USER MOD reduce.3.24.130724 H: found=0, std=0, add=1078, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 1078 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 26 GLN : amide:sc= 0.305 K(o=0.63,f=0) USER MOD Set 1.2: A 104 GLN : amide:sc= 0.327 K(o=0.63,f=0) USER MOD Set 2.1: A 50 GLN : amide:sc= -0.276 X(o=3.4,f=3.2) USER MOD Set 2.2: A 71 TYR OH : rot 45:sc= 1.34 USER MOD Set 2.3: A 74 SER OG : rot -143:sc= 0.603 USER MOD Set 2.4: A 87 HIS : no HD1:sc= 1.77 K(o=3.4,f=-7.6!) USER MOD Set 3.1: A 76 GLN :FLIP amide:sc= -0.0463 X(o=-0.66,f=-0.19) USER MOD Set 3.2: A 85 HIS : no HD1:sc= -0.14 X(o=-0.19,f=-0.66) USER MOD Single : A 1 GLY N :NH3+ -109:sc= 0.0508 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0.0455 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 157:sc= -0.104 (180deg=-0.961!) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 153:sc= 1.25 (180deg=1.12) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN :FLIP amide:sc= 0 F(o=-0.61,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 132:sc= 2.32 (180deg=-0.266) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.057 K(o=-0.057,f=-0.63) USER MOD Single : A 67 THR OG1 : rot 134:sc= 1.18 USER MOD Single : A 75 HIS : no HD1:sc= -0.29 X(o=-0.29,f=-0.21) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 90 HIS : +bothHN:sc= -4.43! C(o=-4.4!,f=-14!) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HD1:sc= -0.206 X(o=-0.21,f=-0.0035) USER MOD Single : A 103 HIS : no HE2:sc= -2.9! C(o=-2.9!,f=-5!) USER MOD Single : A 109 CYS SG : rot 24:sc= -1.66 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= -0.734! K(o=-0.73!,f=-1.3) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 MET CE :methyl -158:sc= -0.272 (180deg=-1.05) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.361 -9.839 -7.102 1.00 0.00 N ATOM 2 CA GLY A 1 -26.260 -10.527 -8.412 1.00 0.00 C ATOM 3 C GLY A 1 -26.011 -12.011 -8.258 1.00 0.00 C ATOM 4 O GLY A 1 -25.432 -12.435 -7.259 1.00 0.00 O ATOM 0 H1 GLY A 1 -27.347 -9.553 -6.935 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.056 -10.485 -6.346 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.751 -8.996 -7.105 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -27.180 -10.371 -8.975 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.452 -10.083 -8.993 1.00 0.00 H new ATOM 10 N PRO A 2 -26.450 -12.830 -9.231 1.00 0.00 N ATOM 11 CA PRO A 2 -26.235 -14.279 -9.203 1.00 0.00 C ATOM 12 C PRO A 2 -24.749 -14.627 -9.158 1.00 0.00 C ATOM 13 O PRO A 2 -24.257 -15.193 -8.179 1.00 0.00 O ATOM 14 CB PRO A 2 -26.866 -14.767 -10.513 1.00 0.00 C ATOM 15 CG PRO A 2 -27.813 -13.689 -10.911 1.00 0.00 C ATOM 16 CD PRO A 2 -27.196 -12.408 -10.432 1.00 0.00 C ATOM 0 HA PRO A 2 -26.670 -14.743 -8.318 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -26.108 -14.929 -11.279 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -27.385 -15.715 -10.372 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -27.957 -13.674 -11.991 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -28.794 -13.844 -10.461 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -26.538 -11.971 -11.183 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -27.952 -11.659 -10.196 1.00 0.00 H new ATOM 24 N LEU A 3 -24.037 -14.280 -10.219 1.00 0.00 N ATOM 25 CA LEU A 3 -22.594 -14.436 -10.248 1.00 0.00 C ATOM 26 C LEU A 3 -21.940 -13.114 -9.876 1.00 0.00 C ATOM 27 O LEU A 3 -22.088 -12.117 -10.583 1.00 0.00 O ATOM 28 CB LEU A 3 -22.124 -14.893 -11.632 1.00 0.00 C ATOM 29 CG LEU A 3 -20.623 -15.169 -11.748 1.00 0.00 C ATOM 30 CD1 LEU A 3 -20.211 -16.295 -10.810 1.00 0.00 C ATOM 31 CD2 LEU A 3 -20.257 -15.510 -13.182 1.00 0.00 C ATOM 0 H LEU A 3 -24.437 -13.888 -11.072 1.00 0.00 H new ATOM 0 HA LEU A 3 -22.304 -15.201 -9.527 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -22.666 -15.799 -11.902 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -22.395 -14.130 -12.361 1.00 0.00 H new ATOM 0 HG LEU A 3 -20.083 -14.267 -11.458 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -19.141 -16.476 -10.907 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -20.440 -16.014 -9.782 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -20.757 -17.202 -11.068 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -19.186 -15.704 -13.248 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -20.806 -16.397 -13.497 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -20.515 -14.674 -13.832 1.00 0.00 H new ATOM 43 N GLY A 4 -21.234 -13.106 -8.759 1.00 0.00 N ATOM 44 CA GLY A 4 -20.642 -11.879 -8.273 1.00 0.00 C ATOM 45 C GLY A 4 -21.451 -11.278 -7.144 1.00 0.00 C ATOM 46 O GLY A 4 -21.487 -10.057 -6.973 1.00 0.00 O ATOM 0 H GLY A 4 -21.060 -13.927 -8.179 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.627 -12.076 -7.929 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.568 -11.162 -9.090 1.00 0.00 H new ATOM 50 N SER A 5 -22.123 -12.144 -6.392 1.00 0.00 N ATOM 51 CA SER A 5 -22.891 -11.735 -5.226 1.00 0.00 C ATOM 52 C SER A 5 -21.975 -11.108 -4.184 1.00 0.00 C ATOM 53 O SER A 5 -22.215 -9.989 -3.714 1.00 0.00 O ATOM 54 CB SER A 5 -23.616 -12.953 -4.653 1.00 0.00 C ATOM 55 OG SER A 5 -22.780 -14.099 -4.698 1.00 0.00 O ATOM 0 H SER A 5 -22.149 -13.147 -6.575 1.00 0.00 H new ATOM 0 HA SER A 5 -23.628 -10.986 -5.516 1.00 0.00 H new ATOM 0 HB2 SER A 5 -23.915 -12.754 -3.624 1.00 0.00 H new ATOM 0 HB3 SER A 5 -24.529 -13.139 -5.219 1.00 0.00 H new ATOM 0 HG SER A 5 -23.259 -14.868 -4.326 1.00 0.00 H new ATOM 61 N MET A 6 -20.926 -11.841 -3.832 1.00 0.00 N ATOM 62 CA MET A 6 -19.877 -11.320 -2.973 1.00 0.00 C ATOM 63 C MET A 6 -19.104 -10.235 -3.718 1.00 0.00 C ATOM 64 O MET A 6 -18.434 -10.504 -4.718 1.00 0.00 O ATOM 65 CB MET A 6 -18.940 -12.448 -2.517 1.00 0.00 C ATOM 66 CG MET A 6 -18.308 -13.233 -3.661 1.00 0.00 C ATOM 67 SD MET A 6 -17.288 -14.609 -3.098 1.00 0.00 S ATOM 68 CE MET A 6 -16.620 -15.181 -4.660 1.00 0.00 C ATOM 0 H MET A 6 -20.781 -12.805 -4.132 1.00 0.00 H new ATOM 0 HA MET A 6 -20.327 -10.884 -2.081 1.00 0.00 H new ATOM 0 HB2 MET A 6 -18.148 -12.021 -1.902 1.00 0.00 H new ATOM 0 HB3 MET A 6 -19.499 -13.137 -1.884 1.00 0.00 H new ATOM 0 HG2 MET A 6 -19.096 -13.615 -4.310 1.00 0.00 H new ATOM 0 HG3 MET A 6 -17.698 -12.559 -4.262 1.00 0.00 H new ATOM 0 HE1 MET A 6 -15.964 -16.034 -4.485 1.00 0.00 H new ATOM 0 HE2 MET A 6 -17.437 -15.480 -5.317 1.00 0.00 H new ATOM 0 HE3 MET A 6 -16.052 -14.377 -5.129 1.00 0.00 H new ATOM 78 N LYS A 7 -19.226 -9.006 -3.254 1.00 0.00 N ATOM 79 CA LYS A 7 -18.630 -7.880 -3.949 1.00 0.00 C ATOM 80 C LYS A 7 -17.193 -7.663 -3.508 1.00 0.00 C ATOM 81 O LYS A 7 -16.771 -8.149 -2.455 1.00 0.00 O ATOM 82 CB LYS A 7 -19.461 -6.625 -3.715 1.00 0.00 C ATOM 83 CG LYS A 7 -20.905 -6.807 -4.140 1.00 0.00 C ATOM 84 CD LYS A 7 -21.786 -5.667 -3.673 1.00 0.00 C ATOM 85 CE LYS A 7 -23.246 -6.072 -3.717 1.00 0.00 C ATOM 86 NZ LYS A 7 -23.497 -7.268 -2.869 1.00 0.00 N ATOM 0 H LYS A 7 -19.730 -8.762 -2.402 1.00 0.00 H new ATOM 