USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 849 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 TYR OH : rot 102:sc= 0 USER MOD Set 1.2: A 46 GLN : amide:sc= -2.39 X(o=-2.4,f=-2.7) USER MOD Set 2.1: A 3 ASN : amide:sc= -1.98 K(o=-4.7,f=-6.3!) USER MOD Set 2.2: A 4 GLN :FLIP amide:sc= -2.76! C(o=-6.8!,f=-4.7!) USER MOD Set 3.1: A 1 GLN : amide:sc= -7.34! C(o=-7.1!,f=-14!) USER MOD Set 3.2: A 86 THR OG1 : rot 178:sc= 0.236 USER MOD Single : A 1 GLN N :NH3+ -141:sc= -0.0124 (180deg=-0.504) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -110:sc= 0.723 (180deg=0.188) USER MOD Single : A 16 HIS : no HE2:sc= -7.9! C(o=-7.9!,f=-13!) USER MOD Single : A 21 GLN :FLIP amide:sc= -0.914 F(o=-2.3!,f=-0.91) USER MOD Single : A 24 MET CE :methyl -128:sc= -0.0923 (180deg=-3.05!) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.49 USER MOD Single : A 28 LYS NZ :NH3+ 154:sc= -0.454 (180deg=-1.04) USER MOD Single : A 31 MET CE :methyl 162:sc= -11.2! (180deg=-14.7!) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot -150:sc= 0.00298 USER MOD Single : A 36 GLN : amide:sc= -0.303 X(o=-0.3,f=-0.088) USER MOD Single : A 37 TYR OH : rot -81:sc= -3.48! USER MOD Single : A 39 MET CE :methyl 180:sc= -5.01! (180deg=-5.01!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN :FLIP amide:sc= -0.0328 F(o=-4.2!,f=-0.033) USER MOD Single : A 47 GLN :FLIP amide:sc= -2.2! C(o=-4.6!,f=-2.2!) USER MOD Single : A 49 GLN : amide:sc=-0.00494 X(o=-0.0049,f=-0.12) USER MOD Single : A 50 HIS : no HD1:sc= -3.61! C(o=-3.6!,f=-6.1!) USER MOD Single : A 51 MET CE :methyl 164:sc= -0.26 (180deg=-1.25) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 CYS SG : rot 143:sc= -8.56! USER MOD Single : A 66 GLN : amide:sc= -0.235 X(o=-0.23,f=-0.73) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -137:sc= -1.91! (180deg=-4.01!) USER MOD Single : A 74 SER OG : rot 180:sc= -0.86 USER MOD Single : A 77 TYR OH : rot -122:sc= -1.66 USER MOD Single : A 79 MET CE :methyl 167:sc= -6.96! (180deg=-7.48!) USER MOD Single : A 82 LYS NZ :NH3+ 169:sc= -1.76 (180deg=-1.97!) USER MOD Single : A 83 ASN :FLIP amide:sc= -4.65! C(o=-6.4!,f=-4.6!) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.264 USER MOD Single : B 115 SER OG : rot 180:sc= 0 USER MOD Single : B 116 GLN :FLIP amide:sc= -0.151 F(o=-0.97,f=-0.15) USER MOD Single : B 118 THR OG1 : rot 130:sc= -3.12! USER MOD Single : B 120 SER OG : rot 170:sc= 0 USER MOD Single : B 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 129 ASN : amide:sc= -0.105 K(o=-0.1,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 6.036 4.999 -4.989 1.00 0.00 N ATOM 2 CA GLN A 1 7.051 3.998 -4.684 1.00 0.00 C ATOM 3 C GLN A 1 6.877 3.460 -3.268 1.00 0.00 C ATOM 4 O GLN A 1 7.122 4.167 -2.290 1.00 0.00 O ATOM 5 CB GLN A 1 8.450 4.594 -4.848 1.00 0.00 C ATOM 6 CG GLN A 1 8.781 4.988 -6.278 1.00 0.00 C ATOM 7 CD GLN A 1 8.915 3.790 -7.197 1.00 0.00 C ATOM 8 OE1 GLN A 1 8.016 2.953 -7.281 1.00 0.00 O ATOM 9 NE2 GLN A 1 10.042 3.702 -7.895 1.00 0.00 N ATOM 0 H1 GLN A 1 5.718 4.882 -5.972 1.00 0.00 H new ATOM 0 H2 GLN A 1 5.227 4.880 -4.347 1.00 0.00 H new ATOM 0 H3 GLN A 1 6.438 5.950 -4.866 1.00 0.00 H new ATOM 0 HA GLN A 1 6.932 3.171 -5.384 1.00 0.00 H new ATOM 0 HB2 GLN A 1 8.539 5.472 -4.208 1.00 0.00 H new ATOM 0 HB3 GLN A 1 9.187 3.870 -4.500 1.00 0.00 H new ATOM 0 HG2 GLN A 1 8.001 5.648 -6.659 1.00 0.00 H new ATOM 0 HG3 GLN A 1 9.712 5.555 -6.288 1.00 0.00 H new ATOM 0 HE21 GLN A 1 10.761 4.418 -7.795 1.00 0.00 H new ATOM 0 HE22 GLN A 1 10.188 2.918 -8.531 1.00 0.00 H new ATOM 18 N ILE A 2 6.451 2.205 -3.165 1.00 0.00 N ATOM 19 CA ILE A 2 6.245 1.573 -1.868 1.00 0.00 C ATOM 20 C ILE A 2 6.927 0.211 -1.806 1.00 0.00 C ATOM 21 O ILE A 2 7.362 -0.324 -2.825 1.00 0.00 O ATOM 22 CB ILE A 2 4.746 1.399 -1.559 1.00 0.00 C ATOM 23 CG1 ILE A 2 3.925 2.459 -2.295 1.00 0.00 C ATOM 24 CG2 ILE A 2 4.503 1.479 -0.059 1.00 0.00 C ATOM 25 CD1 ILE A 2 4.360 3.877 -1.995 1.00 0.00 C ATOM 0 H ILE A 2 6.242 1.606 -3.964 1.00 0.00 H new ATOM 0 HA ILE A 2 6.688 2.232 -1.121 1.00 0.00 H new ATOM 0 HB ILE A 2 4.429 0.416 -1.907 1.00 0.00 H new ATOM 0 HG12 ILE A 2 4.000 2.284 -3.368 1.00 0.00 H new ATOM 0 HG13 ILE A 2 2.875 2.345 -2.026 1.00 0.00 H new ATOM 0 HG21 ILE A 2 3.439 1.354 0.144 1.00 0.00 H new ATOM 0 HG22 ILE A 2 5.063 0.690 0.443 1.00 0.00 H new ATOM 0 HG23 ILE A 2 4.832 2.450 0.312 1.00 0.00 H new ATOM 0 HD11 ILE A 2 3.734 4.575 -2.551 1.00 0.00 H new ATOM 0 HD12 ILE A 2 4.259 4.070 -0.927 1.00 0.00 H new ATOM 0 HD13 ILE A 2 5.401 4.008 -2.290 1.00 0.00 H new ATOM 37 N ASN A 3 7.015 -0.347 -0.603 1.00 0.00 N ATOM 38 CA ASN A 3 7.643 -1.649 -0.408 1.00 0.00 C ATOM 39 C ASN A 3 9.163 -1.521 -0.377 1.00 0.00 C ATOM 40 O ASN A 3 9.700 -0.419 -0.267 1.00 0.00 O ATOM 41 CB ASN A 3 7.223 -2.612 -1.519 1.00 0.00 C ATOM 42 CG ASN A 3 6.687 -3.923 -0.976 1.00 0.00 C ATOM 43 OD1 ASN A 3 7.047 -4.999 -1.455 1.00 0.00 O ATOM 44 ND2 ASN A 3 5.823 -3.839 0.028 1.00 0.00 N ATOM 0 H ASN A 3 6.659 0.082 0.251 1.00 0.00 H new ATOM 0 HA ASN A 3 7.311 -2.045 0.552 1.00 0.00 H new ATOM 0 HB2 ASN A 3 6.460 -2.139 -2.137 1.00 0.00 H new ATOM 0 HB3 ASN A 3 8.078 -2.812 -2.165 1.00 0.00 H new ATOM 0 HD21 ASN A 3 5.429 -4.688 0.434 1.00 0.00 H new ATOM 0 HD22 ASN A 3 5.553 -2.926 0.393 1.00 0.00 H new ATOM 51 N GLN A 4 9.849 -2.654 -0.477 1.00 0.00 N ATOM 52 CA GLN A 4 11.307 -2.669 -0.461 1.00 0.00 C ATOM 53 C GLN A 4 11.871 -2.007 -1.714 1.00 0.00 C ATOM 54 O GLN A 4 11.258 -2.049 -2.781 1.00 0.00 O ATOM 55 CB GLN A 4 11.823 -4.104 -0.351 1.00 0.00 C ATOM 56 CG GLN A 4 11.073 -4.944 0.671 1.00 0.00 C ATOM 57 CD GLN A 4 9.910 -5.702 0.063 1.00 0.00 C ATOM 58 OE1 GLN A 4 8.693 -5.293 0.404 1.00 0.00 O flip ATOM 59 NE2 GLN A 4 10.102 -6.645 -0.705 1.00 0.00 N flip ATOM 0 H GLN A 4 9.419 -3.574 -0.570 1.00 0.00 H new ATOM 0 HA GLN A 4 11.642 -2.104 0.409 1.00 0.00 H new ATOM 0 HB2 GLN A 4 11.750 -4.583 -1.327 1.00 0.00 H new ATOM 0 HB3 GLN A 4 12.880 -4.082 -0.085 1.00 0.00 H new ATOM 0 HG2 GLN A 4 11.763 -5.652 1.130 1.00 0.00 H new ATOM 0 HG3 GLN A 4 10.704 -4.297 1.467 1.00 0.00 H new ATOM 0 HE21 GLN A 4 11.054 -6.926 -0.940 1.00 0.00 H new ATOM 0 HE22 GLN A 4 9.309 -7.145 -1.106 1.00 0.00 H new ATOM 68 N VAL A 5 13.044 -1.396 -1.578 1.00 0.00 N ATOM 69 CA VAL A 5 13.692 -0.726 -2.699 1.00 0.00 C ATOM 70 C VAL A 5 15.171 -1.090 -2.776 1.00 0.00 C ATOM 71 O VAL A 5 15.708 -1.742 -1.880 1.00 0.00 O ATOM 72 CB VAL A 5 13.556 0.804 -2.593 1.00 0.00 C ATOM 73 CG1 VAL A 5 12.096 1.219 -2.691 1.00 0.00 C ATOM 74 CG2 VAL A 5 14.174 1.305 -1.296 1.00 0.00 C ATOM 0 H VAL A 5 13.565 -1.351 -0.702 1.00 0.00 H new ATOM 0 HA VAL A 5 13.189 -1.066 -3.605 1.00 0.00 H new ATOM 0 HB VAL A 5 14.095 1.257 -3.425 1.00 0.00 H new ATOM 0 HG11 VAL A 5 12.020 2.304 -2.614 1.00 0.00 H new ATOM 0 HG12 VAL A 5 11.689 0.894 -3.648 1.00 0.00 H new ATOM 0 HG13 VAL A 5 11.531 0.757 -1.881 1.00 0.00 H new ATOM 0 HG21 VAL A 5 14.069 2.388 -1.238 1.00 0.00 H new ATOM 0 HG22 VAL A 5 13.665 0.845 -0.449 1.00 0.00 H new ATOM 0 HG23 VAL A 5 15.231 1.041 -1.271 1.00 0.00 H new ATOM 84 N ARG A 6 15.824 -0.663 -3.852 1.00 0.00 N ATOM 85 CA ARG A 6 17.241 -0.944 -4.047 1.00 0.00 C ATOM 86 C ARG A 6 17.961 0.269 -4.627 1.00 0.00 C ATOM 87 O ARG A 6 17.962 0.503 -5.836 1.00 0.00 O ATOM 88 CB ARG A 6 17.421 -2.148 -4.973 1.00 0.00 C ATOM 89 CG ARG A 6 18.146 -3.315 -4.321 1.00 0.00 C ATOM 90 CD ARG A 6 17.942 -4.604 -5.102 1.00 0.00 C ATOM 91 NE ARG A 6 19.158 -5.410 -5.155 1.00 0.00 N ATOM 92 CZ ARG A 6 20.187 -5.136 -5.951 1.00 0.00 C ATOM 93 NH1 ARG A 6 20.145 -4.083 -6.755 1.00 0.00 N ATOM 94 NH2 ARG A 6 21.259 -5.917 -5.943 1.00 0.00 N ATOM 0 H ARG A 6 15.394 -0.121 -4.602 1.00 0.00 H new ATOM 0 HA ARG A 6 17.677 -1.173 -3.075 1.00 0.00 H new ATOM 0 HB2 ARG A 6 16.441 -2.484 -5.313 1.00 0.00 H new ATOM 0 HB3 ARG A 6 17.975 -1.835 -5.858 1.00 0.00 H new ATOM 0 HG2 ARG A 6 19.211 -3.092 -4.256 1.00 0.00 H new ATOM 0 HG3 ARG A 6 17.785 -3.445 -3.301 1.00 0.00 H new ATOM 0 HD2 ARG A 6 17.142 -5.184 -4.641 1.00 0.00 H new ATOM 0 HD3 ARG A 6 17.620 -4.366 -6.116 1.00 0.00 H new ATOM 0 HE ARG A 6 19.222 -6.228 -4.549 1.00 0.00 H new ATOM 0 HH11 ARG A 6 19.322 -3.481 -6.764 1.00 0.00 H new ATOM 0 HH12 ARG A 6 20.936 -3.875 -7.365 1.00 0.00 H new ATOM 0 HH21 ARG A 6 21.294 -6.728 -5.326 1.00 0.00 H new ATOM 0 HH22 ARG A 6 22.048 -5.706 -6.554 1.00 0.00 H new ATOM 108 N PRO A 7 18.589 1.062 -3.746 1.00 0.00 N ATOM 109 CA PRO A 7 19.325 2.265 -4.147 1.00 0.00 C ATOM 110 C PRO A 7 20.603 1.935 -4.910 1.00 0.00 C ATOM 111 O PRO A 7 21.012 0.776 -4.986 1.00 0.00 O ATOM 112 CB PRO A 7 19.657 2.939 -2.814 1.00 0.00 C ATOM 113 CG PRO A 7 19.665 1.829 -1.820 1.00 0.00 C ATOM 114 CD PRO A 7 18.630 0.845 -2.290 1.00 0.00 C ATOM 0 HA PRO A 7 18.744 2.892 -4.824 1.00 0.00 H new ATOM 0 HB2 PRO A 7 20.624 3.441 -2.854 1.00 0.00 H new ATOM 0 HB3 PRO A 7 18.915 3.695 -2.557 1.00 0.00 H new ATOM 0 HG2 PRO A 7 20.649 1.363 -1.763 1.00 0.00 H new ATOM 0 HG3 PRO A 7 19.428 2.197 -0.822 1.00 0.00 H new ATOM 0 HD2 PRO A 7 18.909 -0.180 -2.044 1.00 0.00 H new ATOM 0 HD3 PRO A 7 17.660 1.031 -1.829 1.00 0.00 H new ATOM 122 N LYS A 8 21.231 2.961 -5.475 1.00 0.00 N ATOM 123 CA LYS A 8 22.465 2.781 -6.231 1.00 0.00 C ATOM 124 C LYS A 8 23.651 3.389 -5.489 1.00 0.00 C ATOM 125 O LYS A 8 23.591 3.612 -4.279 1.00 0.00 O ATOM 126 CB LYS A 8 22.335 3.419 -7.616 1.00 0.00 C ATOM 127 CG LYS A 8 23.104 2.682 -8.699 1.00 0.00 C ATOM 128 CD LYS A 8 22.172 1.910 -9.618 1.00 0.00 C ATOM 129 CE LYS A 8 22.038 2.587 -10.973 1.00 0.00 C ATOM 130 NZ LYS A 8 21.294 3.874 -10.879 1.00 0.00 N ATOM 0 H LYS A 8 20.905 3.926 -5.424 1.00 0.00 H new ATOM 0 HA LYS A 8 22.640 1.711 -6.345 1.00 0.00 H new ATOM 0 HB2 LYS A 8 21.281 3.457 -7.892 1.00 0.00 H new ATOM 0 HB3 LYS A 8 22.689 4.449 -7.567 1.00 0.00 H new ATOM 0 HG2 LYS A 8 23.684 3.396 -9.284 1.00 0.00 H new ATOM 0 HG3 LYS A 8 23.814 1.995 -8.239 1.00 0.00 H new ATOM 0 HD2 LYS A 8 22.549 0.896 -9.752 1.00 0.00 H new ATOM 0 HD3 LYS A 8 21.189 1.825 -9.154 1.00 0.00 H new ATOM 0 HE2 LYS A 8 23.030 2.770 -11.387 1.00 0.00 H new ATOM 0 HE3 LYS A 8 21.523 1.919 -11.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 21.224 4.304 -11.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 20.339 3.697 -10.