USER MOD reduce.3.24.130724 H: found=0, std=0, add=1036, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1031 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 64 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 65 SER OG : rot -15:sc= 0.797 USER MOD Set 2.1: A 4 HIS : no HE2:sc= -8.45! C(o=-12!,f=-31!) USER MOD Set 2.2: A 56 GLN : amide:sc= -3.13 K(o=-12,f=-21!) USER MOD Single : A 3 MET CE :methyl -148:sc= -0.145 (180deg=-1.7) USER MOD Single : A 6 HIS : no HD1:sc= -0.0994 X(o=-0.099,f=-0.46) USER MOD Single : A 11 ASN : amide:sc= 0.287 X(o=0.29,f=0) USER MOD Single : A 12 HIS : no HD1:sc= -2.18! C(o=-2.2!,f=-7.6!) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -166:sc= -1.11 (180deg=-1.47) USER MOD Single : A 21 GLN : amide:sc= -0.679 K(o=-0.68,f=-1.5!) USER MOD Single : A 24 LYS NZ :NH3+ -156:sc= -0.0424 (180deg=-0.379) USER MOD Single : A 25 GLN : amide:sc= -0.164 K(o=-0.16,f=-1) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.0449 X(o=-0.045,f=-0.045) USER MOD Single : A 34 SER OG : rot 180:sc= -0.0314 USER MOD Single : A 36 GLN : amide:sc= -1.81! C(o=-1.8!,f=-1.9!) USER MOD Single : A 38 MET CE :methyl 172:sc= -0.107 (180deg=-0.321) USER MOD Single : A 39 GLN :FLIP amide:sc= -3.4! C(o=-5.3!,f=-3.4!) USER MOD Single : A 40 THR OG1 : rot -80:sc= -0.421 USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 47 GLN : amide:sc= -0.112 K(o=-0.11,f=-1.1) USER MOD Single : A 51 THR OG1 : rot -160:sc= -0.459 USER MOD Single : A 53 LYS NZ :NH3+ 160:sc= -0.0206 (180deg=-0.309) USER MOD Single : A 60 GLN : amide:sc= -1.58 X(o=-1.6,f=-1.8!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot -153:sc= -1.29 USER MOD Single : A 69 SER OG : rot 180:sc= 0.0147 USER MOD Single : A 71 HIS : no HE2:sc= -1.8! C(o=-1.8!,f=-16!) USER MOD Single : A 72 HIS : no HD1:sc= -0.148 X(o=-0.15,f=-0.44) USER MOD Single : A 73 GLN :FLIP amide:sc= -1.37! C(o=-2!,f=-1.4!) USER MOD Single : A 74 GLN : amide:sc= -1.73! K(o=-1.7!,f=-2.4) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -49:sc= -1.2 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -41:sc= 1.02 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.0757 X(o=-0.076,f=0) USER MOD Single : A 100 GLN : amide:sc= -11.1! C(o=-11!,f=-18!) USER MOD Single : A 102 ASN : amide:sc= -6.08! C(o=-6.1!,f=-13!) USER MOD Single : A 103 ASN :FLIP amide:sc= -1.47! C(o=-2.3!,f=-1.5!) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 GLN : amide:sc= -0.0336 K(o=-0.034,f=-2!) USER MOD Single : A 107 GLN :FLIP amide:sc= -0.0186 F(o=-2.2!,f=-0.019) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 GLN :FLIP amide:sc= -4.3! C(o=-5.7!,f=-4.3!) USER MOD Single : A 115 GLN : amide:sc= -0.485 X(o=-0.49,f=0) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ -161:sc= -1.31 (180deg=-1.89) USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 4.311 9.266 1.127 1.00 0.00 N ATOM 2 CA PRO A 1 5.682 9.854 1.241 1.00 0.00 C ATOM 3 C PRO A 1 5.875 10.405 2.664 1.00 0.00 C ATOM 4 O PRO A 1 5.350 11.451 3.029 1.00 0.00 O ATOM 5 CB PRO A 1 5.808 10.969 0.185 1.00 0.00 C ATOM 6 CG PRO A 1 4.576 10.863 -0.723 1.00 0.00 C ATOM 7 CD PRO A 1 3.636 9.827 -0.085 1.00 0.00 C ATOM 0 H2 PRO A 1 3.767 9.479 1.963 1.00 0.00 H new ATOM 0 H3 PRO A 1 4.369 8.250 1.059 1.00 0.00 H new ATOM 0 HA PRO A 1 6.453 9.105 1.063 1.00 0.00 H new ATOM 0 HB2 PRO A 1 5.854 11.948 0.661 1.00 0.00 H new ATOM 0 HB3 PRO A 1 6.725 10.852 -0.393 1.00 0.00 H new ATOM 0 HG2 PRO A 1 4.080 11.829 -0.814 1.00 0.00 H new ATOM 0 HG3 PRO A 1 4.863 10.556 -1.729 1.00 0.00 H new ATOM 0 HD2 PRO A 1 2.688 10.291 0.188 1.00 0.00 H new ATOM 0 HD3 PRO A 1 3.408 9.032 -0.795 1.00 0.00 H new ATOM 17 N VAL A 2 6.637 9.717 3.470 1.00 0.00 N ATOM 18 CA VAL A 2 6.865 10.187 4.861 1.00 0.00 C ATOM 19 C VAL A 2 8.222 9.685 5.359 1.00 0.00 C ATOM 20 O VAL A 2 8.573 8.534 5.210 1.00 0.00 O ATOM 21 CB VAL A 2 5.735 9.664 5.758 1.00 0.00 C ATOM 22 CG1 VAL A 2 5.505 8.178 5.473 1.00 0.00 C ATOM 23 CG2 VAL A 2 6.102 9.851 7.234 1.00 0.00 C ATOM 0 H VAL A 2 7.111 8.849 3.222 1.00 0.00 H new ATOM 0 HA VAL A 2 6.868 11.277 4.890 1.00 0.00 H new ATOM 0 HB VAL A 2 4.825 10.224 5.546 1.00 0.00 H new ATOM 0 HG11 VAL A 2 4.703 7.805 6.110 1.00 0.00 H new ATOM 0 HG12 VAL A 2 5.229 8.047 4.427 1.00 0.00 H new ATOM 0 HG13 VAL A 2 6.420 7.622 5.679 1.00 0.00 H new ATOM 0 HG21 VAL A 2 5.293 9.476 7.860 1.00 0.00 H new ATOM 0 HG22 VAL A 2 7.016 9.300 7.454 1.00 0.00 H new ATOM 0 HG23 VAL A 2 6.259 10.910 7.439 1.00 0.00 H new ATOM 33 N MET A 3 8.993 10.555 5.938 1.00 0.00 N ATOM 34 CA MET A 3 10.337 10.173 6.435 1.00 0.00 C ATOM 35 C MET A 3 10.286 9.959 7.949 1.00 0.00 C ATOM 36 O MET A 3 9.615 10.677 8.663 1.00 0.00 O ATOM 37 CB MET A 3 11.292 11.315 6.090 1.00 0.00 C ATOM 38 CG MET A 3 11.398 11.417 4.562 1.00 0.00 C ATOM 39 SD MET A 3 12.681 12.615 4.118 1.00 0.00 S ATOM 40 CE MET A 3 11.906 14.071 4.862 1.00 0.00 C ATOM 0 H MET A 3 8.744 11.532 6.090 1.00 0.00 H new ATOM 0 HA MET A 3 10.675 9.244 5.975 1.00 0.00 H new ATOM 0 HB2 MET A 3 10.927 12.253 6.508 1.00 0.00 H new ATOM 0 HB3 MET A 3 12.274 11.132 6.526 1.00 0.00 H new ATOM 0 HG2 MET A 3 11.636 10.441 4.138 1.00 0.00 H new ATOM 0 HG3 MET A 3 10.440 11.723 4.141 1.00 0.00 H new ATOM 0 HE1 MET A 3 12.163 14.957 4.281 1.00 0.00 H new ATOM 0 HE2 MET A 3 10.824 13.943 4.869 1.00 0.00 H new ATOM 0 HE3 MET A 3 12.264 14.191 5.885 1.00 0.00 H new ATOM 50 N HIS A 4 10.986 8.974 8.445 1.00 0.00 N ATOM 51 CA HIS A 4 10.975 8.710 9.914 1.00 0.00 C ATOM 52 C HIS A 4 12.295 8.035 10.325 1.00 0.00 C ATOM 53 O HIS A 4 12.339 6.828 10.454 1.00 0.00 O ATOM 54 CB HIS A 4 9.812 7.773 10.244 1.00 0.00 C ATOM 55 CG HIS A 4 9.896 6.542 9.384 1.00 0.00 C ATOM 56 ND1 HIS A 4 10.075 6.610 8.012 1.00 0.00 N ATOM 57 CD2 HIS A 4 9.823 5.205 9.687 1.00 0.00 C ATOM 58 CE1 HIS A 4 10.103 5.348 7.544 1.00 0.00 C ATOM 59 NE2 HIS A 4 9.954 4.453 8.524 1.00 0.00 N ATOM 0 H HIS A 4 11.566 8.340 7.896 1.00 0.00 H new ATOM 0 HA HIS A 4 10.862 9.651 10.453 1.00 0.00 H new ATOM 0 HB2 HIS A 4 9.843 7.496 11.298 1.00 0.00 H new ATOM 0 HB3 HIS A 4 8.863 8.282 10.076 1.00 0.00 H new ATOM 0 HD1 HIS A 4 10.169 7.461 7.458 1.00 0.00 H new ATOM 0 HD2 HIS A 4 9.685 4.799 10.678 1.00 0.00 H new ATOM 0 HE1 HIS A 4 10.230 5.091 6.503 1.00 0.00 H new ATOM 67 N PRO A 5 13.336 8.817 10.530 1.00 0.00 N ATOM 68 CA PRO A 5 14.641 8.262 10.935 1.00 0.00 C ATOM 69 C PRO A 5 14.507 7.590 12.310 1.00 0.00 C ATOM 70 O PRO A 5 13.968 8.160 13.238 1.00 0.00 O ATOM 71 CB PRO A 5 15.590 9.486 10.990 1.00 0.00 C ATOM 72 CG PRO A 5 14.784 10.723 10.499 1.00 0.00 C ATOM 73 CD PRO A 5 13.310 10.287 10.366 1.00 0.00 C ATOM 0 HA PRO A 5 15.016 7.501 10.250 1.00 0.00 H new ATOM 0 HB2 PRO A 5 15.954 9.644 12.005 1.00 0.00 H new ATOM 0 HB3 PRO A 5 16.464 9.323 10.359 1.00 0.00 H new ATOM 0 HG2 PRO A 5 14.878 11.548 11.205 1.00 0.00 H new ATOM 0 HG3 PRO A 5 15.168 11.077 9.542 1.00 0.00 H new ATOM 0 HD2 PRO A 5 12.687 10.759 11.126 1.00 0.00 H new ATOM 0 HD3 PRO A 5 12.899 10.570 9.397 1.00 0.00 H new ATOM 81 N HIS A 6 14.984 6.380 12.444 1.00 0.00 N ATOM 82 CA HIS A 6 14.876 5.672 13.753 1.00 0.00 C ATOM 83 C HIS A 6 15.294 6.611 14.887 1.00 0.00 C ATOM 84 O HIS A 6 16.456 6.700 15.231 1.00 0.00 O ATOM 85 CB HIS A 6 15.791 4.446 13.746 1.00 0.00 C ATOM 86 CG HIS A 6 15.391 3.526 12.625 1.00 0.00 C ATOM 87 ND1 HIS A 6 14.106 3.512 12.104 1.00 0.00 N ATOM 88 CD2 HIS A 6 16.093 2.584 11.917 1.00 0.00 C ATOM 89 CE1 HIS A 6 14.076 2.588 11.126 1.00 0.00 C ATOM 90 NE2 HIS A 6 15.262 1.992 10.970 1.00 0.00 N ATOM 0 H HIS A 6 15.444 5.852 11.703 1.00 0.00 H new ATOM 0 HA HIS A 6 13.844 5.358 13.907 1.00 0.00 H new ATOM 0 HB2 HIS A 6 16.829 4.755 13.624 1.00 0.00 H new ATOM 0 HB3 HIS A 6 15.724 3.924 14.700 1.00 0.00 H new ATOM 0 HD2 HIS A 6 17.133 2.339 12.071 1.00 0.00 H new ATOM 0 HE1 HIS A 6 13.200 2.356 10.539 1.00 0.00 H new ATOM 0 HE2 HIS A 6 15.506 1.261 10.301 1.00 0.00 H new ATOM 98 N GLY A 7 14.351 7.306 15.475 1.00 0.00 N ATOM 99 CA GLY A 7 14.681 8.241 16.597 1.00 0.00 C ATOM 100 C GLY A 7 13.937 9.567 16.412 1.00 0.00 C ATOM 101 O GLY A 7 13.215 10.007 17.285 1.00 0.00 O ATOM 0 H GLY A 7 13.363 7.266 15.225 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.405 7.790 17.550 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.756 8.419 16.628 1.00 0.00 H new ATOM 105 N ALA A 8 14.124 10.222 15.297 1.00 0.00 N ATOM 106 CA ALA A 8 13.444 11.531 15.083 1.00 0.00 C ATOM 107 C ALA A 8 11.922 11.309 14.949 1.00 0.00 C ATOM 108 O ALA A 8 11.464 10.187 15.038 1.00 0.00 O ATOM 109 CB ALA A 8 14.020 12.183 13.809 1.00 0.00 C ATOM 0 H ALA A 8 14.716 9.908 14.528 1.00 0.00 H new ATOM 0 HA ALA A 8 13.616 12.193 15.932 1.00 0.00 H new ATOM 0 HB1 ALA A 8 13.532 13.143 13.639 1.00 0.00 H new ATOM 0 HB2 ALA A 8 15.092 12.338 13.932 1.00 0.00 H new ATOM 0 HB3 ALA A 8 13.844 11.530 12.954 1.00 0.00 H new ATOM 115 N PRO A 9 11.174 12.381 14.744 1.00 0.00 N ATOM 116 CA PRO A 9 9.715 12.299 14.606 1.00 0.00 C ATOM 117 C PRO A 9 9.385 11.942 13.157 1.00 0.00 C ATOM 118 O PRO A 9 10.259 11.975 12.313 1.00 0.00 O ATOM 119 CB PRO A 9 9.221 13.731 14.906 1.00 0.00 C ATOM 120 CG PRO A 9 10.475 14.650 14.927 1.00 0.00 C ATOM 121 CD PRO A 9 11.694 13.754 14.631 1.00 0.00 C ATOM 0 HA PRO A 9 9.260 11.555 15.261 1.00 0.00 H new ATOM 0 HB2 PRO A 9 8.513 14.062 14.146 1.00 0.00 H new ATOM 0 HB3 PRO A 9 8.701 13.767 15.863 1.00 0.00 H new ATOM 0 HG2 PRO A 9 10.387 15.440 14.181 1.00 0.00 H new ATOM 0 HG3 PRO A 9 10.580 15.137 15.896 1.00 0.00 H new ATOM 0 HD2 PRO A 9 12.096 13.946 13.636 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.501 13.933 15.341 1.00 0.00 H new ATOM 129 N PRO A 10 8.139 11.658 12.882 1.00 0.00 N ATOM 130 CA PRO A 10 7.741 11.362 11.509 1.00 0.00 C ATOM 131 C PRO A 10 7.921 12.614 10.643 1.00 0.00 C ATOM 132 O PRO A 10 7.089 13.500 10.630 1.00 0.00 O ATOM 133 CB PRO A 10 6.252 10.952 11.602 1.00 0.00 C ATOM 134 CG PRO A 10 5.804 11.160 13.077 1.00 0.00 C ATOM 135 CD PRO A 10 7.052 11.575 13.887 1.00 0.00 C ATOM 0 HA PRO A 10 8.339 10.573 11.053 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.645 11.556 10.928 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.121 9.912 11.304 1.00 0.00 H new ATOM 0 HG2 PRO A 10 5.034 11.929 13.139 1.00 0.00 H new ATOM 0 HG3 PRO A 10 5.373 10.243 13.480 1.00 0.00 H new ATOM 0 HD2 PRO A 10 6.900 12.532 14.387 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.283 10.844 14.662 1.00 0.00 H new ATOM 143 N ASN A 11 8.998 12.686 9.920 1.00 0.00 N ATOM 144 CA ASN A 11 9.232 13.873 9.055 1.00 0.00 C ATOM 145 C ASN A 11 8.385 13.731 7.788 1.00 0.00 C ATOM 146 O ASN A 11 8.873 13.377 6.735 1.00 0.00 O ATOM 147 CB ASN A 11 10.728 13.959 8.704 1.00 0.00 C ATOM 148 CG ASN A 11 11.475 14.748 9.786 1.00 0.00 C ATOM 149 OD1 ASN A 11 11.828 15.893 9.586 1.00 0.00 O ATOM 150 ND2 ASN A 11 11.730 14.177 10.932 1.00 0.00 N ATOM 0 H ASN A 11 9.728 11.974 9.889 1.00 0.00 H new ATOM 0 HA ASN A 11 8.946 14.788 9.574 1.00 0.00 H new ATOM 0 HB2 ASN A 11 11.148 12.957 8.617 1.00 0.00 H new ATOM 0 HB3 ASN A 11 10.856 14.443 7.736 1.00 0.00 H new ATOM 0 HD21 ASN A 11 12.226 14.692 11.659 1.00 0.00 H new ATOM 0 HD22 ASN A 11 11.434 13.216 11.100 1.00 0.00 H new ATOM 157 N HIS A 12 7.110 14.002 7.891 1.00 0.00 N ATOM 158 CA HIS A 12 6.223 13.879 6.704 1.00 0.00 C ATOM 159 C HIS A 12 6.586 14.956 5.686 1.00 0.00 C ATOM 160 O HIS A 12 7.002 16.037 6.051 1.00 0.00 O ATOM 161 CB HIS A 12 4.765 14.058 7.133 1.00 0.00 C ATOM 162 CG HIS A 12 3.868 13.867 5.941 1.00 0.00 C ATOM 163 ND1 HIS A 12 4.278 13.181 4.809 1.00 0.00 N ATOM 164 CD2 HIS A 12 2.579 14.268 5.689 1.00 0.00 C ATOM 165 CE1 HIS A 12 3.255 13.189 3.936 1.00 0.00 C ATOM 166 NE2 HIS A 12 2.194 13.839 4.422 1.00 0.00 N ATOM 0 H HIS A 12 6.647 14.303 8.749 1.00 0.00 H new ATOM 0 HA HIS A 12 6.352 12.894 6.256 1.00 0.00 H new ATOM 0 HB2 HIS A 12 4.512 13.338 7.912 1.00 0.00 H new ATOM 0 HB3 HIS A 12 4.618 15.051 7.557 1.00 0.00 H new ATOM 0 HD2 HIS A 12 1.958 14.831 6.370 1.00 0.00 H new ATOM 0 HE1 HIS A 12 3.287 12.726 2.961 1.00 0.00 H new ATOM 0 HE2 HIS A 12 1.295 13.989 3.963 1.00 0.00 H new ATOM 174 N ARG A 13 6.433 14.675 4.407 1.00 0.00 N ATOM 175 CA ARG A 13 6.771 15.702 3.363 1.00 0.00 C ATOM 176 C ARG A 13 5.493 16.072 2.581 1.00 0.00 C ATOM 177 O ARG A 13 5.187 15.434 1.593 1.00 0.00 O ATOM 178 CB ARG A 13 7.817 15.119 2.401 1.00 0.00 C ATOM 179 CG ARG A 13 7.311 13.805 1.766 1.00 0.00 C ATOM 180 CD ARG A 13 8.480 12.825 1.589 1.00 0.00 C ATOM 181 NE ARG A 13 9.566 13.481 0.807 1.00 0.00 N ATOM 182 CZ ARG A 13 10.764 12.964 0.796 1.00 0.00 C ATOM 183 NH1 ARG A 13 11.012 11.877 1.473 1.00 0.00 N ATOM 184 NH2 ARG A 13 11.715 13.536 0.109 1.00 0.00 N ATOM 0 H ARG A 13 6.091 13.785 4.044 1.00 0.00 H new ATOM 0 HA ARG A 13 7.175 16.596 3.839 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.040 15.844 1.618 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.747 14.933 2.938 1.00 0.00 H new ATOM 0 HG2 ARG A 13 6.543 13.358 2.397 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.849 14.012 0.801 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.857 12.512 2.563 1.00 0.00 H new ATOM 0 HD3 ARG A 13 8.140 11.926 1.075 1.00 0.00 H new ATOM 0 HE ARG A 13 9.373 14.333 0.281 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.269 11.431 2.011 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.949 11.473 1.464 1.00 0.00 H new ATOM 0 HH21 ARG A 13 11.522 14.387 -0.419 1.00 0.00 H new ATOM 0 HH22 ARG A 13 12.652 13.132 0.100 1.00 0.00 H new ATOM 198 N PRO A 14 4.765 17.083 3.037 1.00 0.00 N ATOM 199 CA PRO A 14 3.521 17.500 2.360 1.00 0.00 C ATOM 200 C PRO A 14 3.858 18.097 0.982 1.00 0.00 C ATOM 201 O PRO A 14 4.148 17.380 0.047 1.00 0.00 O ATOM 202 CB PRO A 14 2.879 18.533 3.330 1.00 0.00 C ATOM 203 CG PRO A 14 3.915 18.834 4.447 1.00 0.00 C ATOM 204 CD PRO A 14 5.109 17.880 4.239 1.00 0.00 C ATOM 0 HA PRO A 14 2.830 16.681 2.161 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.614 19.446 2.797 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.959 18.136 3.758 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.241 19.873 4.398 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.472 18.685 5.432 1.00 0.00 H new ATOM 0 HD2 PRO A 14 6.035 18.435 4.092 1.00 0.00 H new ATOM 0 HD3 PRO A 14 5.257 17.239 5.108 1.00 0.00 H new ATOM 212 N TRP A 15 3.811 19.393 0.853 1.00 0.00 N ATOM 213 CA TRP A 15 4.116 20.054 -0.450 1.00 0.00 C ATOM 214 C TRP A 15 2.987 19.770 -1.448 1.00 0.00 C ATOM 215 O TRP A 15 2.827 20.472 -2.426 1.00 0.00 O ATOM 216 CB TRP A 15 5.456 19.535 -1.002 1.00 0.00 C ATOM 217 CG TRP A 15 6.046 20.543 -1.942 1.00 0.00 C ATOM 218 CD1 TRP A 15 6.527 21.754 -1.579 1.00 0.00 C ATOM 219 CD2 TRP A 15 6.221 20.447 -3.385 1.00 0.00 C ATOM 220 NE1 TRP A 15 6.988 22.408 -2.708 1.00 0.00 N ATOM 221 CE2 TRP A 15 6.821 21.643 -3.846 1.00 0.00 C ATOM 222 CE3 TRP A 15 5.921 19.449 -4.330 1.00 0.00 C ATOM 223 CZ2 TRP A 15 7.113 21.842 -5.196 1.00 0.00 C ATOM 224 CZ3 TRP A 15 6.214 19.646 -5.689 1.00 0.00 C ATOM 225 CH2 TRP A 15 6.808 20.840 -6.121 1.00 0.00 C ATOM 0 H TRP A 15 3.570 20.035 1.608 1.00 0.00 H new ATOM 0 HA TRP A 15 4.194 21.130 -0.298 1.00 0.00 H new ATOM 0 HB2 TRP A 15 6.147 19.342 -0.181 1.00 0.00 H new ATOM 0 HB3 TRP A 15 5.304 18.588 -1.520 1.00 0.00 H new ATOM 0 HD1 TRP A 15 6.548 22.146 -0.573 1.00 0.00 H new ATOM 0 HE1 TRP A 15 7.401 23.341 -2.701 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.463 18.526 -4.008 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 7.571 22.764 -5.523 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 5.980 18.873 -6.406 1.00 