0 HA LYS A 7 -18.618 -8.101 -5.016 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -19.426 -6.360 -2.658 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -19.024 -5.793 -4.267 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -20.956 -6.882 -5.226 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -21.285 -7.746 -3.738 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -21.512 -5.381 -2.658 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -21.626 -4.793 -4.305 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -23.867 -5.244 -3.375 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -23.537 -6.285 -4.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -24.501 -7.297 -2.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -23.257 -8.128 -3.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -22.909 -7.216 -2.013 1.00 0.00 H new ATOM 100 N MET A 8 -16.447 -6.935 -4.319 1.00 0.00 N ATOM 101 CA MET A 8 -15.048 -6.693 -4.039 1.00 0.00 C ATOM 102 C MET A 8 -14.826 -5.273 -3.555 1.00 0.00 C ATOM 103 O MET A 8 -15.516 -4.345 -3.971 1.00 0.00 O ATOM 104 CB MET A 8 -14.182 -6.965 -5.274 1.00 0.00 C ATOM 105 CG MET A 8 -14.087 -8.435 -5.646 1.00 0.00 C ATOM 106 SD MET A 8 -12.971 -8.728 -7.035 1.00 0.00 S ATOM 107 CE MET A 8 -13.093 -10.509 -7.195 1.00 0.00 C ATOM 0 H MET A 8 -16.789 -6.502 -5.177 1.00 0.00 H new ATOM 0 HA MET A 8 -14.751 -7.381 -3.248 1.00 0.00 H new ATOM 0 HB2 MET A 8 -14.589 -6.411 -6.120 1.00 0.00 H new ATOM 0 HB3 MET A 8 -13.178 -6.580 -5.094 1.00 0.00 H new ATOM 0 HG2 MET A 8 -13.743 -9.003 -4.782 1.00 0.00 H new ATOM 0 HG3 MET A 8 -15.080 -8.807 -5.898 1.00 0.00 H new ATOM 0 HE1 MET A 8 -12.458 -10.845 -8.015 1.00 0.00 H new ATOM 0 HE2 MET A 8 -12.768 -10.981 -6.268 1.00 0.00 H new ATOM 0 HE3 MET A 8 -14.127 -10.786 -7.400 1.00 0.00 H new ATOM 117 N ILE A 9 -13.880 -5.135 -2.647 1.00 0.00 N ATOM 118 CA ILE A 9 -13.434 -3.842 -2.176 1.00 0.00 C ATOM 119 C ILE A 9 -12.066 -3.570 -2.776 1.00 0.00 C ATOM 120 O ILE A 9 -11.107 -4.280 -2.498 1.00 0.00 O ATOM 121 CB ILE A 9 -13.346 -3.806 -0.636 1.00 0.00 C ATOM 122 CG1 ILE A 9 -14.719 -4.080 -0.019 1.00 0.00 C ATOM 123 CG2 ILE A 9 -12.784 -2.482 -0.131 1.00 0.00 C ATOM 124 CD1 ILE A 9 -14.769 -3.854 1.477 1.00 0.00 C ATOM 0 H ILE A 9 -13.397 -5.922 -2.214 1.00 0.00 H new ATOM 0 HA ILE A 9 -14.150 -3.080 -2.482 1.00 0.00 H new ATOM 0 HB ILE A 9 -12.656 -4.591 -0.326 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -15.458 -3.439 -0.499 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -15.004 -5.110 -0.232 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -12.739 -2.498 0.958 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.782 -2.335 -0.534 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -13.429 -1.666 -0.455 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.773 -4.068 1.844 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -14.055 -4.514 1.969 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -14.516 -2.817 1.697 1.00 0.00 H new ATOM 136 N GLU A 10 -11.976 -2.564 -3.601 1.00 0.00 N ATOM 137 CA GLU A 10 -10.769 -2.319 -4.364 1.00 0.00 C ATOM 138 C GLU A 10 -9.907 -1.306 -3.638 1.00 0.00 C ATOM 139 O GLU A 10 -10.289 -0.149 -3.511 1.00 0.00 O ATOM 140 CB GLU A 10 -11.118 -1.804 -5.770 1.00 0.00 C ATOM 141 CG GLU A 10 -12.539 -2.131 -6.221 1.00 0.00 C ATOM 142 CD GLU A 10 -13.575 -1.118 -5.732 1.00 0.00 C ATOM 143 OE1 GLU A 10 -13.846 -1.061 -4.509 1.00 0.00 O ATOM 144 OE2 GLU A 10 -14.124 -0.375 -6.569 