1.00 0.00 O ATOM 353 CB VAL A 22 -17.275 0.091 -3.389 1.00 0.00 C ATOM 354 CG1 VAL A 22 -16.180 1.028 -2.892 1.00 0.00 C ATOM 355 CG2 VAL A 22 -17.340 0.086 -4.909 1.00 0.00 C ATOM 0 H VAL A 22 -17.130 -1.682 -0.776 1.00 0.00 H new ATOM 0 HA VAL A 22 -17.638 -2.030 -3.521 1.00 0.00 H new ATOM 0 HB VAL A 22 -18.216 0.482 -3.002 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -16.331 2.021 -3.315 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -16.218 1.087 -1.804 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -15.207 0.646 -3.201 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -17.437 1.109 -5.272 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -16.429 -0.357 -5.311 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -18.201 -0.498 -5.234 1.00 0.00 H new ATOM 365 N ASN A 23 -15.451 -3.063 -3.080 1.00 0.00 N ATOM 366 CA ASN A 23 -14.108 -3.619 -3.040 1.00 0.00 C ATOM 367 C ASN A 23 -13.217 -2.849 -4.020 1.00 0.00 C ATOM 368 O ASN A 23 -12.708 -1.775 -3.696 1.00 0.00 O ATOM 369 CB ASN A 23 -14.142 -5.121 -3.366 1.00 0.00 C ATOM 370 CG ASN A 23 -14.896 -5.928 -2.327 1.00 0.00 C ATOM 371 OD1 ASN A 23 -14.377 -6.204 -1.251 1.00 0.00 O ATOM 372 ND2 ASN A 23 -16.122 -6.317 -2.643 1.00 0.00 N ATOM 0 H ASN A 23 -16.175 -3.721 -3.370 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.693 -3.514 -2.038 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -14.607 -5.267 -4.341 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.121 -5.496 -3.441 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -16.669 -6.866 -1.981 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -16.519 -6.067 -3.549 1.00 0.00 H new ATOM 379 N ILE A 24 -13.028 -3.392 -5.214 1.00 0.00 N ATOM 380 CA ILE A 24 -12.194 -2.720 -6.207 1.00 0.00 C ATOM 381 C ILE A 24 -12.654 -2.924 -7.643 1.00 0.00 C ATOM 382 O ILE A 24 -11.937 -2.535 -8.565 1.00 0.00 O ATOM 383 CB ILE A 24 -10.717 -3.139 -6.131 1.00 0.00 C ATOM 384 CG1 ILE A 24 -10.508 -4.254 -5.126 1.00 0.00 C ATOM 385 CG2 ILE A 24 -9.845 -1.952 -5.790 1.00 0.00 C ATOM 386 CD1 ILE A 24 -11.300 -5.472 -5.481 1.00 0.00 C ATOM 0 H ILE A 24 -13.431 -4.279 -5.518 1.00 0.00 H new ATOM 0 HA ILE A 24 -12.300 -1.667 -5.947 1.00 0.00 H new ATOM 0 HB ILE A 24 -10.429 -3.516 -7.113 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -9.449 -4.509 -5.080 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -10.797 -3.908 -4.133 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -8.803 -2.268 -5.741 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.956 -1.186 -6.558 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -10.147 -1.544 -4.825 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -11.124 -6.250 -4.738 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -12.361 -5.223 -5.502 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -10.993 -5.832 -6.463 1.00 0.00 H new ATOM 398 N SER A 25 -13.802 -3.570 -7.851 1.00 0.00 N ATOM 399 CA SER A 25 -14.260 -3.842 -9.220 1.00 0.00 C ATOM 400 C SER A 25 -13.962 -2.645 -10.133 1.00 0.00 C ATOM 401 O SER A 25 -13.162 -2.750 -11.072 1.00 0.00 O ATOM 402 CB SER A 25 -15.754 -4.173 -9.255 1.00 0.00 C ATOM 403 OG SER A 25 -16.519 -3.168 -8.611 1.00 0.00 O ATOM 0 H SER A 25 -14.420 -3.908 -7.113 1.00 0.00 H new ATOM 0 HA SER A 25 -13.714 -4.712 -9.585 1.00 0.00 H new ATOM 0 HB2 SER A 25 -16.082 -4.276 -10.289 1.00 0.00 H new ATOM 0 HB3 SER A 25 -15.928 -5.133 -8.769 1.00 0.00 H new ATOM 0 HG SER A 25 -17.469 -3.405 -8.650 1.00 0.00 H new ATOM 409 N GLY A 26 -14.575 -1.501 -9.835 1.00 0.00 N ATOM 410 CA GLY A 26 -14.329 -0.299 -10.618 1.00 0.00 C ATOM 411 C GLY A 26 -13.071 0.431 -10.167 1.00 0.00 C ATOM 412 O GLY A 26 -12.399 1.078 -10.973 1.00 0.00 O ATOM 0 H GLY A 26 -15.236 -1.384 -9.067 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.235 -0.566 -11.671 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -15.186 0.370 -10.534 1.00 0.00 H new ATOM 416 N LEU A 27 -12.743 0.316 -8.875 1.00 0.00 N ATOM 417 CA LEU A 27 -11.559 0.954 -8.315 1.00 0.00 C ATOM 418 C LEU A 27 -10.290 0.451 -8.988 1.00 0.00 C ATOM 419 O LEU A 27 -9.508 1.245 -9.515 1.00 0.00 O ATOM 420 CB LEU A 27 -11.469 0.686 -6.815 1.00 0.00 C ATOM 421 CG LEU A 27 -10.428 1.521 -6.077 1.00 0.00 C ATOM 422 CD1 LEU A 27 -10.861 2.972 -6.026 1.00 0.00 C ATOM 423 CD2 LEU A 27 -10.207 0.977 -4.677 1.00 0.00 C ATOM 0 H LEU A 27 -13.289 -0.218 -8.199 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.650 2.026 -8.492 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.446 0.871 -6.368 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.243 -0.369 -6.662 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.484 1.462 -6.618 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.109 3.558 -5.497 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.971 3.355 -7.041 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.815 3.049 -5.504 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.461 1.584 -4.164 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.145 1.009 -4.122 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.856 -0.053 -4.738 1.00 0.00 H new ATOM 435 N VAL A 28 -10.085 -0.868 -8.963 1.00 0.00 N ATOM 436 CA VAL A 28 -8.908 -1.467 -9.575 1.00 0.00 C ATOM 437 C VAL A 28 -8.780 -1.036 -11.031 1.00 0.00 C ATOM 438 O VAL A 28 -7.830 -0.362 -11.396 1.00 0.00 O ATOM 439 CB VAL A 28 -8.956 -3.007 -9.485 1.00 0.00 C ATOM 440 CG1 VAL A 28 -8.115 -3.655 -10.573 1.00 0.00 C ATOM 441 CG2 VAL A 28 -8.487 -3.459 -8.120 1.00 0.00 C ATOM 0 H VAL A 28 -10.720 -1.536 -8.526 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.035 -1.116 -9.024 1.00 0.00 H new ATOM 0 HB VAL A 28 -9.989 -3.322 -9.633 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.172 -4.739 -10.479 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.491 -3.355 -11.551 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.078 -3.336 -10.470 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -8.524 -4.547 -8.064 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.463 -3.122 -7.957 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -9.135 -3.034 -7.354 1.00 0.00 H new ATOM 451 N SER A 29 -9.745 -1.435 -11.847 1.00 0.00 N ATOM 452 CA SER A 29 -9.760 -1.117 -13.274 1.00 0.00 C ATOM 453 