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 21.799 4.521 -10.240 1.00 0.00 H new ATOM 144 N LEU A 9 24.727 3.655 -6.221 1.00 0.00 N ATOM 145 CA LEU A 9 25.928 4.239 -5.632 1.00 0.00 C ATOM 146 C LEU A 9 25.653 5.649 -5.121 1.00 0.00 C ATOM 147 O LEU A 9 25.789 5.943 -3.933 1.00 0.00 O ATOM 148 CB LEU A 9 27.061 4.268 -6.660 1.00 0.00 C ATOM 149 CG LEU A 9 28.027 5.449 -6.560 1.00 0.00 C ATOM 150 CD1 LEU A 9 28.771 5.419 -5.234 1.00 0.00 C ATOM 151 CD2 LEU A 9 29.006 5.436 -7.724 1.00 0.00 C ATOM 0 H LEU A 9 24.793 3.476 -7.223 1.00 0.00 H new ATOM 0 HA LEU A 9 26.228 3.619 -4.787 1.00 0.00 H new ATOM 0 HB2 LEU A 9 27.635 3.346 -6.565 1.00 0.00 H new ATOM 0 HB3 LEU A 9 26.620 4.268 -7.657 1.00 0.00 H new ATOM 0 HG LEU A 9 27.449 6.372 -6.608 1.00 0.00 H new ATOM 0 HD11 LEU A 9 29.454 6.267 -5.181 1.00 0.00 H new ATOM 0 HD12 LEU A 9 28.055 5.477 -4.414 1.00 0.00 H new ATOM 0 HD13 LEU A 9 29.338 4.491 -5.156 1.00 0.00 H new ATOM 0 HD21 LEU A 9 29.686 6.283 -7.637 1.00 0.00 H new ATOM 0 HD22 LEU A 9 29.578 4.508 -7.708 1.00 0.00 H new ATOM 0 HD23 LEU A 9 28.456 5.507 -8.663 1.00 0.00 H new ATOM 163 N PRO A 10 25.254 6.544 -6.038 1.00 0.00 N ATOM 164 CA PRO A 10 24.949 7.938 -5.703 1.00 0.00 C ATOM 165 C PRO A 10 23.674 8.070 -4.876 1.00 0.00 C ATOM 166 O PRO A 10 23.346 9.153 -4.391 1.00 0.00 O ATOM 167 CB PRO A 10 24.771 8.601 -7.071 1.00 0.00 C ATOM 168 CG PRO A 10 24.367 7.491 -7.979 1.00 0.00 C ATOM 169 CD PRO A 10 25.070 6.263 -7.471 1.00 0.00 C ATOM 0 HA PRO A 10 25.731 8.391 -5.093 1.00 0.00 H new ATOM 0 HB2 PRO A 10 24.011 9.381 -7.037 1.00 0.00 H new ATOM 0 HB3 PRO A 10 25.695 9.071 -7.407 1.00 0.00 H new ATOM 0 HG2 PRO A 10 23.286 7.353 -7.970 1.00 0.00 H new ATOM 0 HG3 PRO A 10 24.652 7.706 -9.009 1.00 0.00 H new ATOM 0 HD2 PRO A 10 24.475 5.364 -7.631 1.00 0.00 H new ATOM 0 HD3 PRO A 10 26.024 6.108 -7.976 1.00 0.00 H new ATOM 177 N LEU A 11 22.960 6.961 -4.719 1.00 0.00 N ATOM 178 CA LEU A 11 21.720 6.953 -3.950 1.00 0.00 C ATOM 179 C LEU A 11 21.958 6.427 -2.539 1.00 0.00 C ATOM 180 O LEU A 11 21.170 6.684 -1.627 1.00 0.00 O ATOM 181 CB LEU A 11 20.666 6.097 -4.655 1.00 0.00 C ATOM 182 CG LEU A 11 19.321 6.774 -4.922 1.00 0.00 C ATOM 183 CD1 LEU A 11 19.503 7.990 -5.817 1.00 0.00 C ATOM 184 CD2 LEU A 11 18.344 5.790 -5.549 1.00 0.00 C ATOM 0 H LEU A 11 23.218 6.056 -5.113 1.00 0.00 H new ATOM 0 HA LEU A 11 21.358 7.979 -3.879 1.00 0.00 H new ATOM 0 HB2 LEU A 11 21.077 5.762 -5.607 1.00 0.00 H new ATOM 0 HB3 LEU A 11 20.488 5.206 -4.053 1.00 0.00 H new ATOM 0 HG LEU A 11 18.909 7.108 -3.970 1.00 0.00 H new ATOM 0 HD11 LEU A 11 18.535 8.458 -5.996 1.00 0.00 H new ATOM 0 HD12 LEU A 11 20.167 8.704 -5.330 1.00 0.00 H new ATOM 0 HD13 LEU A 11 19.937 7.680 -6.768 1.00 0.00 H new ATOM 0 HD21 LEU A 11 17.392 6.289 -5.732 1.00 0.00 H new ATOM 0 HD22 LEU A 11 18.750 5.425 -6.493 1.00 0.00 H new ATOM 0 HD23 LEU A 11 18.189 4.950 -4.872 1.00 0.00 H new ATOM 196 N LEU A 12 23.050 5.691 -2.364 1.00 0.00 N ATOM 197 CA LEU A 12 23.394 5.131 -1.062 1.00 0.00 C ATOM 198 C LEU A 12 23.941 6.209 -0.132 1.00 0.00 C ATOM 199 O LEU A 12 23.451 6.389 0.984 1.00 0.00 O ATOM 200 CB LEU A 12 24.424 4.010 -1.223 1.00 0.00 C ATOM 201 CG LEU A 12 24.637 3.114 -0.002 1.00 0.00 C ATOM 202 CD1 LEU A 12 23.347 2.978 0.792 1.00 0.00 C ATOM 203 CD2 LEU A 12 25.150 1.746 -0.428 1.00 0.00 C ATOM 0 H LEU A 12 23.712 5.468 -3.107 1.00 0.00 H new ATOM 0 HA LEU A 12 22.486 4.722 -0.619 1.00 0.00 H new ATOM 0 HB2 LEU A 12 24.120 3.382 -2.061 1.00 0.00 H new ATOM 0 HB3 LEU A 12 25.381 4.458 -1.491 1.00 0.00 H new ATOM 0 HG LEU A 12 25.387 3.578 0.639 1.00 0.00 H new ATOM 0 HD11 LEU A 12 23.518 2.337 1.657 1.00 0.00 H new ATOM 0 HD12 LEU A 12 23.021 3.962 1.129 1.00 0.00 H new ATOM 0 HD13 LEU A 12 22.576 2.537 0.160 1.00 0.00 H new ATOM 0 HD21 LEU A 12 25.296 1.122 0.453 1.00 0.00 H new ATOM 0 HD22 LEU A 12 24.424 1.275 -1.090 1.00 0.00 H new ATOM 0 HD23 LEU A 12 26.098 1.860 -0.953 1.00 0.00 H new ATOM 215 N LYS A 13 24.958 6.926 -0.599 1.00 0.00 N ATOM 216 CA LYS A 13 25.570 7.990 0.189 1.00 0.00 C ATOM 217 C LYS A 13 24.513 8.961 0.705 1.00 0.00 C ATOM 218 O LYS A 13 24.681 9.571 1.762 1.00 0.00 O ATOM 219 CB LYS A 13 26.604 8.743 -0.651 1.00 0.00 C ATOM 220 CG LYS A 13 25.990 9.611 -1.736 1.00 0.00 C ATOM 221 CD LYS A 13 26.284 11.084 -1.505 1.00 0.00 C ATOM 222 CE LYS A 13 25.172 11.757 -0.714 1.00 0.00 C ATOM 223 NZ LYS A 13 25.508 11.867 0.732 1.00 0.00 N ATOM 0 H LYS A 13 25.376 6.790 -1.519 1.00 0.00 H new ATOM 0 HA LYS A 13 26.068 7.535 1.045 1.00 0.00 H new ATOM 0 HB2 LYS A 13 27.207 9.370 0.006 1.00 0.00 H new ATOM 0 HB3 LYS A 13 27.279 8.023 -1.112 1.00 0.00 H new ATOM 0 HG2 LYS A 13 26.380 9.309 -2.708 1.00 0.00 H new ATOM 0 HG3 LYS A 13 24.912 9.454 -1.762 1.00 0.00 H new ATOM 0 HD2 LYS A 13 27.227 11.188 -0.969 1.00 0.00 H new ATOM 0 HD3 LYS A 13 26.405 11.587 -2.464 1.00 0.00 H new ATOM 0 HE2 LYS A 13 24.988 12.751 -1.121 1.00 0.00 H new ATOM 0 HE3 LYS A 13 24.249 11.189 -0.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 24.904 11.221 1.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 26.506 11.613 0.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 25.349 12.844 1.052 1.00 0.00 H new ATOM 237 N ILE A 14 23.425 9.099 -0.045 1.00 0.00 N ATOM 238 CA ILE A 14 22.341 9.994 0.339 1.00 0.00 C ATOM 239 C ILE A 14 21.701 9.551 1.650 1.00 0.00 C ATOM 240 O ILE A 14 21.603 10.329 2.600 1.00 0.00 O ATOM 241 CB ILE A 14 21.255 10.063 -0.751 1.00 0.00 C ATOM 242 CG1 ILE A 14 21.895 10.265 -2.127 1.00 0.00 C ATOM 243 CG2 ILE A 14 20.272 11.185 -0.449 1.00 0.00 C ATOM 244 CD1 ILE A 14 20.929 10.773 -3.174 1.00 0.00 C ATOM 0 H ILE A 14 23.271 8.602 -0.922 1.00 0.00 H new ATOM 0 HA ILE A 14 22.779 10.984 0.467 1.00 0.00 H new ATOM 0 HB ILE A 14 20.709 9.120 -0.759 1.00 0.00 H new ATOM 0 HG12 ILE A 14 22.721 10.970 -2.034 1.00 0.00 H new ATOM 0 HG13 ILE A 14 22.319 9.319 -2.464 1.00 0.00 H new ATOM 0 HG21 ILE A 14 19.511 11.221 -1.228 1.00 0.00 H new ATOM 0 HG22 ILE A 14 19.797 11.003 0.515 1.00 0.00 H new ATOM 0 HG23 ILE A 14 20.804 12.136 -0.417 1.00 0.00 H new ATOM 0 HD11 ILE A 14 21.451 10.893 -4.123 1.00 0.00 H new ATOM 0 HD12 ILE A 14 20.115 10.058 -3.295 1.00 0.00 H new ATOM 0 HD13 ILE A 14 20.524 11.735 -2.859 1.00 0.00 H new ATOM 256 N LEU A 15 21.268 8.296 1.697 1.00 0.00 N ATOM 257 CA LEU A 15 20.639 7.748 2.893 1.00 0.00 C ATOM 258 C LEU A 15 21.658 7.577 4.015 1.00 0.00 C ATOM 259 O LEU A 15 21.342 7.772 5.189 1.00 0.00 O ATOM 260 CB LEU A 15 19.982 6.403 2.577 1.00 0.00 C ATOM 261 CG LEU A 15 19.081 6.370 1.341 1.00 0.00 C ATOM 262 CD1 LEU A 15 18.379 5.025 1.228 1.00 0.00 C ATOM 263 CD2 LEU A 15 18.064 7.501 1.392 1.00 0.00 C ATOM 0 H LEU A 15 21.341 7.639 0.920 1.00 0.00 H new ATOM 0 HA LEU A 15 19.874 8.450 3.225 1.00 0.00 H new ATOM 0 HB2 LEU A 15 20.768 5.659 2.449 1.00 0.00 H new ATOM 0 HB3 LEU A 15 19.391 6.098 3.441 1.00 0.00 H new ATOM 0 HG LEU A 15 19.704 6.507 0.457 1.00 0.00 H new ATOM 0 HD11 LEU A 15 17.743 5.020 0.343 1.00 0.00 H new ATOM 0 HD12 LEU A 15 19.123 4.232 1.145 1.00 0.00 H new ATOM 0 HD13 LEU A 15 17.768 4.858 2.115 1.00 0.00 H new ATOM 0 HD21 LEU A 15 17.432 7.462 0.505 1.00 0.00 H new ATOM 0 HD22 LEU A 15 17.446 7.394 2.283 1.00 0.00 H new ATOM 0 HD23 LEU A 15 18.585 8.458 1.424 1.00 0.00 H new ATOM 275 N HIS A 16 22.882 7.214 3.645 1.00 0.00 N ATOM 276 CA HIS A 16 23.949 7.021 4.621 1.00 0.00 C ATOM 277 C HIS A 16 24.197 8.299 5.416 1.00 0.00 C ATOM 278 O HIS A 16 24.251 8.275 6.645 1.00 0.00 O ATOM 279 CB HIS A 16 25.236 6.585 3.920 1.00 0.00 C ATOM 280 CG HIS A 16 25.254 5.134 3.547 1.00 0.00 C ATOM 281 ND1 HIS A 16 26.412 4.447 3.249 1.00 0.00 N ATOM 282 CD2 HIS A 16 24.245 4.239 3.427 1.00 0.00 C ATOM 283 CE1 HIS A 16 26.115 3.193 2.960 1.00 0.00 C ATOM 284 NE2 HIS A 16 24.807 3.040 3.061 1.00 0.00 N ATOM 0 H HIS A 16 23.160 7.048 2.678 1.00 0.00 H new ATOM 0 HA HIS A 16 23.637 6.239 5.313 1.00 0.00 H new ATOM 0 HB2 HIS A 16 25.371 7.185 3.020 1.00 0.00 H new ATOM 0 HB3 HIS A 16 26.084 6.794 4.572 1.00 0.00 H new ATOM 0 HD1 HIS A 16 27.351 4.845 3.251 1.00 0.00 H new ATOM 0 HD2 HIS A 16 23.195 4.432 3.589 1.00 0.00 H new ATOM 0 HE1 HIS A 16 26.822 2.423 2.687 1.00 0.00 H new ATOM 292 N ALA A 17 24.347 9.412 4.706 1.00 0.00 N ATOM 293 CA ALA A 17 24.587 10.699 5.346 1.00 0.00 C ATOM 294 C ALA A 17 23.438 11.074 6.276 1.00 0.00 C ATOM 295 O ALA A 17 23.646 11.700 7.314 1.00 0.00 O ATOM 296 CB ALA A 17 24.793 11.781 4.295 1.00 0.00 C ATOM 0 H ALA A 17 24.307 9.448 3.687 1.00 0.00 H new ATOM 0 HA ALA A 17 25.492 10.614 5.947 1.00 0.00 H new ATOM 0 HB1 ALA A 17 24.971 12.737 4.787 1.00 0.00 H new ATOM 0 HB2 ALA A 17 25.652 11.527 3.674 1.00 0.00 H new ATOM 0 HB3 ALA A 17 23.903 11.855 3.670 1.00 0.00 H new ATOM 302 N ALA A 18 22.225 10.687 5.895 1.00 0.00 N ATOM 303 CA ALA A 18 21.043 10.981 6.696 1.00 0.00 C ATOM 304 C ALA A 18 21.031 10.159 7.980 1.00 0.00 C ATOM 305 O ALA A 18 20.260 10.435 8.898 1.00 0.00 O ATOM 306 CB ALA A 18 19.780 10.719 5.888 1.00 0.00 C ATOM 0 H ALA A 18 22.035 10.169 5.037 1.00 0.00 H new ATOM 0 HA ALA A 18 21.074 12.035 6.971 1.00 0.00 H new ATOM 0 HB1 ALA A 18 18.905 10.943 6.498 1.00 0.00 H new ATOM 0 HB2 ALA A 18 19.777 11.354 5.002 1.00 0.00 H new ATOM 0 HB3 ALA A 18 19.753 9.672 5.584 1.00 0.00 H new ATOM 312 N GLY A 19 21.892 9.147 8.037 1.00 0.00 N ATOM 313 CA GLY A 19 21.963 8.300 9.214 1.00 0.00 C ATOM 314 C GLY A 19 21.699 6.841 8.895 1.00 0.00 C ATOM 315 O GLY A 19 21.536 6.021 9.798 1.00 0.00 O ATOM 0 H GLY A 19 22.541 8.899 7.290 1.00 0.00 H new ATOM 0 HA2 GLY A 19 22.949 8.397 9.669 1.00 0.00 H new ATOM 0 HA3 GLY A 19 21.237 8.645 9.950 1.00 0.00 H new ATOM 319 N ALA A 20 21.656 6.517 7.607 1.00 0.00 N ATOM 320 CA ALA A 20 21.411 5.148 7.171 1.00 0.00 C ATOM 321 C ALA A 20 22.715 4.367 7.053 1.00 0.00 C ATOM 322 O ALA A 20 23.789 4.887 7.355 1.00 0.00 O ATOM 323 CB ALA A 20 20.667 5.142 5.843 1.00 0.00 C ATOM 0 H ALA A 20 21.788 7.184 6.847 1.00 0.00 H new ATOM 0 HA ALA A 20 20.793 4.659 7.924 1.00 0.00 H new ATOM 0 HB1 ALA A 20 20.491 4.113 5.529 1.00 0.00 H new ATOM 0 HB2 ALA A 20 19.712 5.655 5.959 1.00 0.00 H new ATOM 0 HB3 ALA A 20 21.265 5.654 5.089 1.00 0.00 H new ATOM 329 N GLN A 21 22.613 3.117 6.613 1.00 0.00 N ATOM 330 CA GLN A 21 23.786 2.265 6.457 1.00 0.00 C ATOM 331 C GLN A 21 23.386 0.869 5.990 1.00 0.00 C ATOM 332 O GLN A 21 22.778 0.104 6.737 1.00 0.00 O ATOM 333 CB GLN A 21 24.555 2.174 7.776 1.00 0.00 C ATOM 334 CG GLN A 21 26.065 2.181 7.601 1.00 0.00 C ATOM 335 CD GLN A 21 26.662 3.568 7.738 1.00 0.00 C ATOM 336 OE1 GLN A 21 26.210 4.493 6.900 1.00 0.00 O flip ATOM 337 NE2 GLN A 21 27.521 3.805 8.589 1.00 0.00 N flip ATOM 0 H GLN A 21 21.731 2.672 6.358 1.00 0.00 H new ATOM 0 HA GLN A 21 24.430 2.711 5.699 1.00 0.00 H new ATOM 0 HB2 GLN A 21 24.267 3.010 8.413 1.00 0.00 H new ATOM 0 HB3 GLN A 21 24.262 1.262 8.296 1.00 0.00 H new ATOM 0 HG2 GLN A 21 26.516 1.521 8.342 1.00 0.00 H new ATOM 0 HG3 GLN A 21 26.315 1.777 6.620 1.00 0.00 H new ATOM 0 HE21 GLN A 21 27.839 3.063 9.213 1.00 0.00 H new ATOM 0 HE22 GLN A 21 27.914 4.743 8.670 1.00 0.00 H new ATOM 346 N GLY A 22 23.733 0.544 4.748 1.00 0.00 N ATOM 347 CA GLY A 22 23.401 -0.760 4.203 1.00 0.00 C ATOM 348 C GLY A 22 23.303 -0.747 2.690 1.00 0.00 C ATOM 349 O GLY A 22 23.960 0.053 2.026 1.00 0.00 O ATOM 0 H GLY A 22 24.238 1.160 4.110 1.00 0.00 H new ATOM 0 HA2 GLY A 22 24.158 -1.482 4.509 1.00 0.00 H new ATOM 0 HA3 GLY A 22 22.453 -1.095 4.623 1.00 0.00 H new ATOM 353 N GLU A 23 22.480 -1.638 2.145 1.00 0.00 N ATOM 354 CA GLU A 23 22.300 -1.727 0.701 1.00 0.00 C ATOM 355 C GLU A 23 20.818 -1.766 0.338 1.00 0.00 C ATOM 356 O GLU A 23 20.392 -1.153 -0.640 1.00 0.00 O ATOM 357 CB GLU A 23 23.003 -2.970 0.153 1.00 0.00 C ATOM 358 CG GLU A 23 24.015 -2.666 -0.939 1.00 0.00 C ATOM 359 CD GLU A 23 23.384 -2.017 -2.156 1.00 0.00 C ATOM 360 OE1 GLU A 23 23.053 -0.816 -2.083 1.00 0.00 O ATOM 361 OE2 GLU A 23 23.221 -2.713 -3.180 1.00 0.00 O ATOM 0 H GLU A 23 21.928 -2.307 2.681 1.00 0.00 H new ATOM 0 HA GLU A 23 22.743 -0.839 0.250 1.00 0.00 H new ATOM 0 HB2 GLU A 23 23.508 -3.482 0.972 1.00 0.00 H new ATOM 0 HB3 GLU A 23 22.254 -3.658 -0.239 1.00 0.00 H new ATOM 0 HG2 GLU A 23 24.787 -2.008 -0.540 1.00 0.00 H new ATOM 0 HG3 GLU A 23 24.508 -3.590 -1.240 1.00 0.00 H new ATOM 368 N MET A 24 20.039 -2.490 1.134 1.00 0.00 N ATOM 369 CA MET A 24 18.605 -2.609 0.898 1.00 0.00 C ATOM 370 C MET A 24 17.816 -1.824 1.941 1.00 0.00 C ATOM 371 O MET A 24 18.226 -1.721 3.097 1.00 0.00 O ATOM 372 CB MET A 24 18.182 -4.079 0.922 1.00 0.00 C ATOM 373 CG MET A 24 19.348 -5.049 0.809 1.00 0.00 C ATOM 374 SD MET A 24 20.069 -5.457 2.411 1.00 0.00 S ATOM 375 CE MET A 24 21.792 -5.660 1.964 1.00 0.00 C ATOM 0 H MET A 24 20.376 -3.003 1.948 1.00 0.00 H new ATOM 0 HA MET A 24 18.388 -2.193 -0.086 1.00 0.00 H new ATOM 0 HB2 MET A 24 17.643 -4.278 1.848 1.00 0.00 H new ATOM 0 HB3 MET A 24 17.487 -4.262 0.103 1.00 0.00 H new ATOM 0 HG2 MET A 24 19.009 -5.964 0.324 1.00 0.00 H new ATOM 0 HG3 MET A 24 20.116 -4.615 0.169 1.00 0.00 H new ATOM 0 HE1 MET A 24 22.153 -6.620 2.334 1.00 0.00 H new ATOM 0 HE2 MET A 24 21.893 -5.628 0.879 1.00 0.00 H new ATOM 0 HE3 MET A 24 22.380 -4.856 2.407 1.00 0.00 H new ATOM 385 N PHE A 25 16.681 -1.272 1.525 1.00 0.00 N ATOM 386 CA PHE A 25 15.834 -0.495 2.422 1.00 0.00 C ATOM 387 C PHE A 25 14.427 -0.346 1.851 1.00 0.00 C ATOM 388 O PHE A 25 14.220 -0.457 0.642 1.00 0.00 O ATOM 389 CB PHE A 25 16.446 0.886 2.667 1.00 0.00 C ATOM 390 CG PHE A 25 17.847 0.834 3.208 1.00 0.00 C ATOM 391 CD1 PHE A 25 18.930 0.716 2.352 1.00 0.00 C ATOM 392 CD2 PHE A 25 18.079 0.904 4.572 1.00 0.00 C ATOM 393 CE1 PHE A 25 20.219 0.668 2.847 1.00 0.00 C ATOM 394 CE2 PHE A 25 19.367 0.856 5.073 1.00 0.00 C ATOM 395 CZ PHE A 25 20.438 0.739 4.209 1.00 0.00 C ATOM 0 H PHE A 25 16.326 -1.349 0.572 1.00 0.00 H new ATOM 0 