1.00 0.00 O ATOM 0 H GLU A 10 -12.726 -1.893 -3.767 1.00 0.00 H new ATOM 0 HA GLU A 10 -10.218 -3.254 -4.466 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.981 -0.723 -5.793 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.415 -2.230 -6.486 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.567 -2.173 -7.310 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.810 -3.122 -5.857 1.00 0.00 H new ATOM 151 N VAL A 11 -8.752 -1.728 -3.161 1.00 0.00 N ATOM 152 CA VAL A 11 -7.911 -0.860 -2.362 1.00 0.00 C ATOM 153 C VAL A 11 -6.532 -0.765 -2.984 1.00 0.00 C ATOM 154 O VAL A 11 -5.901 -1.777 -3.289 1.00 0.00 O ATOM 155 CB VAL A 11 -7.786 -1.367 -0.906 1.00 0.00 C ATOM 156 CG1 VAL A 11 -6.832 -0.496 -0.101 1.00 0.00 C ATOM 157 CG2 VAL A 11 -9.149 -1.414 -0.236 1.00 0.00 C ATOM 0 H VAL A 11 -8.376 -2.664 -3.313 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.378 0.125 -2.339 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.378 -2.377 -0.939 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.764 -0.876 0.918 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.845 -0.516 -0.562 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.203 0.529 -0.082 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.039 -1.773 0.787 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.584 -0.414 -0.225 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.803 -2.088 -0.789 1.00 0.00 H new ATOM 167 N VAL A 12 -6.077 0.447 -3.191 1.00 0.00 N ATOM 168 CA VAL A 12 -4.744 0.660 -3.700 1.00 0.00 C ATOM 169 C VAL A 12 -3.810 0.992 -2.549 1.00 0.00 C ATOM 170 O VAL A 12 -4.120 1.833 -1.701 1.00 0.00 O ATOM 171 CB VAL A 12 -4.694 1.773 -4.771 1.00 0.00 C ATOM 172 CG1 VAL A 12 -5.227 1.261 -6.101 1.00 0.00 C ATOM 173 CG2 VAL A 12 -5.482 2.994 -4.320 1.00 0.00 C ATOM 0 H VAL A 12 -6.609 1.299 -3.015 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.422 -0.261 -4.186 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.653 2.067 -4.904 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.184 2.059 -6.842 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.620 0.421 -6.437 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.260 0.936 -5.978 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.432 3.764 -5.090 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.522 2.714 -4.153 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.057 3.380 -3.393 1.00 0.00 H new ATOM 183 N ALA A 13 -2.680 0.312 -2.510 1.00 0.00 N ATOM 184 CA ALA A 13 -1.719 0.481 -1.443 1.00 0.00 C ATOM 185 C ALA A 13 -0.471 1.124 -2.005 1.00 0.00 C ATOM 186 O ALA A 13 0.046 0.700 -3.041 1.00 0.00 O ATOM 187 CB ALA A 13 -1.388 -0.861 -0.797 1.00 0.00 C ATOM 0 H ALA A 13 -2.405 -0.371 -3.216 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.144 1.123 -0.671 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.663 -0.711 0.003 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.297 -1.301 -0.386 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.967 -1.532 -1.546 1.00 0.00 H new ATOM 193 N ALA A 14 0.007 2.146 -1.334 1.00 0.00 N ATOM 194 CA ALA A 14 1.135 2.896 -1.830 1.00 0.00 C ATOM 195 C ALA A 14 2.398 2.507 -1.102 1.00 0.00 C ATOM 196 O ALA A 14 2.504 2.661 0.115 1.00 0.00 O ATOM 197 CB ALA A 14 0.896 4.385 -1.679 1.00 0.00 C ATOM 0 H ALA A 14 -0.368 2.476 -0.445 1.00 0.00 H new ATOM 0 HA ALA A 14 1.252 2.662 -2.888 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.759 4.932 -2.059 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.008 