C SER A 29 -9.531 0.368 -13.570 1.00 0.00 C ATOM 454 O SER A 29 -8.779 0.700 -14.489 1.00 0.00 O ATOM 455 CB SER A 29 -11.095 -1.545 -13.865 1.00 0.00 C ATOM 456 OG SER A 29 -12.178 -1.120 -13.046 1.00 0.00 O ATOM 0 H SER A 29 -10.544 -1.990 -11.540 1.00 0.00 H new ATOM 0 HA SER A 29 -8.932 -1.660 -13.729 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.205 -1.125 -14.865 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.119 -2.630 -13.970 1.00 0.00 H new ATOM 0 HG SER A 29 -12.386 -1.818 -12.390 1.00 0.00 H new ATOM 462 N THR A 30 -10.151 1.264 -12.799 1.00 0.00 N ATOM 463 CA THR A 30 -9.965 2.695 -13.021 1.00 0.00 C ATOM 464 C THR A 30 -8.583 3.101 -12.554 1.00 0.00 C ATOM 465 O THR A 30 -7.855 3.807 -13.254 1.00 0.00 O ATOM 466 CB THR A 30 -11.044 3.520 -12.309 1.00 0.00 C ATOM 467 OG1 THR A 30 -11.368 4.671 -13.070 1.00 0.00 O ATOM 468 CG2 THR A 30 -10.654 3.999 -10.926 1.00 0.00 C ATOM 0 H THR A 30 -10.776 1.027 -12.028 1.00 0.00 H new ATOM 0 HA THR A 30 -10.059 2.896 -14.088 1.00 0.00 H new ATOM 0 HB THR A 30 -11.889 2.839 -12.207 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.059 5.187 -12.605 1.00 0.00 H new ATOM 0 HG21 THR A 30 -11.474 4.574 -10.495 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.440 3.140 -10.290 1.00 0.00 H new ATOM 0 HG23 THR A 30 -9.767 4.629 -10.996 1.00 0.00 H new ATOM 476 N THR A 31 -8.222 2.633 -11.366 1.00 0.00 N ATOM 477 CA THR A 31 -6.916 2.930 -10.809 1.00 0.00 C ATOM 478 C THR A 31 -5.828 2.336 -11.690 1.00 0.00 C ATOM 479 O THR A 31 -4.770 2.933 -11.875 1.00 0.00 O ATOM 480 CB THR A 31 -6.776 2.397 -9.385 1.00 0.00 C ATOM 481 OG1 THR A 31 -7.869 2.798 -8.585 1.00 0.00 O ATOM 482 CG2 THR A 31 -5.513 2.867 -8.705 1.00 0.00 C ATOM 0 H THR A 31 -8.814 2.050 -10.775 1.00 0.00 H new ATOM 0 HA THR A 31 -6.809 4.014 -10.774 1.00 0.00 H new ATOM 0 HB THR A 31 -6.743 1.312 -9.482 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.546 2.090 -8.578 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.468 2.456 -7.696 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.646 2.529 -9.273 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.511 3.956 -8.654 1.00 0.00 H new ATOM 490 N MET A 32 -6.113 1.163 -12.250 1.00 0.00 N ATOM 491 CA MET A 32 -5.184 0.480 -13.132 1.00 0.00 C ATOM 492 C MET A 32 -4.769 1.399 -14.270 1.00 0.00 C ATOM 493 O MET A 32 -3.598 1.527 -14.551 1.00 0.00 O ATOM 494 CB MET A 32 -5.810 -0.805 -13.680 1.00 0.00 C ATOM 495 CG MET A 32 -6.016 -1.885 -12.629 1.00 0.00 C ATOM 496 SD MET A 32 -5.174 -3.418 -13.042 1.00 0.00 S ATOM 497 CE MET A 32 -5.136 -4.222 -11.454 1.00 0.00 C ATOM 0 H MET A 32 -6.991 0.665 -12.103 1.00 0.00 H new ATOM 0 HA MET A 32 -4.296 0.210 -12.561 1.00 0.00 H new ATOM 0 HB2 MET A 32 -6.772 -0.565 -14.134 1.00 0.00 H new ATOM 0 HB3 MET A 32 -5.173 -1.199 -14.472 1.00 0.00 H new ATOM 0 HG2 MET A 32 -5.655 -1.524 -11.666 1.00 0.00 H new ATOM 0 HG3 MET A 32 -7.083 -2.079 -12.517 1.00 0.00 H new ATOM 0 HE1 MET A 32 -4.411 -5.036 -11.476 1.00 0.00 H new ATOM 0 HE2 MET A 32 -4.849 -3.501 -10.688 1.00 0.00 H new ATOM 0 HE3 MET A 32 -6.124 -4.622 -11.225 1.00 0.00 H new ATOM 507 N GLN A 33 -5.734 2.051 -14.915 1.00 0.00 N ATOM 508 CA GLN A 33 -5.429 2.973 -16.015 1.00 0.00 C ATOM 509 C GLN A 33 -4.517 4.110 -15.547 1.00 0.00 C ATOM 510 O GLN A 33 -3.616 4.531 -16.278 1.00 0.00 O ATOM 511 CB GLN A 33 -6.729 3.522 -16.621 1.00 0.00 C ATOM 512 CG GLN A 33 -7.056 4.958 -16.220 1.00 0.00 C ATOM 513 CD GLN A 33 -8.469 5.365 -16.590 1.00 0.00 C ATOM 514 OE1 GLN A 33 -9.005 4.933 -17.607 1.00 0.00 O ATOM 515 NE2 GLN A 33 -9.081 6.203 -15.769 1.00 0.00 N ATOM 0 H GLN A 33 -6.727 1.962 -14.700 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.893 2.421 -16.787 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -6.660 3.468 -17.707 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.555 2.877 -16.322 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -6.921 5.070 -15.144 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -6.350 5.634 -16.702 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -8.602 6.540 -14.934 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.032 6.512 -15.971 1.00 0.00 H new ATOM 524 N ASN A 34 -4.727 4.576 -14.318 1.00 0.00 N ATOM 525 CA ASN A 34 -3.893 5.633 -13.758 1.00 0.00 C ATOM 526 C ASN A 34 -2.528 5.047 -13.382 1.00 0.00 C ATOM 527 O ASN A 34 -1.482 5.618 -13.711 1.00 0.00 O ATOM 528 CB ASN A 34 -4.612 6.305 -12.564 1.00 0.00 C ATOM 529 CG ASN A 34 -3.929 6.100 -11.220 1.00 0.00 C ATOM 530 OD1 ASN A 34 -2.745 6.376 -11.061 1.00 0.00 O ATOM 531 ND2 ASN A 34 -4.684 5.633 -10.239 1.00 0.00 N ATOM 0 H ASN A 34 -5.462 4.240 -13.696 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.723 6.417 -14.496 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -4.690 7.375 -12.758 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -5.629 5.917 -12.503 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -4.285 5.491 -9.311 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -5.666 5.415 -10.410 1.00 0.00 H new ATOM 538 N GLU A 35 -2.556 3.879 -12.740 1.00 0.00 N ATOM 539 CA GLU A 35 -1.336 3.174 -12.363 1.00 0.00 C ATOM 540 C GLU A 35 -0.634 2.631 -13.615 1.00 0.00 C ATOM 541 O GLU A 35 0.571 2.454 -13.632 1.00 0.00 O ATOM 542 CB GLU A 35 -1.663 2.036 -11.398 1.00 0.00 C ATOM 543 CG GLU A 35 -0.438 1.426 -10.741 1.00 0.00 C ATOM 544 CD GLU A 35 -0.271 1.860 -9.302 1.00 0.00 C ATOM 545 OE1 GLU A 35 -0.939 1.274 -8.425 1.00 0.00 O ATOM 546 OE2 GLU A 35 0.537 2.775 -9.047 1.00 0.00 O ATOM 0 H GLU A 35 -3.416 3.401 -12.470 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.664 3.871 -11.862 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.333 2.409 -10.623 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.202 1.257 -11.937 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.512 0.339 -10.782 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.450 1.707 -11.306 1.00 0.00 H new ATOM 553 N ALA A 36 -1.404 2.377 -14.663 1.00 0.00 N ATOM 554 CA ALA A 36 -0.866 1.878 -15.921 1.00 0.00 C ATOM 555 C ALA A 36 -0.086 2.981 -16.618 1.00 0.00 C ATOM 556 O ALA A 36 1.026 2.764 -17.104 1.00 0.00 O ATOM 557 CB ALA A 36 -1.986 1.374 -16.807 1.00 0.00 C ATOM 0 H ALA A 36 -2.415 2.510 -14.666 