HA PHE A 25 15.767 -1.029 3.370 1.00 0.00 H new ATOM 0 HB2 PHE A 25 16.447 1.445 1.731 1.00 0.00 H new ATOM 0 HB3 PHE A 25 15.815 1.435 3.366 1.00 0.00 H new ATOM 0 HD1 PHE A 25 18.765 0.661 1.286 1.00 0.00 H new ATOM 0 HD2 PHE A 25 17.245 0.997 5.252 1.00 0.00 H new ATOM 0 HE1 PHE A 25 21.055 0.575 2.169 1.00 0.00 H new ATOM 0 HE2 PHE A 25 19.535 0.910 6.138 1.00 0.00 H new ATOM 0 HZ PHE A 25 21.445 0.703 4.598 1.00 0.00 H new ATOM 405 N THR A 26 13.462 -0.095 2.730 1.00 0.00 N ATOM 406 CA THR A 26 12.074 0.067 2.315 1.00 0.00 C ATOM 407 C THR A 26 11.715 1.541 2.160 1.00 0.00 C ATOM 408 O THR A 26 12.381 2.414 2.716 1.00 0.00 O ATOM 409 CB THR A 26 11.107 -0.582 3.322 1.00 0.00 C ATOM 410 OG1 THR A 26 11.780 -0.823 4.563 1.00 0.00 O ATOM 411 CG2 THR A 26 10.555 -1.890 2.777 1.00 0.00 C ATOM 0 H THR A 26 13.616 0.001 3.734 1.00 0.00 H new ATOM 0 HA THR A 26 11.972 -0.432 1.352 1.00 0.00 H new ATOM 0 HB THR A 26 10.276 0.104 3.487 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.157 -1.235 5.198 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.874 -2.330 3.506 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.018 -1.699 1.848 1.00 0.00 H new ATOM 0 HG23 THR A 26 11.377 -2.580 2.586 1.00 0.00 H new ATOM 419 N VAL A 27 10.657 1.811 1.401 1.00 0.00 N ATOM 420 CA VAL A 27 10.208 3.180 1.175 1.00 0.00 C ATOM 421 C VAL A 27 10.197 3.976 2.475 1.00 0.00 C ATOM 422 O VAL A 27 10.812 5.038 2.571 1.00 0.00 O ATOM 423 CB VAL A 27 8.800 3.213 0.553 1.00 0.00 C ATOM 424 CG1 VAL A 27 8.090 1.885 0.768 1.00 0.00 C ATOM 425 CG2 VAL A 27 7.988 4.361 1.133 1.00 0.00 C ATOM 0 H VAL A 27 10.095 1.100 0.933 1.00 0.00 H new ATOM 0 HA VAL A 27 10.914 3.635 0.480 1.00 0.00 H new ATOM 0 HB VAL A 27 8.900 3.375 -0.520 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.096 1.927 0.322 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.664 1.085 0.300 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.000 1.689 1.837 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.996 4.369 0.682 1.00 0.00 H new ATOM 0 HG22 VAL A 27 7.895 4.233 2.211 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.490 5.305 0.922 1.00 0.00 H new ATOM 435 N LYS A 28 9.492 3.456 3.474 1.00 0.00 N ATOM 436 CA LYS A 28 9.400 4.117 4.771 1.00 0.00 C ATOM 437 C LYS A 28 10.787 4.456 5.308 1.00 0.00 C ATOM 438 O LYS A 28 10.958 5.434 6.034 1.00 0.00 O ATOM 439 CB LYS A 28 8.659 3.225 5.770 1.00 0.00 C ATOM 440 CG LYS A 28 7.192 3.584 5.934 1.00 0.00 C ATOM 441 CD LYS A 28 6.339 2.960 4.843 1.00 0.00 C ATOM 442 CE LYS A 28 6.541 1.454 4.771 1.00 0.00 C ATOM 443 NZ LYS A 28 6.657 0.845 6.125 1.00 0.00 N ATOM 0 H LYS A 28 8.976 2.579 3.411 1.00 0.00 H new ATOM 0 HA LYS A 28 8.843 5.045 4.639 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.736 2.187 5.445 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.152 3.293 6.740 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.841 3.246 6.909 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.077 4.668 5.912 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.288 3.179 5.032 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.590 3.408 3.882 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.705 1.000 4.239 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.441 1.235 4.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.357 -0.150 6.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.645 0.896 6.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.050 1.363 6.792 1.00 0.00 H new ATOM 457 N GLU A 29 11.773 3.642 4.945 1.00 0.00 N ATOM 458 CA GLU A 29 13.144 3.857 5.391 1.00 0.00 C ATOM 459 C GLU A 29 13.833 4.919 4.538 1.00 0.00 C ATOM 460 O GLU A 29 14.298 5.938 5.050 1.00 0.00 O ATOM 461 CB GLU A 29 13.935 2.549 5.332 1.00 0.00 C ATOM 462 CG GLU A 29 13.409 1.477 6.273 1.00 0.00 C ATOM 463 CD GLU A 29 14.325 0.271 6.354 1.00 0.00 C ATOM 464 OE1 GLU A 29 14.175 -0.644 5.518 1.00 0.00 O ATOM 465 OE2 GLU A 29 15.191 0.243 7.253 1.00 0.00 O ATOM 0 H GLU A 29 11.648 2.828 4.343 1.00 0.00 H new ATOM 0 HA GLU A 29 13.112 4.207 6.423 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.914 2.167 4.311 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.978 2.753 5.574 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.285 1.902 7.269 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.422 1.157 5.938 1.00 0.00 H new ATOM 472 N VAL A 30 13.896 4.672 3.233 1.00 0.00 N ATOM 473 CA VAL A 30 14.527 5.606 2.308 1.00 0.00 C ATOM 474 C VAL A 30 13.955 7.010 2.469 1.00 0.00 C ATOM 475 O VAL A 30 14.662 8.003 2.300 1.00 0.00 O ATOM 476 CB VAL A 30 14.349 5.155 0.847 1.00 0.00 C ATOM 477 CG1 VAL A 30 15.203 6.004 -0.082 1.00 0.00 C ATOM 478 CG2 VAL A 30 14.691 3.680 0.700 1.00 0.00 C ATOM 0 H VAL A 30 13.518 3.833 2.793 1.00 0.00 H new ATOM 0 HA VAL A 30 15.590 5.621 2.549 1.00 0.00 H new ATOM 0 HB VAL A 30 13.304 5.292 0.567 1.00 0.00 H new ATOM 0 HG11 VAL A 30 15.064 5.670 -1.110 1.00 0.00 H new ATOM 0 HG12 VAL A 30 14.905 7.049 0.004 1.00 0.00 H new ATOM 0 HG13 VAL A 30 16.253 5.902 0.194 1.00 0.00 H new ATOM 0 HG21 VAL A 30 14.560 3.378 -0.339 1.00 0.00 H new ATOM 0 HG22 VAL A 30 15.727 3.515 0.998 1.00 0.00 H new ATOM 0 HG23 VAL A 30 14.032 3.089 1.336 1.00 0.00 H new ATOM 488 N MET A 31 12.669 7.085 2.796 1.00 0.00 N ATOM 489 CA MET A 31 12.001 8.368 2.981 1.00 0.00 C ATOM 490 C MET A 31 12.437 9.024 4.287 1.00 0.00 C ATOM 491 O MET A 31 12.710 10.224 4.330 1.00 0.00 O ATOM 492 CB MET A 31 10.483 8.183 2.971 1.00 0.00 C ATOM 493 CG MET A 31 9.786 8.812 4.167 1.00 0.00 C ATOM 494 SD MET A 31 9.924 10.610 4.184 1.00 0.00 S ATOM 495 CE MET A 31 9.900 10.968 2.429 1.00 0.00 C ATOM 0 H MET A 31 12.069 6.273 2.938 1.00 0.00 H new ATOM 0 HA MET A 31 12.285 9.020 2.155 1.00 0.00 H new ATOM 0 HB2 MET A 31 10.078 8.616 2.056 1.00 0.00 H new ATOM 0 HB3 MET A 31 10.255 7.117 2.947 1.00 0.00 H new ATOM 0 HG2 MET A 31 8.733 8.532 4.157 1.00 0.00 H new ATOM 0 HG3 MET A 31 10.214 8.410 5.085 1.00 0.00 H new ATOM 0 HE1 MET A 31 9.657 12.019 2.275 1.00 0.00 H new ATOM 0 HE2 MET A 31 10.880 10.755 2.001 1.00 0.00 H new ATOM 0 HE3 MET A 31 9.148 10.347 1.941 1.00 0.00 H new ATOM 505 N HIS A 32 12.499 8.230 5.351 1.00 0.00 N ATOM 506 CA HIS A 32 12.902 8.735 6.659 1.00 0.00 C ATOM 507 C HIS A 32 14.272 9.403 6.585 1.00 0.00 C ATOM 508 O HIS A 32 14.558 10.338 7.333 1.00 0.00 O ATOM 509 CB HIS A 32 12.931 7.598 7.681 1.00 0.00 C ATOM 510 CG HIS A 32 12.685 8.050 9.087 1.00 0.00 C ATOM 511 ND1 HIS A 32 11.648 7.572 9.861 1.00 0.00 N ATOM 512 CD2 HIS A 32 13.349 8.941 9.860 1.00 0.00 C ATOM 513 CE1 HIS A 32 11.685 8.151 11.048 1.00 0.00 C ATOM 514 NE2 HIS A 32 12.708 8.986 11.073 1.00 0.00 N ATOM 0 H HIS A 32 12.276 7.235 5.333 1.00 0.00 H new ATOM 0 HA HIS A 32 12.171 9.479 6.975 1.00 0.00 H new ATOM 0 HB2 HIS A 32 12.179 6.857 7.409 1.00 0.00 H new ATOM 0 HB3 HIS A 32 13.900 7.101 7.632 1.00 0.00 H new ATOM 0 HD2 HIS A 32 14.221 9.511 9.575 1.00 0.00 H new ATOM 0 HE1 HIS A 32 10.996 7.972 11.860 1.00 0.00 H new ATOM 0 HE2 HIS A 32 12.978 9.569 11.865 1.00 0.00 H new ATOM 522 N TYR A 33 15.114 8.916 5.681 1.00 0.00 N ATOM 523 CA TYR A 33 16.455 9.463 5.512 1.00 0.00 C ATOM 524 C TYR A 33 16.407 10.812 4.799 1.00 0.00 C ATOM 525 O TYR A 33 17.209 11.704 5.078 1.00 0.00 O ATOM 526 CB TYR A 33 17.331 8.489 4.724 1.00 0.00 C ATOM 527 CG TYR A 33 17.528 7.158 5.414 1.00 0.00 C ATOM 528 CD1 TYR A 33 17.821 7.093 6.771 1.00 0.00 C ATOM 529 CD2 TYR A 33 17.421 5.965 4.709 1.00 0.00 C ATOM 530 CE1 TYR A 33 18.002 5.879 7.405 1.00 0.00 C ATOM 531 CE2 TYR A 33 17.599 4.747 5.336 1.00 0.00 C ATOM 532 CZ TYR A 33 17.890 4.709 6.683 1.00 0.00 C ATOM 533 OH TYR A 33 18.069 3.498 7.312 1.00 0.00 O ATOM 0 H TYR A 33 14.892 8.143 5.054 1.00 0.00 H new ATOM 0 HA TYR A 33 16.887 9.610 6.502 1.00 0.00 H new ATOM 0 HB2 TYR A 33 16.881 8.319 3.746 1.00 0.00 H new ATOM 0 HB3 TYR A 33 18.305 8.947 4.552 1.00 0.00 H new ATOM 0 HD1 TYR A 33 17.909 8.007 7.340 1.00 0.00 H new ATOM 0 HD2 TYR A 33 17.195 5.991 3.653 1.00 0.00 H new ATOM 0 HE1 TYR A 33 18.230 5.846 8.460 1.00 0.00 H new ATOM 0 HE2 TYR A 33 17.511 3.829 4.774 1.00 0.00 H new ATOM 0 HH TYR A 33 18.428 2.847 6.673 1.00 0.00 H new ATOM 543 N LEU A 34 15.460 10.953 3.879 1.00 0.00 N ATOM 544 CA LEU A 34 15.304 12.192 3.125 1.00 0.00 C ATOM 545 C LEU A 34 15.253 13.396 4.061 1.00 0.00 C ATOM 546 O LEU A 34 16.070 14.309 3.959 1.00 0.00 O ATOM 547 CB LEU A 34 14.034 12.139 2.274 1.00 0.00 C ATOM 548 CG LEU A 34 14.242 12.100 0.760 1.00 0.00 C ATOM 549 CD1 LEU A 34 15.074 13.290 0.305 1.00 0.00 C ATOM 550 CD2 LEU A 34 14.904 10.794 0.345 1.00 0.00 C ATOM 0 H LEU A 34 14.788 10.225 3.637 1.00 0.00 H new ATOM 0 HA LEU A 34 16.168 12.300 2.470 1.00 0.00 H new ATOM 0 HB2 LEU A 34 13.462 11.258 2.565 1.00 0.00 H new ATOM 0 HB3 LEU A 34 13.423 13.009 2.514 1.00 0.00 H new ATOM 0 HG LEU A 34 13.267 12.158 0.277 1.00 0.00 H new ATOM 0 HD11 LEU A 34 15.212 13.246 -0.775 1.00 0.00 H new ATOM 0 HD12 LEU A 34 14.560 14.215 0.568 1.00 0.00 H new ATOM 0 HD13 LEU A 34 16.047 13.263 0.796 1.00 0.00 H new ATOM 0 HD21 LEU A 34 15.044 10.784 -0.736 1.00 0.00 H new ATOM 0 HD22 LEU A 34 15.872 10.705 0.837 1.00 0.00 H new ATOM 0 HD23 LEU A 34 14.270 9.956 0.636 1.00 0.00 H new ATOM 562 N GLY A 35 14.287 13.388 4.974 1.00 0.00 N ATOM 563 CA GLY A 35 14.148 14.484 5.916 1.00 0.00 C ATOM 564 C GLY A 35 15.430 14.761 6.675 1.00 0.00 C ATOM 565 O GLY A 35 15.853 15.911 6.790 1.00 0.00 O ATOM 0 H GLY A 35 13.598 12.643 5.079 1.00 0.00 H new ATOM 0 HA2 GLY A 35 13.845 15.384 5.380 1.00 0.00 H new ATOM 0 HA3 GLY A 35 13.353 14.252 6.624 1.00 0.00 H new ATOM 569 N GLN A 36 16.049 13.706 7.195 1.00 0.00 N ATOM 570 CA GLN A 36 17.289 13.844 7.950 1.00 0.00 C ATOM 571 C GLN A 36 18.374 14.495 7.099 1.00 0.00 C ATOM 572 O GLN A 36 19.103 15.370 7.568 1.00 0.00 O ATOM 573 CB GLN A 36 17.764 12.476 8.443 1.00 0.00 C ATOM 574 CG GLN A 36 16.783 11.794 9.384 1.00 0.00 C ATOM 575 CD GLN A 36 17.450 11.263 10.637 1.00 0.00 C ATOM 576 OE1 GLN A 36 17.245 10.111 11.023 1.00 0.00 O ATOM 577 NE2 GLN A 36 18.255 12.100 11.281 1.00 0.00 N ATOM 0 H GLN A 36 15.713 12.747 7.107 1.00 0.00 H new ATOM 0 HA GLN A 36 17.093 14.485 8.810 1.00 0.00 H new ATOM 0 HB2 GLN A 36 17.939 11.830 7.583 1.00 0.00 H new ATOM 0 HB3 GLN A 36 18.720 12.595 8.952 1.00 0.00 H new ATOM 0 HG2 GLN A 36 16.003 12.501 9.664 1.00 0.00 H new ATOM 0 HG3 GLN A 36 16.295 10.972 8.861 1.00 0.00 H new ATOM 0 HE21 GLN A 36 18.397 13.046 10.926 1.00 0.00 H new ATOM 0 HE22 GLN A 36 18.732 11.797 12.130 1.00 0.00 H new ATOM 586 N TYR A 37 18.475 14.064 5.847 1.00 0.00 N ATOM 587 CA TYR A 37 19.474 14.604 4.931 1.00 0.00 C ATOM 588 C TYR A 37 19.271 16.102 4.726 1.00 0.00 C ATOM 589 O TYR A 37 20.223 16.882 4.783 1.00 0.00 O ATOM 590 CB TYR A 37 19.406 13.880 3.585 1.00 0.00 C ATOM 591 CG TYR A 37 20.468 14.324 2.605 1.00 0.00 C ATOM 592 CD1 TYR A 37 21.805 14.006 2.807 1.00 0.00 C ATOM 593 CD2 TYR A 37 20.134 15.061 1.475 1.00 0.00 C ATOM 594 CE1 TYR A 37 22.779 14.410 1.914 1.00 0.00 C ATOM 595 CE2 TYR A 37 21.100 15.468 0.576 1.00 0.00 C ATOM 596 CZ TYR A 37 22.421 15.141 0.800 1.00 0.00 C ATOM 597 OH TYR A 37 23.388 15.544 -0.092 1.00 0.00 O ATOM 0 H TYR A 37 17.878 13.343 5.443 1.00 0.00 H new ATOM 0 HA TYR A 37 20.458 14.446 5.372 1.00 0.00 H new ATOM 0 HB2 TYR A 37 19.504 12.808 3.753 1.00 0.00 H new ATOM 0 HB3 TYR A 37 18.424 14.045 3.143 1.00 0.00 H new ATOM 0 HD1 TYR A 37 22.088 13.433 3.677 1.00 0.00 H new ATOM 0 HD2 TYR A 37 19.101 15.320 1.297 1.00 0.00 H new ATOM 0 HE1 TYR A 37 23.814 14.155 2.087 1.00 0.00 H new ATOM 0 HE2 TYR A 37 20.823 16.039 -0.298 1.00 0.00 H new ATOM 0 HH TYR A 37 23.831 16.350 0.247 1.00 0.00 H new ATOM 607 N ILE A 38 18.025 16.497 4.488 1.00 0.00 N ATOM 608 CA ILE A 38 17.697 17.901 4.276 1.00 0.00 C ATOM 609 C ILE A 38 18.080 18.744 5.488 1.00 0.00 C ATOM 610 O ILE A 38 18.693 19.802 5.352 1.00 0.00 O ATOM 611 CB ILE A 38 16.196 18.091 3.987 1.00 0.00 C ATOM 612 CG1 ILE A 38 15.781 17.264 2.769 1.00 0.00 C ATOM 613 CG2 ILE A 38 15.881 19.563 3.767 1.00 0.00 C ATOM 614 CD1 ILE A 38 14.288 17.252 