4.670 -2.243 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.749 4.625 -0.626 1.00 0.00 H new ATOM 203 N ILE A 15 3.362 2.016 -1.851 1.00 0.00 N ATOM 204 CA ILE A 15 4.656 1.737 -1.295 1.00 0.00 C ATOM 205 C ILE A 15 5.536 2.939 -1.550 1.00 0.00 C ATOM 206 O ILE A 15 6.033 3.134 -2.662 1.00 0.00 O ATOM 207 CB ILE A 15 5.310 0.479 -1.905 1.00 0.00 C ATOM 208 CG1 ILE A 15 4.478 -0.765 -1.585 1.00 0.00 C ATOM 209 CG2 ILE A 15 6.730 0.317 -1.386 1.00 0.00 C ATOM 210 CD1 ILE A 15 5.259 -2.059 -1.684 1.00 0.00 C ATOM 0 H ILE A 15 3.268 1.804 -2.844 1.00 0.00 H new ATOM 0 HA ILE A 15 4.539 1.541 -0.229 1.00 0.00 H new ATOM 0 HB ILE A 15 5.348 0.598 -2.988 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.072 -0.671 -0.578 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.629 -0.810 -2.267 1.00 0.00 H new ATOM 0 HG21 ILE A 15 7.178 -0.574 -1.825 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.319 1.192 -1.660 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.712 0.217 -0.301 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.605 -2.898 -1.444 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.642 -2.176 -2.698 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.092 -2.036 -0.982 1.00 0.00 H new ATOM 222 N ILE A 16 5.698 3.771 -0.543 1.00 0.00 N ATOM 223 CA ILE A 16 6.506 4.955 -0.687 1.00 0.00 C ATOM 224 C ILE A 16 7.917 4.620 -0.271 1.00 0.00 C ATOM 225 O ILE A 16 8.218 4.512 0.913 1.00 0.00 O ATOM 226 CB ILE A 16 5.954 6.123 0.155 1.00 0.00 C ATOM 227 CG1 ILE A 16 4.464 6.303 -0.141 1.00 0.00 C ATOM 228 CG2 ILE A 16 6.716 7.412 -0.136 1.00 0.00 C ATOM 229 CD1 ILE A 16 3.820 7.421 0.636 1.00 0.00 C ATOM 0 H ILE A 16 5.281 3.647 0.380 1.00 0.00 H new ATOM 0 HA ILE A 16 6.487 5.278 -1.728 1.00 0.00 H new ATOM 0 HB ILE A 16 6.086 5.890 1.212 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.335 6.493 -1.207 1.00 0.00 H new ATOM 0 HG13 ILE A 16 3.944 5.371 0.082 1.00 0.00 H new ATOM 0 HG21 ILE A 16 6.308 8.221 0.470 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.770 7.274 0.105 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.616 7.664 -1.192 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.764 7.486 0.372 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.916 7.224 1.704 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.313 8.363 0.395 1.00 0.00 H new ATOM 241 N GLU A 17 8.765 4.417 -1.255 1.00 0.00 N ATOM 242 CA GLU A 17 10.108 3.948 -1.010 1.00 0.00 C ATOM 243 C GLU A 17 11.105 4.964 -1.524 1.00 0.00 C ATOM 244 O GLU A 17 11.043 5.387 -2.682 1.00 0.00 O ATOM 245 CB GLU A 17 10.314 2.569 -1.662 1.00 0.00 C ATOM 246 CG GLU A 17 11.710 1.973 -1.491 1.00 0.00 C ATOM 247 CD GLU A 17 12.720 2.498 -2.497 1.00 0.00 C ATOM 248 OE1 GLU A 17 12.563 2.212 -3.702 1.00 0.00 O ATOM 249 OE2 GLU A 17 13.672 3.196 -2.091 1.00 0.00 O ATOM 0 H GLU A 17 8.544 4.571 -2.239 1.00 0.00 H new ATOM 0 HA GLU A 17 10.266 3.833 0.062 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.586 1.874 -1.244 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.100 2.653 -2.727 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.067 2.187 -0.484 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.647 0.889 -1.583 1.00 0.00 H new ATOM 256 N ARG A 18 11.995 5.363 -0.642 1.00 0.00 N ATOM 257 CA ARG A 18 13.051 6.295 -0.963 1.00 0.00 C ATOM 258 C ARG A 18 14.244 5.955 -0.081 1.00 0.00 C ATOM 259 O ARG A 18 14.048 5.540 1.063 1.00 0.00 O ATOM 260 CB ARG A 18 12.585 7.735 -0.724 1.00 0.00 