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.192 1.046 -15.718 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.570 1.004 -17.744 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.515 0.567 -16.301 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.680 2.188 -17.015 1.00 0.00 H new ATOM 563 N ARG A 37 -0.668 4.178 -16.640 1.00 0.00 N ATOM 564 CA ARG A 37 -0.001 5.322 -17.247 1.00 0.00 C ATOM 565 C ARG A 37 1.209 5.727 -16.429 1.00 0.00 C ATOM 566 O ARG A 37 2.317 5.861 -16.944 1.00 0.00 O ATOM 567 CB ARG A 37 -0.916 6.528 -17.299 1.00 0.00 C ATOM 568 CG ARG A 37 -1.380 6.888 -18.699 1.00 0.00 C ATOM 569 CD ARG A 37 -2.664 7.698 -18.665 1.00 0.00 C ATOM 570 NE ARG A 37 -2.636 8.811 -19.627 1.00 0.00 N ATOM 571 CZ ARG A 37 -3.700 9.279 -20.275 1.00 0.00 C ATOM 572 NH1 ARG A 37 -4.896 8.760 -20.068 1.00 0.00 N ATOM 573 NH2 ARG A 37 -3.565 10.277 -21.127 1.00 0.00 N ATOM 0 H ARG A 37 -1.589 4.378 -16.249 1.00 0.00 H new ATOM 0 HA ARG A 37 0.287 5.018 -18.254 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.789 6.336 -16.675 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.398 7.384 -16.867 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.602 7.458 -19.207 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -1.537 5.978 -19.277 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.510 7.047 -18.887 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.819 8.091 -17.660 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.737 9.256 -19.810 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -5.011 7.993 -19.406 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -5.705 9.126 -20.570 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -2.646 10.689 -21.288 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -4.380 10.637 -21.624 1.00 0.00 H new ATOM 587 N ARG A 38 0.953 5.987 -15.152 1.00 0.00 N ATOM 588 CA ARG A 38 1.987 6.457 -14.251 1.00 0.00 C ATOM 589 C ARG A 38 2.876 5.335 -13.674 1.00 0.00 C ATOM 590 O ARG A 38 4.088 5.511 -13.559 1.00 0.00 O ATOM 591 CB ARG A 38 1.353 7.249 -13.103 1.00 0.00 C ATOM 592 CG ARG A 38 2.107 8.523 -12.749 1.00 0.00 C ATOM 593 CD ARG A 38 1.989 8.847 -11.269 1.00 0.00 C ATOM 594 NE ARG A 38 2.800 10.012 -10.897 1.00 0.00 N ATOM 595 CZ ARG A 38 3.229 10.260 -9.665 1.00 0.00 C ATOM 596 NH1 ARG A 38 2.900 9.464 -8.664 1.00 0.00 N ATOM 597 NH2 ARG A 38 3.981 11.316 -9.433 1.00 0.00 N ATOM 0 H ARG A 38 0.035 5.879 -14.721 1.00 0.00 H new ATOM 0 HA ARG A 38 2.642 7.092 -14.847 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.329 7.507 -13.373 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.299 6.612 -12.220 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.158 8.411 -13.015 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.716 9.354 -13.337 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.945 9.038 -11.021 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.303 7.984 -10.682 1.00 0.00 H new ATOM 0 HE ARG A 38 3.050 10.674 -11.632 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.311 8.649 -8.833 1.00 0.00 H new ATOM 0 HH12 ARG A 38 3.235 9.664 -7.722 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.233 11.941 -10.199 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.312 11.509 -8.488 1.00 0.00 H new ATOM 1184 N LYS B 102 -5.194 -12.707 5.818 1.00 0.00 N ATOM 1185 CA LYS B 102 -5.167 -12.451 4.376 1.00 0.00 C ATOM 1186 C LYS B 102 -6.541 -12.613 3.743 1.00 0.00 C ATOM 1187 O LYS B 102 -7.170 -13.666 3.853 1.00 0.00 O ATOM 1188 CB LYS B 102 -4.180 -13.376 3.659 1.00 0.00 C ATOM 1189 CG LYS B 102 -2.738 -12.898 3.705 1.00 0.00 C ATOM 1190 CD LYS B 102 -2.598 -11.445 3.255 1.00 0.00 C ATOM 1191 CE LYS B 102 -1.503 -10.724 4.030 1.00 0.00 C ATOM 1192 NZ LYS B 102 -0.203 -10.736 3.298 1.00 0.00 N ATOM 0 HA LYS B 102 -4.844 -11.417 4.259 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -4.237 -14.368 4.107 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -4.485 -13.478 2.618 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -2.355 -13.001 4.720 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -2.125 -13.535 3.067 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -2.372 -11.413 2.189 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -3.546 -10.926 3.395 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -1.807 -9.693 4.214 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -1.376 -11.197 5.004 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 0.516 -10.235 3.859 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 0.100 -11.719 3.145 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -0.317 -10.262 2.379 1.00 0.00 H new ATOM 1206 N GLN B 103 -6.991 -11.561 3.075 1.00 0.00 N ATOM 1207 CA GLN B 103 -8.282 -11.574 2.407 1.00 0.00 C ATOM 1208 C GLN B 103 -8.115 -11.493 0.902 1.00 0.00 C ATOM 1209 O GLN B 103 -7.713 -10.464 0.351 1.00 0.00 O ATOM 1210 CB GLN B 103 -9.183 -10.432 2.931 1.00 0.00 C ATOM 1211 CG GLN B 103 -10.396 -10.138 2.049 1.00 0.00 C ATOM 1212 CD GLN B 103 -11.672 -9.876 2.835 1.00 0.00 C ATOM 1213 OE1 GLN B 103 -11.786 -8.884 3.564 1.00 0.00 O ATOM 1214 NE2 GLN B 103 -12.655 -10.750 2.676 1.00 0.00 N ATOM 0 H GLN B 103 -6.478 -10.684 2.982 1.00 0.00 H new ATOM 0 HA GLN B 103 -8.773 -12.520 2.636 1.00 0.00 H new ATOM 0 HB2 GLN B 103 -9.529 -10.687 3.933 1.00 0.00 H new ATOM 0 HB3 GLN B 103 -8.585 -9.525 3.022 1.00 0.00 H new ATOM 0 HG2 GLN B 103 -10.179 -9.271 1.425 1.00 0.00 H new ATOM 0 HG3 GLN B 103 -10.559 -10.981 1.378 1.00 0.00 H new ATOM 0 HE21 GLN B 103 -12.526 -11.557 2.066 1.00 0.00 H new ATOM 0 HE22 GLN B 103 -13.541 -10.615 3.163 1.00 0.00 H new ATOM 1223 N ARG B 104 -8.433 -12.599 0.240 1.00 0.00 N ATOM 1224 CA ARG B 104 -8.331 -12.676 -1.195 1.00 0.00 C ATOM 1225 C ARG B 104 -9.533 -11.999 -1.845 1.00 0.00 C ATOM 1226 O ARG B 104 -10.605 -12.595 -1.977 1.00 0.00 O ATOM 1227 CB ARG B 104 -8.267 -14.139 -1.631 1.00 0.00 C ATOM 1228 CG ARG B 104 -7.522 -14.351 -2.928 1.00 0.00 C ATOM 1229 CD ARG B 104 -7.482 -15.819 -3.298 1.00 0.00 C ATOM 1230 NE ARG B 104 -6.398 -16.546 -2.634 1.00 0.00 N ATOM 1231 CZ ARG B 104 -5.110 -16.242 -2.730 1.00 0.00 C ATOM 1232 NH1 ARG B 104 -4.710 -15.241 -3.483 1.00 0.00 N ATOM 1233 NH2 ARG B 104 -4.217 -16.964 -2.083 