2.527 1.00 0.00 C ATOM 0 H ILE A 38 17.226 15.865 4.437 1.00 0.00 H new ATOM 0 HA ILE A 38 18.270 18.232 3.410 1.00 0.00 H new ATOM 0 HB ILE A 38 15.628 17.743 4.850 1.00 0.00 H new ATOM 0 HG12 ILE A 38 16.281 17.659 1.885 1.00 0.00 H new ATOM 0 HG13 ILE A 38 16.128 16.239 2.901 1.00 0.00 H new ATOM 0 HG21 ILE A 38 14.817 19.681 3.564 1.00 0.00 H new ATOM 0 HG22 ILE A 38 16.145 20.129 4.660 1.00 0.00 H new ATOM 0 HG23 ILE A 38 16.456 19.935 2.919 1.00 0.00 H new ATOM 0 HD11 ILE A 38 14.067 16.647 1.648 1.00 0.00 H new ATOM 0 HD12 ILE A 38 13.782 16.830 3.395 1.00 0.00 H new ATOM 0 HD13 ILE A 38 13.938 18.271 2.363 1.00 0.00 H new ATOM 626 N MET A 39 17.715 18.266 6.674 1.00 0.00 N ATOM 627 CA MET A 39 18.024 18.975 7.910 1.00 0.00 C ATOM 628 C MET A 39 19.521 18.934 8.201 1.00 0.00 C ATOM 629 O MET A 39 20.053 19.804 8.891 1.00 0.00 O ATOM 630 CB MET A 39 17.248 18.365 9.080 1.00 0.00 C ATOM 631 CG MET A 39 17.904 17.123 9.662 1.00 0.00 C ATOM 632 SD MET A 39 18.406 17.344 11.380 1.00 0.00 S ATOM 633 CE MET A 39 19.437 18.803 11.247 1.00 0.00 C ATOM 0 H MET A 39 17.206 17.392 6.805 1.00 0.00 H new ATOM 0 HA MET A 39 17.724 20.016 7.787 1.00 0.00 H new ATOM 0 HB2 MET A 39 17.144 19.113 9.866 1.00 0.00 H new ATOM 0 HB3 MET A 39 16.242 18.112 8.746 1.00 0.00 H new ATOM 0 HG2 MET A 39 17.210 16.285 9.595 1.00 0.00 H new ATOM 0 HG3 MET A 39 18.777 16.863 9.063 1.00 0.00 H new ATOM 0 HE1 MET A 39 19.824 19.066 12.232 1.00 0.00 H new ATOM 0 HE2 MET A 39 20.269 18.600 10.573 1.00 0.00 H new ATOM 0 HE3 MET A 39 18.846 19.631 10.856 1.00 0.00 H new ATOM 643 N VAL A 40 20.195 17.918 7.672 1.00 0.00 N ATOM 644 CA VAL A 40 21.630 17.764 7.875 1.00 0.00 C ATOM 645 C VAL A 40 22.413 18.782 7.053 1.00 0.00 C ATOM 646 O VAL A 40 23.405 19.343 7.519 1.00 0.00 O ATOM 647 CB VAL A 40 22.102 16.347 7.500 1.00 0.00 C ATOM 648 CG1 VAL A 40 22.918 16.377 6.217 1.00 0.00 C ATOM 649 CG2 VAL A 40 22.904 15.734 8.638 1.00 0.00 C ATOM 0 H VAL A 40 19.770 17.189 7.099 1.00 0.00 H new ATOM 0 HA VAL A 40 21.819 17.933 8.935 1.00 0.00 H new ATOM 0 HB VAL A 40 21.224 15.724 7.328 1.00 0.00 H new ATOM 0 HG11 VAL A 40 23.243 15.367 5.968 1.00 0.00 H new ATOM 0 HG12 VAL A 40 22.306 16.771 5.406 1.00 0.00 H new ATOM 0 HG13 VAL A 40 23.791 17.015 6.356 1.00 0.00 H new ATOM 0 HG21 VAL A 40 23.229 14.733 8.356 1.00 0.00 H new ATOM 0 HG22 VAL A 40 23.776 16.355 8.844 1.00 0.00 H new ATOM 0 HG23 VAL A 40 22.282 15.675 9.531 1.00 0.00 H new ATOM 659 N LYS A 41 21.960 19.017 5.826 1.00 0.00 N ATOM 660 CA LYS A 41 22.616 19.969 4.937 1.00 0.00 C ATOM 661 C LYS A 41 22.002 21.358 5.079 1.00 0.00 C ATOM 662 O LYS A 41 22.585 22.351 4.645 1.00 0.00 O ATOM 663 CB LYS A 41 22.510 19.499 3.485 1.00 0.00 C ATOM 664 CG LYS A 41 23.433 18.340 3.151 1.00 0.00 C ATOM 665 CD LYS A 41 24.863 18.625 3.578 1.00 0.00 C ATOM 666 CE LYS A 41 25.314 20.007 3.128 1.00 0.00 C ATOM 667 NZ LYS A 41 26.798 20.133 3.127 1.00 0.00 N ATOM 0 H LYS A 41 21.141 18.561 5.424 1.00 0.00 H new ATOM 0 HA LYS A 41 23.668 20.025 5.218 1.00 0.00 H new ATOM 0 HB2 LYS A 41 21.481 19.203 3.282 1.00 0.00 H new ATOM 0 HB3 LYS A 41 22.737 20.335 2.824 1.00 0.00 H new ATOM 0 HG2 LYS A 41 23.078 17.436 3.646 1.00 0.00 H new ATOM 0 HG3 LYS A 41 23.404 18.148 2.078 1.00 0.00 H new ATOM 0 HD2 LYS A 41 24.942 18.551 4.663 1.00 0.00 H new ATOM 0 HD3 LYS A 41 25.527 17.870 3.158 1.00 0.00 H new ATOM 0 HE2 LYS A 41 24.932 20.206 2.127 1.00 0.00 H new ATOM 0 HE3 LYS A 41 24.886 20.762 3.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 27.065 21.088 2.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 27.161 19.969 4.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 27.206 19.430 2.478 1.00 0.00 H new ATOM 681 N GLN A 42 20.824 21.420 5.692 1.00 0.00 N ATOM 682 CA GLN A 42 20.133 22.688 5.891 1.00 0.00 C ATOM 683 C GLN A 42 19.710 23.293 4.557 1.00 0.00 C ATOM 684 O GLN A 42 20.351 24.214 4.050 1.00 0.00 O ATOM 685 CB GLN A 42 21.030 23.669 6.648 1.00 0.00 C ATOM 686 CG GLN A 42 20.711 23.765 8.131 1.00 0.00 C ATOM 687 CD GLN A 42 21.572 22.845 8.974 1.00 0.00 C ATOM 688 OE1 GLN A 42 21.966 21.713 8.402 1.00 0.00 O flip ATOM 689 NE2 GLN A 42 21.880 23.147 10.127 1.00 0.00 N flip ATOM 0 H GLN A 42 20.329 20.607 6.059 1.00 0.00 H new ATOM 0 HA GLN A 42 19.237 22.496 6.482 1.00 0.00 H new ATOM 0 HB2 GLN A 42 22.070 23.365 6.527 1.00 0.00 H new ATOM 0 HB3 GLN A 42 20.933 24.658 6.199 1.00 0.00 H new ATOM 0 HG2 GLN A 42 20.852 24.794 8.463 1.00 0.00 H new ATOM 0 HG3 GLN A 42 19.661 23.520 8.289 1.00 0.00 H new ATOM 0 HE21 GLN A 42 21.556 24.027 10.528 1.00 0.00 H new ATOM 0 HE22 GLN A 42 22.460 22.517 10.682 1.00 0.00 H new ATOM 698 N LEU A 43 18.627 22.770 3.992 1.00 0.00 N ATOM 699 CA LEU A 43 18.118 23.258 2.716 1.00 0.00 C ATOM 700 C LEU A 43 16.603 23.432 2.764 1.00 0.00 C ATOM 701 O LEU A 43 15.883 22.931 1.900 1.00 0.00 O ATOM 702 CB LEU A 43 18.497 22.294 1.590 1.00 0.00 C ATOM 703 CG LEU A 43 19.959 22.324 1.144 1.00 0.00 C ATOM 704 CD1 LEU A 43 20.839 21.600 2.151 1.00 0.00 C ATOM 705 CD2 LEU A 43 20.107 21.707 -0.239 1.00 0.00 C ATOM 0 H LEU A 43 18.085 22.008 4.398 1.00 0.00 H new ATOM 0 HA LEU A 43 18.571 24.230 2.521 1.00 0.00 H new ATOM 0 HB2 LEU A 43 18.257 21.280 1.910 1.00 0.00 H new ATOM 0 HB3 LEU A 43 17.870 22.512 0.726 1.00 0.00 H new ATOM 0 HG LEU A 43 20.282 23.364 1.092 1.00 0.00 H new ATOM 0 HD11 LEU A 43 21.876 21.632 1.817 1.00 0.00 H new ATOM 0 HD12 LEU A 43 20.756 22.086 3.123 1.00 0.00 H new ATOM 0 HD13 LEU A 43 20.517 20.562 2.236 1.00 0.00 H new ATOM 0 HD21 LEU A 43 21.154 21.737 -0.541 1.00 0.00 H new ATOM 0 HD22 LEU A 43 19.766 20.672 -0.214 1.00 0.00 H new ATOM 0 HD23 LEU A 43 19.507 22.270 -0.954 1.00 0.00 H new ATOM 717 N TYR A 44 16.127 24.145 3.778 1.00 0.00 N ATOM 718 CA TYR A 44 14.697 24.384 3.939 1.00 0.00 C ATOM 719 C TYR A 44 14.444 25.708 4.655 1.00 0.00 C ATOM 720 O TYR A 44 15.366 26.322 5.192 1.00 0.00 O ATOM 721 CB TYR A 44 14.052 23.238 4.720 1.00 0.00 C ATOM 722 CG TYR A 44 14.530 23.135 6.150 1.00 0.00 C ATOM 723 CD1 TYR A 44 15.722 22.491 6.460 1.00 0.00 C ATOM 724 CD2 TYR A 44 13.791 23.682 7.192 1.00 0.00 C ATOM 725 CE1 TYR A 44 16.162 22.393 7.766 1.00 0.00 C ATOM 726 CE2 TYR A 44 14.224 23.590 8.501 1.00 0.00 C ATOM 727 CZ TYR A 44 15.410 22.945 8.783 1.00 0.00 C ATOM 728 OH TYR A 44 15.846 22.851 10.084 1.00 0.00 O ATOM 0 H TYR A 44 16.710 24.568 4.501 1.00 0.00 H new ATOM 0 HA TYR A 44 14.249 24.436 2.947 1.00 0.00 H new ATOM 0 HB2 TYR A 44 12.970 23.371 4.716 1.00 0.00 H new ATOM 0 HB3 TYR A 44 14.260 22.298 4.208 1.00 0.00 H new ATOM 0 HD1 TYR A 44 16.314 22.060 5.667 1.00 0.00 H new ATOM 0 HD2 TYR A 44 12.862 24.188 6.975 1.00 0.00 H new ATOM 0 HE1 TYR A 44 17.090 21.887 7.990 1.00 0.00 H new ATOM 0 HE2 TYR A 44 13.637 24.021 9.299 1.00 0.00 H new ATOM 0 HH TYR A 44 16.249 23.702 10.356 1.00 0.00 H new ATOM 738 N ASP A 45 13.188 26.140 4.657 1.00 0.00 N ATOM 739 CA ASP A 45 12.811 27.390 5.308 1.00 0.00 C ATOM 740 C ASP A 45 12.732 27.213 6.821 1.00 0.00 C ATOM 741 O ASP A 45 11.872 26.492 7.326 1.00 0.00 O ATOM 742 CB ASP A 45 11.468 27.885 4.769 1.00 0.00 C ATOM 743 CG ASP A 45 11.464 29.378 4.506 1.00 0.00 C ATOM 744 OD1 ASP A 45 12.373 30.072 5.010 1.00 0.00 O ATOM 745 OD2 ASP A 45 10.553 29.853 3.797 1.00 0.00 O ATOM 0 H ASP A 45 12.414 25.644 4.216 1.00 0.00 H new ATOM 0 HA ASP A 45 13.578 28.132 5.087 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.233 27.356 3.845 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.682 27.643 5.484 1.00 0.00 H new ATOM 750 N GLN A 46 13.636 27.873 7.537 1.00 0.00 N ATOM 751 CA GLN A 46 13.669 27.787 8.992 1.00 0.00 C ATOM 752 C GLN A 46 12.330 28.200 9.593 1.00 0.00 C ATOM 753 O GLN A 46 12.038 27.896 10.749 1.00 0.00 O ATOM 754 CB GLN A 46 14.786 28.670 9.551 1.00 0.00 C ATOM 755 CG GLN A 46 16.126 27.959 9.662 1.00 0.00 C ATOM 756 CD GLN A 46 16.280 26.844 8.646 1.00 0.00 C ATOM 757 OE1 GLN A 46 16.406 25.674 9.007 1.00 0.00 O ATOM 758 NE2 GLN A 46 16.271 27.202 7.368 1.00 0.00 N ATOM 0 H GLN A 46 14.355 28.473 7.133 1.00 0.00 H new ATOM 0 HA GLN A 46 13.864 26.750 9.265 1.00 0.00 H new ATOM 0 HB2 GLN A 46 14.900 29.545 8.911 1.00 0.00 H new ATOM 0 HB3 GLN A 46 14.493 29.032 10.537 1.00 0.00 H new ATOM 0 HG2 GLN A 46 16.930 28.683 9.526 1.00 0.00 H new ATOM 0 HG3 GLN A 46 16.233 27.548 10.666 1.00 0.00 H new ATOM 0 HE21 GLN A 46 16.164 28.184 7.114 1.00 0.00 H new ATOM 0 HE22 GLN A 46 16.371 26.495 6.640 1.00 0.00 H new ATOM 767 N GLN A 47 11.520 28.894 8.800 1.00 0.00 N ATOM 768 CA GLN A 47 10.212 29.350 9.254 1.00 0.00 C ATOM 769 C GLN A 47 9.153 28.274 9.033 1.00 0.00 C ATOM 770 O GLN A 47 8.184 28.180 9.785 1.00 0.00 O ATOM 771 CB GLN A 47 9.813 30.633 8.524 1.00 0.00 C ATOM 772 CG GLN A 47 10.998 31.474 8.078 1.00 0.00 C ATOM 773 CD GLN A 47 12.026 31.661 9.177 1.00 0.00 C ATOM 774 OE1 GLN A 47 13.192 31.048 9.008 1.00 0.00 O flip ATOM 775 NE2 GLN A 47 11.776 32.349 10.167 1.00 0.00 N flip ATOM 0 H GLN A 47 11.747 29.153 7.840 1.00 0.00 H new ATOM 0 HA GLN A 47 10.278 29.555 10.323 1.00 0.00 H new ATOM 0 HB2 GLN A 47 9.214 30.373 7.651 1.00 0.00 H new ATOM 0 HB3 GLN A 47 9.180 31.231 9.179 1.00 0.00 H new ATOM 0 HG2 GLN A 47 11.472 31.000 7.219 1.00 0.00 H new ATOM 0 HG3 GLN A 47 10.643 32.450 7.748 1.00 0.00 H new ATOM 0 HE21 GLN A 47 10.867 32.802 10.257 1.00 0.00 H new ATOM 0 HE22 GLN A 47 12.478 32.466 10.898 1.00 0.00 H new ATOM 784 N GLU A 48 9.346 27.466 7.995 1.00 0.00 N ATOM 785 CA GLU A 48 8.407 26.398 7.674 1.00 0.00 C ATOM 786 C GLU A 48 9.147 25.116 7.302 1.00 0.00 C ATOM 787 O GLU A 48 9.518 24.916 6.146 1.00 0.00 O ATOM 788 CB GLU A 48 7.490 26.823 6.525 1.00 0.00 C ATOM 789 CG GLU A 48 6.520 27.931 6.898 1.00 0.00 C ATOM 790 CD GLU A 48 5.619 28.330 5.746 1.00 0.00 C ATOM 791 OE1 GLU A 48 5.626 27.624 4.716 1.00 0.00 O ATOM 792 OE2 GLU A 48 4.907 29.348 5.874 1.00 0.00 O ATOM 0 H GLU A 48 10.144 27.531 7.363 1.00 0.00 H new ATOM 0 HA GLU A 48 7.802 26.203 8.559 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.102 27.155 5.686 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.924 25.956 6.183 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.907 27.604 7.738 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.082 28.803 7.234 1.00 0.00 H new ATOM 799 N GLN A 49 9.357 24.253 8.291 1.00 0.00 N ATOM 800 CA GLN A 49 10.053 22.991 8.067 1.00 0.00 C ATOM 801 C GLN A 49 9.361 22.172 6.984 1.00 0.00 C ATOM 802 O GLN A 49 9.943 21.240 6.428 1.00 0.00 O ATOM 803 CB GLN A 49 10.123 22.186 9.366 1.00 0.00 C ATOM 804 CG GLN A 49 11.097 22.757 10.384 1.00 0.00 C ATOM 805 CD GLN A 49 10.413 23.617 11.428 1.00 0.00 C ATOM 806 OE1 GLN A 49 9.502 23.165 12.121 1.00 0.00 O ATOM 807 NE2 GLN A 49 10.851 24.865 11.546 1.00 0.00 N ATOM 0 H GLN A 49 9.056 24.404 9.254 1.00 0.00 H new ATOM 0 HA GLN A 49 11.065 23.218 7.733 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.129 22.143 9.811 1.00 0.00 H new ATOM 0 HB3 GLN A 49 10.413 21.161 9.133 1.00 0.00 H new ATOM 0 HG2 GLN A 49 11.620 21.939 10.879 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.851 23.351 9.867 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.609 25.198 10.950 1.00 0.00 H new ATOM 0 HE22 GLN A 49 10.429 25.491 12.232 1.00 0.00 H new ATOM 816 N HIS A 50 8.113 22.524 6.688 1.00 0.00 N ATOM 817 CA HIS A 50 7.341 21.821 5.670 1.00 0.00 C ATOM 818 C HIS A 50 7.645 22.372 4.280 1.00 0.00 C ATOM 819 O HIS A 50 6.950 22.061 3.313 1.00 0.00 O ATOM 820 CB HIS A 50 5.845 21.939 5.963 1.00 0.00 C ATOM 821 CG HIS A 50 5.359 23.354 6.035 1.00 0.00 C ATOM 822 ND1 HIS A 50 5.220 24.042 7.222 1.00 0.00 N ATOM 823 CD2 HIS A 50 4.980 24.211 5.058 1.00 0.00 C ATOM 824 CE1 HIS A 50 4.775 25.260 6.972 1.00 0.00 C ATOM 825 NE2 HIS A 50 4.621 25.389 5.667 1.00 0.00 N ATOM 0 H HIS A 50 7.615 23.292 7.139 1.00 0.00 H new ATOM 0 HA HIS A 50 7.626 20.769 5.694 1.00 0.00 H new ATOM 0 HB2 HIS A 50 5.289 21.411 5.188 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.628 21.440 6.907 1.00 0.00 H new ATOM 0 HD2 HIS A 50 4.963 24.007 3.998 1.00 0.00 H new ATOM 0 HE1 HIS A 50 4.571 26.022 7.710 1.00 