0.00 H new ATOM 0 HH2 TRP A 15 7.030 20.985 -7.168 1.00 0.00 H new ATOM 236 N GLN A 16 2.200 18.754 -1.206 1.00 0.00 N ATOM 237 CA GLN A 16 1.081 18.435 -2.140 1.00 0.00 C ATOM 238 C GLN A 16 0.294 17.233 -1.610 1.00 0.00 C ATOM 239 O GLN A 16 0.194 16.217 -2.270 1.00 0.00 O ATOM 240 CB GLN A 16 1.653 18.082 -3.519 1.00 0.00 C ATOM 241 CG GLN A 16 2.827 17.115 -3.353 1.00 0.00 C ATOM 242 CD GLN A 16 3.311 16.657 -4.731 1.00 0.00 C ATOM 243 OE1 GLN A 16 2.928 17.216 -5.739 1.00 0.00 O ATOM 244 NE2 GLN A 16 4.145 15.657 -4.816 1.00 0.00 N ATOM 0 H GLN A 16 2.284 18.132 -0.402 1.00 0.00 H new ATOM 0 HA GLN A 16 0.423 19.301 -2.219 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.880 17.629 -4.140 1.00 0.00 H new ATOM 0 HB3 GLN A 16 1.983 18.987 -4.030 1.00 0.00 H new ATOM 0 HG2 GLN A 16 3.640 17.602 -2.814 1.00 0.00 H new ATOM 0 HG3 GLN A 16 2.521 16.254 -2.759 1.00 0.00 H new ATOM 0 HE21 GLN A 16 4.467 15.188 -3.969 1.00 0.00 H new ATOM 0 HE22 GLN A 16 4.475 15.345 -5.729 1.00 0.00 H new ATOM 253 N MET A 17 -0.260 17.317 -0.426 1.00 0.00 N ATOM 254 CA MET A 17 -1.016 16.143 0.099 1.00 0.00 C ATOM 255 C MET A 17 -2.308 15.994 -0.705 1.00 0.00 C ATOM 256 O MET A 17 -3.076 15.070 -0.511 1.00 0.00 O ATOM 257 CB MET A 17 -1.335 16.332 1.588 1.00 0.00 C ATOM 258 CG MET A 17 -1.884 17.746 1.837 1.00 0.00 C ATOM 259 SD MET A 17 -0.505 18.894 2.084 1.00 0.00 S ATOM 260 CE MET A 17 -1.476 20.422 2.065 1.00 0.00 C ATOM 0 H MET A 17 -0.223 18.131 0.188 1.00 0.00 H new ATOM 0 HA MET A 17 -0.411 15.242 -0.004 1.00 0.00 H new ATOM 0 HB2 MET A 17 -2.065 15.589 1.908 1.00 0.00 H new ATOM 0 HB3 MET A 17 -0.436 16.173 2.183 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.491 18.066 0.990 1.00 0.00 H new ATOM 0 HG3 MET A 17 -2.533 17.747 2.713 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.813 21.276 2.204 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.991 20.514 1.109 1.00 0.00 H new ATOM 0 HE3 MET A 17 -2.209 20.397 2.871 1.00 0.00 H new ATOM 270 N LYS A 18 -2.535 16.886 -1.635 1.00 0.00 N ATOM 271 CA LYS A 18 -3.756 16.781 -2.475 1.00 0.00 C ATOM 272 C LYS A 18 -3.702 15.434 -3.190 1.00 0.00 C ATOM 273 O LYS A 18 -4.646 14.997 -3.818 1.00 0.00 O ATOM 274 CB LYS A 18 -3.787 17.920 -3.500 1.00 0.00 C ATOM 275 CG LYS A 18 -2.630 17.761 -4.491 1.00 0.00 C ATOM 276 CD LYS A 18 -2.473 19.052 -5.303 1.00 0.00 C ATOM 277 CE LYS A 18 -1.613 18.784 -6.540 1.00 0.00 C ATOM 278 NZ LYS A 18 -0.251 18.353 -6.117 1.00 0.00 N ATOM 0 H LYS A 18 -1.928 17.678 -1.845 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.654 16.855 -1.861 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.738 17.915 -4.033 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.712 18.881 -2.991 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.706 17.540 -3.956 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.821 16.920 -5.158 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.452 19.425 -5.603 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.012 19.825 -4.689 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.075 18.013 -7.156 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.547 19.684 -7.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.396 18.400 -6.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.094 18.982 -5.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.291 17.376 -5.762 1.00 0.00 H new ATOM 292 N ASP A 19 -2.585 14.775 -3.067 1.00 0.00 N ATOM 293 CA ASP A 19 -2.400 13.443 -3.694 1.00 0.00 C ATOM 294 C ASP A 19 -3.520 12.501 -3.248 1.00 0.00 C ATOM 295 O ASP A 19 -4.450 12.196 -3.976 1.00 0.00 O ATOM 296 CB ASP A 19 -1.068 12.875 -3.201 1.00 0.00 C ATOM 297 CG ASP A 19 -0.855 11.481 -3.796 1.00 0.00 C ATOM 298 OD1 ASP A 19 -1.330 11.248 -4.895 1.00 0.00 O ATOM 299 OD2 ASP A 19 -0.219 10.671 -3.142 1.00 0.00 O ATOM 0 H ASP A 19 -1.776 15.114 -2.546 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.415 13.537 -4.780 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.250 13.534 -3.491 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.064 12.822 -2.112 1.00 0.00 H new ATOM 304 N LEU A 20 -3.418 12.040 -2.029 1.00 0.00 N ATOM 305 CA LEU A 20 -4.432 11.110 -1.475 1.00 0.00 C ATOM 306 C LEU A 20 -5.813 11.768 -1.478 1.00 0.00 C ATOM 307 O LEU A 20 -6.813 11.115 -1.690 1.00 0.00 O ATOM 308 CB LEU A 20 -4.023 10.725 -0.045 1.00 0.00 C ATOM 309 CG LEU A 20 -4.136 11.946 0.913 1.00 0.00 C ATOM 310 CD1 LEU A 20 -5.445 11.889 1.714 1.00 0.00 C ATOM 311 CD2 LEU A 20 -2.961 11.944 1.902 1.00 0.00 C ATOM 0 H LEU A 20 -2.661 12.276 -1.388 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.484 10.213 -2.092 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.659 9.916 0.314 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.999 10.350 -0.044 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.120 12.852 0.308 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.504 12.752 2.377 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.292 11.900 1.028 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.470 10.974 2.306 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.046 12.801 2.570 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.980 11.025 2.487 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.022 12.005 1.352 1.00 0.00 H new ATOM 323 N GLN A 21 -5.893 13.053 -1.246 1.00 0.00 N ATOM 324 CA GLN A 21 -7.234 13.708 -1.249 1.00 0.00 C ATOM 325 C GLN A 21 -7.977 13.306 -2.523 1.00 0.00 C ATOM 326 O GLN A 21 -9.127 12.915 -2.489 1.00 0.00 O ATOM 327 CB GLN A 21 -7.074 15.228 -1.210 1.00 0.00 C ATOM 328 CG GLN A 21 -6.283 15.628 0.037 1.00 0.00 C ATOM 329 CD GLN A 21 -7.106 15.314 1.287 1.00 0.00 C ATOM 330 OE1 GLN A 21 -8.320 15.342 1.253 1.00 0.00 O ATOM 331 NE2 GLN A 21 -6.492 15.014 2.399 1.00 0.00 N ATOM 0 H GLN A 21 -5.102 13.668 -1.058 1.00 0.00 H new ATOM 0 HA GLN A 21 -7.797 13.390 -0.372 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -6.558 15.573 -2.106 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -8.053 15.707 -1.201 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -5.336 15.089 0.068 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -6.044 16.691 0.004 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -5.473 14.990 2.428 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -7.031 14.803 3.239 1.00 0.00 H new ATOM 340 N ALA A 22 -7.321 13.389 -3.648 1.00 0.00 N ATOM 341 CA ALA A 22 -7.987 13.000 -4.920 1.00 0.00 C ATOM 342 C ALA A 22 -8.453 11.547 -4.807 1.00 0.00 C ATOM 343 O ALA A 22 -9.529 11.188 -5.262 1.00 0.00 O ATOM 344 CB ALA A 22 -7.014 13.150 -6.091 1.00 0.00 C ATOM 0 H ALA A 22 -6.357 13.708 -3.740 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.844 13.649 -5.100 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.512 12.863 -7.017 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.687 14.187 -6.162 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.149 12.507 -5.930 1.00 0.00 H new ATOM 350 N ILE A 23 -7.694 10.702 -4.159 1.00 0.00 N ATOM 351 CA ILE A 23 -8.183 9.306 -4.011 1.00 0.00 C ATOM 352 C ILE A 23 -9.474 9.370 -3.184 1.00 0.00 C ATOM 353 O ILE A 23 -10.545 9.083 -3.681 1.00 0.00 O ATOM 354 CB ILE A 23 -7.132 8.416 -3.328 1.00 0.00 C ATOM 355 CG1 ILE A 23 -6.028 8.057 -4.336 1.00 0.00 C ATOM 356 CG2 ILE A 23 -7.789 7.124 -2.835 1.00 0.00 C ATOM 357 CD1 ILE A 23 -5.494 9.327 -5.000 1.00 0.00 C ATOM 0 H ILE A 23 -6.788 10.910 -3.740 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.372 8.862 -4.988 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.704 8.957 -2.484 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.218 7.533 -3.829 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -6.422 7.379 -5.093 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.040 6.496 -2.352 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.576 7.366 -2.120 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.219 6.589 -3.681 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.712 9.064 -5.713 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.306 9.833 -5.522 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.083 9.990 -4.239 1.00 0.00 H new ATOM 369 N LYS A 24 -9.381 9.787 -1.937 1.00 0.00 N ATOM 370 CA LYS A 24 -10.595 9.929 -1.063 1.00 0.00 C ATOM 371 C LYS A 24 -11.795 10.414 -1.875 1.00 0.00 C ATOM 372 O LYS A 24 -12.875 9.879 -1.760 1.00 0.00 O ATOM 373 CB LYS A 24 -10.292 10.963 0.033 1.00 0.00 C ATOM 374 CG LYS A 24 -9.336 10.363 1.083 1.00 0.00 C ATOM 375 CD LYS A 24 -10.135 9.615 2.171 1.00 0.00 C ATOM 376 CE LYS A 24 -10.556 10.589 3.278 1.00 0.00 C ATOM 377 NZ LYS A 24 -9.361 10.971 4.082 1.00 0.00 N ATOM 0 H LYS A 24 -8.502 10.038 -1.484 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.833 8.958 -0.629 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -9.845 11.853 -0.410 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -11.219 11.277 0.512 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.638 9.679 0.600 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.742 11.155 1.539 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -11.017 9.150 1.730 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.528 8.813 2.592 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.013 11.477 2.842 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.306 10.126 3.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.663 11.275 5.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.724 10.153 4.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.861 11.752 3.611 1.00 0.00 H new ATOM 391 N GLN A 25 -11.643 11.439 -2.656 1.00 0.00 N ATOM 392 CA GLN A 25 -12.817 11.950 -3.425 1.00 0.00 C ATOM 393 C GLN A 25 -13.584 10.768 -4.047 1.00 0.00 C ATOM 394 O GLN A 25 -14.809 10.683 -4.037 1.00 0.00 O ATOM 395 CB GLN A 25 -12.319 12.854 -4.559 1.00 0.00 C ATOM 396 CG GLN A 25 -11.827 14.185 -3.980 1.00 0.00 C ATOM 397 CD GLN A 25 -11.207 15.031 -5.093 1.00 0.00 C ATOM 398 OE1 GLN A 25 -11.544 14.875 -6.250 1.00 0.00 O ATOM 399 NE2 GLN A 25 -10.309 15.928 -4.790 1.00 0.00 N ATOM 0 H GLN A 25 -10.769 11.945 -2.799 1.00 0.00 H new ATOM 0 HA GLN A 25 -13.472 12.506 -2.754 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.512 12.362 -5.102 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -13.122 13.032 -5.274 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -12.657 14.722 -3.521 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.092 14.003 -3.196 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -10.026 16.059 -3.819 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -9.890 16.498 -5.524 1.00 0.00 H new ATOM 408 N GLU A 26 -12.829 9.851 -4.612 1.00 0.00 N ATOM 409 CA GLU A 26 -13.441 8.666 -5.287 1.00 0.00 C ATOM 410 C GLU A 26 -13.628 7.464 -4.327 1.00 0.00 C ATOM 411 O GLU A 26 -14.447 6.586 -4.596 1.00 0.00 O ATOM 412 CB GLU A 26 -12.536 8.259 -6.482 1.00 0.00 C ATOM 413 CG GLU A 26 -13.284 8.428 -7.813 1.00 0.00 C ATOM 414 CD GLU A 26 -12.363 8.033 -8.969 1.00 0.00 C ATOM 415 OE1 GLU A 26 -11.596 8.876 -9.404 1.00 0.00 O ATOM 416 OE2 GLU A 26 -12.440 6.894 -9.399 1.00 0.00 O ATOM 0 H GLU A 26 -11.810 9.876 -4.632 1.00 0.00 H new ATOM 0 HA GLU A 26 -14.436 8.946 -5.632 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.634 8.871 -6.486 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.218 7.223 -6.367 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -14.180 7.808 -7.820 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -13.610 9.461 -7.931 1.00 0.00 H new ATOM 423 N VAL A 27 -12.961 7.400 -3.193 1.00 0.00 N ATOM 424 CA VAL A 27 -13.234 6.226 -2.320 1.00 0.00 C ATOM 425 C VAL A 27 -14.684 6.383 -1.883 1.00 0.00 C ATOM 426 O VAL A 27 -15.457 5.453 -1.787 1.00 0.00 O ATOM 427 CB VAL A 27 -12.301 6.170 -1.088 1.00 0.00 C ATOM 428 CG1 VAL A 27 -10.856 6.487 -1.503 1.00 0.00 C ATOM 429 CG2 VAL A 27 -12.759 7.135 0.013 1.00 0.00 C ATOM 0 H VAL A 27 -12.276 8.075 -2.853 1.00 0.00 H new ATOM 0 HA VAL A 27 -13.054 5.296 -2.860 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.346 5.159 -0.683 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -10.208 6.445 -0.627 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -10.520 5.756 -2.239 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.813 7.486 -1.938 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.079 7.067 0.862 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.757 8.154 -0.373 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -13.767 6.870 0.333 1.00 0.00 H new ATOM 439 N SER A 28 -15.036 7.640 -1.677 1.00 0.00 N ATOM 440 CA SER A 28 -16.428 7.998 -1.304 1.00 0.00 C ATOM 441 C SER A 28 -17.287 7.385 -2.387 1.00 0.00 C ATOM 442 O SER A 28 -17.931 6.395 -2.150 1.00 0.00 O ATOM 443 CB SER A 28 -16.601 9.517 -1.273 1.00 0.00 C ATOM 444 OG SER A 28 -17.903 9.831 -0.797 1.00 0.00 O ATOM 0 H SER A 28 -14.400 8.433 -1.756 1.00 0.00 H new ATOM 0 HA SER A 28 -16.696 7.635 -0.312 1.00 0.00 H new ATOM 0 HB2 SER A 28 -15.847 9.968 -0.628 1.00 0.00 H new ATOM 0 HB3 SER A 28 -16.456 9.932 -2.271 1.00 0.00 H new ATOM 0 HG SER A 28 -18.017 10.804 -0.774 1.00 0.00 H new ATOM 450 N GLN A 29 -17.280 7.987 -3.569 1.00 0.00 N ATOM 451 CA GLN A 29 -18.065 7.459 -4.752 1.00 0.00 C ATOM 452 C GLN A 29 -18.656 6.066 -4.486 1.00 0.00 C ATOM 453 O GLN A 29 -19.826 5.810 -4.692 1.00 0.00 O ATOM 454 CB GLN A 29 -17.091 7.307 -5.925 1.00 0.00 C ATOM 455 CG GLN A 29 -17.874 7.092 -7.226 1.00 0.00 C ATOM 456 CD GLN A 29 -18.530 8.408 -7.653 1.00 0.00 C ATOM 457 OE1 GLN A 29 -17.865 9.306 -8.130 1.00 0.00 O ATOM 458 NE2 GLN A 29 -19.818 8.562 -7.502 1.00 0.00 N ATOM 0 H GLN A 29 -16.753 8.838 -3.766 1.00 0.00 H new ATOM 0 HA GLN A 29 -18.880 8.155 -4.952 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.466 8.196 -6.009 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -16.423 6.464 -5.748 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -17.206 6.736 -8.010 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -18.635 6.325 -7.082 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -20.378 7.809 -7.102 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -20.264 9.435 -7.784 1.00 0.00 H new ATOM 467 N ALA A 30 -17.814 5.162 -4.024 1.00 0.00 N ATOM 468 CA ALA A 30 -18.269 3.761 -3.730 1.00 0.00 C ATOM 469 C ALA A 30 -18.906 3.637 -2.344 1.00 0.00 C ATOM 470 O ALA A 30 -19.300 4.597 -1.716 1.00 0.00 O ATOM 471 CB ALA A 30 -17.063 2.826 -3.750 1.00 0.00 C ATOM 0 H ALA A 30 -16.827 5.338 -3.838 1.00 0.00 H new ATOM 0 HA ALA A 30 -19.007 3.501 -4.489 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -17.388 1.808 -3.537 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -16.593 2.859 -4.733 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -16.344 3.143 -2.994 1.00 0.00 H new ATOM 477 N ALA A 31 -18.992 2.421 -1.876 1.00 0.00 N ATOM 478 CA ALA A 31 -19.572 2.142 -0.534 1.00 0.00 C ATOM 479 C ALA A 31 -18.456 2.379 0.506 1.00 0.00 C ATOM 480 O ALA A 31 -17.373 2.778 0.126 1.00 0.00 O ATOM 481 CB ALA A 31 -20.055 0.677 -0.543 1.00 0.00 C ATOM 0 H ALA A 31 -18.677 1.592 -2.380 1.00 0.00 H new ATOM 0 HA ALA A 31 -20.417 2.785 -0.287 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -20.489 0.431 0.426 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -20.807 0.547 -1.321 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -19.211 0.017 -0.741 1.00 0.00 H new ATOM 487 N PRO A 32 -18.721 2.152 1.779 1.00 0.00 N ATOM 488 CA PRO A 32 -17.691 2.372 2.814 1.00 0.00 C ATOM 489 C PRO A 32 -16.546 1.364 2.615 1.00 0.00 C ATOM 490 O PRO A 32 -16.075 0.741 3.546 1.00 0.00 O ATOM 491 CB PRO A 32 -18.428 2.161 4.161 1.00 0.00 C ATOM 492 CG PRO A 32 -19.896 1.763 3.832 1.00 0.00 C ATOM 493 CD PRO A 32 -20.025 1.677 2.295 1.00 0.00 C ATOM 0 HA PRO A 32 -17.239 3.363 2.773 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -17.941 1.381 4.747 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -18.402 3.072 4.759 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -20.145 0.806 4.291 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -20.591 2.500 4.234 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -20.230 0.656 1.972 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -20.844 2.297 1.931 1.00 0.00 H new ATOM 501 N GLY A 33 -16.100 1.200 1.395 1.00 0.00 N ATOM 502 CA GLY A 33 -14.997 0.237 1.108 1.00 0.00 C ATOM 503 C GLY A 33 -15.300 -0.479 -0.203 1.00 0.00 C ATOM 504 O GLY A 33 -15.190 0.081 -1.274 1.00 0.00 O ATOM 0 H GLY A 33 -16.457 1.697 0.579 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -14.045 0.763 1.040 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -14.905 -0.485 1.920 1.00 0.00 H new ATOM 508 N SER A 34 -15.700 -1.712 -0.119 1.00 0.00 N ATOM 509 CA SER A 34 -16.038 -2.479 -1.344 1.00 0.00 C ATOM 510 C SER A 34 -14.794 -2.556 -2.257 1.00 0.00 C ATOM 511 O SER A 34 -13.853 -1.824 -2.047 1.00 0.00 O ATOM 512 CB SER A 34 -17.192 -1.745 -2.051 1.00 0.00 C ATOM 513 OG SER A 34 -16.765 -1.271 -3.323 1.00 0.00 O ATOM 0 H SER A 34 -15.808 -2.227 0.755 1.00 0.00 H new ATOM 0 HA SER A 34 -16.344 -3.497 -1.101 1.00 0.00 H new ATOM 0 HB2 SER A 34 -18.041 -2.418 -2.171 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.531 -0.910 -1.438 1.00 0.00 H new ATOM 0 HG SER A 34 -17.506 -0.807 -3.765 1.00 0.00 H new ATOM 519 N PRO A 35 -14.821 -3.408 -3.258 1.00 0.00 N ATOM 520 CA PRO A 35 -13.687 -3.526 -4.206 1.00 0.00 C ATOM 521 C PRO A 35 -13.390 -2.165 -4.850 1.00 0.00 C ATOM 522 O PRO A 35 -12.251 -1.764 -4.987 1.00 0.00 O ATOM 523 CB PRO A 35 -14.171 -4.539 -5.274 1.00 0.00 C ATOM 524 CG PRO A 35 -15.574 -5.053 -4.835 1.00 0.00 C ATOM 525 CD PRO A 35 -15.961 -4.308 -3.536 1.00 0.00 C ATOM 0 HA PRO A 35 -12.768 -3.851 -3.718 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -14.226 -4.065 -6.254 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -13.469 -5.369 -5.361 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -16.311 -4.868 -5.616 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -15.552 -6.130 -4.667 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -16.886 -3.746 -3.664 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -16.123 -5.005 -2.714 1.00 0.00 H new ATOM 533 N GLN A 36 -14.404 -1.476 -5.268 1.00 0.00 N ATOM 534 CA GLN A 36 -14.208 -0.159 -5.936 1.00 0.00 C ATOM 535 C GLN A 36 -13.151 0.698 -5.215 1.00 0.00 C ATOM 536 O GLN A 36 -12.401 1.422 -5.850 1.00 0.00 O ATOM 537 CB GLN A 36 -15.535 0.581 -5.930 1.00 0.00 C ATOM 538 CG GLN A 36 -15.445 1.831 -6.816 1.00 0.00 C ATOM 539 CD GLN A 36 -16.853 2.343 -7.129 1.00 0.00 C ATOM 540 OE1 GLN A 36 -17.143 3.508 -6.943 1.00 0.00 O ATOM 541 NE2 GLN A 36 -17.746 1.517 -7.602 1.00 0.00 N ATOM 0 H GLN A 36 -15.377 -1.769 -5.176 1.00 0.00 H new ATOM 0 HA GLN A 36 -13.856 -0.335 -6.953 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -16.327 -0.074 -6.291 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -15.797 0.866 -4.911 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -14.870 2.606 -6.310 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -14.919 1.596 -7.741 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -17.504 0.539 -7.759 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -18.686 1.850 -7.815 1.00 0.00 H new ATOM 550 N PHE A 37 -13.082 0.645 -3.903 1.00 0.00 N ATOM 551 CA PHE A 37 -12.081 1.477 -3.170 1.00 0.00 C ATOM 552 C PHE A 37 -10.724 1.326 -3.873 1.00 0.00 C ATOM 553 O PHE A 37 -10.046 2.268 -4.226 1.00 0.00 O ATOM 554 CB PHE A 37 -11.968 0.929 -1.720 1.00 0.00 C ATOM 555 CG PHE A 37 -12.509 1.932 -0.710 1.00 0.00 C ATOM 556 CD1 PHE A 37 -13.780 2.496 -0.892 1.00 0.00 C ATOM 557 CD2 PHE A 37 -11.745 2.284 0.411 1.00 0.00 C ATOM 558 CE1 PHE A 37 -14.283 3.409 0.043 1.00 0.00 C ATOM 559 CE2 PHE A 37 -12.249 3.198 1.344 1.00 0.00 C ATOM 560 CZ PHE A 37 -13.518 3.759 1.161 1.00 0.00 C ATOM 0 H PHE A 37 -13.676 0.062 -3.313 1.00 0.00 H new ATOM 0 HA PHE A 37 -12.379 2.525 -3.154 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -12.520 -0.008 -1.638 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -10.926 0.706 -1.493 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -14.372 2.226 -1.754 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -10.767 1.850 0.555 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -15.262 3.843 -0.099 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -11.658 3.470 2.206 1.00 0.00 H new ATOM 0 HZ PHE A 37 -13.907 4.462 1.883 1.00 0.00 H new ATOM 570 N MET A 38 -10.370 0.074 -4.059 1.00 0.00 N ATOM 571 CA MET A 38 -9.095 -0.299 -4.725 1.00 0.00 C ATOM 572 C MET A 38 -9.029 0.327 -6.111 1.00 0.00 C ATOM 573 O MET A 38 -7.983 0.762 -6.543 1.00 0.00 O ATOM 574 CB MET A 38 -8.992 -1.824 -4.852 1.00 0.00 C ATOM 575 CG MET A 38 -7.717 -2.198 -5.639 1.00 0.00 C ATOM 576 SD MET A 38 -8.121 -2.387 -7.396 1.00 0.00 S ATOM 577 CE MET A 38 -6.637 -3.305 -7.878 1.00 0.00 C ATOM 0 H MET A 38 -10.935 -0.723 -3.765 1.00 0.00 H new ATOM 0 HA MET A 38 -8.266 0.069 -4.120 1.00 0.00 H new ATOM 0 HB2 MET A 38 -8.966 -2.280 -3.862 1.00 0.00 H new ATOM 0 HB3 MET A 38 -9.873 -2.216 -5.361 1.00 0.00 H new ATOM 0 HG2 MET A 38 -6.959 -1.426 -5.511 1.00 0.00 H new ATOM 0 HG3 MET A 38 -7.296 -3.125 -5.250 1.00 0.00 H new ATOM 0 HE1 MET A 38 -6.742 -3.653 -8.906 1.00 0.00 H new ATOM 0 HE2 MET A 38 -5.766 -2.654 -7.803 1.00 0.00 H new ATOM 0 HE3 MET A 38 -6.508 -4.162 -7.216 1.00 0.00 H new ATOM 587 N GLN A 39 -10.129 0.396 -6.807 1.00 0.00 N ATOM 588 CA GLN A 39 -10.118 1.012 -8.166 1.00 0.00 C ATOM 589 C GLN A 39 -9.333 2.328 -8.112 1.00 0.00 C ATOM 590 O GLN A 39 -8.499 2.618 -8.944 1.00 0.00 O ATOM 591 CB GLN A 39 -11.568 1.290 -8.582 1.00 0.00 C ATOM 592 CG GLN A 39 -11.654 1.475 -10.101 1.00 0.00 C ATOM 593 CD GLN A 39 -10.854 2.710 -10.518 1.00 0.00 C ATOM 594 OE1 GLN A 39 -10.041 2.630 -11.535 1.00 0.00 O flip ATOM 595 NE2 GLN A 39 -10.971 3.757 -9.914 1.00 0.00 N flip ATOM 0 H GLN A 39 -11.037 0.052 -6.494 1.00 0.00 H new ATOM 0 HA GLN A 39 -9.647 0.343 -8.886 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -12.208 0.464 -8.272 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -11.934 2.184 -8.078 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -11.266 0.591 -10.607 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -12.695 1.585 -10.405 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -11.607 3.819 -9.119 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -10.433 4.575 -10.202 1.00 0.00 H new ATOM 604 N THR A 40 -9.618 3.122 -7.120 1.00 0.00 N ATOM 605 CA THR A 40 -8.915 4.432 -6.961 1.00 0.00 C ATOM 606 C THR A 40 -7.535 4.217 -6.322 1.00 0.00 C ATOM 607 O THR A 40 -6.586 4.862 -6.722 1.00 0.00 O ATOM 608 CB THR A 40 -9.782 5.375 -6.121 1.00 0.00 C ATOM 609 OG1 THR A 40 -11.152 5.128 -6.407 1.00 0.00 O ATOM 610 CG2 THR A 40 -9.458 6.829 -6.432 1.00 0.00 C ATOM 0 H THR A 40 -10.315 2.921 -6.403 1.00 0.00 H new ATOM 0 HA THR A 40 -8.758 4.888 -7.938 1.00 0.00 H new ATOM 0 HB THR A 40 -9.577 5.191 -5.066 1.00 0.00 H new ATOM 0 HG1 THR A 40 -11.398 5.577 -7.243 1.00 0.00 H new ATOM 0 HG21 THR A 40 -10.086 7.480 -5.824 1.00 0.00 H new ATOM 0 HG22 THR A 40 -8.409 7.024 -6.208 1.00 0.00 H new ATOM 0 HG23 THR A 40 -9.646 7.026 -7.487 1.00 0.00 H new ATOM 618 N ILE A 41 -7.358 3.314 -5.408 1.00 0.00 N ATOM 619 CA ILE A 41 -5.967 3.111 -4.888 1.00 0.00 C ATOM 620 C ILE A 41 -5.190 2.370 -5.973 1.00 0.00 C ATOM 621 O ILE A 41 -3.990 2.197 -5.890 1.00 0.00 O ATOM 622 CB ILE A 41 -5.963 2.285 -3.598 1.00 0.00 C ATOM 623 CG1 ILE A 41 -6.885 2.944 -2.547 1.00 0.00 C ATOM 624 CG2 ILE A 41 -4.530 2.162 -3.067 1.00 0.00 C ATOM 625 CD1 ILE A 41 -6.111 3.985 -1.722 1.00 0.00 C ATOM 0 H ILE A 41 -8.082 2.721 -5.003 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.515 4.075 -4.654 1.00 0.00 H new ATOM 0 HB ILE A 41 -6.342 1.284 -3.806 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.729 3.422 -3.045 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.295 2.181 -1.886 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.531 1.574 -2.149 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.907 1.669 -3.813 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.132 3.155 -2.861 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -6.778 4.437 -0.988 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.282 3.499 -1.208 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.723 4.759 -2.384 1.00 0.00 H new ATOM 637 N ARG A 42 -5.870 1.948 -7.006 1.00 0.00 N ATOM 638 CA ARG A 42 -5.178 1.235 -8.112 1.00 0.00 C ATOM 639 C ARG A 42 -4.476 2.245 -9.014 1.00 0.00 C ATOM 640 O ARG A 42 -3.323 2.084 -9.361 1.00 0.00 O ATOM 641 CB ARG A 42 -6.187 0.468 -8.961 1.00 0.00 C ATOM 642 CG ARG A 42 -5.441 -0.430 -9.954 1.00 0.00 C ATOM 643 CD ARG A 42 -6.445 -1.141 -10.863 1.00 0.00 C ATOM 644 NE ARG A 42 -5.708 -1.956 -11.870 1.00 0.00 N ATOM 645 CZ ARG A 42 -6.333 -2.878 -12.550 1.00 0.00 C ATOM 646 NH1 ARG A 42 -7.605 -3.089 -12.347 1.00 0.00 N ATOM 647 NH2 ARG A 42 -5.686 -3.589 -13.432 1.00 0.00 N ATOM 0 H ARG A 42 -6.875 2.068 -7.129 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.457 0.544 -7.675 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.832 -0.135 -8.322 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -6.831 1.165 -9.497 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.753 0.167 -10.553 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.841 -1.163 -9.416 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -7.100 -1.780 -10.271 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.080 -0.410 -11.364 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.714 -1.793 -12.028 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -8.110 -2.533 -11.657 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.094 -3.810 -12.878 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -4.692 -3.424 -13.590 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.174 -4.310 -13.964 1.00 0.00 H new ATOM 661 N LEU A 43 -5.168 3.276 -9.425 1.00 0.00 N ATOM 662 CA LEU A 43 -4.540 4.276 -10.339 1.00 0.00 C ATOM 663 C LEU A 43 -3.608 5.200 -9.561 1.00 0.00 C ATOM 664 O LEU A 43 -2.777 5.873 -10.134 1.00 0.00 O ATOM 665 CB LEU A 43 -5.632 5.118 -11.004 1.00 0.00 C ATOM 666 CG LEU A 43 -6.731 4.210 -11.564 1.00 0.00 C ATOM 667 CD1 LEU A 43 -7.820 5.072 -12.209 1.00 0.00 C ATOM 668 CD2 LEU A 43 -6.136 3.263 -12.615 1.00 0.00 C ATOM 0 H LEU A 43 -6.136 3.468 -9.169 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.965 3.742 -11.095 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -6.058 5.813 -10.280 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.202 5.718 -11.806 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.162 3.621 -10.754 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.604 4.429 -12.609 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -8.246 5.741 -11.461 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.387 5.661 -13.017 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.921 2.619 -13.011 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.702 3.847 -13.427 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.361 2.650 -12.155 1.00 0.00 H new ATOM 680 N ALA A 44 -3.715 5.231 -8.265 1.00 0.00 N ATOM 681 CA ALA A 44 -2.804 6.114 -7.469 1.00 0.00 C ATOM 682 C ALA A 44 -1.555 5.328 -7.080 1.00 0.00 C ATOM 683 O ALA A 44 -0.459 5.856 -7.101 1.00 0.00 O ATOM 684 CB ALA A 44 -3.520 6.624 -6.216 1.00 0.00 C ATOM 0 H ALA A 44 -4.386 4.690 -7.720 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.517 6.974 -8.074 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.846 7.264 -5.647 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.402 7.194 -6.508 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.822 5.777 -5.600 1.00 0.00 H new ATOM 690 N VAL A 45 -1.684 4.080 -6.745 1.00 0.00 N ATOM 691 CA VAL A 45 -0.476 3.292 -6.382 1.00 0.00 C ATOM 692 C VAL A 45 0.162 2.736 -7.657 1.00 0.00 C ATOM 693 O VAL A 45 1.347 2.485 -7.709 1.00 0.00 O ATOM 694 CB VAL A 45 -0.878 2.140 -5.454 1.00 0.00 C ATOM 695 CG1 VAL A 45 0.303 1.184 -5.256 1.00 0.00 C ATOM 696 CG2 VAL A 45 -1.290 2.713 -4.098 1.00 0.00 C ATOM 0 H VAL A 45 -2.567 3.572 -6.706 1.00 0.00 H new ATOM 0 HA VAL A 45 0.242 3.931 -5.867 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.708 1.593 -5.901 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.005 0.370 -4.595 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.607 0.776 -6.220 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.138 1.725 -4.812 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.578 1.900 -3.432 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.452 3.259 -3.664 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.134 3.390 -4.230 1.00 0.00 H new ATOM 706 N GLN A 46 -0.600 2.561 -8.701 1.00 0.00 N ATOM 707 CA GLN A 46 -0.013 2.027 -9.961 1.00 0.00 C ATOM 708 C GLN A 46 0.615 3.164 -10.767 1.00 0.00 C ATOM 709 O GLN A 46 1.503 2.947 -11.568 1.00 0.00 O ATOM 710 CB GLN A 46 -1.114 1.369 -10.797 1.00 0.00 C ATOM 711 CG GLN A 46 -0.488 0.656 -11.997 1.00 0.00 C ATOM 712 CD GLN A 46 -1.585 -0.039 -12.806 1.00 0.00 C ATOM 713 OE1 GLN A 46 -2.610 -0.410 -12.268 1.00 0.00 O ATOM 714 NE2 GLN A 46 -1.413 -0.232 -14.085 1.00 0.00 N ATOM 0 H GLN A 46 -1.599 2.764 -8.736 1.00 0.00 H new ATOM 0 HA GLN A 46 0.754 1.293 -9.713 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.671 0.657 -10.188 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.825 2.122 -11.138 1.00 0.00 H new ATOM 0 HG2 GLN A 46 0.042 1.373 -12.624 1.00 0.00 H new ATOM 0 HG3 GLN A 46 0.246 -0.074 -11.657 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -0.553 0.079 -14.537 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.139 -0.694 -14.633 1.00 0.00 H new ATOM 723 N GLN A 47 0.151 4.375 -10.588 1.00 0.00 N ATOM 724 CA GLN A 47 0.718 5.508 -11.378 1.00 0.00 C ATOM 725 C GLN A 47 1.928 6.119 -10.677 1.00 0.00 C ATOM 726 O GLN A 47 3.028 6.124 -11.193 1.00 0.00 O ATOM 727 CB GLN A 47 -0.347 6.593 -11.539 1.00 0.00 C ATOM 728 CG GLN A 47 -1.490 6.063 -12.412 1.00 0.00 C ATOM 729 CD GLN A 47 -1.043 6.023 -13.875 1.00 0.00 C ATOM 730 OE1 GLN A 47 -0.369 6.919 -14.342 1.00 0.00 O ATOM 731 NE2 GLN A 47 -1.393 5.012 -14.624 1.00 0.00 N ATOM 0 H GLN A 47 -0.590 4.626 -9.934 1.00 0.00 H new ATOM 0 HA GLN A 47 1.030 5.122 -12.349 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -0.729 6.890 -10.562 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.090 7.482 -11.994 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.780 5.065 -12.083 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -2.367 6.701 -12.307 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.959 4.259 -14.233 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -1.100 4.975 -15.600 1.00 0.00 H new ATOM 740 N PHE A 48 1.718 6.669 -9.512 1.00 0.00 N ATOM 741 CA PHE A 48 2.834 7.326 -8.776 1.00 0.00 C ATOM 742 C PHE A 48 3.618 6.310 -7.948 1.00 0.00 C ATOM 743 O PHE A 48 4.585 6.674 -7.311 1.00 0.00 O ATOM 744 CB PHE A 48 2.254 8.391 -7.842 1.00 0.00 C ATOM 745 CG PHE A 48 3.376 9.162 -7.190 1.00 0.00 C ATOM 746 CD1 PHE A 48 3.945 10.260 -7.846 1.00 0.00 C ATOM 747 CD2 PHE A 48 3.846 8.781 -5.927 1.00 0.00 C ATOM 748 CE1 PHE A 48 4.983 10.977 -7.240 1.00 0.00 C ATOM 749 CE2 PHE A 48 4.885 9.497 -5.321 1.00 