1.00 0.00 N ATOM 0 H ARG B 104 -8.765 -13.454 0.686 1.00 0.00 H new ATOM 0 HA ARG B 104 -7.422 -12.164 -1.511 1.00 0.00 H new ATOM 0 HB2 ARG B 104 -7.786 -14.723 -0.846 1.00 0.00 H new ATOM 0 HB3 ARG B 104 -9.282 -14.523 -1.738 1.00 0.00 H new ATOM 0 HG2 ARG B 104 -8.004 -13.785 -3.725 1.00 0.00 H new ATOM 0 HG3 ARG B 104 -6.506 -13.968 -2.834 1.00 0.00 H new ATOM 0 HD2 ARG B 104 -8.435 -16.280 -3.037 1.00 0.00 H new ATOM 0 HD3 ARG B 104 -7.367 -15.913 -4.378 1.00 0.00 H new ATOM 0 HE ARG B 104 -6.652 -17.346 -2.054 1.00 0.00 H new ATOM 0 HH11 ARG B 104 -5.393 -14.688 -4.002 1.00 0.00 H new ATOM 0 HH12 ARG B 104 -3.717 -15.017 -3.549 1.00 0.00 H new ATOM 0 HH21 ARG B 104 -4.517 -17.753 -1.511 1.00 0.00 H new ATOM 0 HH22 ARG B 104 -3.226 -16.733 -2.154 1.00 0.00 H new ATOM 1247 N ILE B 105 -9.341 -10.763 -2.277 1.00 0.00 N ATOM 1248 CA ILE B 105 -10.404 -10.032 -2.939 1.00 0.00 C ATOM 1249 C ILE B 105 -10.105 -9.998 -4.423 1.00 0.00 C ATOM 1250 O ILE B 105 -9.102 -9.439 -4.869 1.00 0.00 O ATOM 1251 CB ILE B 105 -10.624 -8.617 -2.348 1.00 0.00 C ATOM 1252 CG1 ILE B 105 -9.930 -7.520 -3.167 1.00 0.00 C ATOM 1253 CG2 ILE B 105 -10.173 -8.584 -0.893 1.00 0.00 C ATOM 1254 CD1 ILE B 105 -8.420 -7.530 -3.058 1.00 0.00 C ATOM 0 H ILE B 105 -8.465 -10.250 -2.181 1.00 0.00 H new ATOM 0 HA ILE B 105 -11.348 -10.549 -2.769 1.00 0.00 H new ATOM 0 HB ILE B 105 -11.692 -8.405 -2.396 1.00 0.00 H new ATOM 0 HG12 ILE B 105 -10.209 -7.632 -4.215 1.00 0.00 H new ATOM 0 HG13 ILE B 105 -10.301 -6.548 -2.841 1.00 0.00 H new ATOM 0 HG21 ILE B 105 -10.331 -7.585 -0.486 1.00 0.00 H new ATOM 0 HG22 ILE B 105 -10.750 -9.307 -0.317 1.00 0.00 H new ATOM 0 HG23 ILE B 105 -9.114 -8.836 -0.834 1.00 0.00 H new ATOM 0 HD11 ILE B 105 -8.006 -6.725 -3.665 1.00 0.00 H new ATOM 0 HD12 ILE B 105 -8.129 -7.386 -2.017 1.00 0.00 H new ATOM 0 HD13 ILE B 105 -8.036 -8.486 -3.413 1.00 0.00 H new ATOM 1266 N THR B 106 -10.933 -10.686 -5.173 1.00 0.00 N ATOM 1267 CA THR B 106 -10.726 -10.818 -6.599 1.00 0.00 C ATOM 1268 C THR B 106 -11.719 -9.999 -7.408 1.00 0.00 C ATOM 1269 O THR B 106 -12.934 -10.187 -7.317 1.00 0.00 O ATOM 1270 CB THR B 106 -10.763 -12.314 -6.990 1.00 0.00 C ATOM 1271 OG1 THR B 106 -11.663 -12.556 -8.056 1.00 0.00 O ATOM 1272 CG2 THR B 106 -11.157 -13.245 -5.853 1.00 0.00 C ATOM 0 H THR B 106 -11.761 -11.166 -4.819 1.00 0.00 H new ATOM 0 HA THR B 106 -9.743 -10.414 -6.839 1.00 0.00 H new ATOM 0 HB THR B 106 -9.736 -12.532 -7.282 1.00 0.00 H new ATOM 0 HG1 THR B 106 -12.214 -13.339 -7.848 1.00 0.00 H new ATOM 0 HG21 THR B 106 -11.159 -14.275 -6.210 1.00 0.00 H new ATOM 0 HG22 THR B 106 -10.442 -13.145 -5.037 1.00 0.00 H new ATOM 0 HG23 THR B 106 -12.153 -12.983 -5.497 1.00 0.00 H new ATOM 1280 N VAL B 107 -11.173 -9.152 -8.274 1.00 0.00 N ATOM 1281 CA VAL B 107 -11.972 -8.361 -9.193 1.00 0.00 C ATOM 1282 C VAL B 107 -11.912 -9.103 -10.518 1.00 0.00 C ATOM 1283 O VAL B 107 -10.955 -8.940 -11.280 1.00 0.00 O ATOM 1284 CB VAL B 107 -11.450 -6.879 -9.350 1.00 0.00 C ATOM 1285 CG1 VAL B 107 -10.033 -6.732 -8.821 1.00 0.00 C ATOM 1286 CG2 VAL B 107 -11.517 -6.390 -10.804 1.00 0.00 C ATOM 0 H VAL B 107 -10.168 -8.997 -8.356 1.00 0.00 H new ATOM 0 HA VAL B 107 -12.990 -8.257 -8.819 1.00 0.00 H new ATOM 0 HB VAL B 107 -12.116 -6.255 -8.754 1.00 0.00 H new ATOM 0 HG11 VAL B 107 -9.704 -5.700 -8.944 1.00 0.00 H new ATOM 0 HG12 VAL B 107 -10.010 -6.997 -7.764 1.00 0.00 H new ATOM 0 HG13 VAL B 107 -9.367 -7.394 -9.375 1.00 0.00 H new ATOM 0 HG21 VAL B 107 -11.148 -5.366 -10.861 1.00 0.00 H new ATOM 0 HG22 VAL B 107 -10.902 -7.033 -11.433 1.00 0.00 H new ATOM 0 HG23 VAL B 107 -12.550 -6.423 -11.152 1.00 0.00 H new ATOM 1296 N THR B 108 -12.895 -9.974 -10.771 1.00 0.00 N ATOM 1297 CA THR B 108 -12.903 -10.768 -11.994 1.00 0.00 C ATOM 1298 C THR B 108 -13.093 -9.851 -13.195 1.00 0.00 C ATOM 1299 O THR B 108 -14.123 -9.853 -13.866 1.00 0.00 O ATOM 1300 CB THR B 108 -13.980 -11.847 -11.937 1.00 0.00 C ATOM 1301 OG1 THR B 108 -15.192 -11.348 -11.406 1.00 0.00 O ATOM 1302 CG2 THR B 108 -13.582 -13.041 -11.127 1.00 0.00 C ATOM 0 H THR B 108 -13.686 -10.143 -10.149 1.00 0.00 H new ATOM 0 HA THR B 108 -11.945 -11.278 -12.096 1.00 0.00 H new ATOM 0 HB THR B 108 -14.115 -12.156 -12.973 1.00 0.00 H new ATOM 0 HG1 THR B 108 -15.860 -12.065 -11.386 1.00 0.00 H new ATOM 0 HG21 THR B 108 -14.394 -13.769 -11.129 1.00 0.00 H new ATOM 0 HG22 THR B 108 -12.689 -13.493 -11.559 1.00 0.00 H new ATOM 0 HG23 THR B 108 -13.373 -12.733 -10.103 1.00 0.00 H new ATOM 1310 N VAL B 109 -12.066 -9.049 -13.415 1.00 0.00 N ATOM 1311 CA VAL B 109 -12.024 -8.064 -14.474 1.00 0.00 C ATOM 1312 C VAL B 109 -11.922 -8.722 -15.867 1.00 0.00 C ATOM 1313 O VAL B 109 -12.784 -9.527 -16.208 1.00 0.00 O ATOM 1314 CB VAL B 109 -10.877 -7.070 -14.170 1.00 0.00 C ATOM 1315 CG1 VAL B 109 -9.553 -7.799 -14.066 1.00 0.00 C ATOM 1316 CG2 VAL B 109 -10.817 -5.919 -15.167 1.00 0.00 C ATOM 0 H VAL B 109 -11.219 -9.068 -12.847 1.00 0.00 H new ATOM 0 HA VAL B 109 -12.959 -7.505 -14.505 1.00 0.00 H new ATOM 0 HB VAL B 109 -11.090 -6.615 -13.203 1.00 0.00 H new ATOM 0 HG11 VAL B 109 -8.759 -7.083 -13.852 1.00 0.00 H new ATOM 0 HG12 VAL B 109 -9.605 -8.534 -13.263 1.00 0.00 H new ATOM 0 HG13 VAL B 109 -9.341 -8.305 -15.008 1.00 0.00 H new ATOM 0 HG21 VAL B 109 -9.994 -5.253 -14.905 1.00 0.00 H new ATOM 0 HG22 VAL B 109 -10.659 -6.315 -16.170 1.00 0.00 H new ATOM 0 HG23 VAL B 109 -11.755 -5.365 -15.140 1.00 0.00 H new ATOM 1326 N ASP B 110 -10.940 -8.336 -16.703 1.00 0.00 N ATOM 1327 CA ASP B 110 -10.836 -8.852 -18.078 1.00 0.00 C ATOM 1328 C ASP B 110 -11.764 -8.034 -18.994 1.00 0.00 C ATOM 1329 O ASP B 110 -11.785 -8.199 -20.213 1.00 0.00 O ATOM 1330 CB ASP B 110 -11.195 -10.331 -18.141 1.00 0.00 C ATOM 1331 CG ASP B 110 -10.546 -11.036 -19.311 1.00 0.00 C ATOM 1332 OD1 ASP B 110 -9.319 -11.259 -19.258 1.00 0.00 O ATOM 1333 OD2 ASP B 110 -11.264 -11.369 -20.276 1.00 0.00 O ATOM 0 H ASP B 110 -10.210 -7.670 -16.450 1.00 0.00 H new ATOM 0 HA ASP B 110 -9.804 -8.751 -18.415 1.00 0.00 H new ATOM 0 HB2 ASP B 110 -10.889 -10.816 -17.214 1.00 0.00 H new ATOM 0 HB3 ASP B 110 -12.278 -10.436 -18.213 1.00 0.00 H new ATOM 1338 N SER B 111 -12.491 -7.116 -18.361 1.00 0.00 N ATOM 1339 CA SER B 111 -13.399 -6.205 -19.033 