0.00 H new ATOM 0 HE2 HIS A 50 4.289 26.227 5.189 1.00 0.00 H new ATOM 833 N MET A 51 8.687 23.192 4.189 1.00 0.00 N ATOM 834 CA MET A 51 9.082 23.786 2.917 1.00 0.00 C ATOM 835 C MET A 51 10.573 23.590 2.666 1.00 0.00 C ATOM 836 O MET A 51 11.412 24.159 3.365 1.00 0.00 O ATOM 837 CB MET A 51 8.742 25.278 2.899 1.00 0.00 C ATOM 838 CG MET A 51 7.531 25.615 2.045 1.00 0.00 C ATOM 839 SD MET A 51 7.980 26.348 0.460 1.00 0.00 S ATOM 840 CE MET A 51 9.245 25.207 -0.094 1.00 0.00 C ATOM 0 H MET A 51 9.272 23.460 4.980 1.00 0.00 H new ATOM 0 HA MET A 51 8.529 23.285 2.123 1.00 0.00 H new ATOM 0 HB2 MET A 51 8.561 25.613 3.920 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.603 25.834 2.529 1.00 0.00 H new ATOM 0 HG2 MET A 51 6.951 24.709 1.870 1.00 0.00 H new ATOM 0 HG3 MET A 51 6.887 26.305 2.591 1.00 0.00 H new ATOM 0 HE1 MET A 51 9.421 25.348 -1.160 1.00 0.00 H new ATOM 0 HE2 MET A 51 10.169 25.394 0.454 1.00 0.00 H new ATOM 0 HE3 MET A 51 8.916 24.184 0.087 1.00 0.00 H new ATOM 850 N VAL A 52 10.898 22.780 1.662 1.00 0.00 N ATOM 851 CA VAL A 52 12.289 22.509 1.318 1.00 0.00 C ATOM 852 C VAL A 52 12.762 23.416 0.187 1.00 0.00 C ATOM 853 O VAL A 52 12.055 23.612 -0.801 1.00 0.00 O ATOM 854 CB VAL A 52 12.488 21.040 0.901 1.00 0.00 C ATOM 855 CG1 VAL A 52 13.863 20.842 0.282 1.00 0.00 C ATOM 856 CG2 VAL A 52 12.293 20.116 2.094 1.00 0.00 C ATOM 0 H VAL A 52 10.217 22.301 1.073 1.00 0.00 H new ATOM 0 HA VAL A 52 12.881 22.708 2.211 1.00 0.00 H new ATOM 0 HB VAL A 52 11.739 20.789 0.150 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.985 19.798 -0.006 1.00 0.00 H new ATOM 0 HG12 VAL A 52 13.960 21.476 -0.600 1.00 0.00 H new ATOM 0 HG13 VAL A 52 14.631 21.110 1.008 1.00 0.00 H new ATOM 0 HG21 VAL A 52 12.437 19.082 1.781 1.00 0.00 H new ATOM 0 HG22 VAL A 52 13.018 20.365 2.869 1.00 0.00 H new ATOM 0 HG23 VAL A 52 11.284 20.238 2.488 1.00 0.00 H new ATOM 866 N TYR A 53 13.962 23.965 0.340 1.00 0.00 N ATOM 867 CA TYR A 53 14.529 24.853 -0.668 1.00 0.00 C ATOM 868 C TYR A 53 15.802 24.258 -1.263 1.00 0.00 C ATOM 869 O TYR A 53 16.880 24.848 -1.167 1.00 0.00 O ATOM 870 CB TYR A 53 14.829 26.223 -0.059 1.00 0.00 C ATOM 871 CG TYR A 53 13.629 27.142 -0.014 1.00 0.00 C ATOM 872 CD1 TYR A 53 12.919 27.447 -1.169 1.00 0.00 C ATOM 873 CD2 TYR A 53 13.204 27.704 1.183 1.00 0.00 C ATOM 874 CE1 TYR A 53 11.822 28.286 -1.133 1.00 0.00 C ATOM 875 CE2 TYR A 53 12.107 28.543 1.229 1.00 0.00 C ATOM 876 CZ TYR A 53 11.420 28.831 0.068 1.00 0.00 C ATOM 877 OH TYR A 53 10.328 29.667 0.110 1.00 0.00 O ATOM 0 H TYR A 53 14.560 23.811 1.152 1.00 0.00 H new ATOM 0 HA TYR A 53 13.797 24.970 -1.467 1.00 0.00 H new ATOM 0 HB2 TYR A 53 15.209 26.086 0.953 1.00 0.00 H new ATOM 0 HB3 TYR A 53 15.621 26.702 -0.635 1.00 0.00 H new ATOM 0 HD1 TYR A 53 13.230 27.021 -2.111 1.00 0.00 H new ATOM 0 HD2 TYR A 53 13.740 27.481 2.094 1.00 0.00 H new ATOM 0 HE1 TYR A 53 11.282 28.514 -2.040 1.00 0.00 H new ATOM 0 HE2 TYR A 53 11.789 28.971 2.168 1.00 0.00 H new ATOM 0 HH TYR A 53 10.178 29.964 1.032 1.00 0.00 H new ATOM 887 N CYS A 54 15.670 23.088 -1.878 1.00 0.00 N ATOM 888 CA CYS A 54 16.809 22.412 -2.489 1.00 0.00 C ATOM 889 C CYS A 54 17.641 23.388 -3.315 1.00 0.00 C ATOM 890 O CYS A 54 18.866 23.286 -3.366 1.00 0.00 O ATOM 891 CB CYS A 54 16.330 21.258 -3.371 1.00 0.00 C ATOM 892 SG CYS A 54 14.949 20.321 -2.675 1.00 0.00 S ATOM 0 H CYS A 54 14.786 22.588 -1.967 1.00 0.00 H new ATOM 0 HA CYS A 54 17.435 22.014 -1.691 1.00 0.00 H new ATOM 0 HB2 CYS A 54 16.033 21.656 -4.341 1.00 0.00 H new ATOM 0 HB3 CYS A 54 17.164 20.579 -3.547 1.00 0.00 H new ATOM 0 HG CYS A 54 14.143 19.963 -3.630 1.00 0.00 H new ATOM 898 N GLY A 55 16.966 24.334 -3.962 1.00 0.00 N ATOM 899 CA GLY A 55 17.659 25.313 -4.778 1.00 0.00 C ATOM 900 C GLY A 55 18.403 24.680 -5.937 1.00 0.00 C ATOM 901 O GLY A 55 17.954 24.743 -7.081 1.00 0.00 O ATOM 0 H GLY A 55 15.952 24.439 -3.935 1.00 0.00 H new ATOM 0 HA2 GLY A 55 16.939 26.035 -5.163 1.00 0.00 H new ATOM 0 HA3 GLY A 55 18.364 25.866 -4.157 1.00 0.00 H new ATOM 905 N GLY A 56 19.546 24.068 -5.642 1.00 0.00 N ATOM 906 CA GLY A 56 20.336 23.431 -6.679 1.00 0.00 C ATOM 907 C GLY A 56 21.233 22.337 -6.135 1.00 0.00 C ATOM 908 O GLY A 56 22.214 21.954 -6.773 1.00 0.00 O ATOM 0 H GLY A 56 19.939 24.002 -4.703 1.00 0.00 H new ATOM 0 HA2 GLY A 56 19.670 23.009 -7.432 1.00 0.00 H new ATOM 0 HA3 GLY A 56 20.947 24.182 -7.179 1.00 0.00 H new ATOM 912 N ASP A 57 20.900 21.834 -4.951 1.00 0.00 N ATOM 913 CA ASP A 57 21.683 20.779 -4.320 1.00 0.00 C ATOM 914 C ASP A 57 21.351 19.419 -4.928 1.00 0.00 C ATOM 915 O ASP A 57 20.487 19.310 -5.798 1.00 0.00 O ATOM 916 CB ASP A 57 21.425 20.754 -2.813 1.00 0.00 C ATOM 917 CG ASP A 57 22.619 21.239 -2.014 1.00 0.00 C ATOM 918 OD1 ASP A 57 23.095 22.362 -2.282 1.00 0.00 O ATOM 919 OD2 ASP A 57 23.077 20.497 -1.120 1.00 0.00 O ATOM 0 H ASP A 57 20.092 22.141 -4.409 1.00 0.00 H new ATOM 0 HA ASP A 57 22.738 20.989 -4.496 1.00 0.00 H new ATOM 0 HB2 ASP A 57 20.561 21.378 -2.585 1.00 0.00 H new ATOM 0 HB3 ASP A 57 21.175 19.738 -2.507 1.00 0.00 H new ATOM 924 N LEU A 58 22.044 18.385 -4.464 1.00 0.00 N ATOM 925 CA LEU A 58 21.824 17.031 -4.962 1.00 0.00 C ATOM 926 C LEU A 58 20.334 16.710 -5.024 1.00 0.00 C ATOM 927 O LEU A 58 19.810 16.344 -6.077 1.00 0.00 O ATOM 928 CB LEU A 58 22.539 16.016 -4.070 1.00 0.00 C ATOM 929 CG LEU A 58 24.026 16.273 -3.818 1.00 0.00 C ATOM 930 CD1 LEU A 58 24.642 17.026 -4.987 1.00 0.00 C ATOM 931 CD2 LEU A 58 24.221 17.045 -2.521 1.00 0.00 C ATOM 0 H LEU A 58 22.763 18.458 -3.744 1.00 0.00 H new ATOM 0 HA LEU A 58 22.233 16.970 -5.971 1.00 0.00 H new ATOM 0 HB2 LEU A 58 22.028 15.985 -3.108 1.00 0.00 H new ATOM 0 HB3 LEU A 58 22.433 15.029 -4.520 1.00 0.00 H new ATOM 0 HG LEU A 58 24.531 15.312 -3.725 1.00 0.00 H new ATOM 0 HD11 LEU A 58 25.700 17.200 -4.791 1.00 0.00 H new ATOM 0 HD12 LEU A 58 24.534 16.436 -5.897 1.00 0.00 H new ATOM 0 HD13 LEU A 58 24.134 17.982 -5.112 1.00 0.00 H new ATOM 0 HD21 LEU A 58 25.285 17.219 -2.358 1.00 0.00 H new ATOM 0 HD22 LEU A 58 23.703 18.002 -2.586 1.00 0.00 H new ATOM 0 HD23 LEU A 58 23.816 16.468 -1.690 1.00 0.00 H new ATOM 943 N LEU A 59 19.656 16.850 -3.890 1.00 0.00 N ATOM 944 CA LEU A 59 18.225 16.576 -3.816 1.00 0.00 C ATOM 945 C LEU A 59 17.447 17.485 -4.761 1.00 0.00 C ATOM 946 O LEU A 59 16.469 17.065 -5.378 1.00 0.00 O ATOM 947 CB LEU A 59 17.724 16.764 -2.382 1.00 0.00 C ATOM 948 CG LEU A 59 17.444 18.204 -1.952 1.00 0.00 C ATOM 949 CD1 LEU A 59 16.486 18.232 -0.771 1.00 0.00 C ATOM 950 CD2 LEU A 59 18.742 18.919 -1.606 1.00 0.00 C ATOM 0 H LEU A 59 20.074 17.151 -3.010 1.00 0.00 H new ATOM 0 HA LEU A 59 18.062 15.542 -4.120 1.00 0.00 H new ATOM 0 HB2 LEU A 59 16.809 16.185 -2.259 1.00 0.00 H new ATOM 0 HB3 LEU A 59 18.463 16.340 -1.702 1.00 0.00 H new ATOM 0 HG LEU A 59 16.975 18.727 -2.785 1.00 0.00 H new ATOM 0 HD11 LEU A 59 16.299 19.265 -0.479 1.00 0.00 H new ATOM 0 HD12 LEU A 59 15.546 17.759 -1.054 1.00 0.00 H new ATOM 0 HD13 LEU A 59 16.926 17.692 0.067 1.00 0.00 H new ATOM 0 HD21 LEU A 59 18.524 19.943 -1.302 1.00 0.00 H new ATOM 0 HD22 LEU A 59 19.239 18.396 -0.789 1.00 0.00 H new ATOM 0 HD23 LEU A 59 19.395 18.931 -2.479 1.00 0.00 H new ATOM 962 N GLY A 60 17.890 18.734 -4.871 1.00 0.00 N ATOM 963 CA GLY A 60 17.224 19.683 -5.746 1.00 0.00 C ATOM 964 C GLY A 60 17.281 19.267 -7.202 1.00 0.00 C ATOM 965 O GLY A 60 16.249 19.161 -7.864 1.00 0.00 O ATOM 0 H GLY A 60 18.697 19.106 -4.371 1.00 0.00 H new ATOM 0 HA2 GLY A 60 16.183 19.785 -5.441 1.00 0.00 H new ATOM 0 HA3 GLY A 60 17.687 20.663 -5.633 1.00 0.00 H new ATOM 969 N GLU A 61 18.490 19.034 -7.703 1.00 0.00 N ATOM 970 CA GLU A 61 18.676 18.630 -9.092 1.00 0.00 C ATOM 971 C GLU A 61 17.908 17.346 -9.393 1.00 0.00 C ATOM 972 O GLU A 61 17.185 17.261 -10.386 1.00 0.00 O ATOM 973 CB GLU A 61 20.163 18.430 -9.393 1.00 0.00 C ATOM 974 CG GLU A 61 20.859 17.489 -8.425 1.00 0.00 C ATOM 975 CD GLU A 61 22.355 17.408 -8.663 1.00 0.00 C ATOM 976 OE1 GLU A 61 22.869 18.203 -9.477 1.00 0.00 O ATOM 977 OE2 GLU A 61 23.010 16.550 -8.037 1.00 0.00 O ATOM 0 H GLU A 61 19.355 19.118 -7.168 1.00 0.00 H new ATOM 0 HA GLU A 61 18.287 19.424 -9.730 1.00 0.00 H new ATOM 0 HB2 GLU A 61 20.271 18.041 -10.405 1.00 0.00 H new ATOM 0 HB3 GLU A 61 20.663 19.398 -9.368 1.00 0.00 H new ATOM 0 HG2 GLU A 61 20.675 17.823 -7.404 1.00 0.00 H new ATOM 0 HG3 GLU A 61 20.426 16.493 -8.518 1.00 0.00 H new ATOM 984 N LEU A 62 18.070 16.351 -8.529 1.00 0.00 N ATOM 985 CA LEU A 62 17.393 15.070 -8.701 1.00 0.00 C ATOM 986 C LEU A 62 15.884 15.263 -8.812 1.00 0.00 C ATOM 987 O LEU A 62 15.255 14.795 -9.763 1.00 0.00 O ATOM 988 CB LEU A 62 17.715 14.139 -7.531 1.00 0.00 C ATOM 989 CG LEU A 62 16.725 12.999 -7.289 1.00 0.00 C ATOM 990 CD1 LEU A 62 16.471 12.230 -8.576 1.00 0.00 C ATOM 991 CD2 LEU A 62 17.241 12.067 -6.202 1.00 0.00 C ATOM 0 H LEU A 62 18.664 16.406 -7.702 1.00 0.00 H new ATOM 0 HA LEU A 62 17.752 14.618 -9.626 1.00 0.00 H new ATOM 0 HB2 LEU A 62 18.702 13.707 -7.697 1.00 0.00 H new ATOM 0 HB3 LEU A 62 17.778 14.738 -6.623 1.00 0.00 H new ATOM 0 HG LEU A 62 15.781 13.428 -6.954 1.00 0.00 H new ATOM 0 HD11 LEU A 62 15.764 11.423 -8.384 1.00 0.00 H new ATOM 0 HD12 LEU A 62 16.058 12.904 -9.327 1.00 0.00 H new ATOM 0 HD13 LEU A 62 17.409 11.812 -8.941 1.00 0.00 H new ATOM 0 HD21 LEU A 62 16.524 11.262 -6.043 1.00 0.00 H new ATOM 0 HD22 LEU A 62 18.198 11.645 -6.509 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.371 12.626 -5.275 1.00 0.00 H new ATOM 1003 N LEU A 63 15.308 15.956 -7.836 1.00 0.00 N ATOM 1004 CA LEU A 63 13.872 16.213 -7.824 1.00 0.00 C ATOM 1005 C LEU A 63 13.437 16.931 -9.098 1.00 0.00 C ATOM 1006 O LEU A 63 12.373 16.650 -9.649 1.00 0.00 O ATOM 1007 CB LEU A 63 13.493 17.049 -6.600 1.00 0.00 C ATOM 1008 CG LEU A 63 12.870 16.284 -5.432 1.00 0.00 C ATOM 1009 CD1 LEU A 63 11.352 16.326 -5.515 1.00 0.00 C ATOM 1010 CD2 LEU A 63 13.365 14.845 -5.413 1.00 0.00 C ATOM 0 H LEU A 63 15.813 16.350 -7.042 1.00 0.00 H new ATOM 0 HA LEU A 63 13.357 15.254 -7.775 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.388 17.556 -6.240 1.00 0.00 H new ATOM 0 HB3 LEU A 63 12.793 17.823 -6.916 1.00 0.00 H new ATOM 0 HG LEU A 63 13.176 16.765 -4.503 1.00 0.00 H new ATOM 0 HD11 LEU A 63 10.926 15.776 -4.675 1.00 0.00 H new ATOM 0 HD12 LEU A 63 11.014 17.362 -5.479 1.00 0.00 H new ATOM 0 HD13 LEU A 63 11.026 15.870 -6.450 1.00 0.00 H new ATOM 0 HD21 LEU A 63 12.911 14.315 -4.575 1.00 0.00 H new ATOM 0 HD22 LEU A 63 13.089 14.353 -6.346 1.00 0.00 H new ATOM 0 HD23 LEU A 63 14.450 14.835 -5.304 1.00 0.00 H new ATOM 1022 N GLY A 64 14.269 17.858 -9.563 1.00 0.00 N ATOM 1023 CA GLY A 64 13.955 18.600 -10.770 1.00 0.00 C ATOM 1024 C GLY A 64 13.241 19.905 -10.478 1.00 0.00 C ATOM 1025 O GLY A 64 13.181 20.791 -11.331 1.00 0.00 O ATOM 0 H GLY A 64 15.155 18.108 -9.125 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.876 18.807 -11.316 1.00 0.00 H new ATOM 0 HA3 GLY A 64 13.331 17.985 -11.419 1.00 0.00 H new ATOM 1029 N ARG A 65 12.698 20.024 -9.271 1.00 0.00 N ATOM 1030 CA ARG A 65 11.982 21.229 -8.871 1.00 0.00 C ATOM 1031 C ARG A 65 12.850 22.103 -7.970 1.00 0.00 C ATOM 1032 O ARG A 65 13.381 21.637 -6.963 1.00 0.00 O ATOM 1033 CB ARG A 65 10.686 20.862 -8.147 1.00 0.00 C ATOM 1034 CG ARG A 65 10.010 19.618 -8.700 1.00 0.00 C ATOM 1035 CD ARG A 65 9.902 19.671 -10.216 1.00 0.00 C ATOM 1036 NE ARG A 65 9.523 18.379 -10.783 1.00 0.00 N ATOM 1037 CZ ARG A 65 8.272 17.936 -10.828 1.00 0.00 C ATOM 1038 NH1 ARG A 65 7.285 18.676 -10.342 1.00 0.00 N ATOM 1039 NH2 ARG A 65 8.006 16.750 -11.360 1.00 0.00 N ATOM 0 H ARG A 65 12.740 19.301 -8.553 1.00 0.00 H new ATOM 0 HA ARG A 65 11.740 21.793 -9.772 1.00 0.00 H new ATOM 0 HB2 ARG A 65 10.902 20.708 -7.090 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.993 21.701 -8.212 1.00 0.00 H new ATOM 0 HG2 ARG A 65 10.575 18.734 -8.405 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.015 19.520 -8.266 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.165 20.422 -10.501 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.857 