0.00 C ATOM 750 CZ PHE A 48 5.454 10.595 -5.977 1.00 0.00 C ATOM 0 H PHE A 48 0.816 6.691 -9.036 1.00 0.00 H new ATOM 0 HA PHE A 48 3.511 7.778 -9.501 1.00 0.00 H new ATOM 0 HB2 PHE A 48 1.612 9.070 -8.403 1.00 0.00 H new ATOM 0 HB3 PHE A 48 1.632 7.921 -7.080 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.583 10.554 -8.820 1.00 0.00 H new ATOM 0 HD2 PHE A 48 3.407 7.934 -5.420 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.421 11.825 -7.746 1.00 0.00 H new ATOM 0 HE2 PHE A 48 5.248 9.202 -4.347 1.00 0.00 H new ATOM 0 HZ PHE A 48 6.256 11.147 -5.510 1.00 0.00 H new ATOM 760 N ASP A 49 3.228 5.045 -7.968 1.00 0.00 N ATOM 761 CA ASP A 49 3.968 3.984 -7.183 1.00 0.00 C ATOM 762 C ASP A 49 4.807 4.593 -6.046 1.00 0.00 C ATOM 763 O ASP A 49 6.020 4.581 -6.114 1.00 0.00 O ATOM 764 CB ASP A 49 4.912 3.236 -8.118 1.00 0.00 C ATOM 765 CG ASP A 49 4.119 2.635 -9.280 1.00 0.00 C ATOM 766 OD1 ASP A 49 3.807 3.371 -10.203 1.00 0.00 O ATOM 767 OD2 ASP A 49 3.836 1.450 -9.228 1.00 0.00 O ATOM 0 H ASP A 49 2.426 4.701 -8.496 1.00 0.00 H new ATOM 0 HA ASP A 49 3.224 3.316 -6.750 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.675 3.915 -8.499 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.430 2.447 -7.572 1.00 0.00 H new ATOM 772 N PRO A 50 4.150 5.124 -5.044 1.00 0.00 N ATOM 773 CA PRO A 50 4.854 5.752 -3.915 1.00 0.00 C ATOM 774 C PRO A 50 5.783 4.731 -3.245 1.00 0.00 C ATOM 775 O PRO A 50 5.632 3.537 -3.410 1.00 0.00 O ATOM 776 CB PRO A 50 3.731 6.221 -2.960 1.00 0.00 C ATOM 777 CG PRO A 50 2.373 5.949 -3.671 1.00 0.00 C ATOM 778 CD PRO A 50 2.677 5.140 -4.950 1.00 0.00 C ATOM 0 HA PRO A 50 5.487 6.586 -4.218 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.783 5.684 -2.013 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.839 7.281 -2.731 1.00 0.00 H new ATOM 0 HG2 PRO A 50 1.701 5.394 -3.016 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.875 6.886 -3.919 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.274 4.129 -4.884 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.229 5.605 -5.828 1.00 0.00 H new ATOM 786 N THR A 51 6.733 5.195 -2.481 1.00 0.00 N ATOM 787 CA THR A 51 7.661 4.254 -1.790 1.00 0.00 C ATOM 788 C THR A 51 6.908 3.576 -0.645 1.00 0.00 C ATOM 789 O THR A 51 5.732 3.811 -0.449 1.00 0.00 O ATOM 790 CB THR A 51 8.852 5.037 -1.231 1.00 0.00 C ATOM 791 OG1 THR A 51 8.387 6.012 -0.311 1.00 0.00 O ATOM 792 CG2 THR A 51 9.593 5.727 -2.377 1.00 0.00 C ATOM 0 H THR A 51 6.907 6.184 -2.305 1.00 0.00 H new ATOM 0 HA THR A 51 8.024 3.502 -2.490 1.00 0.00 H new ATOM 0 HB THR A 51 9.530 4.352 -0.722 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.070 6.705 -0.196 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.441 6.284 -1.979 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.951 4.977 -3.083 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.916 6.412 -2.888 1.00 0.00 H new ATOM 800 N ALA A 52 7.558 2.741 0.120 1.00 0.00 N ATOM 801 CA ALA A 52 6.838 2.079 1.242 1.00 0.00 C ATOM 802 C ALA A 52 6.548 3.134 2.313 1.00 0.00 C ATOM 803 O ALA A 52 5.656 3.003 3.134 1.00 0.00 O ATOM 804 CB ALA A 52 7.712 0.969 1.830 1.00 0.00 C ATOM 0 H ALA A 52 8.542 2.492 0.018 1.00 0.00 H new ATOM 0 HA ALA A 52 5.906 1.639 0.887 1.00 0.00 H new ATOM 0 HB1 ALA A 52 7.183 0.486 2.651 1.00 0.00 H new ATOM 0 HB2 ALA A 52 7.933 0.232 1.058 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.643 1.397 2.201 1.00 0.00 H new ATOM 810 N LYS A 53 7.301 4.198 2.286 1.00 0.00 N ATOM 811 CA LYS A 53 7.099 5.294 3.268 1.00 0.00 C ATOM 812 C LYS A 53 5.633 5.696 3.260 1.00 0.00 C ATOM 813 O LYS A 53 4.960 5.649 4.267 1.00 0.00 O ATOM 814 CB LYS A 53 7.945 6.482 2.856 1.00 0.00 C ATOM 815 CG LYS A 53 9.424 6.135 3.030 1.00 0.00 C ATOM 816 CD LYS A 53 10.290 7.307 2.569 1.00 0.00 C ATOM 817 CE LYS A 53 11.756 6.870 2.538 1.00 0.00 C ATOM 818 NZ LYS A 53 11.978 5.959 1.380 1.00 0.00 N ATOM 0 H LYS A 53 8.055 4.354 1.617 1.00 0.00 H new ATOM 0 HA LYS A 53 7.386 4.964 4.266 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.741 6.745 1.818 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.690 7.352 3.462 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.632 5.906 4.075 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.668 5.242 2.454 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.976 7.639 1.579 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.165 8.154 3.244 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.405 7.742 2.458 1.00 0.00 H new ATOM 0 HE3 LYS A 53 12.015 6.364 3.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.992 5.930 1.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.651 5.002 1.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 11.446 6.308 0.557 1.00 0.00 H new ATOM 832 N ASP A 54 5.117 6.043 2.113 1.00 0.00 N ATOM 833 CA ASP A 54 3.675 6.391 2.009 1.00 0.00 C ATOM 834 C ASP A 54 2.862 5.346 2.773 1.00 0.00 C ATOM 835 O ASP A 54 1.972 5.679 3.528 1.00 0.00 O ATOM 836 CB ASP A 54 3.269 6.365 0.531 1.00 0.00 C ATOM 837 CG ASP A 54 1.920 7.066 0.346 1.00 0.00 C ATOM 838 OD1 ASP A 54 1.687 8.054 1.022 1.00 0.00 O ATOM 839 OD2 ASP A 54 1.143 6.603 -0.474 1.00 0.00 O ATOM 0 H ASP A 54 5.638 6.100 1.238 1.00 0.00 H new ATOM 0 HA ASP A 54 3.492 7.381 2.427 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.031 6.859 -0.073 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.204 5.335 0.181 1.00 0.00 H new ATOM 844 N LEU A 55 3.143 4.091 2.583 1.00 0.00 N ATOM 845 CA LEU A 55 2.357 3.049 3.308 1.00 0.00 C ATOM 846 C LEU A 55 2.349 3.356 4.809 1.00 0.00 C ATOM 847 O LEU A 55 1.449 2.967 5.521 1.00 0.00 O ATOM 848 CB LEU A 55 2.978 1.665 3.073 1.00 0.00 C ATOM 849 CG LEU A 55 1.986 0.560 3.500 1.00 0.00 C ATOM 850 CD1 LEU A 55 0.999 0.257 2.364 1.00 0.00 C ATOM 851 CD2 LEU A 55 2.756 -0.721 3.840 1.00 0.00 C ATOM 0 H LEU A 55 3.874 3.740 1.965 1.00 0.00 H new ATOM 0 HA LEU A 55 1.334 3.053 2.931 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.235 1.547 2.020 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.904 1.572 3.640 1.00 0.00 H new ATOM 0 HG LEU A 55 1.435 0.909 4.373 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.307 -0.523 2.681 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.440 1.159 2.118 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.548 -0.080 1.485 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.054 -1.499 4.141 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.313 -1.054 2.964 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.450 -0.523 4.657 1.00 0.00 H new ATOM 863 N GLN A 56 3.337 4.051 5.302 1.00 0.00 N ATOM 864 CA GLN A 56 3.348 4.366 6.765 1.00 0.00 C ATOM 865 C GLN A 56 2.366 5.510 7.064 1.00 0.00 C ATOM 866 O GLN A 56 1.516 5.395 7.926 1.00 0.00 O ATOM 867 CB GLN A 56 4.758 4.768 7.210 1.00 0.00 C ATOM 868 CG GLN A 56 5.684 3.553 7.131 1.00 0.00 C ATOM 869 CD GLN A 56 7.078 3.941 7.627 1.00 0.00 C ATOM 870 OE1 GLN A 56 7.266 5.012 8.169 1.00 0.00 O ATOM 871 NE2 GLN A 56 8.071 3.110 7.463 1.00 0.00 N ATOM 0 H GLN A 56 4.128 4.411 4.768 1.00 0.00 H new ATOM 0 HA GLN A 56 3.042 3.476 7.315 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.137 5.569 6.575 1.00 0.00 H new ATOM 0 HB3 GLN A 56 4.733 5.154 8.229 1.00 0.00 H new ATOM 0 HG2 GLN A 56 5.285 2.738 7.735 1.00 0.00 H new ATOM 0 HG3 GLN A 56 5.739 3.191 6.104 1.00 0.00 H new ATOM 0 HE21 GLN A 56 7.914 2.211 7.008 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.004 3.360 7.790 1.00 0.00 H new ATOM 880 N ASP A 57 2.471 6.613 6.367 1.00 0.00 N ATOM 881 CA ASP A 57 1.537 7.758 6.624 1.00 0.00 C ATOM 882 C ASP A 57 0.254 7.594 5.802 1.00 0.00 C ATOM 883 O ASP A 57 -0.743 8.231 6.075 1.00 0.00 O ATOM 884 CB ASP A 57 2.221 9.079 6.262 1.00 0.00 C ATOM 885 CG ASP A 57 1.226 10.231 6.420 1.00 0.00 C ATOM 886 OD1 ASP A 57 0.414 10.414 5.528 1.00 0.00 O ATOM 887 OD2 ASP A 57 1.293 10.911 7.431 1.00 0.00 O ATOM 0 H ASP A 57 3.160 6.773 5.632 1.00 0.00 H new ATOM 0 HA ASP A 57 1.277 7.767 7.682 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.086 9.241 6.905 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.589 9.041 5.237 1.00 0.00 H new ATOM 892 N LEU A 58 0.245 6.730 4.825 1.00 0.00 N ATOM 893 CA LEU A 58 -1.006 6.520 4.029 1.00 0.00 C ATOM 894 C LEU A 58 -1.833 5.433 4.717 1.00 0.00 C ATOM 895 O LEU A 58 -3.041 5.387 4.589 1.00 0.00 O ATOM 896 CB LEU A 58 -0.661 6.096 2.597 1.00 0.00 C ATOM 897 CG LEU A 58 -1.923 6.134 1.710 1.00 0.00 C ATOM 898 CD1 LEU A 58 -2.149 7.552 1.171 1.00 0.00 C ATOM 899 CD2 LEU A 58 -1.751 5.175 0.526 1.00 0.00 C ATOM 0 H LEU A 58 1.043 6.161 4.541 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.575 7.448 3.977 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.100 6.760 2.187 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.240 5.091 2.599 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.781 5.833 2.311 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.042 7.566 0.547 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.278 8.242 2.005 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.287 7.857 0.578 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.644 5.204 -0.098 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.886 5.477 -0.064 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.601 4.161 0.898 1.00 0.00 H new ATOM 911 N LEU A 59 -1.204 4.585 5.480 1.00 0.00 N ATOM 912 CA LEU A 59 -1.964 3.531 6.215 1.00 0.00 C ATOM 913 C LEU A 59 -2.327 4.077 7.601 1.00 0.00 C ATOM 914 O LEU A 59 -3.187 3.559 8.272 1.00 0.00 O ATOM 915 CB LEU A 59 -1.106 2.263 6.348 1.00 0.00 C ATOM 916 CG LEU A 59 -1.970 1.071 6.819 1.00 0.00 C ATOM 917 CD1 LEU A 59 -2.661 0.407 5.620 1.00 0.00 C ATOM 918 CD2 LEU A 59 -1.080 0.033 7.513 1.00 0.00 C ATOM 0 H LEU A 59 -0.195 4.574 5.628 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.872 3.272 5.670 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.643 2.028 5.390 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.298 2.437 7.058 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.725 1.442 7.513 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.266 -0.431 5.967 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.301 1.134 5.120 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.908 0.045 4.920 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.691 -0.807 7.844 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.323 -0.323 6.814 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.593 0.489 8.375 1.00 0.00 H new ATOM 930 N GLN A 60 -1.676 5.116 8.044 1.00 0.00 N ATOM 931 CA GLN A 60 -1.997 5.683 9.392 1.00 0.00 C ATOM 932 C GLN A 60 -3.021 6.817 9.262 1.00 0.00 C ATOM 933 O GLN A 60 -3.702 7.156 10.210 1.00 0.00 O ATOM 934 CB GLN A 60 -0.715 6.246 10.003 1.00 0.00 C ATOM 935 CG GLN A 60 0.171 5.094 10.487 1.00 0.00 C ATOM 936 CD GLN A 60 1.532 5.642 10.921 1.00 0.00 C ATOM 937 OE1 GLN A 60 2.371 5.943 10.095 1.00 0.00 O ATOM 938 NE2 GLN A 60 1.788 5.787 12.193 1.00 0.00 N ATOM 0 H GLN A 60 -0.936 5.599 7.535 1.00 0.00 H new ATOM 0 HA GLN A 60 -2.413 4.897 10.023 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.180 6.844 9.265 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -0.956 6.907 10.835 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.307 4.579 11.320 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.300 4.361 9.690 1.00 0.00 H new ATOM 0 HE21 GLN A 60 1.084 5.535 12.887 1.00 0.00 H new ATOM 0 HE22 GLN A 60 2.692 6.153 12.493 1.00 0.00 H new ATOM 947 N TYR A 61 -3.134 7.408 8.097 1.00 0.00 N ATOM 948 CA TYR A 61 -4.112 8.528 7.900 1.00 0.00 C ATOM 949 C TYR A 61 -5.325 8.014 7.125 1.00 0.00 C ATOM 950 O TYR A 61 -6.451 8.131 7.567 1.00 0.00 O ATOM 951 CB TYR A 61 -3.441 9.655 7.103 1.00 0.00 C ATOM 952 CG TYR A 61 -2.522 10.444 8.013 1.00 0.00 C ATOM 953 CD1 TYR A 61 -1.387 9.832 8.559 1.00 0.00 C ATOM 954 CD2 TYR A 61 -2.805 11.785 8.311 1.00 0.00 C ATOM 955 CE1 TYR A 61 -0.536 10.558 9.401 1.00 0.00 C ATOM 956 CE2 TYR A 61 -1.953 12.509 9.154 1.00 0.00 C ATOM 957 CZ TYR A 61 -0.819 11.896 9.698 1.00 0.00 C ATOM 958 OH TYR A 61 0.020 12.611 10.529 1.00 0.00 O ATOM 0 H TYR A 61 -2.589 7.163 7.270 1.00 0.00 H new ATOM 0 HA TYR A 61 -4.433 8.906 8.871 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.874 9.238 6.271 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -4.198 10.312 6.676 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -1.168 8.799 8.330 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -3.680 12.259 7.890 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.339 10.085 9.822 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -2.171 13.541 9.384 1.00 0.00 H new ATOM 0 HH TYR A 61 -0.320 13.524 10.630 1.00 0.00 H new ATOM 968 N LEU A 62 -5.107 7.444 5.973 1.00 0.00 N ATOM 969 CA LEU A 62 -6.259 6.924 5.179 1.00 0.00 C ATOM 970 C LEU A 62 -6.973 5.844 5.993 1.00 0.00 C ATOM 971 O LEU A 62 -8.162 5.644 5.836 1.00 0.00 O ATOM 972 CB LEU A 62 -5.774 6.364 3.832 1.00 0.00 C ATOM 973 CG LEU A 62 -6.933 6.329 2.815 1.00 0.00 C ATOM 974 CD1 LEU A 62 -7.052 7.682 2.105 1.00 0.00 C ATOM 975 CD2 LEU A 62 -6.668 5.243 1.765 1.00 0.00 C ATOM 0 H LEU A 62 -4.189 7.315 5.548 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.956 7.735 4.968 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.962 6.980 3.446 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.374 5.360 3.971 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.858 6.113 3.349 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.873 7.646 1.389 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.245 8.463 2.840 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.122 7.900 1.580 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.489 5.222 1.048 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.736 5.461 1.243 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.590 4.273 2.256 1.00 0.00 H new ATOM 987 N CYS A 63 -6.288 5.183 6.892 1.00 0.00 N ATOM 988 CA CYS A 63 -6.967 4.158 7.751 1.00 0.00 C ATOM 989 C CYS A 63 -7.112 4.757 9.153 1.00 0.00 C ATOM 990 O CYS A 63 -7.492 5.901 9.304 1.00 0.00 O ATOM 991 CB CYS A 63 -6.130 2.877 7.809 1.00 0.00 C ATOM 992 SG CYS A 63 -5.404 2.562 6.183 1.00 0.00 S ATOM 0 H CYS A 63 -5.291 5.306 7.070 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.943 3.901 7.340 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -5.344 2.976 8.558 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.753 2.035 8.111 1.00 0.00 H new ATOM 0 HG CYS A 63 -5.196 1.287 6.040 1.00 0.00 H new ATOM 998 N SER A 64 -6.821 4.009 10.181 1.00 0.00 N ATOM 999 CA SER A 64 -6.956 4.574 11.553 1.00 0.00 C ATOM 1000 C SER A 64 -6.271 3.664 12.573 1.00 0.00 C ATOM 1001 O SER A 64 -5.328 4.053 13.232 1.00 0.00 O ATOM 1002 CB SER A 64 -8.435 4.686 11.894 1.00 0.00 C ATOM 1003 OG SER A 64 -8.586 4.839 13.299 1.00 0.00 O ATOM 0 H SER A 64 -6.499 3.042 10.133 1.00 0.00 H new ATOM 0 HA SER A 64 -6.484 5.556 11.585 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.876 5.537 11.375 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.966 3.796 11.555 1.00 0.00 H new ATOM 0 HG SER A 64 -9.538 4.913 13.520 1.00 0.00 H new ATOM 1009 N SER A 65 -6.743 2.457 12.713 1.00 0.00 N ATOM 1010 CA SER A 65 -6.123 1.525 13.697 1.00 0.00 C ATOM 1011 C SER A 65 -6.489 0.086 13.335 1.00 0.00 C ATOM 1012 O SER A 65 -5.704 -0.637 12.749 1.00 0.00 O ATOM 1013 CB SER A 65 -6.642 1.845 15.099 1.00 0.00 C ATOM 1014 OG SER A 65 -6.256 3.166 15.452 1.00 0.00 O ATOM 0 H SER A 65 -7.531 2.075 12.189 1.00 0.00 H new ATOM 0 HA SER A 65 -5.039 1.641 13.675 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.728 1.751 