1.00 0.00 C ATOM 1340 C SER B 111 -13.051 -4.782 -18.611 1.00 0.00 C ATOM 1341 O SER B 111 -12.641 -3.972 -19.437 1.00 0.00 O ATOM 1342 CB SER B 111 -14.859 -6.533 -18.690 1.00 0.00 C ATOM 1343 OG SER B 111 -15.176 -7.884 -19.019 1.00 0.00 O ATOM 0 H SER B 111 -12.461 -6.987 -17.350 1.00 0.00 H new ATOM 0 HA SER B 111 -13.290 -6.308 -20.113 1.00 0.00 H new ATOM 0 HB2 SER B 111 -15.032 -6.365 -17.627 1.00 0.00 H new ATOM 0 HB3 SER B 111 -15.523 -5.859 -19.232 1.00 0.00 H new ATOM 0 HG SER B 111 -15.788 -7.899 -19.784 1.00 0.00 H new ATOM 1349 N ASP B 112 -13.234 -4.494 -17.313 1.00 0.00 N ATOM 1350 CA ASP B 112 -12.957 -3.172 -16.745 1.00 0.00 C ATOM 1351 C ASP B 112 -11.677 -2.540 -17.332 1.00 0.00 C ATOM 1352 O ASP B 112 -11.763 -1.752 -18.272 1.00 0.00 O ATOM 1353 CB ASP B 112 -12.868 -3.263 -15.216 1.00 0.00 C ATOM 1354 CG ASP B 112 -13.910 -4.175 -14.605 1.00 0.00 C ATOM 1355 OD1 ASP B 112 -13.848 -5.396 -14.860 1.00 0.00 O ATOM 1356 OD2 ASP B 112 -14.775 -3.670 -13.864 1.00 0.00 O ATOM 0 H ASP B 112 -13.577 -5.171 -16.632 1.00 0.00 H new ATOM 0 HA ASP B 112 -13.785 -2.517 -17.016 1.00 0.00 H new ATOM 0 HB2 ASP B 112 -11.876 -3.620 -14.938 1.00 0.00 H new ATOM 0 HB3 ASP B 112 -12.978 -2.264 -14.793 1.00 0.00 H new ATOM 1361 N SER B 113 -10.493 -2.866 -16.774 1.00 0.00 N ATOM 1362 CA SER B 113 -9.210 -2.308 -17.257 1.00 0.00 C ATOM 1363 C SER B 113 -8.039 -2.752 -16.349 1.00 0.00 C ATOM 1364 O SER B 113 -7.171 -1.957 -15.988 1.00 0.00 O ATOM 1365 CB SER B 113 -9.276 -0.777 -17.313 1.00 0.00 C ATOM 1366 OG SER B 113 -8.194 -0.247 -18.059 1.00 0.00 O ATOM 0 H SER B 113 -10.397 -3.511 -15.990 1.00 0.00 H new ATOM 0 HA SER B 113 -9.035 -2.691 -18.262 1.00 0.00 H new ATOM 0 HB2 SER B 113 -10.219 -0.467 -17.763 1.00 0.00 H new ATOM 0 HB3 SER B 113 -9.257 -0.372 -16.301 1.00 0.00 H new ATOM 0 HG SER B 113 -7.348 -0.520 -17.647 1.00 0.00 H new ATOM 1372 N TYR B 114 -8.045 -4.036 -15.993 1.00 0.00 N ATOM 1373 CA TYR B 114 -7.015 -4.644 -15.131 1.00 0.00 C ATOM 1374 C TYR B 114 -5.763 -5.083 -15.900 1.00 0.00 C ATOM 1375 O TYR B 114 -4.638 -4.951 -15.415 1.00 0.00 O ATOM 1376 CB TYR B 114 -7.607 -5.844 -14.418 1.00 0.00 C ATOM 1377 CG TYR B 114 -6.632 -6.976 -14.183 1.00 0.00 C ATOM 1378 CD1 TYR B 114 -5.824 -6.992 -13.059 1.00 0.00 C ATOM 1379 CD2 TYR B 114 -6.535 -8.032 -15.079 1.00 0.00 C ATOM 1380 CE1 TYR B 114 -4.944 -8.024 -12.826 1.00 0.00 C ATOM 1381 CE2 TYR B 114 -5.660 -9.072 -14.856 1.00 0.00 C ATOM 1382 CZ TYR B 114 -4.865 -9.066 -13.727 1.00 0.00 C ATOM 1383 OH TYR B 114 -3.989 -10.100 -13.502 1.00 0.00 O ATOM 0 H TYR B 114 -8.766 -4.693 -16.293 1.00 0.00 H new ATOM 0 HA TYR B 114 -6.701 -3.878 -14.422 1.00 0.00 H new ATOM 0 HB2 TYR B 114 -8.006 -5.520 -13.457 1.00 0.00 H new ATOM 0 HB3 TYR B 114 -8.447 -6.220 -15.002 1.00 0.00 H new ATOM 0 HD1 TYR B 114 -5.885 -6.179 -12.351 1.00 0.00 H new ATOM 0 HD2 TYR B 114 -7.155 -8.038 -15.964 1.00 0.00 H new ATOM 0 HE1 TYR B 114 -4.320 -8.018 -11.945 1.00 0.00 H new ATOM 0 HE2 TYR B 114 -5.596 -9.888 -15.561 1.00 0.00 H new ATOM 0 HH TYR B 114 -4.217 -10.854 -14.085 1.00 0.00 H new ATOM 1393 N GLN B 115 -5.983 -5.685 -17.064 1.00 0.00 N ATOM 1394 CA GLN B 115 -4.895 -6.249 -17.877 1.00 0.00 C ATOM 1395 C GLN B 115 -3.699 -5.303 -18.056 1.00 0.00 C ATOM 1396 O GLN B 115 -2.564 -5.754 -17.969 1.00 0.00 O ATOM 1397 CB GLN B 115 -5.425 -6.671 -19.258 1.00 0.00 C ATOM 1398 CG GLN B 115 -6.828 -6.168 -19.572 1.00 0.00 C ATOM 1399 CD GLN B 115 -7.087 -6.042 -21.059 1.00 0.00 C ATOM 1400 OE1 GLN B 115 -7.061 -7.025 -21.788 1.00 0.00 O ATOM 1401 NE2 GLN B 115 -7.336 -4.824 -21.517 1.00 0.00 N ATOM 0 H GLN B 115 -6.910 -5.799 -17.474 1.00 0.00 H new ATOM 0 HA GLN B 115 -4.530 -7.116 -17.326 1.00 0.00 H new ATOM 0 HB2 GLN B 115 -4.741 -6.305 -20.024 1.00 0.00 H new ATOM 0 HB3 GLN B 115 -5.420 -7.759 -19.319 1.00 0.00 H new ATOM 0 HG2 GLN B 115 -7.559 -6.849 -19.137 1.00 0.00 H new ATOM 0 HG3 GLN B 115 -6.976 -5.197 -19.099 1.00 0.00 H new ATOM 0 HE21 GLN B 115 -7.349 -4.031 -20.876 1.00 0.00 H new ATOM 0 HE22 GLN B 115 -7.515 -4.680 -22.511 1.00 0.00 H new ATOM 1410 N LEU B 116 -3.926 -4.017 -18.300 1.00 0.00 N ATOM 1411 CA LEU B 116 -2.806 -3.072 -18.471 1.00 0.00 C ATOM 1412 C LEU B 116 -1.817 -3.152 -17.288 1.00 0.00 C ATOM 1413 O LEU B 116 -0.607 -3.264 -17.480 1.00 0.00 O ATOM 1414 CB LEU B 116 -3.335 -1.640 -18.619 1.00 0.00 C ATOM 1415 CG LEU B 116 -3.083 -0.993 -19.984 1.00 0.00 C ATOM 1416 CD1 LEU B 116 -4.277 -0.158 -20.409 1.00 0.00 C ATOM 1417 CD2 LEU B 116 -1.826 -0.137 -19.947 1.00 0.00 C ATOM 0 H LEU B 116 -4.854 -3.601 -18.384 1.00 0.00 H new ATOM 0 HA LEU B 116 -2.271 -3.351 -19.379 1.00 0.00 H new ATOM 0 HB2 LEU B 116 -4.408 -1.644 -18.429 1.00 0.00 H new ATOM 0 HB3 LEU B 116 -2.877 -1.019 -17.849 1.00 0.00 H new ATOM 0 HG LEU B 116 -2.939 -1.788 -20.716 1.00 0.00 H new ATOM 0 HD11 LEU B 116 -4.078 0.293 -21.381 1.00 0.00 H new ATOM 0 HD12 LEU B 116 -5.160 -0.794 -20.478 1.00 0.00 H new ATOM 0 HD13 LEU B 116 -4.452 0.627 -19.674 1.00 0.00 H new ATOM 0 HD21 LEU B 116 -1.664 0.314 -20.926 1.00 0.00 H new ATOM 0 HD22 LEU B 116 -1.943 0.649 -19.200 1.00 0.00 H new ATOM 0 HD23 LEU B 116 -0.969 -0.759 -19.688 1.00 0.00 H new ATOM 1429 N LEU B 117 -2.363 -3.085 -16.077 1.00 0.00 N ATOM 1430 CA LEU B 117 -1.531 -3.139 -14.861 1.00 0.00 C ATOM 1431 C LEU B 117 -0.763 -4.454 -14.757 1.00 0.00 C ATOM 1432 O LEU B 117 0.448 -4.462 -14.521 1.00 0.00 O ATOM 1433 CB LEU B 117 -2.350 -2.936 -13.604 1.00 0.00 C ATOM 1434 CG LEU B 117 -1.901 -1.763 -12.735 1.00 0.00 C ATOM 1435 CD1 LEU B 117 -0.588 -2.082 -12.040 1.00 0.00 C ATOM 1436 CD2 LEU B 117 -1.764 -0.504 -13.573 1.00 0.00 C ATOM 0 H LEU B 117 -3.364 -2.994 -15.904 1.00 0.00 H new ATOM 0 HA LEU B 117 -0.817 -2.320 -14.948 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -3.392 -2.785 -13.886 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -2.310 -3.848 -13.009 1.00 0.00 H new ATOM 0 HG LEU B 117 -2.660 -1.592 -11.972 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -0.286 -1.234 -11.426 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -0.715 -2.961 -11.407 1.00 0.00 H new ATOM 0 HD13 LEU B 117 0.180 -2.281 -12.787 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -1.443 0.322 -12.939 