19.985 -10.637 1.00 0.00 H new ATOM 0 HE ARG A 65 10.259 17.785 -11.165 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.486 19.588 -9.932 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.325 18.333 -10.378 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.763 16.178 -11.735 1.00 0.00 H new ATOM 0 HH22 ARG A 65 7.045 16.410 -11.394 1.00 0.00 H new ATOM 1053 N GLN A 66 12.990 23.372 -8.342 1.00 0.00 N ATOM 1054 CA GLN A 66 13.795 24.310 -7.568 1.00 0.00 C ATOM 1055 C GLN A 66 13.546 24.136 -6.074 1.00 0.00 C ATOM 1056 O GLN A 66 14.462 24.270 -5.263 1.00 0.00 O ATOM 1057 CB GLN A 66 13.482 25.748 -7.986 1.00 0.00 C ATOM 1058 CG GLN A 66 13.511 25.965 -9.490 1.00 0.00 C ATOM 1059 CD GLN A 66 12.123 26.076 -10.091 1.00 0.00 C ATOM 1060 OE1 GLN A 66 11.652 25.161 -10.767 1.00 0.00 O ATOM 1061 NE2 GLN A 66 11.460 27.200 -9.846 1.00 0.00 N ATOM 0 H GLN A 66 12.557 23.774 -9.174 1.00 0.00 H new ATOM 0 HA GLN A 66 14.846 24.101 -7.769 1.00 0.00 H new ATOM 0 HB2 GLN A 66 12.497 26.021 -7.607 1.00 0.00 H new ATOM 0 HB3 GLN A 66 14.202 26.419 -7.517 1.00 0.00 H new ATOM 0 HG2 GLN A 66 14.072 26.873 -9.711 1.00 0.00 H new ATOM 0 HG3 GLN A 66 14.042 25.139 -9.962 1.00 0.00 H new ATOM 0 HE21 GLN A 66 11.889 27.932 -9.280 1.00 0.00 H new ATOM 0 HE22 GLN A 66 10.522 27.331 -10.223 1.00 0.00 H new ATOM 1070 N SER A 67 12.301 23.837 -5.716 1.00 0.00 N ATOM 1071 CA SER A 67 11.932 23.649 -4.318 1.00 0.00 C ATOM 1072 C SER A 67 10.665 22.807 -4.200 1.00 0.00 C ATOM 1073 O SER A 67 9.819 22.807 -5.095 1.00 0.00 O ATOM 1074 CB SER A 67 11.723 25.003 -3.638 1.00 0.00 C ATOM 1075 OG SER A 67 11.580 26.038 -4.595 1.00 0.00 O ATOM 0 H SER A 67 11.531 23.720 -6.375 1.00 0.00 H new ATOM 0 HA SER A 67 12.746 23.122 -3.820 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.836 24.963 -3.006 1.00 0.00 H new ATOM 0 HB3 SER A 67 12.569 25.221 -2.986 1.00 0.00 H new ATOM 0 HG SER A 67 11.446 26.893 -4.135 1.00 0.00 H new ATOM 1081 N PHE A 68 10.541 22.089 -3.089 1.00 0.00 N ATOM 1082 CA PHE A 68 9.379 21.240 -2.852 1.00 0.00 C ATOM 1083 C PHE A 68 8.968 21.279 -1.383 1.00 0.00 C ATOM 1084 O PHE A 68 9.787 21.548 -0.505 1.00 0.00 O ATOM 1085 CB PHE A 68 9.679 19.800 -3.272 1.00 0.00 C ATOM 1086 CG PHE A 68 10.708 19.126 -2.410 1.00 0.00 C ATOM 1087 CD1 PHE A 68 10.421 18.798 -1.095 1.00 0.00 C ATOM 1088 CD2 PHE A 68 11.961 18.821 -2.915 1.00 0.00 C ATOM 1089 CE1 PHE A 68 11.366 18.177 -0.299 1.00 0.00 C ATOM 1090 CE2 PHE A 68 12.909 18.200 -2.124 1.00 0.00 C ATOM 1091 CZ PHE A 68 12.612 17.879 -0.814 1.00 0.00 C ATOM 0 H PHE A 68 11.231 22.078 -2.338 1.00 0.00 H new ATOM 0 HA PHE A 68 8.553 21.621 -3.452 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.756 19.221 -3.242 1.00 0.00 H new ATOM 0 HB3 PHE A 68 10.024 19.796 -4.306 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.448 19.030 -0.687 1.00 0.00 H new ATOM 0 HD2 PHE A 68 12.200 19.071 -3.938 1.00 0.00 H new ATOM 0 HE1 PHE A 68 11.130 17.925 0.724 1.00 0.00 H new ATOM 0 HE2 PHE A 68 13.882 17.966 -2.530 1.00 0.00 H new ATOM 0 HZ PHE A 68 13.353 17.396 -0.194 1.00 0.00 H new ATOM 1101 N SER A 69 7.693 21.007 -1.125 1.00 0.00 N ATOM 1102 CA SER A 69 7.170 21.015 0.237 1.00 0.00 C ATOM 1103 C SER A 69 7.128 19.602 0.810 1.00 0.00 C ATOM 1104 O SER A 69 6.790 18.646 0.113 1.00 0.00 O ATOM 1105 CB SER A 69 5.770 21.631 0.265 1.00 0.00 C ATOM 1106 OG SER A 69 5.814 23.012 -0.048 1.00 0.00 O ATOM 0 H SER A 69 7.003 20.778 -1.841 1.00 0.00 H new ATOM 0 HA SER A 69 7.837 21.619 0.853 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.127 21.114 -0.448 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.328 21.492 1.252 1.00 0.00 H new ATOM 0 HG SER A 69 4.907 23.382 -0.025 1.00 0.00 H new ATOM 1112 N VAL A 70 7.475 19.478 2.088 1.00 0.00 N ATOM 1113 CA VAL A 70 7.477 18.183 2.757 1.00 0.00 C ATOM 1114 C VAL A 70 6.056 17.705 3.033 1.00 0.00 C ATOM 1115 O VAL A 70 5.771 16.508 2.990 1.00 0.00 O ATOM 1116 CB VAL A 70 8.255 18.239 4.085 1.00 0.00 C ATOM 1117 CG1 VAL A 70 9.310 19.333 4.040 1.00 0.00 C ATOM 1118 CG2 VAL A 70 7.303 18.452 5.252 1.00 0.00 C ATOM 0 H VAL A 70 7.758 20.259 2.680 1.00 0.00 H new ATOM 0 HA VAL A 70 7.970 17.480 2.085 1.00 0.00 H new ATOM 0 HB VAL A 70 8.762 17.285 4.229 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.849 19.357 4.987 1.00 0.00 H new ATOM 0 HG12 VAL A 70 10.010 19.131 3.229 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.828 20.296 3.872 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.870 18.489 6.182 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.766 19.391 5.117 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.590 17.629 5.295 1.00 0.00 H new ATOM 1128 N LYS A 71 5.165 18.649 3.317 1.00 0.00 N ATOM 1129 CA LYS A 71 3.771 18.327 3.599 1.00 0.00 C ATOM 1130 C LYS A 71 3.020 17.990 2.315 1.00 0.00 C ATOM 1131 O LYS A 71 1.829 17.679 2.344 1.00 0.00 O ATOM 1132 CB LYS A 71 3.089 19.498 4.309 1.00 0.00 C ATOM 1133 CG LYS A 71 2.145 19.071 5.420 1.00 0.00 C ATOM 1134 CD LYS A 71 1.715 20.253 6.272 1.00 0.00 C ATOM 1135 CE LYS A 71 2.683 20.494 7.420 1.00 0.00 C ATOM 1136 NZ LYS A 71 2.041 21.234 8.541 1.00 0.00 N ATOM 0 H LYS A 71 5.384 19.644 3.358 1.00 0.00 H new ATOM 0 HA LYS A 71 3.751 17.454 4.251 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.853 20.154 4.726 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.533 20.082 3.576 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.265 18.594 4.988 1.00 0.00 H new ATOM 0 HG3 LYS A 71 2.635 18.327 6.049 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.655 21.147 5.652 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.716 20.073 6.669 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.059 19.538 7.784 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.543 21.058 7.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.692 21.966 8.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.165 21.682 8.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.817 20.572 9.311 1.00 0.00 H new ATOM 1150 N ASP A 72 3.724 18.051 1.190 1.00 0.00 N ATOM 1151 CA ASP A 72 3.124 17.750 -0.105 1.00 0.00 C ATOM 1152 C ASP A 72 3.936 16.693 -0.847 1.00 0.00 C ATOM 1153 O ASP A 72 4.837 17.002 -1.628 1.00 0.00 O ATOM 1154 CB ASP A 72 3.022 19.020 -0.951 1.00 0.00 C ATOM 1155 CG ASP A 72 2.677 18.725 -2.398 1.00 0.00 C ATOM 1156 OD1 ASP A 72 2.030 17.688 -2.653 1.00 0.00 O ATOM 1157 OD2 ASP A 72 3.054 19.530 -3.274 1.00 0.00 O ATOM 0 H ASP A 72 4.711 18.306 1.148 1.00 0.00 H new ATOM 0 HA ASP A 72 2.122 17.357 0.068 1.00 0.00 H new ATOM 0 HB2 ASP A 72 2.263 19.676 -0.526 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.969 19.558 -0.909 1.00 0.00 H new ATOM 1162 N PRO A 73 3.613 15.415 -0.598 1.00 0.00 N ATOM 1163 CA PRO A 73 4.301 14.287 -1.232 1.00 0.00 C ATOM 1164 C PRO A 73 3.987 14.178 -2.720 1.00 0.00 C ATOM 1165 O PRO A 73 3.551 13.131 -3.198 1.00 0.00 O ATOM 1166 CB PRO A 73 3.754 13.070 -0.480 1.00 0.00 C ATOM 1167 CG PRO A 73 2.422 13.505 0.026 1.00 0.00 C ATOM 1168 CD PRO A 73 2.551 14.974 0.322 1.00 0.00 C ATOM 0 HA PRO A 73 5.385 14.388 -1.177 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.665 12.205 -1.138 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.413 12.781 0.338 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.644 13.323 -0.716 1.00 0.00 H new ATOM 0 HG3 PRO A 73 2.144 12.949 0.922 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.616 15.504 0.140 1.00 0.00 H new ATOM 0 HD3 PRO A 73 2.821 15.152 1.363 1.00 0.00 H new ATOM 1176 N SER A 74 4.211 15.268 -3.448 1.00 0.00 N ATOM 1177 CA SER A 74 3.948 15.296 -4.882 1.00 0.00 C ATOM 1178 C SER A 74 5.224 15.024 -5.673 1.00 0.00 C ATOM 1179 O SER A 74 5.376 13.985 -6.317 1.00 0.00 O ATOM 1180 CB SER A 74 3.362 16.649 -5.288 1.00 0.00 C ATOM 1181 OG SER A 74 3.776 17.014 -6.593 1.00 0.00 O ATOM 0 H SER A 74 4.574 16.142 -3.068 1.00 0.00 H new ATOM 0 HA SER A 74 3.225 14.512 -5.110 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.274 16.604 -5.248 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.676 17.413 -4.577 1.00 0.00 H new ATOM 0 HG SER A 74 3.386 17.882 -6.829 1.00 0.00 H new ATOM 1187 N PRO A 75 6.164 15.979 -5.625 1.00 0.00 N ATOM 1188 CA PRO A 75 7.444 15.866 -6.331 1.00 0.00 C ATOM 1189 C PRO A 75 8.352 14.805 -5.719 1.00 0.00 C ATOM 1190 O PRO A 75 9.281 14.320 -6.366 1.00 0.00 O ATOM 1191 CB PRO A 75 8.062 17.257 -6.168 1.00 0.00 C ATOM 1192 CG PRO A 75 7.445 17.804 -4.928 1.00 0.00 C ATOM 1193 CD PRO A 75 6.050 17.243 -4.878 1.00 0.00 C ATOM 0 HA PRO A 75 7.312 15.562 -7.369 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.147 17.200 -6.078 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.846 17.889 -7.029 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.015 17.511 -4.046 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.427 18.894 -4.949 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.721 17.075 -3.853 1.00 0.00 H new ATOM 0 HD3 PRO A 75 5.329 17.918 -5.338 1.00 0.00 H new ATOM 1201 N LEU A 76 8.078 14.448 -4.469 1.00 0.00 N ATOM 1202 CA LEU A 76 8.870 13.443 -3.769 1.00 0.00 C ATOM 1203 C LEU A 76 8.670 12.063 -4.390 1.00 0.00 C ATOM 1204 O LEU A 76 9.628 11.422 -4.822 1.00 0.00 O ATOM 1205 CB LEU A 76 8.492 13.407 -2.288 1.00 0.00 C ATOM 1206 CG LEU A 76 9.424 12.609 -1.376 1.00 0.00 C ATOM 1207 CD1 LEU A 76 10.611 13.459 -0.950 1.00 0.00 C ATOM 1208 CD2 LEU A 76 8.669 12.097 -0.158 1.00 0.00 C ATOM 0 H LEU A 76 7.313 14.840 -3.919 1.00 0.00 H new ATOM 0 HA LEU A 76 9.921 13.715 -3.862 1.00 0.00 H new ATOM 0 HB2 LEU A 76 8.447 14.432 -1.920 1.00 0.00 H new ATOM 0 HB3 LEU A 76 7.488 12.992 -2.200 1.00 0.00 H new ATOM 0 HG LEU A 76 9.799 11.751 -1.934 1.00 0.00 H new ATOM 0 HD11 LEU A 76 11.263 12.874 -0.301 1.00 0.00 H new ATOM 0 HD12 LEU A 76 11.167 13.776 -1.832 1.00 0.00 H new ATOM 0 HD13 LEU A 76 10.255 14.337 -0.410 1.00 0.00 H new ATOM 0 HD21 LEU A 76 9.348 11.531 0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.265 12.941 0.401 1.00 0.00 H new ATOM 0 HD23 LEU A 76 7.852 11.451 -0.481 1.00 0.00 H new ATOM 1220 N TYR A 77 7.421 11.615 -4.432 1.00 0.00 N ATOM 1221 CA TYR A 77 7.095 10.312 -4.999 1.00 0.00 C ATOM 1222 C TYR A 77 7.341 10.296 -6.505 1.00 0.00 C ATOM 1223 O TYR A 77 7.785 9.292 -7.062 1.00 0.00 O ATOM 1224 CB TYR A 77 5.637 9.954 -4.705 1.00 0.00 C ATOM 1225 CG TYR A 77 5.401 9.494 -3.285 1.00 0.00 C ATOM 1226 CD1 TYR A 77 5.643 8.177 -2.911 1.00 0.00 C ATOM 1227 CD2 TYR A 77 4.935 10.374 -2.316 1.00 0.00 C ATOM 1228 CE1 TYR A 77 5.428 7.752 -1.614 1.00 0.00 C ATOM 1229 CE2 TYR A 77 4.719 9.958 -1.017 1.00 0.00 C ATOM 1230 CZ TYR A 77 4.967 8.646 -0.671 1.00 0.00 C ATOM 1231 OH TYR A 77 4.751 8.227 0.622 1.00 0.00 O ATOM 0 H TYR A 77 6.617 12.135 -4.080 1.00 0.00 H new ATOM 0 HA TYR A 77 7.745 9.570 -4.535 1.00 0.00 H new ATOM 0 HB2 TYR A 77 5.011 10.823 -4.905 1.00 0.00 H new ATOM 0 HB3 TYR A 77 5.319 9.168 -5.390 1.00 0.00 H new ATOM 0 HD1 TYR A 77 6.005 7.474 -3.647 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.738 11.402 -2.583 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.620 6.725 -1.340 1.00 0.00 H new ATOM 0 HE2 TYR A 77 4.358 10.656 -0.276 1.00 0.00 H new ATOM 0 HH TYR A 77 3.817 8.394 0.868 1.00 0.00 H new ATOM 1241 N ASP A 78 7.050 11.416 -7.156 1.00 0.00 N ATOM 1242 CA ASP A 78 7.241 11.534 -8.597 1.00 0.00 C ATOM 1243 C ASP A 78 8.705 11.324 -8.971 1.00 0.00 C ATOM 1244 O ASP A 78 9.012 10.762 -10.022 1.00 0.00 O ATOM 1245 CB ASP A 78 6.769 12.905 -9.085 1.00 0.00 C ATOM 1246 CG ASP A 78 6.132 12.843 -10.459 1.00 0.00 C ATOM 1247 OD1 ASP A 78 5.051 12.231 -10.585 1.00 0.00 O ATOM 1248 OD2 ASP A 78 6.715 13.407 -11.409 1.00 0.00 O ATOM 0 H ASP A 78 6.681 12.255 -6.709 1.00 0.00 H new ATOM 0 HA ASP A 78 6.646 10.760 -9.082 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.052 13.313 -8.373 1.00 0.00 H new ATOM 0 HB3 ASP A 78 7.617 13.590 -9.111 1.00 0.00 H new ATOM 1253 N MET A 79 9.603 11.780 -8.104 1.00 0.00 N ATOM 1254 CA MET A 79 11.034 11.641 -8.343 1.00 0.00 C ATOM 1255 C MET A 79 11.511 10.235 -7.990 1.00 