15.128 1.00 0.00 H new ATOM 0 HB3 SER A 65 -6.241 1.132 15.819 1.00 0.00 H new ATOM 0 HG SER A 65 -5.560 3.479 14.837 1.00 0.00 H new ATOM 1020 N LEU A 66 -7.677 -0.344 13.671 1.00 0.00 N ATOM 1021 CA LEU A 66 -8.078 -1.736 13.336 1.00 0.00 C ATOM 1022 C LEU A 66 -7.784 -1.997 11.859 1.00 0.00 C ATOM 1023 O LEU A 66 -6.992 -2.849 11.532 1.00 0.00 O ATOM 1024 CB LEU A 66 -9.583 -1.919 13.618 1.00 0.00 C ATOM 1025 CG LEU A 66 -9.807 -2.321 15.091 1.00 0.00 C ATOM 1026 CD1 LEU A 66 -11.225 -1.934 15.522 1.00 0.00 C ATOM 1027 CD2 LEU A 66 -9.634 -3.838 15.251 1.00 0.00 C ATOM 0 H LEU A 66 -8.382 0.208 14.160 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.516 -2.443 13.946 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -10.116 -0.993 13.402 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.993 -2.684 12.959 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.077 -1.802 15.713 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -11.380 -2.219 16.563 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -11.356 -0.857 15.418 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -11.950 -2.450 14.893 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.794 -4.114 16.293 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -10.360 -4.355 14.623 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.626 -4.123 14.950 1.00 0.00 H new ATOM 1039 N VAL A 67 -8.460 -1.308 10.972 1.00 0.00 N ATOM 1040 CA VAL A 67 -8.261 -1.539 9.504 1.00 0.00 C ATOM 1041 C VAL A 67 -6.789 -1.879 9.210 1.00 0.00 C ATOM 1042 O VAL A 67 -6.488 -2.802 8.479 1.00 0.00 O ATOM 1043 CB VAL A 67 -8.672 -0.283 8.736 1.00 0.00 C ATOM 1044 CG1 VAL A 67 -8.312 -0.436 7.256 1.00 0.00 C ATOM 1045 CG2 VAL A 67 -10.183 -0.081 8.872 1.00 0.00 C ATOM 0 H VAL A 67 -9.147 -0.590 11.203 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.878 -2.379 9.186 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.145 0.579 9.146 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.608 0.463 6.715 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.236 -0.582 7.156 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.835 -1.298 6.842 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.481 0.814 8.326 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.704 -0.946 8.463 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -10.441 0.034 9.925 1.00 0.00 H new ATOM 1055 N ALA A 68 -5.868 -1.154 9.804 1.00 0.00 N ATOM 1056 CA ALA A 68 -4.421 -1.451 9.590 1.00 0.00 C ATOM 1057 C ALA A 68 -4.182 -2.928 9.900 1.00 0.00 C ATOM 1058 O ALA A 68 -3.517 -3.633 9.165 1.00 0.00 O ATOM 1059 CB ALA A 68 -3.577 -0.588 10.532 1.00 0.00 C ATOM 0 H ALA A 68 -6.060 -0.370 10.427 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.140 -1.232 8.560 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.520 -0.805 10.376 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.765 0.466 10.327 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.844 -0.810 11.565 1.00 0.00 H new ATOM 1065 N SER A 69 -4.783 -3.413 10.953 1.00 0.00 N ATOM 1066 CA SER A 69 -4.669 -4.854 11.294 1.00 0.00 C ATOM 1067 C SER A 69 -5.084 -5.668 10.069 1.00 0.00 C ATOM 1068 O SER A 69 -4.296 -6.325 9.421 1.00 0.00 O ATOM 1069 CB SER A 69 -5.658 -5.152 12.432 1.00 0.00 C ATOM 1070 OG SER A 69 -5.468 -4.204 13.474 1.00 0.00 O ATOM 0 H SER A 69 -5.353 -2.864 11.596 1.00 0.00 H new ATOM 0 HA SER A 69 -3.651 -5.104 11.592 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.682 -5.104 12.062 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.503 -6.162 12.810 1.00 0.00 H new ATOM 0 HG SER A 69 -6.097 -4.388 14.202 1.00 0.00 H new ATOM 1076 N LEU A 70 -6.358 -5.611 9.785 1.00 0.00 N ATOM 1077 CA LEU A 70 -6.984 -6.336 8.649 1.00 0.00 C ATOM 1078 C LEU A 70 -6.151 -6.347 7.359 1.00 0.00 C ATOM 1079 O LEU A 70 -5.745 -7.382 6.869 1.00 0.00 O ATOM 1080 CB LEU A 70 -8.305 -5.609 8.321 1.00 0.00 C ATOM 1081 CG LEU A 70 -9.108 -5.326 9.604 1.00 0.00 C ATOM 1082 CD1 LEU A 70 -10.518 -4.866 9.223 1.00 0.00 C ATOM 1083 CD2 LEU A 70 -9.212 -6.594 10.463 1.00 0.00 C ATOM 0 H LEU A 70 -7.022 -5.059 10.328 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.101 -7.373 8.963 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -8.091 -4.672 7.806 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.901 -6.218 7.641 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.597 -4.551 10.175 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.092 -4.664 10.128 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -10.455 -3.958 8.623 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -11.013 -5.648 8.647 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.783 -6.376 11.366 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.715 -7.377 9.896 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.212 -6.930 10.738 1.00 0.00 H new ATOM 1095 N HIS A 71 -6.035 -5.203 6.724 1.00 0.00 N ATOM 1096 CA HIS A 71 -5.397 -5.169 5.381 1.00 0.00 C ATOM 1097 C HIS A 71 -4.004 -5.816 5.391 1.00 0.00 C ATOM 1098 O HIS A 71 -3.701 -6.729 4.619 1.00 0.00 O ATOM 1099 CB HIS A 71 -5.312 -3.714 4.894 1.00 0.00 C ATOM 1100 CG HIS A 71 -4.467 -3.617 3.653 1.00 0.00 C ATOM 1101 ND1 HIS A 71 -4.727 -4.365 2.517 1.00 0.00 N ATOM 1102 CD2 HIS A 71 -3.363 -2.856 3.357 1.00 0.00 C ATOM 1103 CE1 HIS A 71 -3.798 -4.041 1.599 1.00 0.00 C ATOM 1104 NE2 HIS A 71 -2.943 -3.125 2.060 1.00 0.00 N ATOM 0 H HIS A 71 -6.354 -4.302 7.080 1.00 0.00 H new ATOM 0 HA HIS A 71 -6.014 -5.750 4.696 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -6.313 -3.335 4.689 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -4.888 -3.087 5.678 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -5.484 -5.038 2.398 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -2.892 -2.155 4.030 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -3.750 -4.470 0.609 1.00 0.00 H new ATOM 1112 N HIS A 72 -3.118 -5.321 6.228 1.00 0.00 N ATOM 1113 CA HIS A 72 -1.754 -5.896 6.213 1.00 0.00 C ATOM 1114 C HIS A 72 -1.845 -7.342 6.687 1.00 0.00 C ATOM 1115 O HIS A 72 -0.956 -8.138 6.461 1.00 0.00 O ATOM 1116 CB HIS A 72 -0.787 -5.079 7.072 1.00 0.00 C ATOM 1117 CG HIS A 72 0.540 -5.783 7.141 1.00 0.00 C ATOM 1118 ND1 HIS A 72 1.345 -5.955 6.026 1.00 0.00 N ATOM 1119 CD2 HIS A 72 1.217 -6.363 8.185 1.00 0.00 C ATOM 1120 CE1 HIS A 72 2.449 -6.614 6.420 1.00 0.00 C ATOM 1121 NE2 HIS A 72 2.422 -6.888 7.728 1.00 0.00 N ATOM 0 H HIS A 72 -3.282 -4.568 6.896 1.00 0.00 H new ATOM 0 HA HIS A 72 -1.353 -5.866 5.200 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -0.660 -4.083 6.648 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.195 -4.950 8.075 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.867 -6.405 9.206 1.00 0.00 H new ATOM 0 HE1 HIS A 72 3.259 -6.888 5.760 1.00 0.00 H new ATOM 0 HE2 HIS A 72 3.132 -7.377 8.274 1.00 0.00 H new ATOM 1129 N GLN A 73 -2.951 -7.705 7.293 1.00 0.00 N ATOM 1130 CA GLN A 73 -3.120 -9.123 7.714 1.00 0.00 C ATOM 1131 C GLN A 73 -2.866 -9.953 6.461 1.00 0.00 C ATOM 1132 O GLN A 73 -1.993 -10.790 6.422 1.00 0.00 O ATOM 1133 CB GLN A 73 -4.546 -9.373 8.242 1.00 0.00 C ATOM 1134 CG GLN A 73 -4.546 -10.583 9.182 1.00 0.00 C ATOM 1135 CD GLN A 73 -4.116 -11.831 8.409 1.00 0.00 C ATOM 1136 OE1 GLN A 73 -4.707 -12.122 7.283 1.00 0.00 O flip ATOM 1137 NE2 GLN A 73 -3.233 -12.549 8.835 1.00 0.00 N flip ATOM 0 H GLN A 73 -3.732 -7.086 7.510 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.436 -9.383 8.522 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.908 -8.491 8.770 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -5.227 -9.548 7.409 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -3.868 -10.408 10.017 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -5.540 -10.729 9.604 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -2.771 -12.321 9.715 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -2.954 -13.379 8.312 1.00 0.00 H new ATOM 1146 N GLN A 74 -3.634 -9.712 5.427 1.00 0.00 N ATOM 1147 CA GLN A 74 -3.433 -10.472 4.161 1.00 0.00 C ATOM 1148 C GLN A 74 -1.932 -10.482 3.861 1.00 0.00 C ATOM 1149 O GLN A 74 -1.262 -11.480 4.038 1.00 0.00 O ATOM 1150 CB GLN A 74 -4.181 -9.768 3.027 1.00 0.00 C ATOM 1151 CG GLN A 74 -5.687 -9.968 3.214 1.00 0.00 C ATOM 1152 CD GLN A 74 -6.444 -9.193 2.134 1.00 0.00 C ATOM 1153 OE1 GLN A 74 -6.852 -9.757 1.138 1.00 0.00 O ATOM 1154 NE2 GLN A 74 -6.652 -7.915 2.291 1.00 0.00 N ATOM 0 H GLN A 74 -4.387 -9.025 5.407 1.00 0.00 H new ATOM 0 HA GLN A 74 -3.810 -11.490 4.254 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.941 -8.705 3.023 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -3.866 -10.169 2.064 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -5.934 -11.028 3.156 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -5.990 -9.624 4.203 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -6.310 -7.441 3.127 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -7.157 -7.389 1.578 1.00 0.00 H new ATOM 1163 N LEU A 75 -1.394 -9.333 3.464 1.00 0.00 N ATOM 1164 CA LEU A 75 0.089 -9.209 3.207 1.00 0.00 C ATOM 1165 C LEU A 75 0.864 -10.043 4.224 1.00 0.00 C ATOM 1166 O LEU A 75 1.639 -10.896 3.842 1.00 0.00 O ATOM 1167 CB LEU A 75 0.499 -7.731 3.355 1.00 0.00 C ATOM 1168 CG LEU A 75 0.331 -6.985 2.009 1.00 0.00 C ATOM 1169 CD1 LEU A 75 0.107 -5.491 2.268 1.00 0.00 C ATOM 1170 CD2 LEU A 75 1.596 -7.155 1.153 1.00 0.00 C ATOM 0 H LEU A 75 -1.925 -8.476 3.308 1.00 0.00 H new ATOM 0 HA LEU A 75 0.314 -9.566 2.202 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.111 -7.253 4.121 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.535 -7.666 3.687 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.527 -7.403 1.483 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.011 -4.971 1.318 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.792 -5.357 2.869 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.965 -5.082 2.802 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.469 -6.627 0.208 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.454 -6.745 1.686 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.763 -8.214 0.957 1.00 0.00 H new ATOM 1182 N ASP A 76 0.660 -9.803 5.502 1.00 0.00 N ATOM 1183 CA ASP A 76 1.373 -10.588 6.568 1.00 0.00 C ATOM 1184 C ASP A 76 1.732 -11.980 6.042 1.00 0.00 C ATOM 1185 O ASP A 76 2.879 -12.310 5.802 1.00 0.00 O ATOM 1186 CB ASP A 76 0.413 -10.743 7.773 1.00 0.00 C ATOM 1187 CG ASP A 76 1.221 -10.957 9.060 1.00 0.00 C ATOM 1188 OD1 ASP A 76 2.110 -11.793 9.046 1.00 0.00 O ATOM 1189 OD2 ASP A 76 0.936 -10.282 10.036 1.00 0.00 O ATOM 0 H ASP A 76 0.023 -9.089 5.856 1.00 0.00 H new ATOM 0 HA ASP A 76 2.287 -10.070 6.860 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.211 -9.854 7.869 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.257 -11.587 7.609 1.00 0.00 H new ATOM 1194 N SER A 77 0.728 -12.792 5.861 1.00 0.00 N ATOM 1195 CA SER A 77 0.941 -14.162 5.356 1.00 0.00 C ATOM 1196 C SER A 77 1.067 -14.158 3.834 1.00 0.00 C ATOM 1197 O SER A 77 1.736 -15.002 3.273 1.00 0.00 O ATOM 1198 CB SER A 77 -0.262 -15.011 5.730 1.00 0.00 C ATOM 1199 OG SER A 77 -0.300 -15.184 7.141 1.00 0.00 O ATOM 0 H SER A 77 -0.246 -12.552 6.047 1.00 0.00 H new ATOM 0 HA SER A 77 1.856 -14.561 5.794 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.179 -14.532 5.387 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.204 -15.981 5.235 1.00 0.00 H new ATOM 0 HG SER A 77 -1.077 -15.730 7.383 1.00 0.00 H new ATOM 1205 N LEU A 78 0.420 -13.243 3.141 1.00 0.00 N ATOM 1206 CA LEU A 78 0.527 -13.262 1.657 1.00 0.00 C ATOM 1207 C LEU A 78 2.004 -13.326 1.307 1.00 0.00 C ATOM 1208 O LEU A 78 2.464 -14.246 0.661 1.00 0.00 O ATOM 1209 CB LEU A 78 -0.129 -11.999 1.046 1.00 0.00 C ATOM 1210 CG LEU A 78 -0.996 -12.383 -0.154 1.00 0.00 C ATOM 1211 CD1 LEU A 78 -1.916 -11.212 -0.526 1.00 0.00 C ATOM 1212 CD2 LEU A 78 -0.099 -12.723 -1.346 1.00 0.00 C ATOM 0 H LEU A 78 -0.162 -12.504 3.535 1.00 0.00 H new ATOM 0 HA LEU A 78 0.003 -14.126 1.248 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.738 -11.496 1.798 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.642 -11.293 0.736 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.603 -13.251 0.105 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.532 -11.490 -1.381 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.559 -10.971 0.321 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.312 -10.342 -0.782 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.718 -12.997 -2.201 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.510 -11.856 -1.602 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.550 -13.559 -1.086 1.00 0.00 H new ATOM 1224 N ILE A 79 2.769 -12.377 1.785 1.00 0.00 N ATOM 1225 CA ILE A 79 4.224 -12.406 1.548 1.00 0.00 C ATOM 1226 C ILE A 79 4.716 -13.782 1.985 1.00 0.00 C ATOM 1227 O ILE A 79 5.333 -14.502 1.225 1.00 0.00 O ATOM 1228 CB ILE A 79 4.853 -11.285 2.413 1.00 0.00 C ATOM 1229 CG1 ILE A 79 4.830 -9.942 1.652 1.00 0.00 C ATOM 1230 CG2 ILE A 79 6.292 -11.624 2.814 1.00 0.00 C ATOM 1231 CD1 ILE A 79 5.621 -10.021 0.333 1.00 0.00 C ATOM 0 H ILE A 79 2.436 -11.583 2.331 1.00 0.00 H new ATOM 0 HA ILE A 79 4.492 -12.241 0.504 1.00 0.00 H new ATOM 0 HB ILE A 79 4.256 -11.199 3.321 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.798 -9.661 1.441 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.251 -9.159 2.283 1.00 0.00 H new ATOM 0 HG21 ILE A 79 6.701 -10.815 3.420 1.00 0.00 H new ATOM 0 HG22 ILE A 79 6.301 -12.549 3.390 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.900 -11.749 1.918 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.581 -9.057 -0.173 1.00 0.00 H new ATOM 0 HD12 ILE A 79 6.659 -10.277 0.546 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.183 -10.786 -0.308 1.00 0.00 H new ATOM 1243 N SER A 80 4.456 -14.150 3.215 1.00 0.00 N ATOM 1244 CA SER A 80 4.917 -15.478 3.691 1.00 0.00 C ATOM 1245 C SER A 80 4.540 -16.538 2.658 1.00 0.00 C ATOM 1246 O SER A 80 5.341 -17.383 2.305 1.00 0.00 O ATOM 1247 CB SER A 80 4.250 -15.808 5.027 1.00 0.00 C ATOM 1248 OG SER A 80 2.970 -16.374 4.783 1.00 0.00 O ATOM 0 H SER A 80 3.949 -13.590 3.900 1.00 0.00 H new ATOM 0 HA SER A 80 5.999 -15.462 3.825 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.867 -16.506 5.593 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.153 -14.906 5.631 1.00 0.00 H new ATOM 0 HG SER A 80 2.478 -15.810 4.150 1.00 0.00 H new ATOM 1254 N GLU A 81 3.316 -16.531 2.192 1.00 0.00 N ATOM 1255 CA GLU A 81 2.902 -17.569 1.220 1.00 0.00 C ATOM 1256 C GLU A 81 3.483 -17.305 -0.171 1.00 0.00 C ATOM 1257 O GLU A 81 3.602 -18.224 -0.964 1.00 0.00 O ATOM 1258 CB GLU A 81 1.373 -17.583 1.131 1.00 0.00 C ATOM 1259 CG GLU A 81 0.919 -18.742 0.241 1.00 0.00 C ATOM 1260 CD GLU A 81 -0.610 -18.815 0.238 1.00 0.00 C ATOM 1261 OE1 GLU A 81 -1.217 -18.082 -0.525 1.00 0.00 O ATOM 1262 OE2 GLU A 81 -1.147 -19.602 0.999 1.00 0.00 O ATOM 0 H GLU A 81 2.596 -15.854 2.445 1.00 0.00 H new ATOM 0 HA GLU A 81 3.280 -18.531 1.566 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.942 -17.686 2.127 1.00 0.00 H new ATOM 0 HB3 GLU A 81 1.014 -16.637 0.725 1.00 0.00 H new ATOM 0 HG2 GLU A 81 1.289 -18.601 -0.775 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.338 -19.680 0.605 1.00 0.00 H new ATOM 1269 N ALA A 82 3.793 -16.072 -0.538 1.00 0.00 N ATOM 1270 CA ALA A 82 4.289 -15.873 -1.939 1.00 0.00 C ATOM 1271 C ALA A 82 5.790 -16.160 -2.011 1.00 0.00 C ATOM 1272 O ALA A 82 6.294 -16.638 -3.001 1.00 0.00 O ATOM 1273 CB ALA A 82 4.034 -14.449 -2.421 1.00 0.00 C ATOM 0 H ALA A 82 3.727 -15.237 0.043 1.00 