C ATOM 261 CG ARG A 18 13.426 8.773 -1.443 1.00 0.00 C ATOM 262 CD ARG A 18 13.260 8.679 -2.954 1.00 0.00 C ATOM 263 NE ARG A 18 14.133 9.621 -3.655 1.00 0.00 N ATOM 264 CZ ARG A 18 14.011 9.940 -4.945 1.00 0.00 C ATOM 265 NH1 ARG A 18 13.066 9.377 -5.688 1.00 0.00 N ATOM 266 NH2 ARG A 18 14.843 10.817 -5.495 1.00 0.00 N ATOM 0 H ARG A 18 12.005 5.046 0.327 1.00 0.00 H new ATOM 0 HA ARG A 18 13.327 6.217 -2.015 1.00 0.00 H new ATOM 0 HB2 ARG A 18 11.549 7.831 -1.048 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.605 7.941 0.346 1.00 0.00 H new ATOM 0 HG2 ARG A 18 13.141 9.770 -1.106 1.00 0.00 H new ATOM 0 HG3 ARG A 18 14.475 8.636 -1.182 1.00 0.00 H new ATOM 0 HD2 ARG A 18 13.483 7.664 -3.282 1.00 0.00 H new ATOM 0 HD3 ARG A 18 12.222 8.879 -3.219 1.00 0.00 H new ATOM 0 HE ARG A 18 14.883 10.062 -3.123 1.00 0.00 H new ATOM 0 HH11 ARG A 18 12.429 8.697 -5.273 1.00 0.00 H new ATOM 0 HH12 ARG A 18 12.977 9.624 -6.674 1.00 0.00 H new ATOM 0 HH21 ARG A 18 15.576 11.247 -4.931 1.00 0.00 H new ATOM 0 HH22 ARG A 18 14.749 11.060 -6.481 1.00 0.00 H new ATOM 280 N ASP A 19 15.461 6.095 -0.623 1.00 0.00 N ATOM 281 CA ASP A 19 16.709 5.700 0.066 1.00 0.00 C ATOM 282 C ASP A 19 16.955 4.208 -0.070 1.00 0.00 C ATOM 283 O ASP A 19 18.092 3.742 0.000 1.00 0.00 O ATOM 284 CB ASP A 19 16.696 6.056 1.569 1.00 0.00 C ATOM 285 CG ASP A 19 18.008 5.744 2.267 1.00 0.00 C ATOM 286 OD1 ASP A 19 18.170 4.613 2.775 1.00 0.00 O ATOM 287 OD2 ASP A 19 18.876 6.635 2.336 1.00 0.00 O ATOM 0 H ASP A 19 15.614 6.485 -1.553 1.00 0.00 H new ATOM 0 HA ASP A 19 17.508 6.262 -0.418 1.00 0.00 H new ATOM 0 HB2 ASP A 19 16.474 7.117 1.683 1.00 0.00 H new ATOM 0 HB3 ASP A 19 15.891 5.508 2.059 1.00 0.00 H new ATOM 292 N GLY A 20 15.898 3.470 -0.323 1.00 0.00 N ATOM 293 CA GLY A 20 15.925 2.042 -0.129 1.00 0.00 C ATOM 294 C GLY A 20 15.057 1.670 1.049 1.00 0.00 C ATOM 295 O GLY A 20 15.014 0.517 1.473 1.00 0.00 O ATOM 0 H GLY A 20 15.009 3.837 -0.664 1.00 0.00 H new ATOM 0 HA2 GLY A 20 15.571 1.537 -1.028 1.00 0.00 H new ATOM 0 HA3 GLY A 20 16.948 1.708 0.042 1.00 0.00 H new ATOM 299 N LYS A 21 14.369 2.674 1.584 1.00 0.00 N ATOM 300 CA LYS A 21 13.503 2.491 2.736 1.00 0.00 C ATOM 301 C LYS A 21 12.052 2.736 2.338 1.00 0.00 C ATOM 302 O LYS A 21 11.769 3.584 1.494 1.00 0.00 O ATOM 303 CB LYS A 21 13.890 3.457 3.862 1.00 0.00 C ATOM 304 CG LYS A 21 15.389 3.582 4.093 1.00 0.00 C ATOM 305 CD LYS A 21 15.753 3.225 5.523 1.00 0.00 C ATOM 306 CE LYS A 21 17.220 2.842 5.663 1.00 0.00 C ATOM 307 NZ LYS A 21 18.137 3.965 5.329 1.00 0.00 N ATOM 0 H LYS A 21 14.398 3.631 1.231 1.00 0.00 H new ATOM 0 HA LYS A 21 13.618 1.468 3.093 1.00 0.00 H new ATOM 0 HB2 LYS A 21 13.486 4.443 3.633 1.00 0.00 H new ATOM 0 HB3 LYS A 21 13.418 3.126 4.787 1.00 0.00 H new ATOM 0 HG2 LYS A 21 15.922 2.927 3.404 1.00 0.00 H new ATOM 0 HG3 LYS A 21 15.710 4.601 3.876 1.00 0.00 H new ATOM 0 HD2 LYS A 21 15.536 4.072 6.174 1.00 0.00 H new ATOM 0 HD3 LYS A 21 15.129 2.397 5.859 1.00 0.00 H new ATOM 0 HE2 LYS A 21 17.410 2.514 6.685 1.00 0.00 H new ATOM 0 HE3 LYS A 21 17.435 1.996 5.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 19.032 3.847 5.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 18.324 3.968 4.