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -1.025 -0.667 -14.357 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -2.726 -0.262 -14.026 1.00 0.00 H new ATOM 1448 N LYS B 118 -1.468 -5.564 -14.937 1.00 0.00 N ATOM 1449 CA LYS B 118 -0.849 -6.885 -14.873 1.00 0.00 C ATOM 1450 C LYS B 118 0.034 -7.119 -16.087 1.00 0.00 C ATOM 1451 O LYS B 118 1.007 -7.870 -16.033 1.00 0.00 O ATOM 1452 CB LYS B 118 -1.919 -7.969 -14.766 1.00 0.00 C ATOM 1453 CG LYS B 118 -2.881 -7.967 -15.932 1.00 0.00 C ATOM 1454 CD LYS B 118 -3.003 -9.354 -16.548 1.00 0.00 C ATOM 1455 CE LYS B 118 -3.152 -9.285 -18.057 1.00 0.00 C ATOM 1456 NZ LYS B 118 -1.903 -9.720 -18.753 1.00 0.00 N ATOM 0 H LYS B 118 -2.470 -5.577 -15.129 1.00 0.00 H new ATOM 0 HA LYS B 118 -0.223 -6.932 -13.982 1.00 0.00 H new ATOM 0 HB2 LYS B 118 -1.436 -8.944 -14.703 1.00 0.00 H new ATOM 0 HB3 LYS B 118 -2.478 -7.830 -13.841 1.00 0.00 H new ATOM 0 HG2 LYS B 118 -3.861 -7.627 -15.597 1.00 0.00 H new ATOM 0 HG3 LYS B 118 -2.539 -7.260 -16.688 1.00 0.00 H new ATOM 0 HD2 LYS B 118 -2.122 -9.943 -16.296 1.00 0.00 H new ATOM 0 HD3 LYS B 118 -3.864 -9.868 -16.120 1.00 0.00 H new ATOM 0 HE2 LYS B 118 -3.983 -9.917 -18.371 1.00 0.00 H new ATOM 0 HE3 LYS B 118 -3.398 -8.265 -18.353 1.00 0.00 H new ATOM 0 HZ1 LYS B 118 -2.040 -9.660 -19.782 1.00 0.00 H new ATOM 0 HZ2 LYS B 118 -1.116 -9.101 -18.472 1.00 0.00 H new ATOM 0 HZ3 LYS B 118 -1.683 -10.702 -18.490 1.00 0.00 H new ATOM 1470 N ALA B 119 -0.302 -6.433 -17.172 1.00 0.00 N ATOM 1471 CA ALA B 119 0.463 -6.511 -18.408 1.00 0.00 C ATOM 1472 C ALA B 119 1.902 -6.074 -18.154 1.00 0.00 C ATOM 1473 O ALA B 119 2.821 -6.476 -18.865 1.00 0.00 O ATOM 1474 CB ALA B 119 -0.176 -5.661 -19.499 1.00 0.00 C ATOM 0 H ALA B 119 -1.108 -5.810 -17.219 1.00 0.00 H new ATOM 0 HA ALA B 119 0.465 -7.545 -18.753 1.00 0.00 H new ATOM 0 HB1 ALA B 119 0.415 -5.737 -20.412 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -1.188 -6.017 -19.691 1.00 0.00 H new ATOM 0 HB3 ALA B 119 -0.212 -4.621 -19.175 1.00 0.00 H new ATOM 1480 N TYR B 120 2.083 -5.269 -17.104 1.00 0.00 N ATOM 1481 CA TYR B 120 3.395 -4.797 -16.706 1.00 0.00 C ATOM 1482 C TYR B 120 4.020 -5.814 -15.751 1.00 0.00 C ATOM 1483 O TYR B 120 5.193 -6.150 -15.900 1.00 0.00 O ATOM 1484 CB TYR B 120 3.303 -3.428 -16.014 1.00 0.00 C ATOM 1485 CG TYR B 120 2.656 -2.327 -16.837 1.00 0.00 C ATOM 1486 CD1 TYR B 120 2.381 -2.487 -18.192 1.00 0.00 C ATOM 1487 CD2 TYR B 120 2.326 -1.114 -16.246 1.00 0.00 C ATOM 1488 CE1 TYR B 120 1.795 -1.467 -18.925 1.00 0.00 C ATOM 1489 CE2 TYR B 120 1.743 -0.101 -16.970 1.00 0.00 C ATOM 1490 CZ TYR B 120 1.479 -0.277 -18.306 1.00 0.00 C ATOM 1491 OH TYR B 120 0.902 0.743 -19.025 1.00 0.00 O ATOM 0 H TYR B 120 1.323 -4.932 -16.514 1.00 0.00 H new ATOM 0 HA TYR B 120 4.013 -4.686 -17.597 1.00 0.00 H new ATOM 0 HB2 TYR B 120 2.741 -3.545 -15.088 1.00 0.00 H new ATOM 0 HB3 TYR B 120 4.309 -3.110 -15.739 1.00 0.00 H new ATOM 0 HD1 TYR B 120 2.628 -3.419 -18.679 1.00 0.00 H new ATOM 0 HD2 TYR B 120 2.532 -0.964 -15.196 1.00 0.00 H new ATOM 0 HE1 TYR B 120 1.587 -1.604 -19.976 1.00 0.00 H new ATOM 0 HE2 TYR B 120 1.493 0.833 -16.488 1.00 0.00 H new ATOM 0 HH TYR B 120 0.893 1.560 -18.484 1.00 0.00 H new ATOM 1501 N ASP B 121 3.185 -6.302 -14.798 1.00 0.00 N ATOM 1502 CA ASP B 121 3.558 -7.313 -13.781 1.00 0.00 C ATOM 1503 C ASP B 121 3.351 -6.788 -12.351 1.00 0.00 C ATOM 1504 O ASP B 121 3.880 -7.342 -11.386 1.00 0.00 O ATOM 1505 CB ASP B 121 4.992 -7.823 -13.973 1.00 0.00 C ATOM 1506 CG ASP B 121 6.066 -6.942 -13.348 1.00 0.00 C ATOM 1507 OD1 ASP B 121 5.851 -5.716 -13.218 1.00 0.00 O ATOM 1508 OD2 ASP B 121 7.129 -7.488 -12.990 1.00 0.00 O ATOM 0 H ASP B 121 2.215 -5.996 -14.715 1.00 0.00 H new ATOM 0 HA ASP B 121 2.887 -8.159 -13.926 1.00 0.00 H new ATOM 0 HB2 ASP B 121 5.068 -8.824 -13.547 1.00 0.00 H new ATOM 0 HB3 ASP B 121 5.191 -7.915 -15.041 1.00 0.00 H new ATOM 1513 N VAL B 122 2.535 -5.747 -12.234 1.00 0.00 N ATOM 1514 CA VAL B 122 2.199 -5.142 -10.951 1.00 0.00 C ATOM 1515 C VAL B 122 0.827 -5.596 -10.501 1.00 0.00 C ATOM 1516 O VAL B 122 0.613 -5.869 -9.317 1.00 0.00 O ATOM 1517 CB VAL B 122 2.230 -3.606 -11.068 1.00 0.00 C ATOM 1518 CG1 VAL B 122 1.706 -2.943 -9.802 1.00 0.00 C ATOM 1519 CG2 VAL B 122 3.636 -3.120 -11.384 1.00 0.00 C ATOM 0 H VAL B 122 2.085 -5.297 -13.031 1.00 0.00 H new ATOM 0 HA VAL B 122 2.935 -5.458 -10.212 1.00 0.00 H new ATOM 0 HB VAL B 122 1.572 -3.322 -11.890 1.00 0.00 H new ATOM 0 HG11 VAL B 122 1.741 -1.860 -9.917 1.00 0.00 H new ATOM 0 HG12 VAL B 122 0.677 -3.256 -9.627 1.00 0.00 H new ATOM 0 HG13 VAL B 122 2.324 -3.238 -8.954 1.00 0.00 H new ATOM 0 HG21 VAL B 122 3.636 -2.033 -11.462 1.00 0.00 H new ATOM 0 HG22 VAL B 122 4.314 -3.426 -10.588 1.00 0.00 H new ATOM 0 HG23 VAL B 122 3.967 -3.552 -12.329 1.00 0.00 H new ATOM 1529 N ASN B 123 -0.112 -5.671 -11.442 1.00 0.00 N ATOM 1530 CA ASN B 123 -1.461 -6.083 -11.122 1.00 0.00 C ATOM 1531 C ASN B 123 -2.057 -5.087 -10.133 1.00 0.00 C ATOM 1532 O ASN B 123 -2.106 -3.891 -10.413 1.00 0.00 O ATOM 1533 CB ASN B 123 -1.464 -7.518 -10.566 1.00 0.00 C ATOM 1534 CG ASN B 123 -0.510 -8.436 -11.302 1.00 0.00 C ATOM 1535 OD1 ASN B 123 -0.804 -8.909 -12.393 1.00 0.00 O ATOM 1536 ND2 ASN B 123 0.643 -8.692 -10.705 1.00 0.00 N ATOM 0 H ASN B 123 0.043 -5.451 -12.426 1.00 0.00 H new ATOM 0 HA ASN B 123 -2.077 -6.089 -12.021 1.00 0.00 H new ATOM 0 HB2 ASN B 123 -1.195 -7.494 -9.510 1.00 0.00 H new ATOM 0 HB3 ASN B 123 -2.473 -7.925 -10.629 1.00 0.00 H new ATOM 0 HD21 ASN B 123 1.325 -9.303 -11.154 1.00 0.00 H new ATOM 0 HD22 ASN B 123 0.850 -8.278 -9.796 1.00 0.00 H new ATOM 1543 N ILE B 124 -2.535 -5.558 -8.997 1.00 0.00 N ATOM 1544 CA ILE B 124 -3.138 -4.652 -8.037 1.00 0.00 C ATOM 1545 C ILE B 124 -2.645 -4.817 -6.606 1.00 0.00 C ATOM 1546 O ILE B 124 -3.173 -4.151 -5.711 1.00 0.00 O ATOM 1547 CB ILE B 124 -4.667 -4.745 -8.040 1.00 0.00 C ATOM 1548 CG1 ILE B 124 -5.136 -5.901 -8.898 1.00 0.00 C ATOM 1549 CG2 ILE B 124 -5.278 -3.445 -8.525 1.00 0.00 C ATOM 1550 CD1 ILE B 124 -4.642 -7.215 -8.375 1.00 0.00 C ATOM 0 H ILE B 124 -2.519 -6.539 -8.720 1.00 0.00 H new ATOM 0 HA ILE B 124 -2.817 -3.668 -8.380 1.00 0.00 H new ATOM 0 HB ILE B 124 -4.997 -4.924 -7.017 1.00 0.00 H new