0.00 H new ATOM 0 HA ALA A 82 3.745 -16.564 -2.582 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.405 -14.338 -3.440 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.964 -14.244 -2.400 1.00 0.00 H new ATOM 0 HB3 ALA A 82 4.551 -13.746 -1.768 1.00 0.00 H new ATOM 1279 N GLU A 83 6.537 -15.807 -0.982 1.00 0.00 N ATOM 1280 CA GLU A 83 8.009 -16.019 -1.053 1.00 0.00 C ATOM 1281 C GLU A 83 8.313 -17.514 -1.011 1.00 0.00 C ATOM 1282 O GLU A 83 9.153 -18.004 -1.739 1.00 0.00 O ATOM 1283 CB GLU A 83 8.709 -15.300 0.104 1.00 0.00 C ATOM 1284 CG GLU A 83 8.393 -13.804 0.046 1.00 0.00 C ATOM 1285 CD GLU A 83 9.090 -13.090 1.205 1.00 0.00 C ATOM 1286 OE1 GLU A 83 9.125 -13.652 2.288 1.00 0.00 O ATOM 1287 OE2 GLU A 83 9.579 -11.992 0.991 1.00 0.00 O ATOM 0 H GLU A 83 6.191 -15.391 -0.117 1.00 0.00 H new ATOM 0 HA GLU A 83 8.384 -15.605 -1.989 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.379 -15.715 1.056 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.786 -15.457 0.044 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.726 -13.388 -0.905 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.316 -13.647 0.103 1.00 0.00 H new ATOM 1294 N THR A 84 7.620 -18.252 -0.186 1.00 0.00 N ATOM 1295 CA THR A 84 7.863 -19.715 -0.139 1.00 0.00 C ATOM 1296 C THR A 84 7.657 -20.270 -1.548 1.00 0.00 C ATOM 1297 O THR A 84 8.446 -21.044 -2.052 1.00 0.00 O ATOM 1298 CB THR A 84 6.872 -20.370 0.832 1.00 0.00 C ATOM 1299 OG1 THR A 84 7.198 -21.743 0.989 1.00 0.00 O ATOM 1300 CG2 THR A 84 5.453 -20.241 0.305 1.00 0.00 C ATOM 0 H THR A 84 6.903 -17.905 0.451 1.00 0.00 H new ATOM 0 HA THR A 84 8.876 -19.925 0.205 1.00 0.00 H new ATOM 0 HB THR A 84 6.937 -19.865 1.796 1.00 0.00 H new ATOM 0 HG1 THR A 84 6.566 -22.160 1.610 1.00 0.00 H new ATOM 0 HG21 THR A 84 4.761 -20.710 1.004 1.00 0.00 H new ATOM 0 HG22 THR A 84 5.200 -19.186 0.196 1.00 0.00 H new ATOM 0 HG23 THR A 84 5.379 -20.734 -0.664 1.00 0.00 H new ATOM 1308 N ARG A 85 6.574 -19.875 -2.179 1.00 0.00 N ATOM 1309 CA ARG A 85 6.271 -20.367 -3.558 1.00 0.00 C ATOM 1310 C ARG A 85 7.531 -20.379 -4.419 1.00 0.00 C ATOM 1311 O ARG A 85 7.731 -21.272 -5.218 1.00 0.00 O ATOM 1312 CB ARG A 85 5.237 -19.444 -4.220 1.00 0.00 C ATOM 1313 CG ARG A 85 5.003 -19.862 -5.690 1.00 0.00 C ATOM 1314 CD ARG A 85 6.089 -19.287 -6.640 1.00 0.00 C ATOM 1315 NE ARG A 85 5.420 -18.729 -7.851 1.00 0.00 N ATOM 1316 CZ ARG A 85 6.092 -17.982 -8.684 1.00 0.00 C ATOM 1317 NH1 ARG A 85 7.354 -17.735 -8.465 1.00 0.00 N ATOM 1318 NH2 ARG A 85 5.504 -17.490 -9.740 1.00 0.00 N ATOM 0 H ARG A 85 5.885 -19.229 -1.793 1.00 0.00 H new ATOM 0 HA ARG A 85 5.880 -21.381 -3.478 1.00 0.00 H new ATOM 0 HB2 ARG A 85 4.297 -19.486 -3.669 1.00 0.00 H new ATOM 0 HB3 ARG A 85 5.584 -18.411 -4.180 1.00 0.00 H new ATOM 0 HG2 ARG A 85 4.999 -20.950 -5.761 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.020 -19.518 -6.013 1.00 0.00 H new ATOM 0 HD2 ARG A 85 6.661 -18.510 -6.133 1.00 0.00 H new ATOM 0 HD3 ARG A 85 6.794 -20.068 -6.924 1.00 0.00 H new ATOM 0 HE ARG A 85 4.436 -18.932 -8.028 1.00 0.00 H new ATOM 0 HH11 ARG A 85 7.815 -18.126 -7.643 1.00 0.00 H new ATOM 0 HH12 ARG A 85 7.880 -17.151 -9.116 1.00 0.00 H new ATOM 0 HH21 ARG A 85 4.519 -17.689 -9.915 1.00 0.00 H new ATOM 0 HH22 ARG A 85 6.029 -16.906 -10.391 1.00 0.00 H new ATOM 1332 N GLY A 86 8.402 -19.408 -4.263 1.00 0.00 N ATOM 1333 CA GLY A 86 9.647 -19.382 -5.085 1.00 0.00 C ATOM 1334 C GLY A 86 10.029 -17.926 -5.397 1.00 0.00 C ATOM 1335 O GLY A 86 10.969 -17.402 -4.840 1.00 0.00 O ATOM 0 H GLY A 86 8.301 -18.637 -3.603 1.00 0.00 H new ATOM 0 HA2 GLY A 86 10.459 -19.875 -4.550 1.00 0.00 H new ATOM 0 HA3 GLY A 86 9.494 -19.935 -6.012 1.00 0.00 H new ATOM 1339 N ILE A 87 9.346 -17.309 -6.338 1.00 0.00 N ATOM 1340 CA ILE A 87 9.673 -15.911 -6.775 1.00 0.00 C ATOM 1341 C ILE A 87 10.987 -15.949 -7.558 1.00 0.00 C ATOM 1342 O ILE A 87 11.514 -17.005 -7.823 1.00 0.00 O ATOM 1343 CB ILE A 87 9.787 -14.954 -5.569 1.00 0.00 C ATOM 1344 CG1 ILE A 87 8.548 -15.114 -4.679 1.00 0.00 C ATOM 1345 CG2 ILE A 87 9.901 -13.487 -6.043 1.00 0.00 C ATOM 1346 CD1 ILE A 87 7.268 -14.959 -5.509 1.00 0.00 C ATOM 0 H ILE A 87 8.558 -17.727 -6.832 1.00 0.00 H new ATOM 0 HA ILE A 87 8.869 -15.532 -7.406 1.00 0.00 H new ATOM 0 HB ILE A 87 10.685 -15.204 -5.005 1.00 0.00 H new ATOM 0 HG12 ILE A 87 8.561 -16.093 -4.199 1.00 0.00 H new ATOM 0 HG13 ILE A 87 8.565 -14.369 -3.884 1.00 0.00 H new ATOM 0 HG21 ILE A 87 9.980 -12.830 -5.177 1.00 0.00 H new ATOM 0 HG22 ILE A 87 10.788 -13.374 -6.667 1.00 0.00 H new ATOM 0 HG23 ILE A 87 9.015 -13.221 -6.620 1.00 0.00 H new ATOM 0 HD11 ILE A 87 6.399 -15.075 -4.862 1.00 0.00 H new ATOM 0 HD12 ILE A 87 7.249 -13.970 -5.968 1.00 0.00 H new ATOM 0 HD13 ILE A 87 7.245 -15.721 -6.288 1.00 0.00 H new ATOM 1358 N THR A 88 11.489 -14.806 -7.948 1.00 0.00 N ATOM 1359 CA THR A 88 12.769 -14.764 -8.728 1.00 0.00 C ATOM 1360 C THR A 88 13.863 -15.442 -7.897 1.00 0.00 C ATOM 1361 O THR A 88 14.798 -14.812 -7.445 1.00 0.00 O ATOM 1362 CB THR A 88 13.159 -13.311 -9.007 1.00 0.00 C ATOM 1363 OG1 THR A 88 12.042 -12.619 -9.550 1.00 0.00 O ATOM 1364 CG2 THR A 88 14.317 -13.274 -10.005 1.00 0.00 C ATOM 0 H THR A 88 11.069 -13.896 -7.761 1.00 0.00 H new ATOM 0 HA THR A 88 12.644 -15.282 -9.679 1.00 0.00 H new ATOM 0 HB THR A 88 13.468 -12.833 -8.078 1.00 0.00 H new ATOM 0 HG1 THR A 88 12.289 -11.688 -9.728 1.00 0.00 H new ATOM 0 HG21 THR A 88 14.594 -12.238 -10.203 1.00 0.00 H new ATOM 0 HG22 THR A 88 15.173 -13.805 -9.589 1.00 0.00 H new ATOM 0 HG23 THR A 88 14.011 -13.752 -10.936 1.00 0.00 H new ATOM 1372 N SER A 89 13.727 -16.726 -7.673 1.00 0.00 N ATOM 1373 CA SER A 89 14.711 -17.482 -6.842 1.00 0.00 C ATOM 1374 C SER A 89 15.033 -16.666 -5.589 1.00 0.00 C ATOM 1375 O SER A 89 16.000 -16.920 -4.907 1.00 0.00 O ATOM 1376 CB SER A 89 15.983 -17.765 -7.642 1.00 0.00 C ATOM 1377 OG SER A 89 16.888 -18.509 -6.837 1.00 0.00 O ATOM 0 H SER A 89 12.961 -17.291 -8.039 1.00 0.00 H new ATOM 0 HA SER A 89 14.281 -18.440 -6.550 1.00 0.00 H new ATOM 0 HB2 SER A 89 15.741 -18.322 -8.547 1.00 0.00 H new ATOM 0 HB3 SER A 89 16.444 -16.829 -7.958 1.00 0.00 H new ATOM 0 HG SER A 89 16.877 -18.157 -5.922 1.00 0.00 H new ATOM 1383 N TYR A 90 14.193 -15.701 -5.301 1.00 0.00 N ATOM 1384 CA TYR A 90 14.350 -14.816 -4.107 1.00 0.00 C ATOM 1385 C TYR A 90 15.796 -14.323 -3.936 1.00 0.00 C ATOM 1386 O TYR A 90 16.737 -15.086 -3.881 1.00 0.00 O ATOM 1387 CB TYR A 90 13.887 -15.556 -2.853 1.00 0.00 C ATOM 1388 CG TYR A 90 14.671 -16.834 -2.679 1.00 0.00 C ATOM 1389 CD1 TYR A 90 15.898 -16.818 -2.005 1.00 0.00 C ATOM 1390 CD2 TYR A 90 14.168 -18.037 -3.188 1.00 0.00 C ATOM 1391 CE1 TYR A 90 16.622 -18.005 -1.840 1.00 0.00 C ATOM 1392 CE2 TYR A 90 14.892 -19.224 -3.024 1.00 0.00 C ATOM 1393 CZ TYR A 90 16.119 -19.208 -2.350 1.00 0.00 C ATOM 1394 OH TYR A 90 16.832 -20.378 -2.187 1.00 0.00 O ATOM 0 H TYR A 90 13.374 -15.484 -5.869 1.00 0.00 H new ATOM 0 HA TYR A 90 13.729 -13.934 -4.262 1.00 0.00 H new ATOM 0 HB2 TYR A 90 14.017 -14.919 -1.978 1.00 0.00 H new ATOM 0 HB3 TYR A 90 12.823 -15.781 -2.927 1.00 0.00 H new ATOM 0 HD1 TYR A 90 16.286 -15.890 -1.612 1.00 0.00 H new ATOM 0 HD2 TYR A 90 13.221 -18.050 -3.707 1.00 0.00 H new ATOM 0 HE1 TYR A 90 17.568 -17.993 -1.319 1.00 0.00 H new ATOM 0 HE2 TYR A 90 14.504 -20.152 -3.417 1.00 0.00 H new ATOM 0 HH TYR A 90 16.342 -21.120 -2.599 1.00 0.00 H new ATOM 1404 N ASN A 91 15.976 -13.029 -3.858 1.00 0.00 N ATOM 1405 CA ASN A 91 17.348 -12.459 -3.710 1.00 0.00 C ATOM 1406 C ASN A 91 17.358 -11.257 -2.715 1.00 0.00 C ATOM 1407 O ASN A 91 17.894 -11.400 -1.634 1.00 0.00 O ATOM 1408 CB ASN A 91 17.854 -12.047 -5.114 1.00 0.00 C ATOM 1409 CG ASN A 91 18.678 -13.185 -5.739 1.00 0.00 C ATOM 1410 OD1 ASN A 91 18.333 -13.701 -6.783 1.00 0.00 O ATOM 1411 ND2 ASN A 91 19.760 -13.596 -5.133 1.00 0.00 N ATOM 0 H ASN A 91 15.226 -12.339 -3.891 1.00 0.00 H new ATOM 0 HA ASN A 91 18.018 -13.208 -3.289 1.00 0.00 H new ATOM 0 HB2 ASN A 91 17.007 -11.806 -5.757 1.00 0.00 H new ATOM 0 HB3 ASN A 91 18.463 -11.146 -5.039 1.00 0.00 H new ATOM 0 HD21 ASN A 91 20.315 -14.350 -5.537 1.00 0.00 H new ATOM 0 HD22 ASN A 91 20.049 -13.162 -4.256 1.00 0.00 H new ATOM 1418 N PRO A 92 16.783 -10.100 -3.071 1.00 0.00 N ATOM 1419 CA PRO A 92 16.769 -8.920 -2.159 1.00 0.00 C ATOM 1420 C PRO A 92 15.780 -9.093 -1.006 1.00 0.00 C ATOM 1421 O PRO A 92 16.010 -8.583 0.073 1.00 0.00 O ATOM 1422 CB PRO A 92 16.289 -7.766 -3.044 1.00 0.00 C ATOM 1423 CG PRO A 92 15.501 -8.430 -4.195 1.00 0.00 C ATOM 1424 CD PRO A 92 16.109 -9.829 -4.373 1.00 0.00 C ATOM 0 HA PRO A 92 17.750 -8.764 -1.710 1.00 0.00 H new ATOM 0 HB2 PRO A 92 15.658 -7.077 -2.483 1.00 0.00 H new ATOM 0 HB3 PRO A 92 17.130 -7.188 -3.426 1.00 0.00 H new ATOM 0 HG2 PRO A 92 14.440 -8.494 -3.955 1.00 0.00 H new ATOM 0 HG3 PRO A 92 15.586 -7.848 -5.113 1.00 0.00 H new ATOM 0 HD2 PRO A 92 15.342 -10.573 -4.587 1.00 0.00 H new ATOM 0 HD3 PRO A 92 16.817 -9.854 -5.201 1.00 0.00 H new ATOM 1432 N LEU A 93 14.685 -9.777 -1.203 1.00 0.00 N ATOM 1433 CA LEU A 93 13.719 -9.926 -0.073 1.00 0.00 C ATOM 1434 C LEU A 93 14.518 -10.370 1.144 1.00 0.00 C ATOM 1435 O LEU A 93 14.442 -9.763 2.173 1.00 0.00 O ATOM 1436 CB LEU A 93 12.624 -10.943 -0.427 1.00 0.00 C ATOM 1437 CG LEU A 93 12.328 -10.877 -1.945 1.00 0.00 C ATOM 1438 CD1 LEU A 93 13.149 -11.945 -2.669 1.00 0.00 C ATOM 1439 CD2 LEU A 93 10.835 -11.126 -2.197 1.00 0.00 C ATOM 0 H LEU A 93 14.420 -10.231 -2.077 1.00 0.00 H new ATOM 0 HA LEU A 93 13.213 -8.983 0.134 1.00 0.00 H new ATOM 0 HB2 LEU A 93 12.944 -11.948 -0.152 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.718 -10.730 0.140 1.00 0.00 H new ATOM 0 HG LEU A 93 12.596 -9.889 -2.320 1.00 0.00 H new ATOM 0 HD11 LEU A 93 12.942 -11.900 -3.738 1.00 0.00 H new ATOM 0 HD12 LEU A 93 14.210 -11.767 -2.497 1.00 0.00 H new ATOM 0 HD13 LEU A 93 12.880 -12.930 -2.288 1.00 0.00 H new ATOM 0 HD21 LEU A 93 10.634 -11.078 -3.267 1.00 0.00 H new ATOM 0 HD22 LEU A 93 10.562 -12.112 -1.820 1.00 0.00 H new ATOM 0 HD23 LEU A 93 10.247 -10.365 -1.683 1.00 0.00 H new ATOM 1451 N ALA A 94 15.285 -11.422 0.975 1.00 0.00 N ATOM 1452 CA ALA A 94 16.169 -11.981 2.061 1.00 0.00 C ATOM 1453 C ALA A 94 16.265 -10.999 3.240 1.00 0.00 C ATOM 1454 O ALA A 94 15.918 -11.310 4.362 1.00 0.00 O ATOM 1455 CB ALA A 94 17.560 -12.191 1.466 1.00 0.00 C ATOM 0 H ALA A 94 15.339 -11.938 0.097 1.00 0.00 H new ATOM 0 HA ALA A 94 15.753 -12.919 2.430 1.00 0.00 H new ATOM 0 HB1 ALA A 94 18.225 -12.596 2.229 1.00 0.00 H new ATOM 0 HB2 ALA A 94 17.497 -12.890 0.632 1.00 0.00 H new ATOM 0 HB3 ALA A 94 17.952 -11.238 1.112 1.00 0.00 H new ATOM 1461 N GLY A 95 16.708 -9.800 2.964 1.00 0.00 N ATOM 1462 CA GLY A 95 16.804 -8.756 4.035 1.00 0.00 C ATOM 1463 C GLY A 95 15.378 -8.365 4.445 1.00 0.00 C ATOM 1464 O GLY A 95 14.466 -9.135 4.249 1.00 0.00 O ATOM 0 H GLY A 95 17.010 -9.495 2.039 1.00 0.00 H new ATOM 0 HA2 GLY A 95 17.356 -9.140 4.893 1.00 0.00 H new ATOM 0 HA3 GLY A 95 17.348 -7.885 3.670 1.00 0.00 H new ATOM 1468 N PRO A 96 15.187 -7.195 5.009 1.00 0.00 N ATOM 1469 CA PRO A 96 13.827 -6.791 5.390 1.00 0.00 C ATOM 1470 C PRO A 96 13.060 -6.499 4.083 1.00 0.00 C ATOM 1471 O PRO A 96 13.664 -6.468 3.029 1.00 0.00 O ATOM 1472 CB PRO A 96 14.022 -5.529 6.255 1.00 0.00 C ATOM 1473 CG PRO A 96 15.546 -5.185 6.227 1.00 0.00 C ATOM 1474 CD PRO A 96 16.252 -6.248 5.348 1.00 0.00 C ATOM 0 HA PRO A 96 13.261 -7.538 5.946 1.00 0.00 H new ATOM 0 HB2 PRO A 96 13.432 -4.699 5.865 1.00 0.00 H new ATOM 0 HB3 PRO A 96 13.686 -5.706 7.277 1.00 0.00 H new ATOM 0 HG2 PRO A 96 15.705 -4.186 5.821 1.00 0.00 H new ATOM 0 HG3 PRO A 96 15.958 -5.188 7.236 1.00 0.00 H new ATOM 0 HD2 PRO A 96 16.687 -5.801 4.454 1.00 0.00 H new ATOM 0 HD3 PRO A 96 17.063 -6.737 5.888 1.00 0.00 H new ATOM 1482 N LEU A 97 11.772 -6.273 4.095 1.00 0.00 N ATOM 1483 CA LEU A 97 11.082 -5.981 2.796 1.00 0.00 C ATOM 1484 C LEU A 97 11.358 -4.518 2.405 1.00 0.00 C ATOM 1485 O LEU A 97 11.895 -4.241 1.345 1.00 0.00 O ATOM 1486 CB LEU A 97 9.574 -6.220 2.961 1.00 0.00 C ATOM 1487 CG LEU A 97 8.937 -6.554 1.610 1.00 0.00 C ATOM 1488 CD1 LEU A 97 7.442 -6.807 1.809 1.00 0.00 C ATOM 1489 CD2 LEU A 97 9.135 -5.384 0.639 1.00 0.00 C ATOM 0 H LEU A 97 11.177 -6.276 4.924 1.00 0.00 H new ATOM 0 HA LEU A 97 11.456 -6.637 2.010 1.00 0.00 H new ATOM 0 HB2 LEU A 97 9.403 -7.036 3.663 1.00 0.00 H new ATOM 0 HB3 LEU A 97 9.103 -5.333 3.383 1.00 0.00 H new ATOM 0 HG LEU A 97 9.409 -7.445 1.196 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.982 -7.045 0.850 1.00 0.00 H new ATOM 0 HD12 LEU A 97 7.303 -7.642 2.496 1.00 0.00 H new ATOM 0 HD13 LEU A 97 6.974 -5.914 2.224 1.00 0.00 H new ATOM 0 HD21 LEU A 97 8.680 -5.627 -0.321 1.00 0.00 H new ATOM 0 HD22 LEU A 97 8.665 -4.489 1.047 1.00 0.00 H new ATOM 0 HD23 LEU A 97 10.201 -5.203 0.500 1.00 0.00 H new ATOM 1501 N ARG A 98 10.968 -3.586 3.246 1.00 0.00 N ATOM 1502 CA ARG A 98 11.180 -2.126 2.954 1.00 0.00 C ATOM 1503 C ARG A 98 12.537 -1.928 2.253 1.00 0.00 C ATOM 1504 O ARG A 98 12.719 -1.079 1.411 1.00 0.00 O ATOM 1505 CB ARG A 98 11.179 -1.365 4.309 1.00 0.00 C ATOM 1506 CG ARG A 98 10.125 -0.250 4.298 1.00 0.00 C ATOM 1507 CD ARG A 98 10.272 0.610 5.553 1.00 0.00 C ATOM 1508 NE ARG A 98 11.657 1.156 5.622 1.00 0.00 N ATOM 1509 CZ ARG A 98 11.928 2.138 6.437 1.00 0.00 C ATOM 1510 NH1 ARG A 98 10.988 2.635 7.193 1.00 0.00 N ATOM 1511 NH2 ARG A 98 13.139 2.621 6.497 1.00 0.00 N ATOM 0 H ARG A 98 10.505 -3.777 4.135 1.00 0.00 H new ATOM 0 HA ARG A 98 10.391 -1.750 2.302 1.00 0.00 H new ATOM 0 HB2 ARG A 98 10.973 -2.060 5.123 1.00 0.00 H new ATOM 0 HB3 ARG A 98 12.165 -0.940 4.495 1.00 0.00 H new ATOM 0 HG2 ARG A 98 10.243 0.367 3.407 1.00 0.00 H new ATOM 0 HG3 ARG A 98 9.125 -0.682 4.256 1.00 0.00 H new ATOM 0 HD2 ARG A 98 9.549 1.425 5.535 1.00 0.00 H new ATOM 0 HD3 ARG A 98 10.060 0.015 6.441 1.00 0.00 H new ATOM 0 HE ARG A 98 12.391 0.763 5.033 1.00 0.00 H new ATOM 0 HH11 ARG A 98 10.042 2.256 7.147 1.00 0.00 H new ATOM 0 HH12 ARG A 98 11.199 3.403 7.831 1.00 0.00 H new ATOM 0 HH21 ARG A 98 13.874 2.231 5.907 1.00 0.00 H new ATOM 0 HH22 ARG A 98 13.351 3.389 7.134 1.00 0.00 H new ATOM 1525 N VAL A 99 13.464 -2.758 2.621 1.00 0.00 N ATOM 1526 CA VAL A 99 14.831 -2.710 2.027 1.00 0.00 C ATOM 1527 C VAL A 99 14.736 -3.054 0.539 1.00 0.00 C ATOM 1528 O VAL A 99 15.342 -2.407 -0.293 1.00 0.00 O ATOM 1529 CB VAL A 99 15.757 -3.708 2.788 1.00 0.00 C ATOM 1530 CG1 VAL A 99 16.630 -4.527 1.815 1.00 0.00 C ATOM 1531 CG2 VAL A 99 16.684 -2.921 3.729 1.00 0.00 C ATOM 0 H VAL A 99 13.333 -3.486 3.324 1.00 0.00 H new ATOM 0 HA VAL A 99 15.259 -1.712 2.123 1.00 0.00 H new ATOM 0 HB VAL A 99 15.121 -4.394 3.348 1.00 0.00 H new ATOM 0 HG11 VAL A 99 17.262 -5.211 2.381 1.00 0.00 H new ATOM 0 HG12 VAL A 99 15.989 -5.097 1.143 1.00 0.00 H new ATOM 0 HG13 VAL A 99 17.257 -3.852 1.233 1.00 0.00 H new ATOM 0 HG21 VAL A 99 17.333 -3.614 4.263 1.00 0.00 H new ATOM 0 HG22 VAL A 99 17.293 -2.230 3.146 1.00 0.00 H new ATOM 0 HG23 VAL A 99 16.084 -2.360 4.446 1.00 0.00 H new ATOM 1541 N GLN A 100 14.017 -4.075 0.197 1.00 0.00 N ATOM 1542 CA GLN A 100 13.930 -4.460 -1.222 1.00 0.00 C ATOM 1543 C GLN A 100 13.341 -3.313 -2.060 1.00 0.00 C ATOM 1544 O GLN A 100 13.974 -2.834 -2.980 1.00 0.00 O ATOM 1545 CB GLN A 100 13.066 -5.734 -1.328 1.00 0.00 C ATOM 1546 CG GLN A 100 12.330 -5.799 -2.662 1.00 0.00 C ATOM 1547 CD GLN A 100 13.287 -5.475 -3.819 1.00 0.00 C ATOM 1548 OE1 GLN A 100 14.239 -6.179 -4.058 1.00 0.00 O ATOM 1549 NE2 GLN A 100 13.057 -4.425 -4.557 1.00 0.00 N ATOM 0 H GLN A 100 13.485 -4.659 0.842 1.00 