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 17.696 4.866 5.603 1.00 0.00 H new ATOM 321 N ILE A 22 11.142 1.999 2.949 1.00 0.00 N ATOM 322 CA ILE A 22 9.724 2.121 2.651 1.00 0.00 C ATOM 323 C ILE A 22 9.016 2.831 3.801 1.00 0.00 C ATOM 324 O ILE A 22 9.424 2.708 4.959 1.00 0.00 O ATOM 325 CB ILE A 22 9.087 0.730 2.417 1.00 0.00 C ATOM 326 CG1 ILE A 22 9.955 -0.089 1.463 1.00 0.00 C ATOM 327 CG2 ILE A 22 7.674 0.858 1.857 1.00 0.00 C ATOM 328 CD1 ILE A 22 9.468 -1.504 1.270 1.00 0.00 C ATOM 0 H ILE A 22 11.362 1.303 3.661 1.00 0.00 H new ATOM 0 HA ILE A 22 9.611 2.706 1.738 1.00 0.00 H new ATOM 0 HB ILE A 22 9.026 0.219 3.378 1.00 0.00 H new ATOM 0 HG12 ILE A 22 9.988 0.411 0.495 1.00 0.00 H new ATOM 0 HG13 ILE A 22 10.976 -0.113 1.844 1.00 0.00 H new ATOM 0 HG21 ILE A 22 7.252 -0.135 1.703 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.052 1.411 2.561 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.706 1.390 0.906 1.00 0.00 H new ATOM 0 HD11 ILE A 22 10.132 -2.026 0.581 1.00 0.00 H new ATOM 0 HD12 ILE A 22 9.462 -2.021 2.230 1.00 0.00 H new ATOM 0 HD13 ILE A 22 8.458 -1.489 0.860 1.00 0.00 H new ATOM 340 N LEU A 23 7.984 3.593 3.472 1.00 0.00 N ATOM 341 CA LEU A 23 7.230 4.341 4.464 1.00 0.00 C ATOM 342 C LEU A 23 6.081 3.510 5.032 1.00 0.00 C ATOM 343 O LEU A 23 5.216 3.030 4.298 1.00 0.00 O ATOM 344 CB LEU A 23 6.693 5.635 3.847 1.00 0.00 C ATOM 345 CG LEU A 23 5.937 6.549 4.812 1.00 0.00 C ATOM 346 CD1 LEU A 23 6.840 6.990 5.952 1.00 0.00 C ATOM 347 CD2 LEU A 23 5.387 7.755 4.069 1.00 0.00 C ATOM 0 H LEU A 23 7.648 3.709 2.516 1.00 0.00 H new ATOM 0 HA LEU A 23 7.903 4.587 5.286 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.529 6.192 3.424 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.030 5.378 3.021 1.00 0.00 H new ATOM 0 HG LEU A 23 5.103 5.991 5.237 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.283 7.640 6.627 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.191 6.114 6.498 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.695 7.533 5.550 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.851 8.399 4.766 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.209 8.312 3.620 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.706 7.421 3.287 1.00 0.00 H new ATOM 359 N LEU A 24 6.094 3.349 6.344 1.00 0.00 N ATOM 360 CA LEU A 24 5.050 2.611 7.043 1.00 0.00 C ATOM 361 C LEU A 24 4.229 3.561 7.900 1.00 0.00 C ATOM 362 O LEU A 24 4.783 4.451 8.542 1.00 0.00 O ATOM 363 CB LEU A 24 5.646 1.512 7.932 1.00 0.00 C ATOM 364 CG LEU A 24 6.260 0.305 7.206 1.00 0.00 C ATOM 365 CD1 LEU A 24 7.545 0.683 6.491 1.00 0.00 C ATOM 366 CD2 LEU A 24 6.515 -0.832 8.185 1.00 0.00 C ATOM 0 H LEU A 24 6.822 3.722 6.953 1.00 0.00 H new ATOM 0 HA LEU A 24 4.412 2.142 6.294 1.00 0.00 H new ATOM 0 HB2 LEU A 24 6.415 1.961 8.560 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.863 1.149 8.597 1.00 0.00 H new ATOM 0 HG LEU A 24 5.545 -0.030 6.455 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.953 -0.194 5.988 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.337 1.460 5.755 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.269 1.055 7.216 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.950 -1.679 7.654 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.204 -0.497 8.960 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.574 -1.136 8.643 1.00 0.00 H new ATOM 378 N ALA A 25 2.915 3.377 7.915 1.00 0.00 N ATOM 379 CA ALA A 25 2.052 4.219 8.726 1.00 0.00 C ATOM 380 C ALA A 25 1.278 3.381 9.739 1.00 0.00 C ATOM 381 O ALA A 25 0.442 2.552 9.378 1.00 0.00 O ATOM 382 CB ALA A 25 1.111 5.035 7.852 1.00 0.00 C ATOM 0 H ALA A 25 2.429 2.658 7.379 1.00 0.00 H new ATOM 0 HA ALA A 25 2.680 4.918 9.279 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.476 