ATOM 0 HG12 ILE B 124 -6.225 -5.910 -8.933 1.00 0.00 H new ATOM 0 HG13 ILE B 124 -4.785 -5.761 -9.920 1.00 0.00 H new ATOM 0 HG21 ILE B 124 -6.365 -3.530 -8.520 1.00 0.00 H new ATOM 0 HG22 ILE B 124 -4.975 -2.632 -7.865 1.00 0.00 H new ATOM 0 HG23 ILE B 124 -4.935 -3.237 -9.538 1.00 0.00 H new ATOM 0 HD11 ILE B 124 -4.999 -8.020 -9.017 1.00 0.00 H new ATOM 0 HD12 ILE B 124 -3.552 -7.216 -8.365 1.00 0.00 H new ATOM 0 HD13 ILE B 124 -5.015 -7.367 -7.362 1.00 0.00 H new ATOM 1562 N SER B 125 -1.673 -5.704 -6.373 1.00 0.00 N ATOM 1563 CA SER B 125 -1.186 -5.925 -5.003 1.00 0.00 C ATOM 1564 C SER B 125 -1.105 -4.588 -4.244 1.00 0.00 C ATOM 1565 O SER B 125 -1.837 -4.366 -3.268 1.00 0.00 O ATOM 1566 CB SER B 125 0.188 -6.608 -5.023 1.00 0.00 C ATOM 1567 OG SER B 125 1.016 -6.152 -3.961 1.00 0.00 O ATOM 0 H SER B 125 -1.217 -6.268 -7.091 1.00 0.00 H new ATOM 0 HA SER B 125 -1.890 -6.579 -4.488 1.00 0.00 H new ATOM 0 HB2 SER B 125 0.059 -7.688 -4.946 1.00 0.00 H new ATOM 0 HB3 SER B 125 0.678 -6.412 -5.977 1.00 0.00 H new ATOM 0 HG SER B 125 1.882 -6.608 -4.003 1.00 0.00 H new ATOM 1573 N GLY B 126 -0.229 -3.693 -4.715 1.00 0.00 N ATOM 1574 CA GLY B 126 -0.075 -2.386 -4.090 1.00 0.00 C ATOM 1575 C GLY B 126 -1.043 -1.340 -4.629 1.00 0.00 C ATOM 1576 O GLY B 126 -1.369 -0.382 -3.931 1.00 0.00 O ATOM 0 H GLY B 126 0.377 -3.853 -5.520 1.00 0.00 H new ATOM 0 HA2 GLY B 126 -0.222 -2.486 -3.015 1.00 0.00 H new ATOM 0 HA3 GLY B 126 0.947 -2.037 -4.241 1.00 0.00 H new ATOM 1580 N LEU B 127 -1.510 -1.521 -5.868 1.00 0.00 N ATOM 1581 CA LEU B 127 -2.445 -0.592 -6.479 1.00 0.00 C ATOM 1582 C LEU B 127 -3.717 -0.501 -5.646 1.00 0.00 C ATOM 1583 O LEU B 127 -4.063 0.562 -5.121 1.00 0.00 O ATOM 1584 CB LEU B 127 -2.777 -1.084 -7.881 1.00 0.00 C ATOM 1585 CG LEU B 127 -3.638 -0.155 -8.713 1.00 0.00 C ATOM 1586 CD1 LEU B 127 -3.640 -0.615 -10.153 1.00 0.00 C ATOM 1587 CD2 LEU B 127 -5.042 -0.128 -8.153 1.00 0.00 C ATOM 0 H LEU B 127 -1.250 -2.307 -6.463 1.00 0.00 H new ATOM 0 HA LEU B 127 -1.995 0.400 -6.530 1.00 0.00 H new ATOM 0 HB2 LEU B 127 -1.844 -1.261 -8.415 1.00 0.00 H new ATOM 0 HB3 LEU B 127 -3.285 -2.045 -7.799 1.00 0.00 H new ATOM 0 HG LEU B 127 -3.231 0.856 -8.676 1.00 0.00 H new ATOM 0 HD11 LEU B 127 -4.260 0.055 -10.748 1.00 0.00 H new ATOM 0 HD12 LEU B 127 -2.621 -0.605 -10.539 1.00 0.00 H new ATOM 0 HD13 LEU B 127 -4.041 -1.627 -10.211 1.00 0.00 H new ATOM 0 HD21 LEU B 127 -5.660 0.541 -8.752 1.00 0.00 H new ATOM 0 HD22 LEU B 127 -5.464 -1.133 -8.179 1.00 0.00 H new ATOM 0 HD23 LEU B 127 -5.016 0.228 -7.123 1.00 0.00 H new ATOM 1599 N VAL B 128 -4.398 -1.640 -5.519 1.00 0.00 N ATOM 1600 CA VAL B 128 -5.621 -1.715 -4.735 1.00 0.00 C ATOM 1601 C VAL B 128 -5.379 -1.113 -3.362 1.00 0.00 C ATOM 1602 O VAL B 128 -5.962 -0.106 -3.014 1.00 0.00 O ATOM 1603 CB VAL B 128 -6.110 -3.175 -4.603 1.00 0.00 C ATOM 1604 CG1 VAL B 128 -6.992 -3.365 -3.378 1.00 0.00 C ATOM 1605 CG2 VAL B 128 -6.852 -3.584 -5.855 1.00 0.00 C ATOM 0 H VAL B 128 -4.120 -2.521 -5.951 1.00 0.00 H new ATOM 0 HA VAL B 128 -6.399 -1.150 -5.248 1.00 0.00 H new ATOM 0 HB VAL B 128 -5.235 -3.812 -4.477 1.00 0.00 H new ATOM 0 HG11 VAL B 128 -7.316 -4.404 -3.320 1.00 0.00 H new ATOM 0 HG12 VAL B 128 -6.428 -3.110 -2.481 1.00 0.00 H new ATOM 0 HG13 VAL B 128 -7.865 -2.717 -3.454 1.00 0.00 H new ATOM 0 HG21 VAL B 128 -7.194 -4.614 -5.755 1.00 0.00 H new ATOM 0 HG22 VAL B 128 -7.711 -2.929 -5.999 1.00 0.00 H new ATOM 0 HG23 VAL B 128 -6.187 -3.504 -6.715 1.00 0.00 H new ATOM 1615 N SER B 129 -4.490 -1.738 -2.608 1.00 0.00 N ATOM 1616 CA SER B 129 -4.129 -1.293 -1.271 1.00 0.00 C ATOM 1617 C SER B 129 -3.806 0.206 -1.188 1.00 0.00 C ATOM 1618 O SER B 129 -4.302 0.890 -0.288 1.00 0.00 O ATOM 1619 CB SER B 129 -2.902 -2.075 -0.814 1.00 0.00 C ATOM 1620 OG SER B 129 -1.776 -1.772 -1.615 1.00 0.00 O ATOM 0 H SER B 129 -3.994 -2.577 -2.909 1.00 0.00 H new ATOM 0 HA SER B 129 -4.994 -1.471 -0.633 1.00 0.00 H new ATOM 0 HB2 SER B 129 -2.685 -1.840 0.228 1.00 0.00 H new ATOM 0 HB3 SER B 129 -3.110 -3.144 -0.863 1.00 0.00 H new ATOM 0 HG SER B 129 -0.957 -2.015 -1.134 1.00 0.00 H new ATOM 1626 N THR B 130 -2.992 0.726 -2.108 1.00 0.00 N ATOM 1627 CA THR B 130 -2.647 2.141 -2.081 1.00 0.00 C ATOM 1628 C THR B 130 -3.851 2.967 -2.457 1.00 0.00 C ATOM 1629 O THR B 130 -4.189 3.941 -1.780 1.00 0.00 O ATOM 1630 CB THR B 130 -1.466 2.454 -3.010 1.00 0.00 C ATOM 1631 OG1 THR B 130 -0.675 3.500 -2.468 1.00 0.00 O ATOM 1632 CG2 THR B 130 -1.867 2.878 -4.410 1.00 0.00 C ATOM 0 H THR B 130 -2.567 0.195 -2.868 1.00 0.00 H new ATOM 0 HA THR B 130 -2.338 2.396 -1.067 1.00 0.00 H new ATOM 0 HB THR B 130 -0.916 1.516 -3.084 1.00 0.00 H new ATOM 0 HG1 THR B 130 0.075 3.688 -3.070 1.00 0.00 H new ATOM 0 HG21 THR B 130 -0.973 3.080 -4.999 1.00 0.00 H new ATOM 0 HG22 THR B 130 -2.440 2.080 -4.882 1.00 0.00 H new ATOM 0 HG23 THR B 130 -2.477 3.780 -4.356 1.00 0.00 H new ATOM 1640 N THR B 131 -4.505 2.575 -3.542 1.00 0.00 N ATOM 1641 CA THR B 131 -5.673 3.294 -3.991 1.00 0.00 C ATOM 1642 C THR B 131 -6.803 3.184 -2.971 1.00 0.00 C ATOM 1643 O THR B 131 -7.583 4.120 -2.785 1.00 0.00 O ATOM 1644 CB THR B 131 -6.128 2.833 -5.372 1.00 0.00 C ATOM 1645 OG1 THR B 131 -6.665 3.932 -6.083 1.00 0.00 O ATOM 1646 CG2 THR B 131 -7.178 1.748 -5.357 1.00 0.00 C ATOM 0 H THR B 131 -4.246 1.773 -4.116 1.00 0.00 H new ATOM 0 HA THR B 131 -5.397 4.345 -4.080 1.00 0.00 H new ATOM 0 HB THR B 131 -5.237 2.420 -5.845 1.00 0.00 H new ATOM 0 HG1 THR B 131 -7.208 3.604 -6.830 1.00 0.00 H new ATOM 0 HG21 THR B 131 -7.442 1.483 -6.381 1.00 0.00 H new ATOM 0 HG22 THR B 131 -6.786 0.870 -4.844 1.00 0.00 H new ATOM 0 HG23 THR B 131 -8.065 2.107 -4.836 1.00 0.00 H new ATOM 1654 N MET B 132 -6.868 2.033 -2.304 1.00 0.00 N ATOM 1655 CA MET B 132 -7.872 1.771 -1.285 1.00 0.00 C ATOM 1656 C MET B 132 -7.815 2.839 -0.206 1.00 0.00 C ATOM 1657 O MET B 132 -8.816 3.457 0.098 1.00 0.00 O ATOM 1658 CB MET B 132 -7.671 0.374 -0.670 1.00 0.00 C ATOM 1659 CG MET B 132 -8.040 -0.760 -1.616 1.00 0.00 C ATOM 1660 SD MET B 132 -9.636 -1.488 -1.234 1.00 0.00 S ATOM 1661 CE MET B 132 -10.033 -2.310 -2.764 1.00 0.00 C ATOM 0 H MET B 132 -6.223 1.258 -2.458 1.00 0.00 H new ATOM 0 HA MET B 132 -8.856 1.799 -1.754 1.00 0.00 H new ATOM 0 HB2 