0.00 H new ATOM 0 HA GLN A 100 14.926 -4.665 -1.616 1.00 0.00 H new ATOM 0 HB2 GLN A 100 13.699 -6.615 -1.217 1.00 0.00 H new ATOM 0 HB3 GLN A 100 12.344 -5.755 -0.511 1.00 0.00 H new ATOM 0 HG2 GLN A 100 11.904 -6.793 -2.801 1.00 0.00 H new ATOM 0 HG3 GLN A 100 11.499 -5.094 -2.661 1.00 0.00 H new ATOM 0 HE21 GLN A 100 12.254 -3.828 -4.358 1.00 0.00 H new ATOM 0 HE22 GLN A 100 13.680 -4.201 -5.333 1.00 0.00 H new ATOM 1558 N ALA A 101 12.122 -2.910 -1.813 1.00 0.00 N ATOM 1559 CA ALA A 101 11.527 -1.850 -2.687 1.00 0.00 C ATOM 1560 C ALA A 101 12.168 -0.489 -2.420 1.00 0.00 C ATOM 1561 O ALA A 101 12.448 0.242 -3.349 1.00 0.00 O ATOM 1562 CB ALA A 101 10.011 -1.791 -2.500 1.00 0.00 C ATOM 0 H ALA A 101 11.523 -3.257 -1.064 1.00 0.00 H new ATOM 0 HA ALA A 101 11.733 -2.111 -3.725 1.00 0.00 H new ATOM 0 HB1 ALA A 101 9.595 -1.015 -3.143 1.00 0.00 H new ATOM 0 HB2 ALA A 101 9.574 -2.754 -2.764 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.781 -1.562 -1.459 1.00 0.00 H new ATOM 1568 N ASN A 102 12.406 -0.118 -1.198 1.00 0.00 N ATOM 1569 CA ASN A 102 13.041 1.215 -0.971 1.00 0.00 C ATOM 1570 C ASN A 102 14.471 1.192 -1.531 1.00 0.00 C ATOM 1571 O ASN A 102 15.366 1.812 -0.992 1.00 0.00 O ATOM 1572 CB ASN A 102 13.085 1.542 0.523 1.00 0.00 C ATOM 1573 CG ASN A 102 11.703 1.313 1.139 1.00 0.00 C ATOM 1574 OD1 ASN A 102 10.992 0.410 0.746 1.00 0.00 O ATOM 1575 ND2 ASN A 102 11.289 2.102 2.093 1.00 0.00 N ATOM 0 H ASN A 102 12.196 -0.661 -0.361 1.00 0.00 H new ATOM 0 HA ASN A 102 12.452 1.979 -1.478 1.00 0.00 H new ATOM 0 HB2 ASN A 102 13.825 0.915 1.021 1.00 0.00 H new ATOM 0 HB3 ASN A 102 13.393 2.577 0.670 1.00 0.00 H new ATOM 0 HD21 ASN A 102 10.368 1.960 2.509 1.00 0.00 H new ATOM 0 HD22 ASN A 102 11.886 2.860 2.423 1.00 0.00 H new ATOM 1582 N ASN A 103 14.691 0.487 -2.618 1.00 0.00 N ATOM 1583 CA ASN A 103 16.055 0.430 -3.223 1.00 0.00 C ATOM 1584 C ASN A 103 16.168 1.577 -4.244 1.00 0.00 C ATOM 1585 O ASN A 103 15.157 2.052 -4.721 1.00 0.00 O ATOM 1586 CB ASN A 103 16.218 -0.930 -3.929 1.00 0.00 C ATOM 1587 CG ASN A 103 16.857 -1.950 -2.978 1.00 0.00 C ATOM 1588 OD1 ASN A 103 17.974 -1.649 -2.375 1.00 0.00 O flip ATOM 1589 ND2 ASN A 103 16.333 -3.028 -2.784 1.00 0.00 N flip ATOM 0 H ASN A 103 13.979 -0.052 -3.111 1.00 0.00 H new ATOM 0 HA ASN A 103 16.832 0.535 -2.466 1.00 0.00 H new ATOM 0 HB2 ASN A 103 15.246 -1.293 -4.263 1.00 0.00 H new ATOM 0 HB3 ASN A 103 16.837 -0.814 -4.818 1.00 0.00 H new ATOM 0 HD21 ASN A 103 15.460 -3.263 -3.256 1.00 0.00 H new ATOM 0 HD22 ASN A 103 16.766 -3.699 -2.149 1.00 0.00 H new ATOM 1596 N PRO A 104 17.374 2.009 -4.557 1.00 0.00 N ATOM 1597 CA PRO A 104 17.548 3.111 -5.519 1.00 0.00 C ATOM 1598 C PRO A 104 17.037 2.698 -6.911 1.00 0.00 C ATOM 1599 O PRO A 104 16.646 3.536 -7.699 1.00 0.00 O ATOM 1600 CB PRO A 104 19.064 3.403 -5.526 1.00 0.00 C ATOM 1601 CG PRO A 104 19.750 2.273 -4.704 1.00 0.00 C ATOM 1602 CD PRO A 104 18.633 1.470 -3.996 1.00 0.00 C ATOM 0 HA PRO A 104 16.978 3.998 -5.245 1.00 0.00 H new ATOM 0 HB2 PRO A 104 19.448 3.425 -6.546 1.00 0.00 H new ATOM 0 HB3 PRO A 104 19.271 4.379 -5.087 1.00 0.00 H new ATOM 0 HG2 PRO A 104 20.334 1.624 -5.357 1.00 0.00 H new ATOM 0 HG3 PRO A 104 20.441 2.695 -3.974 1.00 0.00 H new ATOM 0 HD2 PRO A 104 18.728 0.402 -4.190 1.00 0.00 H new ATOM 0 HD3 PRO A 104 18.674 1.602 -2.915 1.00 0.00 H new ATOM 1610 N GLN A 105 17.025 1.424 -7.230 1.00 0.00 N ATOM 1611 CA GLN A 105 16.519 1.023 -8.583 1.00 0.00 C ATOM 1612 C GLN A 105 15.995 -0.421 -8.589 1.00 0.00 C ATOM 1613 O GLN A 105 15.337 -0.828 -9.526 1.00 0.00 O ATOM 1614 CB GLN A 105 17.630 1.180 -9.623 1.00 0.00 C ATOM 1615 CG GLN A 105 18.840 0.339 -9.210 1.00 0.00 C ATOM 1616 CD GLN A 105 20.002 0.611 -10.167 1.00 0.00 C ATOM 1617 OE1 GLN A 105 20.987 1.214 -9.790 1.00 0.00 O ATOM 1618 NE2 GLN A 105 19.929 0.188 -11.399 1.00 0.00 N ATOM 0 H GLN A 105 17.336 0.661 -6.629 1.00 0.00 H new ATOM 0 HA GLN A 105 15.686 1.680 -8.835 1.00 0.00 H new ATOM 0 HB2 GLN A 105 17.272 0.864 -10.603 1.00 0.00 H new ATOM 0 HB3 GLN A 105 17.915 2.228 -9.710 1.00 0.00 H new ATOM 0 HG2 GLN A 105 19.132 0.581 -8.188 1.00 0.00 H new ATOM 0 HG3 GLN A 105 18.582 -0.720 -9.226 1.00 0.00 H new ATOM 0 HE21 GLN A 105 19.102 -0.318 -11.716 1.00 0.00 H new ATOM 0 HE22 GLN A 105 20.699 0.364 -12.045 1.00 0.00 H new ATOM 1627 N GLN A 106 16.232 -1.199 -7.566 1.00 0.00 N ATOM 1628 CA GLN A 106 15.678 -2.588 -7.578 1.00 0.00 C ATOM 1629 C GLN A 106 14.166 -2.492 -7.364 1.00 0.00 C ATOM 1630 O GLN A 106 13.587 -3.184 -6.553 1.00 0.00 O ATOM 1631 CB GLN A 106 16.309 -3.425 -6.463 1.00 0.00 C ATOM 1632 CG GLN A 106 17.830 -3.266 -6.506 1.00 0.00 C ATOM 1633 CD GLN A 106 18.477 -4.246 -5.526 1.00 0.00 C ATOM 1634 OE1 GLN A 106 17.829 -5.150 -5.035 1.00 0.00 O ATOM 1635 NE2 GLN A 106 19.738 -4.106 -5.218 1.00 0.00 N ATOM 0 H GLN A 106 16.772 -0.943 -6.740 1.00 0.00 H new ATOM 0 HA GLN A 106 15.901 -3.071 -8.530 1.00 0.00 H new ATOM 0 HB2 GLN A 106 15.926 -3.106 -5.493 1.00 0.00 H new ATOM 0 HB3 GLN A 106 16.039 -4.474 -6.583 1.00 0.00 H new ATOM 0 HG2 GLN A 106 18.197 -3.451 -7.516 1.00 0.00 H new ATOM 0 HG3 GLN A 106 18.106 -2.243 -6.249 1.00 0.00 H new ATOM 0 HE21 GLN A 106 20.282 -3.348 -5.629 1.00 0.00 H new ATOM 0 HE22 GLN A 106 20.179 -4.755 -4.566 1.00 0.00 H new ATOM 1644 N GLN A 107 13.540 -1.610 -8.088 1.00 0.00 N ATOM 1645 CA GLN A 107 12.071 -1.413 -7.946 1.00 0.00 C ATOM 1646 C GLN A 107 11.313 -2.628 -8.504 1.00 0.00 C ATOM 1647 O GLN A 107 10.100 -2.661 -8.510 1.00 0.00 O ATOM 1648 CB GLN A 107 11.652 -0.156 -8.711 1.00 0.00 C ATOM 1649 CG GLN A 107 12.339 1.066 -8.100 1.00 0.00 C ATOM 1650 CD GLN A 107 12.025 2.304 -8.942 1.00 0.00 C ATOM 1651 OE1 GLN A 107 10.781 2.617 -9.180 1.00 0.00 O flip ATOM 1652 NE2 GLN A 107 12.920 2.993 -9.387 1.00 0.00 N flip ATOM 0 H GLN A 107 13.988 -1.010 -8.780 1.00 0.00 H new ATOM 0 HA GLN A 107 11.829 -1.301 -6.889 1.00 0.00 H new ATOM 0 HB2 GLN A 107 11.922 -0.250 -9.763 1.00 0.00 H new ATOM 0 HB3 GLN A 107 10.569 -0.036 -8.670 1.00 0.00 H new ATOM 0 HG2 GLN A 107 11.997 1.214 -7.076 1.00 0.00 H new ATOM 0 HG3 GLN A 107 13.416 0.907 -8.057 1.00 0.00 H new ATOM 0 HE21 GLN A 107 13.893 2.748 -9.201 1.00 0.00 H new ATOM 0 HE22 GLN A 107 12.699 3.817 -9.947 1.00 0.00 H new ATOM 1661 N GLY A 108 12.007 -3.626 -8.983 1.00 0.00 N ATOM 1662 CA GLY A 108 11.300 -4.824 -9.538 1.00 0.00 C ATOM 1663 C GLY A 108 10.219 -5.276 -8.558 1.00 0.00 C ATOM 1664 O GLY A 108 9.044 -5.031 -8.745 1.00 0.00 O ATOM 0 H GLY A 108 13.026 -3.667 -9.015 1.00 0.00 H new ATOM 0 HA2 GLY A 108 10.853 -4.582 -10.502 1.00 0.00 H new ATOM 0 HA3 GLY A 108 12.011 -5.632 -9.710 1.00 0.00 H new ATOM 1668 N LEU A 109 10.627 -5.902 -7.495 1.00 0.00 N ATOM 1669 CA LEU A 109 9.653 -6.346 -6.449 1.00 0.00 C ATOM 1670 C LEU A 109 8.693 -5.191 -6.159 1.00 0.00 C ATOM 1671 O LEU A 109 7.495 -5.378 -6.165 1.00 0.00 O ATOM 1672 CB LEU A 109 10.417 -6.744 -5.176 1.00 0.00 C ATOM 1673 CG LEU A 109 11.126 -8.116 -5.340 1.00 0.00 C ATOM 1674 CD1 LEU A 109 10.149 -9.258 -5.043 1.00 0.00 C ATOM 1675 CD2 LEU A 109 11.705 -8.293 -6.756 1.00 0.00 C ATOM 0 H LEU A 109 11.601 -6.130 -7.298 1.00 0.00 H new ATOM 0 HA LEU A 109 9.086 -7.210 -6.796 1.00 0.00 H new ATOM 0 HB2 LEU A 109 11.156 -5.978 -4.940 1.00 0.00 H new ATOM 0 HB3 LEU A 109 9.725 -6.790 -4.335 1.00 0.00 H new ATOM 0 HG LEU A 109 11.951 -8.142 -4.628 1.00 0.00 H new ATOM 0 HD11 LEU A 109 10.659 -10.214 -5.162 1.00 0.00 H new ATOM 0 HD12 LEU A 109 9.783 -9.167 -4.020 1.00 0.00 H new ATOM 0 HD13 LEU A 109 9.309 -9.207 -5.735 1.00 0.00 H new ATOM 0 HD21 LEU A 109 12.193 -9.265 -6.831 1.00 0.00 H new ATOM 0 HD22 LEU A 109 10.900 -8.234 -7.488 1.00 0.00 H new ATOM 0 HD23 LEU A 109 12.433 -7.506 -6.953 1.00 0.00 H new ATOM 1687 N ARG A 110 9.187 -4.012 -5.889 1.00 0.00 N ATOM 1688 CA ARG A 110 8.264 -2.862 -5.590 1.00 0.00 C ATOM 1689 C ARG A 110 7.068 -2.879 -6.555 1.00 0.00 C ATOM 1690 O ARG A 110 5.959 -2.528 -6.191 1.00 0.00 O ATOM 1691 CB ARG A 110 9.033 -1.543 -5.725 1.00 0.00 C ATOM 1692 CG ARG A 110 8.156 -0.364 -5.261 1.00 0.00 C ATOM 1693 CD ARG A 110 9.020 0.897 -4.989 1.00 0.00 C ATOM 1694 NE ARG A 110 8.459 2.085 -5.719 1.00 0.00 N ATOM 1695 CZ ARG A 110 8.258 2.069 -7.010 1.00 0.00 C ATOM 1696 NH1 ARG A 110 8.612 1.034 -7.719 1.00 0.00 N ATOM 1697 NH2 ARG A 110 7.728 3.106 -7.597 1.00 0.00 N ATOM 0 H ARG A 110 10.182 -3.790 -5.861 1.00 0.00 H new ATOM 0 HA ARG A 110 7.889 -2.957 -4.571 1.00 0.00 H new ATOM 0 HB2 ARG A 110 9.945 -1.583 -5.130 1.00 0.00 H new ATOM 0 HB3 ARG A 110 9.335 -1.395 -6.762 1.00 0.00 H new ATOM 0 HG2 ARG A 110 7.409 -0.140 -6.022 1.00 0.00 H new ATOM 0 HG3 ARG A 110 7.616 -0.642 -4.356 1.00 0.00 H new ATOM 0 HD2 ARG A 110 9.050 1.101 -3.919 1.00 0.00 H new ATOM 0 HD3 ARG A 110 10.047 0.718 -5.308 1.00 0.00 H new ATOM 0 HE ARG A 110 8.229 2.927 -5.192 1.00 0.00 H new ATOM 0 HH11 ARG A 110 9.048 0.231 -7.266 1.00 0.00 H new ATOM 0 HH12 ARG A 110 8.453 1.027 -8.726 1.00 0.00 H new ATOM 0 HH21 ARG A 110 7.472 3.927 -7.048 1.00 0.00 H new ATOM 0 HH22 ARG A 110 7.570 3.096 -8.605 1.00 0.00 H new ATOM 1711 N ARG A 111 7.262 -3.334 -7.762 1.00 0.00 N ATOM 1712 CA ARG A 111 6.115 -3.415 -8.717 1.00 0.00 C ATOM 1713 C ARG A 111 5.358 -4.712 -8.436 1.00 0.00 C ATOM 1714 O ARG A 111 4.144 -4.755 -8.516 1.00 0.00 O ATOM 1715 CB ARG A 111 6.615 -3.402 -10.166 1.00 0.00 C ATOM 1716 CG ARG A 111 7.533 -2.184 -10.411 1.00 0.00 C ATOM 1717 CD ARG A 111 8.529 -2.494 -11.539 1.00 0.00 C ATOM 1718 NE ARG A 111 9.588 -1.432 -11.593 1.00 0.00 N ATOM 1719 CZ ARG A 111 9.289 -0.169 -11.749 1.00 0.00 C ATOM 1720 NH1 ARG A 111 8.072 0.194 -12.050 1.00 0.00 N ATOM 1721 NH2 ARG A 111 10.227 0.733 -11.659 1.00 0.00 N ATOM 0 H ARG A 111 8.159 -3.652 -8.129 1.00 0.00 H new ATOM 0 HA ARG A 111 5.460 -2.554 -8.583 1.00 0.00 H new ATOM 0 HB2 ARG A 111 7.159 -4.323 -10.378 1.00 0.00 H new ATOM 0 HB3 ARG A 111 5.766 -3.369 -10.849 1.00 0.00 H new ATOM 0 HG2 ARG A 111 6.933 -1.313 -10.674 1.00 0.00 H new ATOM 0 HG3 ARG A 111 8.072 -1.935 -9.497 1.00 0.00 H new ATOM 0 HD2 ARG A 111 8.988 -3.469 -11.373 1.00 0.00 H new ATOM 0 HD3 ARG A 111 8.006 -2.546 -12.494 1.00 0.00 H new ATOM 0 HE ARG A 111 10.567 -1.703 -11.506 1.00 0.00 H new ATOM 0 HH11 ARG A 111 7.344 -0.511 -12.166 1.00 0.00 H new ATOM 0 HH12 ARG A 111 7.849 1.182 -12.169 1.00 0.00 H new ATOM 0 HH21 ARG A 111 11.189 0.452 -11.468 1.00 0.00 H new ATOM 0 HH22 ARG A 111 9.999 1.720 -11.780 1.00 0.00 H new ATOM 1735 N GLU A 112 6.037 -5.755 -8.057 1.00 0.00 N ATOM 1736 CA GLU A 112 5.309 -7.008 -7.724 1.00 0.00 C ATOM 1737 C GLU A 112 4.605 -6.779 -6.386 1.00 0.00 C ATOM 1738 O GLU A 112 3.475 -7.175 -6.180 1.00 0.00 O ATOM 1739 CB GLU A 112 6.295 -8.172 -7.599 1.00 0.00 C ATOM 1740 CG GLU A 112 5.521 -9.491 -7.555 1.00 0.00 C ATOM 1741 CD GLU A 112 4.963 -9.803 -8.945 1.00 0.00 C ATOM 1742 OE1 GLU A 112 5.674 -9.579 -9.911 1.00 0.00 O ATOM 1743 OE2 GLU A 112 3.835 -10.261 -9.020 1.00 0.00 O ATOM 0 H GLU A 112 7.052 -5.796 -7.964 1.00 0.00 H new ATOM 0 HA GLU A 112 4.591 -7.255 -8.506 1.00 0.00 H new ATOM 0 HB2 GLU A 112 6.985 -8.171 -8.443 1.00 0.00 H new ATOM 0 HB3 GLU A 112 6.895 -8.059 -6.696 1.00 0.00 H new ATOM 0 HG2 GLU A 112 6.175 -10.298 -7.225 1.00 0.00 H new ATOM 0 HG3 GLU A 112 4.708 -9.424 -6.832 1.00 0.00 H new ATOM 1750 N TYR A 113 5.280 -6.122 -5.482 1.00 0.00 N ATOM 1751 CA TYR A 113 4.684 -5.831 -4.151 1.00 0.00 C ATOM 1752 C TYR A 113 3.480 -4.905 -4.329 1.00 0.00 C ATOM 1753 O TYR A 113 2.620 -4.821 -3.479 1.00 0.00 O ATOM 1754 CB TYR A 113 5.720 -5.142 -3.264 1.00 0.00 C ATOM 1755 CG TYR A 113 5.100 -4.827 -1.926 1.00 0.00 C ATOM 1756 CD1 TYR A 113 5.171 -5.762 -0.888 1.00 0.00 C ATOM 1757 CD2 TYR A 113 4.453 -3.602 -1.723 1.00 0.00 C ATOM 1758 CE1 TYR A 113 4.595 -5.474 0.354 1.00 0.00 C ATOM 1759 CE2 TYR A 113 3.876 -3.314 -0.480 1.00 0.00 C ATOM 1760 CZ TYR A 113 3.948 -4.250 0.559 1.00 0.00 C ATOM 1761 OH TYR A 113 3.379 -3.966 1.784 1.00 0.00 O ATOM 0 H TYR A 113 6.229 -5.772 -5.613 1.00 0.00 H new ATOM 0 HA TYR A 113 4.368 -6.764 -3.684 1.00 0.00 H new ATOM 0 HB2 TYR A 113 6.589 -5.787 -3.132 1.00 0.00 H new ATOM 0 HB3 TYR A 113 6.071 -4.226 -3.740 1.00 0.00 H new ATOM 0 HD1 TYR A 113 5.671 -6.706 -1.045 1.00 0.00 H new ATOM 0 HD2 TYR A 113 4.399 -2.880 -2.524 1.00 0.00 H new ATOM 0 HE1 TYR A 113 4.650 -6.196 1.155 1.00 0.00 H new ATOM 0 HE2 TYR A 113 3.375 -2.370 -0.323 1.00 0.00 H new ATOM 0 HH TYR A 113 2.972 -3.075 1.757 1.00 0.00 H new ATOM 1771 N GLN A 114 3.397 -4.232 -5.445 1.00 0.00 N ATOM 1772 CA GLN A 114 2.236 -3.334 -5.698 1.00 0.00 C ATOM 1773 C GLN A 114 1.081 -4.181 -6.243 1.00 0.00 C ATOM 1774 O GLN A 114 -0.076 -3.830 -6.120 1.00 0.00 O ATOM 1775 CB GLN A 114 2.649 -2.262 -6.725 1.00 0.00 C ATOM 1776 CG GLN A 114 1.411 -1.651 -7.413 1.00 0.00 C ATOM 1777 CD GLN A 114 1.004 -2.508 -8.617 1.00 0.00 C ATOM 1778 OE1 GLN A 114 -0.032 -3.295 -8.522 1.00 0.00 O flip ATOM 1779 NE2 GLN A 114 1.636 -2.459 -9.654 1.00 0.00 N flip ATOM 0 H GLN A 114 4.087 -4.267 -6.195 1.00 0.00 H new ATOM 0 HA GLN A 114 1.920 -2.839 -4.780 1.00 0.00 H new ATOM 0 HB2 GLN A 114 3.218 -1.477 -6.228 1.00 0.00 H new ATOM 0 HB3 GLN A 114 3.305 -2.705 -7.475 1.00 0.00 H new ATOM 0 HG2 GLN A 114 0.585 -1.589 -6.705 1.00 0.00 H new ATOM 0 HG3 GLN A 114 1.630 -0.634 -7.738 1.00 0.00 H new ATOM 0 HE21 GLN A 114 2.446 -1.844 -9.729 1.00 0.00 H new ATOM 0 HE22 GLN A 114 1.356 -3.033 -10.449 1.00 0.00 H new ATOM 1788 N GLN A 115 1.393 -5.297 -6.846 1.00 0.00 N ATOM 1789 CA GLN A 115 0.326 -6.175 -7.403 1.00 0.00 C ATOM 1790 C GLN A 115 -0.262 -7.041 -6.286 1.00 0.00 C ATOM 1791 O GLN A 115 -1.437 -7.356 -6.286 1.00 0.00 O ATOM 1792 CB GLN A 115 0.924 -7.080 -8.483 1.00 0.00 C ATOM 1793 CG GLN A 115 1.352 -6.232 -9.682 1.00 0.00 C ATOM 1794 CD GLN A 115 2.010 -7.129 -10.733 1.00 0.00 C ATOM 1795 OE1 GLN A 115 1.332 -7.793 -11.492 1.00 0.00 O ATOM 1796 NE2 GLN A 115 3.312 -7.177 -10.809 1.00 0.00 N ATOM 0 H GLN A 115 2.345 -5.639 -6.977 1.00 0.00 H new ATOM 0 HA GLN A 115 -0.461 -5.557 -7.836 1.00 0.00 H new ATOM 0 HB2 GLN A 115 1.781 -7.623 -8.084 1.00 0.00 H new ATOM 0 HB3 GLN A 115 0.192 -7.825 -8.794 1.00 0.00 H new ATOM 0 HG2 GLN A 115 0.487 -5.726 -10.111 1.00 0.00 H new ATOM 0 HG3 GLN A 115 2.049 -5.457 -9.363 1.00 0.00 H new ATOM 0 HE21 GLN A 115 3.881 -6.620 -10.172 1.00 0.00 H new ATOM 0 HE22 GLN A 115 3.761 -7.772 -11.506 1.00 0.00 H new ATOM 1805 N LEU A 116 0.539 -7.423 -5.326 1.00 0.00 N ATOM 1806 CA LEU A 116 0.017 -8.263 -4.208 1.00 0.00 C ATOM 1807 C LEU A 116 -0.538 -7.345 -3.118 1.00 0.00 C ATOM 1808 O LEU A 116 -1.347 -7.739 -2.299 1.00 0.00 O ATOM 1809 CB LEU A 116 1.157 -9.105 -3.625 1.00 0.00 C ATOM 1810 CG LEU A 116 1.919 -9.810 -4.753 1.00 0.00 C ATOM 1811 CD1 LEU A 116 3.108 -10.571 -4.160 1.00 0.00 C ATOM 1812 CD2 LEU A 116 0.988 -10.796 -5.472 1.00 0.00 C ATOM 0 H LEU A 116 1.530 -7.190 -5.268 1.00 0.00 H new ATOM 0 HA LEU A 116 -0.768 -8.922 -4.578 1.00 0.00 H new ATOM 0 HB2 LEU A 116 1.837 -8.469 -3.058 1.00 0.00 H new ATOM 0 HB3 LEU A 116 0.756 -9.842 -2.930 1.00 0.00 H new ATOM 0 HG LEU A 116 2.276 -9.068 -5.468 1.00 0.00 H new ATOM 0 HD11 LEU A 116 3.653 -11.074 -4.959 1.00 0.00 H new ATOM 0 HD12 LEU A 116 3.772 -9.871 -3.653 1.00 0.00 H new ATOM 0 HD13 LEU A 116 2.747 -11.311 -3.446 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.534 -11.294 -6.273 1.00 0.00 H new ATOM 0 HD22 LEU A 116 0.627 -11.540 -4.762 1.00 0.00 H new ATOM 0 HD23 LEU A 116 0.140 -10.255 -5.893 1.00 0.00 H new ATOM 1824 N TRP A 117 -0.117 -6.110 -3.120 1.00 0.00 N ATOM 1825 CA TRP A 117 -0.612 -5.145 -2.105 1.00 0.00 C ATOM 1826 C TRP A 117 -2.041 -4.734 -2.475 1.00 0.00 C ATOM 1827 O TRP A 117 -2.914 -4.627 -1.631 1.00 0.00 O ATOM 1828 CB TRP A 117 0.313 -3.918 -2.087 1.00 0.00 C ATOM 1829 CG TRP A 117 -0.275 -2.825 -1.242 1.00 0.00 C ATOM 1830 CD1 TRP A 117 -1.144 -3.002 -0.216 1.00 0.00 C ATOM 1831 CD2 TRP A 117 -0.035 -1.388 -1.324 1.00 0.00 C ATOM 1832 NE1 TRP A 117 -1.459 -1.768 0.323 1.00 0.00 N ATOM 1833 CE2 TRP A 117 -0.801 -0.743 -0.323 1.00 0.00 C ATOM 1834 CE3 TRP A 117 0.761 -0.588 -2.164 1.00 0.00 C ATOM 1835 CZ2 TRP A 117 -0.778 0.643 -0.162 1.00 0.00 C ATOM 1836 CZ3 TRP A 117 0.787 0.808 -2.003 1.00 0.00 C ATOM 1837 CH2 TRP A 117 0.019 1.421 -1.004 1.00 0.00 C ATOM 0 H TRP A 117 0.553 -5.728 -3.787 1.00 0.00 H new ATOM 0 HA TRP A 117 -0.615 -5.598 -1.114 1.00 0.00 H new ATOM 0 HB2 TRP A 117 1.292 -4.199 -1.698 1.00 0.00 H new ATOM 0 HB3 TRP A 117 0.466 -3.556 -3.104 1.00 0.00 H new ATOM 0 HD1 TRP A 117 -1.528 -3.952 0.125 1.00 0.00 H new ATOM 0 HE1 TRP A 117 -2.101 -1.633 1.104 1.00 0.00 H new ATOM 0 HE3 TRP A 117 1.356 -1.050 -2.938 1.00 0.00 H new ATOM 0 HZ2 TRP A 117 -1.373 1.111 0.