0.00 C ATOM 1256 O MET A 79 12.346 9.658 -8.688 1.00 0.00 O ATOM 1257 CB MET A 79 11.812 12.675 -7.528 1.00 0.00 C ATOM 1258 CG MET A 79 13.312 12.428 -7.504 1.00 0.00 C ATOM 1259 SD MET A 79 13.789 11.170 -6.304 1.00 0.00 S ATOM 1260 CE MET A 79 13.749 12.118 -4.785 1.00 0.00 C ATOM 0 H MET A 79 9.365 12.249 -7.230 1.00 0.00 H new ATOM 0 HA MET A 79 11.217 11.812 -9.404 1.00 0.00 H new ATOM 0 HB2 MET A 79 11.622 13.667 -7.939 1.00 0.00 H new ATOM 0 HB3 MET A 79 11.436 12.676 -6.505 1.00 0.00 H new ATOM 0 HG2 MET A 79 13.642 12.121 -8.497 1.00 0.00 H new ATOM 0 HG3 MET A 79 13.826 13.360 -7.271 1.00 0.00 H new ATOM 0 HE1 MET A 79 13.793 11.441 -3.932 1.00 0.00 H new ATOM 0 HE2 MET A 79 14.603 12.794 -4.756 1.00 0.00 H new ATOM 0 HE3 MET A 79 12.826 12.697 -4.742 1.00 0.00 H new ATOM 1270 N LEU A 80 10.976 9.690 -6.904 1.00 0.00 N ATOM 1271 CA LEU A 80 11.347 8.351 -6.458 1.00 0.00 C ATOM 1272 C LEU A 80 10.864 7.295 -7.446 1.00 0.00 C ATOM 1273 O LEU A 80 11.503 6.257 -7.622 1.00 0.00 O ATOM 1274 CB LEU A 80 10.762 8.074 -5.072 1.00 0.00 C ATOM 1275 CG LEU A 80 11.286 8.951 -3.934 1.00 0.00 C ATOM 1276 CD1 LEU A 80 10.490 8.708 -2.662 1.00 0.00 C ATOM 1277 CD2 LEU A 80 12.766 8.689 -3.697 1.00 0.00 C ATOM 0 H LEU A 80 10.284 10.154 -6.316 1.00 0.00 H new ATOM 0 HA LEU A 80 12.434 8.301 -6.404 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.680 8.192 -5.126 1.00 0.00 H new ATOM 0 HB3 LEU A 80 10.956 7.032 -4.819 1.00 0.00 H new ATOM 0 HG LEU A 80 11.163 9.995 -4.221 1.00 0.00 H new ATOM 0 HD11 LEU A 80 10.878 9.341 -1.864 1.00 0.00 H new ATOM 0 HD12 LEU A 80 9.441 8.947 -2.838 1.00 0.00 H new ATOM 0 HD13 LEU A 80 10.580 7.661 -2.371 1.00 0.00 H new ATOM 0 HD21 LEU A 80 13.122 9.322 -2.884 1.00 0.00 H new ATOM 0 HD22 LEU A 80 12.912 7.642 -3.433 1.00 0.00 H new ATOM 0 HD23 LEU A 80 13.326 8.916 -4.605 1.00 0.00 H new ATOM 1289 N ARG A 81 9.735 7.567 -8.091 1.00 0.00 N ATOM 1290 CA ARG A 81 9.167 6.640 -9.063 1.00 0.00 C ATOM 1291 C ARG A 81 10.241 6.132 -10.021 1.00 0.00 C ATOM 1292 O ARG A 81 10.353 4.930 -10.264 1.00 0.00 O ATOM 1293 CB ARG A 81 8.045 7.319 -9.852 1.00 0.00 C ATOM 1294 CG ARG A 81 8.521 7.999 -11.125 1.00 0.00 C ATOM 1295 CD ARG A 81 7.369 8.655 -11.869 1.00 0.00 C ATOM 1296 NE ARG A 81 6.898 7.834 -12.982 1.00 0.00 N ATOM 1297 CZ ARG A 81 7.596 7.636 -14.095 1.00 0.00 C ATOM 1298 NH1 ARG A 81 8.788 8.197 -14.243 1.00 0.00 N ATOM 1299 NH2 ARG A 81 7.100 6.876 -15.063 1.00 0.00 N ATOM 0 H ARG A 81 9.195 8.422 -7.958 1.00 0.00 H new ATOM 0 HA ARG A 81 8.756 5.789 -8.520 1.00 0.00 H new ATOM 0 HB2 ARG A 81 7.291 6.575 -10.108 1.00 0.00 H new ATOM 0 HB3 ARG A 81 7.560 8.058 -9.215 1.00 0.00 H new ATOM 0 HG2 ARG A 81 9.272 8.750 -10.879 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.003 7.266 -11.772 1.00 0.00 H new ATOM 0 HD2 ARG A 81 6.546 8.834 -11.177 1.00 0.00 H new ATOM 0 HD3 ARG A 81 7.687 9.627 -12.245 1.00 0.00 H new ATOM 0 HE ARG A 81 5.984 7.389 -12.900 1.00 0.00 H new ATOM 0 HH11 ARG A 81 9.172 8.783 -13.501 1.00 0.00 H new ATOM 0 HH12 ARG A 81 9.321 8.043 -15.099 1.00 0.00 H new ATOM 0 HH21 ARG A 81 6.183 6.444 -14.953 1.00 0.00 H new ATOM 0 HH22 ARG A 81 7.636 6.724 -15.917 1.00 0.00 H new ATOM 1313 N LYS A 82 11.028 7.055 -10.563 1.00 0.00 N ATOM 1314 CA LYS A 82 12.094 6.702 -11.493 1.00 0.00 C ATOM 1315 C LYS A 82 13.462 6.847 -10.834 1.00 0.00 C ATOM 1316 O LYS A 82 14.491 6.585 -11.455 1.00 0.00 O ATOM 1317 CB LYS A 82 12.021 7.584 -12.742 1.00 0.00 C ATOM 1318 CG LYS A 82 13.031 8.718 -12.745 1.00 0.00 C ATOM 1319 CD LYS A 82 12.818 9.658 -11.570 1.00 0.00 C ATOM 1320 CE LYS A 82 11.926 10.830 -11.949 1.00 0.00 C ATOM 1321 NZ LYS A 82 11.396 10.699 -13.334 1.00 0.00 N ATOM 0 H LYS A 82 10.948 8.054 -10.374 1.00 0.00 H new ATOM 0 HA LYS A 82 11.959 5.660 -11.783 1.00 0.00 H new ATOM 0 HB2 LYS A 82 12.181 6.964 -13.624 1.00 0.00 H new ATOM 0 HB3 LYS A 82 11.018 8.002 -12.823 1.00 0.00 H new ATOM 0 HG2 LYS A 82 14.040 8.308 -12.706 1.00 0.00 H new ATOM 0 HG3 LYS A 82 12.950 9.276 -13.678 1.00 0.00 H new ATOM 0 HD2 LYS A 82 12.369 9.111 -10.741 1.00 0.00 H new ATOM 0 HD3 LYS A 82 13.781 10.030 -11.221 1.00 0.00 H new ATOM 0 HE2 LYS A 82 11.095 10.896 -11.247 1.00 0.00 H new ATOM 0 HE3 LYS A 82 12.490 11.759 -11.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.653 11.410 -13.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 12.167 10.848 -14.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 10.998 9.747 -13.465 1.00 0.00 H new ATOM 1335 N ASN A 83 13.464 7.265 -9.572 1.00 0.00 N ATOM 1336 CA ASN A 83 14.706 7.443 -8.829 1.00 0.00 C ATOM 1337 C ASN A 83 14.898 6.322 -7.813 1.00 0.00 C ATOM 1338 O ASN A 83 15.936 5.659 -7.791 1.00 0.00 O ATOM 1339 CB ASN A 83 14.709 8.798 -8.117 1.00 0.00 C ATOM 1340 CG ASN A 83 16.028 9.085 -7.425 1.00 0.00 C ATOM 1341 OD1 ASN A 83 15.988 9.202 -6.103 1.00 0.00 O flip ATOM 1342 ND2 ASN A 83 17.069 9.199 -8.072 1.00 0.00 N flip ATOM 0 H ASN A 83 12.620 7.486 -9.043 1.00 0.00 H new ATOM 0 HA ASN A 83 15.532 7.411 -9.539 1.00 0.00 H new ATOM 0 HB2 ASN A 83 14.503 9.586 -8.841 1.00 0.00 H new ATOM 0 HB3 ASN A 83 13.904 8.821 -7.383 1.00 0.00 H new ATOM 0 HD21 ASN A 83 17.052 9.101 -9.087 1.00 0.00 H new ATOM 0 HD22 ASN A 83 17.949 9.391 -7.593 1.00 0.00 H new ATOM 1349 N LEU A 84 13.891 6.115 -6.972 1.00 0.00 N ATOM 1350 CA LEU A 84 13.947 5.073 -5.952 1.00 0.00 C ATOM 1351 C LEU A 84 13.421 3.749 -6.497 1.00 0.00 C ATOM 1352 O LEU A 84 12.215 3.572 -6.669 1.00 0.00 O ATOM 1353 CB LEU A 84 13.137 5.490 -4.724 1.00 0.00 C ATOM 1354 CG LEU A 84 13.817 5.282 -3.370 1.00 0.00 C ATOM 1355 CD1 LEU A 84 14.383 3.874 -3.268 1.00 0.00 C ATOM 1356 CD2 LEU A 84 14.912 6.316 -3.158 1.00 0.00 C ATOM 0 H LEU A 84 13.026 6.655 -6.976 1.00 0.00 H new ATOM 0 HA LEU A 84 14.989 4.937 -5.663 1.00 0.00 H new ATOM 0 HB2 LEU A 84 12.883 6.545 -4.822 1.00 0.00 H new ATOM 0 HB3 LEU A 84 12.199 4.935 -4.726 1.00 0.00 H new ATOM 0 HG LEU A 84 13.070 5.409 -2.587 1.00 0.00 H new ATOM 0 HD11 LEU A 84 14.863 3.744 -2.298 1.00 0.00 H new ATOM 0 HD12 LEU A 84 13.576 3.149 -3.373 1.00 0.00 H new ATOM 0 HD13 LEU A 84 15.116 3.718 -4.059 1.00 0.00 H new ATOM 0 HD21 LEU A 84 15.384 6.152 -2.189 1.00 0.00 H new ATOM 0 HD22 LEU A 84 15.659 6.222 -3.947 1.00 0.00 H new ATOM 0 HD23 LEU A 84 14.479 7.316 -3.186 1.00 0.00 H new ATOM 1368 N VAL A 85 14.333 2.820 -6.765 1.00 0.00 N ATOM 1369 CA VAL A 85 13.961 1.511 -7.287 1.00 0.00 C ATOM 1370 C VAL A 85 12.861 0.875 -6.444 1.00 0.00 C ATOM 1371 O VAL A 85 12.856 0.994 -5.218 1.00 0.00 O ATOM 1372 CB VAL A 85 15.172 0.560 -7.333 1.00 0.00 C ATOM 1373 CG1 VAL A 85 14.735 -0.875 -7.080 1.00 0.00 C ATOM 1374 CG2 VAL A 85 15.892 0.679 -8.668 1.00 0.00 C ATOM 0 H VAL A 85 15.335 2.950 -6.629 1.00 0.00 H new ATOM 0 HA VAL A 85 13.593 1.668 -8.301 1.00 0.00 H new ATOM 0 HB VAL A 85 15.867 0.847 -6.544 1.00 0.00 H new ATOM 0 HG11 VAL A 85 15.604 -1.532 -7.116 1.00 0.00 H new ATOM 0 HG12 VAL A 85 14.268 -0.945 -6.098 1.00 0.00 H new ATOM 0 HG13 VAL A 85 14.019 -1.178 -7.844 1.00 0.00 H new ATOM 0 HG21 VAL A 85 16.745 0.000 -8.683 1.00 0.00 H new ATOM 0 HG22 VAL A 85 15.207 0.419 -9.475 1.00 0.00 H new ATOM 0 HG23 VAL A 85 16.241 1.703 -8.803 1.00 0.00 H new ATOM 1384 N THR A 86 11.930 0.199 -7.109 1.00 0.00 N ATOM 1385 CA THR A 86 10.824 -0.456 -6.421 1.00 0.00 C ATOM 1386 C THR A 86 10.488 -1.794 -7.069 1.00 0.00 C ATOM 1387 O THR A 86 10.117 -1.851 -8.242 1.00 0.00 O ATOM 1388 CB THR A 86 9.563 0.430 -6.415 1.00 0.00 C ATOM 1389 OG1 THR A 86 9.376 1.024 -7.704 1.00 0.00 O ATOM 1390 CG2 THR A 86 9.672 1.519 -5.359 1.00 0.00 C ATOM 0 H THR A 86 11.920 0.091 -8.123 1.00 0.00 H new ATOM 0 HA THR A 86 11.146 -0.624 -5.393 1.00 0.00 H new ATOM 0 HB THR A 86 8.705 -0.199 -6.178 1.00 0.00 H new ATOM 0 HG1 THR A 86 8.558 1.563 -7.700 1.00 0.00 H new ATOM 0 HG21 THR A 86 8.771 2.132 -5.374 1.00 0.00 H new ATOM 0 HG22 THR A 86 9.785 1.062 -4.376 1.00 0.00 H new ATOM 0 HG23 THR A 86 10.539 2.145 -5.570 1.00 0.00 H new ATOM 1398 N LEU A 87 10.619 -2.868 -6.299 1.00 0.00 N ATOM 1399 CA LEU A 87 10.328 -4.208 -6.799 1.00 0.00 C ATOM 1400 C LEU A 87 8.954 -4.676 -6.332 1.00 0.00 C ATOM 1401 O LEU A 87 8.181 -3.902 -5.769 1.00 0.00 O ATOM 1402 CB LEU A 87 11.401 -5.192 -6.330 1.00 0.00 C ATOM 1403 CG LEU A 87 12.453 -4.633 -5.371 1.00 0.00 C ATOM 1404 CD1 LEU A 87 13.381 -5.738 -4.893 1.00 0.00 C ATOM 1405 CD2 LEU A 87 13.246 -3.519 -6.039 1.00 0.00 C ATOM 0 H LEU A 87 10.925 -2.838 -5.326 1.00 0.00 H new ATOM 0 HA LEU A 87 10.328 -4.171 -7.888 1.00 0.00 H new ATOM 0 HB2 LEU A 87 10.906 -6.033 -5.844 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.912 -5.586 -7.208 1.00 0.00 H new ATOM 0 HG LEU A 87 11.941 -4.217 -4.503 1.00 0.00 H new ATOM 0 HD11 LEU A 87 14.123 -5.321 -4.212 1.00 0.00 H new ATOM 0 HD12 LEU A 87 12.801 -6.502 -4.375 1.00 0.00 H new ATOM 0 HD13 LEU A 87 13.886 -6.185 -5.749 1.00 0.00 H new ATOM 0 HD21 LEU A 87 13.990 -3.133 -5.342 1.00 0.00 H new ATOM 0 HD22 LEU A 87 13.747 -3.910 -6.925 1.00 0.00 H new ATOM 0 HD23 LEU A 87 12.570 -2.715 -6.330 1.00 0.00 H new ATOM 1417 N ALA A 88 8.657 -5.950 -6.569 1.00 0.00 N ATOM 1418 CA ALA A 88 7.377 -6.523 -6.170 1.00 0.00 C ATOM 1419 C ALA A 88 6.214 -5.702 -6.715 1.00 0.00 C ATOM 1420 O ALA A 88 5.142 -5.646 -6.111 1.00 0.00 O ATOM 1421 CB ALA A 88 7.293 -6.620 -4.654 1.00 0.00 C ATOM 0 H ALA A 88 9.285 -6.605 -7.035 1.00 0.00 H new ATOM 0 HA ALA A 88 7.308 -7.526 -6.592 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.332 -7.049 -4.370 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.098 -7.255 -4.285 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.388 -5.625 -4.220 1.00 0.00 H new ATOM 1427 N THR A 89 6.431 -5.065 -7.861 1.00 0.00 N ATOM 1428 CA THR A 89 5.401 -4.245 -8.487 1.00 0.00 C ATOM 1429 C THR A 89 4.925 -3.146 -7.544 1.00 0.00 C ATOM 1430 O THR A 89 5.561 -2.917 -6.517 1.00 0.00 O ATOM 1431 CB THR A 89 4.192 -5.095 -8.919 1.00 0.00 C ATOM 1432 OG1 THR A 89 4.544 -6.483 -8.919 1.00 0.00 O ATOM 1433 CG2 THR A 89 3.712 -4.689 -10.305 1.00 0.00 C ATOM 0 H THR A 89 7.311 -5.101 -8.375 1.00 0.00 H new ATOM 0 HA THR A 89 5.851 -3.792 -9.370 1.00 0.00 H new ATOM 0 HB THR A 89 3.384 -4.925 -8.207 1.00 0.00 H new ATOM 0 HG1 THR A 89 3.769 -7.017 -9.193 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.857 -5.303 -10.588 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.417 -3.640 -10.295 1.00 0.00 H new ATOM 0 HG23 THR A 89 4.517 -4.833 -11.026 1.00 0.00 H new TER 1441 THR A 89 ATOM 1442 N SER B 115 6.949 13.428 15.929 1.00 0.00 N ATOM 1443 CA SER B 115 7.457 12.421 16.853 1.00 0.00 C ATOM 1444 C SER B 115 8.460 13.033 17.826 1.00 0.00 C ATOM 1445 O SER B 115 8.150 13.254 18.996 1.00 0.00 O ATOM 1446 CB SER B 115 8.113 11.275 16.080 1.00 0.00 C ATOM 1447 OG SER B 115 7.378 10.072 16.231 1.00 0.00 O ATOM 0 HA SER B 115 6.615 12.030 17.425 1.00 0.00 H new ATOM 0 HB2 SER B 115 8.178 11.535 15.023 1.00 0.00 H new ATOM 0 HB3 SER B 115 9.133 11.129 16.436 1.00 0.00 H new ATOM 0 HG SER B 115 7.816 9.355 15.726 1.00 0.00 H new ATOM 1453 N GLN B 116 9.664 13.304 17.332 1.00 0.00 N ATOM 1454 CA GLN B 116 10.714 13.890 18.157 1.00 0.00 C ATOM 1455 C GLN B 116 10.813 15.394 17.925 1.00 0.00 C ATOM 1456 O GLN B 116 11.836 16.011 18.221 1.00 0.00 O ATOM 1457 CB GLN B 116 12.058 13.226 17.857 1.00 0.00 C ATOM 1458 CG GLN B 116 12.407 12.099 18.816 1.00 0.00 C ATOM 1459 CD GLN B 116 12.117 10.728 18.236 1.00 0.00 C ATOM 1460 OE1 GLN B 116 10.839 10.429 18.035 1.00 0.00 O flip ATOM 1461 NE2 GLN B 116 13.031 9.947 17.972 1.00 0.00 N flip ATOM 0 H GLN B 116 9.936 13.127 16.365 1.00 0.00 H new ATOM 0 HA GLN B 116 10.458 13.718 19.202 1.00 0.00 H new ATOM 0 HB2 GLN B 116 12.041 12.834 16.840 1.00 0.00 H new ATOM 0 HB3 GLN B 116 12.843 13.981 17.895 1.00 0.00 H new ATOM 0 HG2 GLN B 116 13.463 12.163 19.077 1.00 0.00 H new ATOM 0 HG3 GLN B 116 11.843 12.225 19.740 1.00 0.00 H new ATOM 0 HE21 GLN B 116 13.999 10.219 18.143 1.00 0.00 H new ATOM 0 HE22 GLN B 116 12.820 9.028 17.582 1.00 0.00 H new ATOM 1470 N GLU B 117 9.744 15.978 17.392 1.00 0.00 N ATOM 