MET B 132 -6.629 0.263 -0.370 1.00 0.00 H new ATOM 0 HB3 MET B 132 -8.273 0.293 0.235 1.00 0.00 H new ATOM 0 HG2 MET B 132 -8.052 -0.385 -2.639 1.00 0.00 H new ATOM 0 HG3 MET B 132 -7.272 -1.532 -1.568 1.00 0.00 H new ATOM 0 HE1 MET B 132 -10.811 -3.052 -2.587 1.00 0.00 H new ATOM 0 HE2 MET B 132 -10.388 -1.578 -3.489 1.00 0.00 H new ATOM 0 HE3 MET B 132 -9.143 -2.804 -3.153 1.00 0.00 H new ATOM 1671 N GLN B 133 -6.632 3.064 0.357 1.00 0.00 N ATOM 1672 CA GLN B 133 -6.464 4.079 1.399 1.00 0.00 C ATOM 1673 C GLN B 133 -6.884 5.466 0.908 1.00 0.00 C ATOM 1674 O GLN B 133 -7.460 6.248 1.668 1.00 0.00 O ATOM 1675 CB GLN B 133 -5.013 4.079 1.906 1.00 0.00 C ATOM 1676 CG GLN B 133 -4.228 5.364 1.641 1.00 0.00 C ATOM 1677 CD GLN B 133 -4.074 6.227 2.879 1.00 0.00 C ATOM 1678 OE1 GLN B 133 -3.055 6.172 3.560 1.00 0.00 O ATOM 1679 NE2 GLN B 133 -5.085 7.028 3.180 1.00 0.00 N ATOM 0 H GLN B 133 -5.778 2.562 0.113 1.00 0.00 H new ATOM 0 HA GLN B 133 -7.121 3.826 2.231 1.00 0.00 H new ATOM 0 HB2 GLN B 133 -5.021 3.893 2.980 1.00 0.00 H new ATOM 0 HB3 GLN B 133 -4.483 3.247 1.442 1.00 0.00 H new ATOM 0 HG2 GLN B 133 -3.240 5.108 1.257 1.00 0.00 H new ATOM 0 HG3 GLN B 133 -4.733 5.938 0.864 1.00 0.00 H new ATOM 0 HE21 GLN B 133 -5.916 7.045 2.588 1.00 0.00 H new ATOM 0 HE22 GLN B 133 -5.033 7.628 4.003 1.00 0.00 H new ATOM 1688 N ASN B 134 -6.607 5.770 -0.358 1.00 0.00 N ATOM 1689 CA ASN B 134 -6.986 7.064 -0.915 1.00 0.00 C ATOM 1690 C ASN B 134 -8.492 7.091 -1.191 1.00 0.00 C ATOM 1691 O ASN B 134 -9.194 7.997 -0.729 1.00 0.00 O ATOM 1692 CB ASN B 134 -6.150 7.382 -2.170 1.00 0.00 C ATOM 1693 CG ASN B 134 -6.975 7.688 -3.405 1.00 0.00 C ATOM 1694 OD1 ASN B 134 -7.797 8.596 -3.407 1.00 0.00 O ATOM 1695 ND2 ASN B 134 -6.746 6.938 -4.471 1.00 0.00 N ATOM 0 H ASN B 134 -6.128 5.147 -1.009 1.00 0.00 H new ATOM 0 HA ASN B 134 -6.771 7.849 -0.190 1.00 0.00 H new ATOM 0 HB2 ASN B 134 -5.505 8.235 -1.957 1.00 0.00 H new ATOM 0 HB3 ASN B 134 -5.498 6.535 -2.383 1.00 0.00 H new ATOM 0 HD21 ASN B 134 -7.263 7.107 -5.334 1.00 0.00 H new ATOM 0 HD22 ASN B 134 -6.053 6.191 -4.430 1.00 0.00 H new ATOM 1702 N GLU B 135 -8.994 6.077 -1.899 1.00 0.00 N ATOM 1703 CA GLU B 135 -10.425 5.989 -2.176 1.00 0.00 C ATOM 1704 C GLU B 135 -11.193 5.731 -0.879 1.00 0.00 C ATOM 1705 O GLU B 135 -12.361 6.083 -0.762 1.00 0.00 O ATOM 1706 CB GLU B 135 -10.729 4.899 -3.207 1.00 0.00 C ATOM 1707 CG GLU B 135 -12.179 4.910 -3.686 1.00 0.00 C ATOM 1708 CD GLU B 135 -12.499 6.082 -4.602 1.00 0.00 C ATOM 1709 OE1 GLU B 135 -11.909 6.155 -5.700 1.00 0.00 O ATOM 1710 OE2 GLU B 135 -13.354 6.919 -4.226 1.00 0.00 O ATOM 0 H GLU B 135 -8.437 5.315 -2.286 1.00 0.00 H new ATOM 0 HA GLU B 135 -10.749 6.940 -2.598 1.00 0.00 H new ATOM 0 HB2 GLU B 135 -10.069 5.026 -4.065 1.00 0.00 H new ATOM 0 HB3 GLU B 135 -10.504 3.925 -2.773 1.00 0.00 H new ATOM 0 HG2 GLU B 135 -12.388 3.979 -4.212 1.00 0.00 H new ATOM 0 HG3 GLU B 135 -12.841 4.943 -2.820 1.00 0.00 H new ATOM 1717 N ALA B 136 -10.516 5.146 0.112 1.00 0.00 N ATOM 1718 CA ALA B 136 -11.120 4.886 1.411 1.00 0.00 C ATOM 1719 C ALA B 136 -11.350 6.208 2.127 1.00 0.00 C ATOM 1720 O ALA B 136 -12.428 6.460 2.674 1.00 0.00 O ATOM 1721 CB ALA B 136 -10.223 3.980 2.248 1.00 0.00 C ATOM 0 H ALA B 136 -9.545 4.844 0.034 1.00 0.00 H new ATOM 0 HA ALA B 136 -12.074 4.378 1.268 1.00 0.00 H new ATOM 0 HB1 ALA B 136 -10.691 3.797 3.215 1.00 0.00 H new ATOM 0 HB2 ALA B 136 -10.078 3.032 1.730 1.00 0.00 H new ATOM 0 HB3 ALA B 136 -9.257 4.462 2.398 1.00 0.00 H new ATOM 1727 N ARG B 137 -10.324 7.054 2.102 1.00 0.00 N ATOM 1728 CA ARG B 137 -10.393 8.371 2.720 1.00 0.00 C ATOM 1729 C ARG B 137 -11.280 9.315 1.937 1.00 0.00 C ATOM 1730 O ARG B 137 -12.156 9.979 2.493 1.00 0.00 O ATOM 1731 CB ARG B 137 -9.021 9.010 2.758 1.00 0.00 C ATOM 1732 CG ARG B 137 -8.501 9.244 4.156 1.00 0.00 C ATOM 1733 CD ARG B 137 -9.292 10.332 4.865 1.00 0.00 C ATOM 1734 NE ARG B 137 -9.206 10.210 6.322 1.00 0.00 N ATOM 1735 CZ ARG B 137 -10.163 10.578 7.167 1.00 0.00 C ATOM 1736 NH1 ARG B 137 -11.299 11.085 6.724 1.00 0.00 N ATOM 1737 NH2 ARG B 137 -9.978 10.435 8.464 1.00 0.00 N ATOM 0 H ARG B 137 -9.430 6.847 1.657 1.00 0.00 H new ATOM 0 HA ARG B 137 -10.795 8.216 3.721 1.00 0.00 H new ATOM 0 HB2 ARG B 137 -8.318 8.374 2.220 1.00 0.00 H new ATOM 0 HB3 ARG B 137 -9.058 9.962 2.229 1.00 0.00 H new ATOM 0 HG2 ARG B 137 -8.559 8.318 4.728 1.00 0.00 H new ATOM 0 HG3 ARG B 137 -7.449 9.526 4.113 1.00 0.00 H new ATOM 0 HD2 ARG B 137 -8.918 11.309 4.560 1.00 0.00 H new ATOM 0 HD3 ARG B 137 -10.336 10.280 4.558 1.00 0.00 H new ATOM 0 HE ARG B 137 -8.352 9.815 6.715 1.00 0.00 H new ATOM 0 HH11 ARG B 137 -11.450 11.198 5.722 1.00 0.00 H new ATOM 0 HH12 ARG B 137 -12.025 11.363 7.384 1.00 0.00 H new ATOM 0 HH21 ARG B 137 -9.104 10.044 8.814 1.00 0.00 H new ATOM 0 HH22 ARG B 137 -10.709 10.716 9.117 1.00 0.00 H new ATOM 1751 N ARG B 138 -10.976 9.429 0.649 1.00 0.00 N ATOM 1752 CA ARG B 138 -11.676 10.359 -0.218 1.00 0.00 C ATOM 1753 C ARG B 138 -13.019 9.834 -0.763 1.00 0.00 C ATOM 1754 O ARG B 138 -13.823 10.634 -1.235 1.00 0.00 O ATOM 1755 CB ARG B 138 -10.766 10.780 -1.378 1.00 0.00 C ATOM 1756 CG ARG B 138 -10.408 12.261 -1.365 1.00 0.00 C ATOM 1757 CD ARG B 138 -9.574 12.626 -0.144 1.00 0.00 C ATOM 1758 NE ARG B 138 -9.571 14.073 0.108 1.00 0.00 N ATOM 1759 CZ ARG B 138 -10.563 14.739 0.689 1.00 0.00 C ATOM 1760 NH1 ARG B 138 -11.659 14.112 1.073 1.00 0.00 N ATOM 1761 NH2 ARG B 138 -10.458 16.040 0.881 1.00 0.00 N ATOM 0 H ARG B 138 -10.248 8.886 0.185 1.00 0.00 H new ATOM 0 HA ARG B 138 -11.925 11.218 0.405 1.00 0.00 H new ATOM 0 HB2 ARG B 138 -9.849 10.193 -1.341 1.00 0.00 H new ATOM 0 HB3 ARG B 138 -11.259 10.542 -2.321 1.00 0.00 H new ATOM 0 HG2 ARG B 138 -9.856 12.510 -2.271 1.00 0.00 H new ATOM 0 HG3 ARG B 138 -11.321 12.857 -1.374 1.00 0.00 H new ATOM 0 HD2 ARG B 138 -9.965 12.107 0.731 1.00 0.00 H new ATOM 0 HD3 ARG B 138 -8.550 12.281 -0.288 1.00 0.00 H new ATOM 0 HE ARG B 138 -8.750 14.604 -0.183 1.00 0.00 H new ATOM 0 HH11 ARG B 138 -11.750 13.107 0.925 1.00 0.00 H new ATOM 0 HH12 ARG B 138 -12.415 14.632 1.518 1.00 0.00 H new ATOM 0 HH21 ARG B 138 -9.616 16.533 0.584 1.00 0.00 H new ATOM 0 HH22 ARG B 138 -11.219 16.553 1.327 1.00 0.00 H new