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 117 1.403 1.412 -2.653 1.00 0.00 H new ATOM 0 HH2 TRP A 117 0.044 2.494 -0.885 1.00 0.00 H new ATOM 1848 N LEU A 118 -2.312 -4.558 -3.739 1.00 0.00 N ATOM 1849 CA LEU A 118 -3.695 -4.207 -4.147 1.00 0.00 C ATOM 1850 C LEU A 118 -4.542 -5.478 -4.089 1.00 0.00 C ATOM 1851 O LEU A 118 -5.735 -5.426 -3.862 1.00 0.00 O ATOM 1852 CB LEU A 118 -3.691 -3.624 -5.563 1.00 0.00 C ATOM 1853 CG LEU A 118 -2.881 -2.317 -5.585 1.00 0.00 C ATOM 1854 CD1 LEU A 118 -2.677 -1.877 -7.038 1.00 0.00 C ATOM 1855 CD2 LEU A 118 -3.623 -1.207 -4.809 1.00 0.00 C ATOM 0 H LEU A 118 -1.638 -4.642 -4.500 1.00 0.00 H new ATOM 0 HA LEU A 118 -4.111 -3.455 -3.477 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -3.260 -4.342 -6.261 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -4.713 -3.435 -5.891 1.00 0.00 H new ATOM 0 HG LEU A 118 -1.916 -2.489 -5.108 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -2.103 -0.951 -7.060 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -2.136 -2.652 -7.580 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -3.647 -1.715 -7.509 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -3.035 -0.290 -4.835 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -4.595 -1.029 -5.269 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -3.764 -1.518 -3.774 1.00 0.00 H new ATOM 1867 N ALA A 119 -3.933 -6.627 -4.238 1.00 0.00 N ATOM 1868 CA ALA A 119 -4.716 -7.887 -4.126 1.00 0.00 C ATOM 1869 C ALA A 119 -5.093 -8.047 -2.656 1.00 0.00 C ATOM 1870 O ALA A 119 -6.026 -8.745 -2.310 1.00 0.00 O ATOM 1871 CB ALA A 119 -3.880 -9.080 -4.595 1.00 0.00 C ATOM 0 H ALA A 119 -2.938 -6.744 -4.430 1.00 0.00 H new ATOM 0 HA ALA A 119 -5.606 -7.847 -4.753 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -4.468 -9.994 -4.506 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -3.590 -8.935 -5.636 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -2.986 -9.163 -3.977 1.00 0.00 H new ATOM 1877 N ALA A 120 -4.416 -7.334 -1.795 1.00 0.00 N ATOM 1878 CA ALA A 120 -4.765 -7.354 -0.345 1.00 0.00 C ATOM 1879 C ALA A 120 -5.619 -6.122 -0.077 1.00 0.00 C ATOM 1880 O ALA A 120 -6.103 -5.928 1.013 1.00 0.00 O ATOM 1881 CB ALA A 120 -3.501 -7.274 0.511 1.00 0.00 C ATOM 0 H ALA A 120 -3.628 -6.733 -2.038 1.00 0.00 H new ATOM 0 HA ALA A 120 -5.292 -8.275 -0.096 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.774 -7.290 1.566 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -2.858 -8.126 0.290 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -2.968 -6.349 0.288 1.00 0.00 H new ATOM 1887 N PHE A 121 -5.800 -5.286 -1.080 1.00 0.00 N ATOM 1888 CA PHE A 121 -6.635 -4.049 -0.918 1.00 0.00 C ATOM 1889 C PHE A 121 -7.932 -4.183 -1.739 1.00 0.00 C ATOM 1890 O PHE A 121 -8.903 -3.499 -1.484 1.00 0.00 O ATOM 1891 CB PHE A 121 -5.838 -2.816 -1.391 1.00 0.00 C ATOM 1892 CG PHE A 121 -6.275 -1.587 -0.622 1.00 0.00 C ATOM 1893 CD1 PHE A 121 -7.457 -0.926 -0.974 1.00 0.00 C ATOM 1894 CD2 PHE A 121 -5.498 -1.113 0.443 1.00 0.00 C ATOM 1895 CE1 PHE A 121 -7.863 0.209 -0.262 1.00 0.00 C ATOM 1896 CE2 PHE A 121 -5.903 0.022 1.154 1.00 0.00 C ATOM 1897 CZ PHE A 121 -7.086 0.683 0.802 1.00 0.00 C ATOM 0 H PHE A 121 -5.401 -5.411 -2.010 1.00 0.00 H new ATOM 0 HA PHE A 121 -6.892 -3.925 0.134 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -4.771 -2.985 -1.245 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -5.993 -2.661 -2.459 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.056 -1.291 -1.795 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -4.586 -1.624 0.715 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.776 0.719 -0.533 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -5.303 0.388 1.974 1.00 0.00 H new ATOM 0 HZ PHE A 121 -7.399 1.559 1.351 1.00 0.00 H new ATOM 1907 N ALA A 122 -7.965 -5.063 -2.710 1.00 0.00 N ATOM 1908 CA ALA A 122 -9.211 -5.249 -3.534 1.00 0.00 C ATOM 1909 C ALA A 122 -9.936 -6.516 -3.070 1.00 0.00 C ATOM 1910 O ALA A 122 -11.137 -6.630 -3.218 1.00 0.00 O ATOM 1911 CB ALA A 122 -8.845 -5.345 -5.028 1.00 0.00 C ATOM 0 H ALA A 122 -7.183 -5.664 -2.972 1.00 0.00 H new ATOM 0 HA ALA A 122 -9.873 -4.393 -3.401 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -9.752 -5.480 -5.617 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -8.343 -4.429 -5.339 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -8.181 -6.195 -5.186 1.00 0.00 H new ATOM 1917 N ALA A 123 -9.249 -7.439 -2.470 1.00 0.00 N ATOM 1918 CA ALA A 123 -9.940 -8.656 -1.958 1.00 0.00 C ATOM 1919 C ALA A 123 -10.316 -8.370 -0.508 1.00 0.00 C ATOM 1920 O ALA A 123 -10.647 -9.252 0.256 1.00 0.00 O ATOM 1921 CB ALA A 123 -8.990 -9.854 -2.017 1.00 0.00 C ATOM 0 H ALA A 123 -8.242 -7.408 -2.310 1.00 0.00 H new ATOM 0 HA ALA A 123 -10.821 -8.889 -2.556 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -9.500 -10.741 -1.642 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -8.680 -10.022 -3.048 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -8.112 -9.653 -1.403 1.00 0.00 H new ATOM 1927 N LEU A 124 -10.198 -7.128 -0.120 1.00 0.00 N ATOM 1928 CA LEU A 124 -10.472 -6.748 1.288 1.00 0.00 C ATOM 1929 C LEU A 124 -11.888 -7.201 1.735 1.00 0.00 C ATOM 1930 O LEU A 124 -12.011 -7.955 2.679 1.00 0.00 O ATOM 1931 CB LEU A 124 -10.334 -5.214 1.436 1.00 0.00 C ATOM 1932 CG LEU A 124 -8.962 -4.807 2.008 1.00 0.00 C ATOM 1933 CD1 LEU A 124 -8.762 -3.298 1.833 1.00 0.00 C ATOM 1934 CD2 LEU A 124 -8.863 -5.134 3.497 1.00 0.00 C ATOM 0 H LEU A 124 -9.921 -6.357 -0.727 1.00 0.00 H new ATOM 0 HA LEU A 124 -9.748 -7.251 1.929 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -10.475 -4.742 0.463 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -11.123 -4.841 2.089 1.00 0.00 H new ATOM 0 HG LEU A 124 -8.197 -5.365 1.469 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -7.792 -3.010 2.238 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -8.802 -3.046 0.773 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -9.549 -2.763 2.363 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -7.884 -4.835 3.871 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -9.639 -4.595 4.040 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -8.996 -6.206 3.644 1.00 0.00 H new ATOM 1946 N PRO A 125 -12.930 -6.690 1.067 1.00 0.00 N ATOM 1947 CA PRO A 125 -14.328 -7.005 1.434 1.00 0.00 C ATOM 1948 C PRO A 125 -14.530 -8.501 1.548 1.00 0.00 C ATOM 1949 O PRO A 125 -14.889 -9.004 2.595 1.00 0.00 O ATOM 1950 CB PRO A 125 -15.195 -6.376 0.318 1.00 0.00 C ATOM 1951 CG PRO A 125 -14.222 -5.807 -0.743 1.00 0.00 C ATOM 1952 CD PRO A 125 -12.819 -5.792 -0.110 1.00 0.00 C ATOM 0 HA PRO A 125 -14.602 -6.603 2.409 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -15.855 -7.122 -0.125 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -15.830 -5.587 0.721 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -14.232 -6.422 -1.643 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -14.521 -4.802 -1.040 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -12.064 -6.148 -0.811 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -12.528 -4.784 0.186 1.00 0.00 H new ATOM 1960 N GLY A 126 -14.316 -9.222 0.494 1.00 0.00 N ATOM 1961 CA GLY A 126 -14.516 -10.692 0.568 1.00 0.00 C ATOM 1962 C GLY A 126 -13.240 -11.381 1.047 1.00 0.00 C ATOM 1963 O GLY A 126 -12.758 -12.320 0.444 1.00 0.00 O ATOM 0 H GLY A 126 -14.013 -8.864 -0.412 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -15.337 -10.920 1.248 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -14.798 -11.077 -0.412 1.00 0.00 H new ATOM 1967 N SER A 127 -12.783 -10.989 2.219 1.00 0.00 N ATOM 1968 CA SER A 127 -11.620 -11.679 2.865 1.00 0.00 C ATOM 1969 C SER A 127 -11.252 -10.959 4.172 1.00 0.00 C ATOM 1970 O SER A 127 -11.379 -11.508 5.248 1.00 0.00 O ATOM 1971 CB SER A 127 -10.399 -11.771 1.923 1.00 0.00 C ATOM 1972 OG SER A 127 -9.912 -13.105 1.917 1.00 0.00 O ATOM 0 H SER A 127 -13.171 -10.214 2.757 1.00 0.00 H new ATOM 0 HA SER A 127 -11.919 -12.703 3.089 1.00 0.00 H new ATOM 0 HB2 SER A 127 -10.680 -11.469 0.914 1.00 0.00 H new ATOM 0 HB3 SER A 127 -9.617 -11.087 2.254 1.00 0.00 H new ATOM 0 HG SER A 127 -9.138 -13.168 1.319 1.00 0.00 H new ATOM 1978 N ALA A 128 -10.787 -9.749 4.077 1.00 0.00 N ATOM 1979 CA ALA A 128 -10.387 -8.973 5.296 1.00 0.00 C ATOM 1980 C ALA A 128 -11.117 -7.627 5.299 1.00 0.00 C ATOM 1981 O ALA A 128 -10.707 -6.731 4.616 1.00 0.00 O ATOM 1982 CB ALA A 128 -8.875 -8.718 5.216 1.00 0.00 C ATOM 0 H ALA A 128 -10.662 -9.250 3.196 1.00 0.00 H new ATOM 0 HA ALA A 128 -10.640 -9.526 6.201 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -8.554 -8.154 6.092 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -8.346 -9.671 5.185 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -8.649 -8.148 4.315 1.00 0.00 H new ATOM 1988 N LYS A 129 -12.178 -7.458 6.055 1.00 0.00 N ATOM 1989 CA LYS A 129 -12.881 -6.146 6.049 1.00 0.00 C ATOM 1990 C LYS A 129 -14.102 -6.203 6.964 1.00 0.00 C ATOM 1991 O LYS A 129 -14.496 -7.235 7.469 1.00 0.00 O ATOM 1992 CB LYS A 129 -13.397 -5.844 4.624 1.00 0.00 C ATOM 1993 CG LYS A 129 -13.827 -4.363 4.475 1.00 0.00 C ATOM 1994 CD LYS A 129 -13.927 -3.944 2.980 1.00 0.00 C ATOM 1995 CE LYS A 129 -13.253 -2.584 2.766 1.00 0.00 C ATOM 1996 NZ LYS A 129 -13.820 -1.591 3.722 1.00 0.00 N ATOM 0 H LYS A 129 -12.580 -8.167 6.668 1.00 0.00 H new ATOM 0 HA LYS A 129 -12.182 -5.381 6.386 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -12.617 -6.072 3.898 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -14.242 -6.494 4.397 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -14.791 -4.213 4.961 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -13.109 -3.722 4.986 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -13.452 -4.697 2.351 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -14.973 -3.891 2.679 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -12.177 -2.673 2.913 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -13.408 -2.247 1.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -13.619 -0.629 3.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -14.849 -1.725 3.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -13.388 -1.725 4.659 1.00 0.00 H new ATOM 2010 N ASP A 130 -14.725 -5.087 7.090 1.00 0.00 N ATOM 2011 CA ASP A 130 -15.982 -4.956 7.863 1.00 0.00 C ATOM 2012 C ASP A 130 -16.795 -3.858 7.156 1.00 0.00 C ATOM 2013 O ASP A 130 -16.901 -2.758 7.662 1.00 0.00 O ATOM 2014 CB ASP A 130 -15.671 -4.532 9.301 1.00 0.00 C ATOM 2015 CG ASP A 130 -16.958 -4.558 10.130 1.00 0.00 C ATOM 2016 OD1 ASP A 130 -17.735 -5.481 9.952 1.00 0.00 O ATOM 2017 OD2 ASP A 130 -17.143 -3.654 10.929 1.00 0.00 O ATOM 0 H ASP A 130 -14.404 -4.214 6.671 1.00 0.00 H new ATOM 0 HA ASP A 130 -16.528 -5.898 7.907 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -14.931 -5.203 9.737 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -15.239 -3.531 9.311 1.00 0.00 H new ATOM 2022 N PRO A 131 -17.288 -4.162 5.964 1.00 0.00 N ATOM 2023 CA PRO A 131 -18.014 -3.177 5.138 1.00 0.00 C ATOM 2024 C PRO A 131 -19.486 -3.130 5.534 1.00 0.00 C ATOM 2025 O PRO A 131 -20.124 -2.098 5.474 1.00 0.00 O ATOM 2026 CB PRO A 131 -17.893 -3.738 3.700 1.00 0.00 C ATOM 2027 CG PRO A 131 -17.491 -5.239 3.838 1.00 0.00 C ATOM 2028 CD PRO A 131 -17.185 -5.498 5.335 1.00 0.00 C ATOM 0 HA PRO A 131 -17.615 -2.169 5.249 1.00 0.00 H new ATOM 0 HB2 PRO A 131 -18.837 -3.638 3.165 1.00 0.00 H new ATOM 0 HB3 PRO A 131 -17.144 -3.187 3.131 1.00 0.00 H new ATOM 0 HG2 PRO A 131 -18.297 -5.886 3.493 1.00 0.00 H new ATOM 0 HG3 PRO A 131 -16.619 -5.461 3.223 1.00 0.00 H new ATOM 0 HD2 PRO A 131 -17.896 -6.199 5.771 1.00 0.00 H new ATOM 0 HD3 PRO A 131 -16.192 -5.926 5.470 1.00 0.00 H new ATOM 2036 N SER A 132 -20.039 -4.269 5.861 1.00 0.00 N ATOM 2037 CA SER A 132 -21.490 -4.327 6.178 1.00 0.00 C ATOM 2038 C SER A 132 -22.233 -4.290 4.841 1.00 0.00 C ATOM 2039 O SER A 132 -23.205 -4.992 4.639 1.00 0.00 O ATOM 2040 CB SER A 132 -21.896 -3.130 7.059 1.00 0.00 C ATOM 2041 OG SER A 132 -22.926 -3.539 7.950 1.00 0.00 O ATOM 0 H SER A 132 -19.545 -5.160 5.921 1.00 0.00 H new ATOM 0 HA SER A 132 -21.735 -5.232 6.733 1.00 0.00 H new ATOM 0 HB2 SER A 132 -21.035 -2.767 7.620 1.00 0.00 H new ATOM 0 HB3 SER A 132 -22.242 -2.305 6.437 1.00 0.00 H new ATOM 0 HG SER A 132 -23.189 -2.783 8.515 1.00 0.00 H new ATOM 2047 N TRP A 133 -21.792 -3.443 3.938 1.00 0.00 N ATOM 2048 CA TRP A 133 -22.486 -3.324 2.611 1.00 0.00 C ATOM 2049 C TRP A 133 -21.457 -3.237 1.479 1.00 0.00 C ATOM 2050 O TRP A 133 -21.130 -2.164 1.011 1.00 0.00 O ATOM 2051 CB TRP A 133 -23.365 -2.056 2.624 1.00 0.00 C ATOM 2052 CG TRP A 133 -24.505 -2.215 1.661 1.00 0.00 C ATOM 2053 CD1 TRP A 133 -25.478 -3.150 1.762 1.00 0.00 C ATOM 2054 CD2 TRP A 133 -24.805 -1.441 0.464 1.00 0.00 C ATOM 2055 NE1 TRP A 133 -26.355 -3.000 0.703 1.00 0.00 N ATOM 2056 CE2 TRP A 133 -25.983 -1.960 -0.125 1.00 0.00 C ATOM 2057 CE3 TRP A 133 -24.176 -0.351 -0.163 1.00 0.00 C ATOM 2058 CZ2 TRP A 133 -26.517 -1.417 -1.293 1.00 0.00 C ATOM 2059 CZ3 TRP A 133 -24.711 0.199 -1.339 1.00 0.00 C ATOM 2060 CH2 TRP A 133 -25.879 -0.334 -1.903 1.00 0.00 C ATOM 0 H TRP A 133 -20.985 -2.831 4.061 1.00 0.00 H new ATOM 0 HA TRP A 133 -23.107 -4.204 2.443 1.00 0.00 H new ATOM 0 HB2 TRP A 133 -23.748 -1.879 3.629 1.00 0.00 H new ATOM 0 HB3 TRP A 133 -22.767 -1.186 2.353 1.00 0.00 H new ATOM 0 HD1 TRP A 133 -25.557 -3.892 2.542 1.00 0.00 H new ATOM 0 HE1 TRP A 133 -27.176 -3.586 0.552 1.00 0.00 H new ATOM 0 HE3 TRP A 133 -23.275 0.066 0.263 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 -27.417 -1.831 -1.723 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 -24.220 1.037 -1.812 1.00 0.00 H new ATOM 0 HH2 TRP A 133 -26.285 0.092 -2.808 1.00 0.00 H new ATOM 2071 N ALA A 134 -20.945 -4.359 1.031 1.00 0.00 N ATOM 2072 CA ALA A 134 -19.936 -4.344 -0.077 1.00 0.00 C ATOM 2073 C ALA A 134 -20.606 -4.797 -1.376 1.00 0.00 C ATOM 2074 O ALA A 134 -20.791 -5.991 -1.539 1.00 0.00 O ATOM 2075 CB ALA A 134 -18.790 -5.298 0.265 1.00 0.00 C ATOM 2076 OXT ALA A 134 -20.924 -3.940 -2.185 1.00 0.00 O ATOM 0 H ALA A 134 -21.182 -5.286 1.385 1.00 0.00 H new ATOM 0 HA ALA A 134 -19.543 -3.335 -0.201 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -18.056 -5.288 -0.540 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -18.316 -4.979 1.193 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -19.181 -6.308 0.386 1.00 0.00 H new TER 2082 ALA A 134