1471 CA GLU B 117 9.713 17.410 17.119 1.00 0.00 C ATOM 1472 C GLU B 117 10.375 17.723 15.780 1.00 0.00 C ATOM 1473 O GLU B 117 10.746 16.819 15.031 1.00 0.00 O ATOM 1474 CB GLU B 117 10.414 18.181 18.240 1.00 0.00 C ATOM 1475 CG GLU B 117 11.810 18.654 17.872 1.00 0.00 C ATOM 1476 CD GLU B 117 12.699 18.850 19.085 1.00 0.00 C ATOM 1477 OE1 GLU B 117 12.156 19.029 20.195 1.00 0.00 O ATOM 1478 OE2 GLU B 117 13.937 18.823 18.923 1.00 0.00 O ATOM 0 H GLU B 117 8.889 15.482 17.141 1.00 0.00 H new ATOM 0 HA GLU B 117 8.670 17.722 17.071 1.00 0.00 H new ATOM 0 HB2 GLU B 117 9.806 19.045 18.511 1.00 0.00 H new ATOM 0 HB3 GLU B 117 10.476 17.545 19.123 1.00 0.00 H new ATOM 0 HG2 GLU B 117 12.271 17.928 17.202 1.00 0.00 H new ATOM 0 HG3 GLU B 117 11.738 19.593 17.323 1.00 0.00 H new ATOM 1485 N THR B 118 10.519 19.011 15.485 1.00 0.00 N ATOM 1486 CA THR B 118 11.134 19.445 14.237 1.00 0.00 C ATOM 1487 C THR B 118 10.572 18.671 13.049 1.00 0.00 C ATOM 1488 O THR B 118 9.428 18.216 13.077 1.00 0.00 O ATOM 1489 CB THR B 118 12.663 19.268 14.273 1.00 0.00 C ATOM 1490 OG1 THR B 118 13.120 19.231 15.629 1.00 0.00 O ATOM 1491 CG2 THR B 118 13.357 20.400 13.530 1.00 0.00 C ATOM 0 H THR B 118 10.218 19.772 16.094 1.00 0.00 H new ATOM 0 HA THR B 118 10.901 20.503 14.121 1.00 0.00 H new ATOM 0 HB THR B 118 12.909 18.327 13.781 1.00 0.00 H new ATOM 0 HG1 THR B 118 13.700 18.452 15.758 1.00 0.00 H new ATOM 0 HG21 THR B 118 14.436 20.253 13.569 1.00 0.00 H new ATOM 0 HG22 THR B 118 13.029 20.408 12.490 1.00 0.00 H new ATOM 0 HG23 THR B 118 13.103 21.351 13.997 1.00 0.00 H new ATOM 1499 N PHE B 119 11.383 18.526 12.007 1.00 0.00 N ATOM 1500 CA PHE B 119 10.966 17.807 10.808 1.00 0.00 C ATOM 1501 C PHE B 119 10.113 16.595 11.170 1.00 0.00 C ATOM 1502 O PHE B 119 9.109 16.311 10.517 1.00 0.00 O ATOM 1503 CB PHE B 119 12.189 17.361 10.004 1.00 0.00 C ATOM 1504 CG PHE B 119 12.017 17.512 8.519 1.00 0.00 C ATOM 1505 CD1 PHE B 119 10.753 17.584 7.959 1.00 0.00 C ATOM 1506 CD2 PHE B 119 13.121 17.581 7.685 1.00 0.00 C ATOM 1507 CE1 PHE B 119 10.591 17.723 6.593 1.00 0.00 C ATOM 1508 CE2 PHE B 119 12.966 17.721 6.318 1.00 0.00 C ATOM 1509 CZ PHE B 119 11.699 17.790 5.772 1.00 0.00 C ATOM 0 H PHE B 119 12.333 18.896 11.968 1.00 0.00 H new ATOM 0 HA PHE B 119 10.366 18.483 10.199 1.00 0.00 H new ATOM 0 HB2 PHE B 119 13.055 17.942 10.322 1.00 0.00 H new ATOM 0 HB3 PHE B 119 12.403 16.317 10.233 1.00 0.00 H new ATOM 0 HD1 PHE B 119 9.883 17.531 8.597 1.00 0.00 H new ATOM 0 HD2 PHE B 119 14.114 17.525 8.107 1.00 0.00 H new ATOM 0 HE1 PHE B 119 9.599 17.779 6.169 1.00 0.00 H new ATOM 0 HE2 PHE B 119 13.834 17.776 5.678 1.00 0.00 H new ATOM 0 HZ PHE B 119 11.575 17.896 4.704 1.00 0.00 H new ATOM 1519 N SER B 120 10.520 15.883 12.217 1.00 0.00 N ATOM 1520 CA SER B 120 9.796 14.699 12.664 1.00 0.00 C ATOM 1521 C SER B 120 8.302 14.987 12.779 1.00 0.00 C ATOM 1522 O SER B 120 7.469 14.180 12.365 1.00 0.00 O ATOM 1523 CB SER B 120 10.340 14.222 14.012 1.00 0.00 C ATOM 1524 OG SER B 120 10.608 12.831 13.990 1.00 0.00 O ATOM 0 H SER B 120 11.347 16.106 12.771 1.00 0.00 H new ATOM 0 HA SER B 120 9.941 13.913 11.923 1.00 0.00 H new ATOM 0 HB2 SER B 120 11.252 14.768 14.253 1.00 0.00 H new ATOM 0 HB3 SER B 120 9.618 14.444 14.798 1.00 0.00 H new ATOM 0 HG SER B 120 11.101 12.580 14.799 1.00 0.00 H new ATOM 1530 N ASP B 121 7.970 16.142 13.344 1.00 0.00 N ATOM 1531 CA ASP B 121 6.577 16.539 13.513 1.00 0.00 C ATOM 1532 C ASP B 121 5.804 16.380 12.208 1.00 0.00 C ATOM 1533 O ASP B 121 4.891 15.560 12.110 1.00 0.00 O ATOM 1534 CB ASP B 121 6.492 17.987 13.998 1.00 0.00 C ATOM 1535 CG ASP B 121 5.074 18.401 14.339 1.00 0.00 C ATOM 1536 OD1 ASP B 121 4.147 17.599 14.098 1.00 0.00 O ATOM 1537 OD2 ASP B 121 4.891 19.527 14.847 1.00 0.00 O ATOM 0 H ASP B 121 8.647 16.821 13.693 1.00 0.00 H new ATOM 0 HA ASP B 121 6.128 15.887 14.262 1.00 0.00 H new ATOM 0 HB2 ASP B 121 7.125 18.110 14.877 1.00 0.00 H new ATOM 0 HB3 ASP B 121 6.885 18.649 13.227 1.00 0.00 H new ATOM 1542 N LEU B 122 6.176 17.170 11.206 1.00 0.00 N ATOM 1543 CA LEU B 122 5.517 17.118 9.906 1.00 0.00 C ATOM 1544 C LEU B 122 6.001 15.918 9.098 1.00 0.00 C ATOM 1545 O LEU B 122 5.204 15.081 8.673 1.00 0.00 O ATOM 1546 CB LEU B 122 5.778 18.409 9.128 1.00 0.00 C ATOM 1547 CG LEU B 122 5.714 19.705 9.938 1.00 0.00 C ATOM 1548 CD1 LEU B 122 6.604 20.769 9.314 1.00 0.00 C ATOM 1549 CD2 LEU B 122 4.278 20.200 10.039 1.00 0.00 C ATOM 0 H LEU B 122 6.930 17.854 11.269 1.00 0.00 H new ATOM 0 HA LEU B 122 4.445 17.012 10.074 1.00 0.00 H new ATOM 0 HB2 LEU B 122 6.764 18.340 8.668 1.00 0.00 H new ATOM 0 HB3 LEU B 122 5.052 18.474 8.317 1.00 0.00 H new ATOM 0 HG LEU B 122 6.079 19.501 10.945 1.00 0.00 H new ATOM 0 HD11 LEU B 122 6.546 21.684 9.904 1.00 0.00 H new ATOM 0 HD12 LEU B 122 7.635 20.415 9.294 1.00 0.00 H new ATOM 0 HD13 LEU B 122 6.270 20.971 8.296 1.00 0.00 H new ATOM 0 HD21 LEU B 122 4.251 21.123 10.619 1.00 0.00 H new ATOM 0 HD22 LEU B 122 3.887 20.388 9.039 1.00 0.00 H new ATOM 0 HD23 LEU B 122 3.666 19.444 10.532 1.00 0.00 H new ATOM 1561 N TRP B 123 7.310 15.840 8.892 1.00 0.00 N ATOM 1562 CA TRP B 123 7.900 14.740 8.136 1.00 0.00 C ATOM 1563 C TRP B 123 7.141 13.442 8.382 1.00 0.00 C ATOM 1564 O TRP B 123 6.669 12.799 7.444 1.00 0.00 O ATOM 1565 CB TRP B 123 9.372 14.565 8.517 1.00 0.00 C ATOM 1566 CG TRP B 123 10.153 13.768 7.516 1.00 0.00 C ATOM 1567 CD1 TRP B 123 10.811 12.592 7.739 1.00 0.00 C ATOM 1568 CD2 TRP B 123 10.359 14.091 6.137 1.00 0.00 C ATOM 1569 NE1 TRP B 123 11.414 12.165 6.580 1.00 0.00 N ATOM 1570 CE2 TRP B 123 11.151 13.066 5.583 1.00 0.00 C ATOM 1571 CE3 TRP B 123 9.951 15.145 5.315 1.00 0.00 C ATOM 1572 CZ2 TRP B 123 11.542 13.067 4.247 1.00 0.00 C ATOM 1573 CZ3 TRP B 123 10.339 15.145 3.989 1.00 0.00 C ATOM 1574 CH2 TRP B 123 11.128 14.111 3.465 1.00 0.00 C ATOM 0 H TRP B 123 7.983 16.524 9.237 1.00 0.00 H new ATOM 0 HA TRP B 123 7.832 14.983 7.076 1.00 0.00 H new ATOM 0 HB2 TRP B 123 9.831 15.548 8.627 1.00 0.00 H new ATOM 0 HB3 TRP B 123 9.433 14.075 9.489 1.00 0.00 H new ATOM 0 HD1 TRP B 123 10.851 12.074 8.686 1.00 0.00 H new ATOM 0 HE1 TRP B 123 11.968 11.314 6.479 1.00 0.00 H new ATOM 0 HE3 TRP B 123 9.343 15.946 5.709 1.00 0.00 H new ATOM 0 HZ2 TRP B 123 12.151 12.272 3.842 1.00 0.00 H new ATOM 0 HZ3 TRP B 123 10.029 15.955 3.345 1.00 0.00 H new ATOM 0 HH2 TRP B 123 11.415 14.139 2.424 1.00 0.00 H new ATOM 1585 N LYS B 124 7.025 13.059 9.650 1.00 0.00 N ATOM 1586 CA LYS B 124 6.321 11.837 10.020 1.00 0.00 C ATOM 1587 C LYS B 124 4.957 11.768 9.340 1.00 0.00 C ATOM 1588 O LYS B 124 4.568 10.727 8.810 1.00 0.00 O ATOM 1589 CB LYS B 124 6.150 11.763 11.539 1.00 0.00 C ATOM 1590 CG LYS B 124 5.566 10.446 12.021 1.00 0.00 C ATOM 1591 CD LYS B 124 4.154 10.624 12.554 1.00 0.00 C ATOM 1592 CE LYS B 124 3.116 10.406 11.465 1.00 0.00 C ATOM 1593 NZ LYS B 124 1.998 9.539 11.930 1.00 0.00 N ATOM 0 H LYS B 124 7.410 13.578 10.439 1.00 0.00 H new ATOM 0 HA LYS B 124 6.917 10.988 9.686 1.00 0.00 H new ATOM 0 HB2 LYS B 124 7.119 11.916 12.013 1.00 0.00 H new ATOM 0 HB3 LYS B 124 5.503 12.578 11.864 1.00 0.00 H new ATOM 0 HG2 LYS B 124 5.558 9.728 11.201 1.00 0.00 H new ATOM 0 HG3 LYS B 124 6.201 10.030 12.803 1.00 0.00 H new ATOM 0 HD2 LYS B 124 3.981 9.922 13.369 1.00 0.00 H new ATOM 0 HD3 LYS B 124 4.044 11.626 12.968 1.00 0.00 H new ATOM 0 HE2 LYS B 124 2.719 11.369 11.143 1.00 0.00 H new ATOM 0 HE3 LYS B 124 3.591 9.951 10.596 1.00 0.00 H new ATOM 0 HZ1 LYS B 124 1.311 9.414 11.159 1.00 0.00 H new ATOM 0 HZ2 LYS B 124 2.373 8.611 12.213 1.00 0.00 H new ATOM 0 HZ3 LYS B 124 1.528 9.985 12.743 1.00 0.00 H new ATOM 1607 N LEU B 125 4.235 12.884 9.357 1.00 0.00 N ATOM 1608 CA LEU B 125 2.915 12.950 8.741 1.00 0.00 C ATOM 1609 C LEU B 125 2.956 12.430 7.308 1.00 0.00 C ATOM 1610 O LEU B 125 2.023 11.771 6.848 1.00 0.00 O ATOM 1611 CB LEU B 125 2.394 14.388 8.759 1.00 0.00 C ATOM 1612 CG LEU B 125 0.888 14.559 8.554 1.00 0.00 C ATOM 1613 CD1 LEU B 125 0.457 15.973 8.912 1.00 0.00 C ATOM 1614 CD2 LEU B 125 0.505 14.231 7.118 1.00 0.00 C ATOM 0 H LEU B 125 4.542 13.755 9.791 1.00 0.00 H new ATOM 0 HA LEU B 125 2.240 12.318 9.318 1.00 0.00 H new ATOM 0 HB2 LEU B 125 2.664 14.839 9.714 1.00 0.00 H new ATOM 0 HB3 LEU B 125 2.912 14.951 7.983 1.00 0.00 H new ATOM 0 HG LEU B 125 0.370 13.865 9.216 1.00 0.00 H new ATOM 0 HD11 LEU B 125 -0.617 16.075 8.760 1.00 0.00 H new ATOM 0 HD12 LEU B 125 0.696 16.173 9.956 1.00 0.00 H new ATOM 0 HD13 LEU B 125 0.983 16.686 8.277 1.00 0.00 H new ATOM 0 HD21 LEU B 125 -0.570 14.358 6.990 1.00 0.00 H new ATOM 0 HD22 LEU B 125 1.033 14.900 6.439 1.00 0.00 H new ATOM 0 HD23 LEU B 125 0.777 13.199 6.895 1.00 0.00 H new ATOM 1626 N LEU B 126 4.044 12.729 6.607 1.00 0.00 N ATOM 1627 CA LEU B 126 4.209 12.290 5.225 1.00 0.00 C ATOM 1628 C LEU B 126 3.641 10.888 5.028 1.00 0.00 C ATOM 1629 O LEU B 126 4.050 9.928 5.681 1.00 0.00 O ATOM 1630 CB LEU B 126 5.688 12.312 4.835 1.00 0.00 C ATOM 1631 CG LEU B 126 5.987 12.464 3.343 1.00 0.00 C ATOM 1632 CD1 LEU B 126 6.103 13.933 2.969 1.00 0.00 C ATOM 1633 CD2 LEU B 126 7.260 11.715 2.976 1.00 0.00 C ATOM 0 H LEU B 126 4.825 13.274 6.972 1.00 0.00 H new ATOM 0 HA LEU B 126 3.660 12.979 4.583 1.00 0.00 H new ATOM 0 HB2 LEU B 126 6.171 13.131 5.367 1.00 0.00 H new ATOM 0 HB3 LEU B 126 6.149 11.389 5.185 1.00 0.00 H new ATOM 0 HG LEU B 126 5.160 12.032 2.780 1.00 0.00 H new ATOM 0 HD11 LEU B 126 6.316 14.022 1.904 1.00 0.00 H new ATOM 0 HD12 LEU B 126 5.166 14.441 3.195 1.00 0.00 H new ATOM 0 HD13 LEU B 126 6.911 14.391 3.540 1.00 0.00 H new ATOM 0 HD21 LEU B 126 7.458 11.834 1.911 1.00 0.00 H new ATOM 0 HD22 LEU B 126 8.096 12.117 3.547 1.00 0.00 H new ATOM 0 HD23 LEU B 126 7.139 10.657 3.207 1.00 0.00 H new ATOM 1645 N PRO B 127 2.676 10.766 4.104 1.00 0.00 N ATOM 1646 CA PRO B 127 2.032 9.485 3.797 1.00 0.00 C ATOM 1647 C PRO B 127 2.973 8.520 3.084 1.00 0.00 C ATOM 1648 O PRO B 127 2.747 8.158 1.930 1.00 0.00 O ATOM 1649 CB PRO B 127 0.875 9.881 2.877 1.00 0.00 C ATOM 1650 CG PRO B 127 1.309 11.162 2.252 1.00 0.00 C ATOM 1651 CD PRO B 127 2.139 11.868 3.288 1.00 0.00 C ATOM 0 HA PRO B 127 1.717 8.961 4.699 1.00 0.00 H new ATOM 0 HB2 PRO B 127 0.689 9.116 2.123 1.00 0.00 H new ATOM 0 HB3 PRO B 127 -0.051 10.008 3.438 1.00 0.00 H new ATOM 0 HG2 PRO B 127 1.888 10.978 1.347 1.00 0.00 H new ATOM 0 HG3 PRO B 127 0.449 11.766 1.963 1.00 0.00 H new ATOM 0 HD2 PRO B 127 2.936 12.456 2.832 1.00 0.00 H new ATOM 0 HD3 PRO B 127 1.538 12.554 3.885 1.00 0.00 H new ATOM 1659 N GLU B 128 4.028 8.106 3.780 1.00 0.00 N ATOM 1660 CA GLU B 128 5.003 7.183 3.211 1.00 0.00 C ATOM 1661 C GLU B 128 4.313 6.115 2.367 1.00 0.00 C ATOM 1662 O GLU B 128 4.857 5.655 1.364 1.00 0.00 O ATOM 1663 CB GLU B 128 5.820 6.521 4.323 1.00 0.00 C ATOM 1664 CG GLU B 128 5.063 6.381 5.633 1.00 0.00 C ATOM 1665 CD GLU B 128 5.500 7.397 6.670 1.00 0.00 C ATOM 1666 OE1 GLU B 128 6.632 7.913 6.554 1.00 0.00 O ATOM 1667 OE2 GLU B 128 4.712 7.676 7.597 1.00 0.00 O ATOM 0 H GLU B 128 4.229 8.395 4.737 1.00 0.00 H new ATOM 0 HA GLU B 128 5.673 7.753 2.567 1.00 0.00 H new ATOM 0 HB2 GLU B 128 6.138 5.533 3.990 1.00 0.00 H new ATOM 0 HB3 GLU B 128 6.724 7.106 4.496 1.00 0.00 H new ATOM 0 HG2 GLU B 128 3.995 6.495 5.445 1.00 0.00 H new ATOM 0 HG3 GLU B 128 5.212 5.376 6.029 1.00 0.00 H new ATOM 1674 N ASN B 129 3.112 5.726 2.782 1.00 0.00 N ATOM 1675 CA ASN B 129 2.347 4.712 2.065 1.00 0.00 C ATOM 1676 C ASN B 129 0.909 5.171 1.842 1.00 0.00 C ATOM 1677 O ASN B 129 0.507 6.235 2.312 1.00 0.00 O ATOM 1678 CB ASN B 129 2.359 3.392 2.839 1.00 0.00 C ATOM 1679 CG ASN B 129 1.867 3.554 4.265 1.00 0.00 C ATOM 1680 OD1 ASN B 129 2.516 4.201 5.087 1.00 0.00 O ATOM 1681 ND2 ASN B 129 0.715 2.965 4.563 1.00 0.00 N ATOM 0 H ASN B 129 2.647 6.097 3.611 1.00 0.00 H new ATOM 0 HA ASN B 129 2.815 4.560 1.093 1.00 0.00 H new ATOM 0 HB2 ASN B 129 1.733 2.665 2.322 1.00 0.00 H new ATOM 0 HB3 ASN B 129 3.372 2.990 2.850 1.00 0.00 H new ATOM 0 HD21 ASN B 129 0.333 3.039 5.506 1.00 0.00 H new ATOM 0 HD22 ASN B 129 0.212 2.439 3.849 1.00 0.00 H new TER 1688 ASN B 129