5.657 8.483 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.693 5.671 7.185 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.489 4.363 7.261 1.00 0.00 H new ATOM 388 N GLN A 26 1.574 3.618 11.007 1.00 0.00 N ATOM 389 CA GLN A 26 1.013 2.854 12.113 1.00 0.00 C ATOM 390 C GLN A 26 -0.469 3.142 12.298 1.00 0.00 C ATOM 391 O GLN A 26 -0.837 4.224 12.756 1.00 0.00 O ATOM 392 CB GLN A 26 1.762 3.201 13.400 1.00 0.00 C ATOM 393 CG GLN A 26 1.257 2.474 14.635 1.00 0.00 C ATOM 394 CD GLN A 26 1.834 3.046 15.914 1.00 0.00 C ATOM 395 OE1 GLN A 26 1.252 3.947 16.518 1.00 0.00 O ATOM 396 NE2 GLN A 26 2.980 2.533 16.332 1.00 0.00 N ATOM 0 H GLN A 26 2.217 4.353 11.302 1.00 0.00 H new ATOM 0 HA GLN A 26 1.125 1.794 11.883 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.819 2.971 13.264 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.689 4.275 13.570 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.169 2.535 14.671 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.515 1.417 14.563 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.429 1.787 15.801 1.00 0.00 H new ATOM 0 HE22 GLN A 26 3.415 2.884 17.186 1.00 0.00 H new ATOM 405 N ARG A 27 -1.289 2.165 11.904 1.00 0.00 N ATOM 406 CA ARG A 27 -2.744 2.168 12.106 1.00 0.00 C ATOM 407 C ARG A 27 -3.364 1.216 11.098 1.00 0.00 C ATOM 408 O ARG A 27 -3.484 1.553 9.926 1.00 0.00 O ATOM 409 CB ARG A 27 -3.373 3.564 11.941 1.00 0.00 C ATOM 410 CG ARG A 27 -4.734 3.714 12.618 1.00 0.00 C ATOM 411 CD ARG A 27 -5.862 3.088 11.808 1.00 0.00 C ATOM 412 NE ARG A 27 -6.561 4.071 10.981 1.00 0.00 N ATOM 413 CZ ARG A 27 -6.915 3.873 9.710 1.00 0.00 C ATOM 414 NH1 ARG A 27 -6.562 2.755 9.081 1.00 0.00 N ATOM 415 NH2 ARG A 27 -7.620 4.798 9.072 1.00 0.00 N ATOM 0 H ARG A 27 -0.954 1.329 11.424 1.00 0.00 H new ATOM 0 HA ARG A 27 -2.940 1.855 13.131 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.691 4.310 12.350 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.481 3.780 10.878 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.699 3.250 13.604 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.945 4.772 12.771 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.456 2.302 11.171 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.573 2.614 12.485 1.00 0.00 H new ATOM 0 HE ARG A 27 -6.794 4.969 11.405 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -6.018 2.044 9.571 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -6.835 2.609 8.109 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -7.889 5.656 9.553 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -7.893 4.651 8.100 1.00 0.00 H new ATOM 429 N PRO A 28 -3.766 0.015 11.535 1.00 0.00 N ATOM 430 CA PRO A 28 -4.314 -1.002 10.643 1.00 0.00 C ATOM 431 C PRO A 28 -5.787 -0.749 10.346 1.00 0.00 C ATOM 432 O PRO A 28 -6.261 0.381 10.449 1.00 0.00 O ATOM 433 CB PRO A 28 -4.129 -2.275 11.455 1.00 0.00 C ATOM 434 CG PRO A 28 -4.366 -1.825 12.844 1.00 0.00 C ATOM 435 CD PRO A 28 -3.755 -0.447 12.935 1.00 0.00 C ATOM 0 HA PRO A 28 -3.831 -1.029 9.666 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -4.835 -3.050 11.156 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.129 -2.690 11.331 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.432 -1.797 13.070 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -3.906 -2.506 13.560 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -4.337 0.210 13.581 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -2.744 -0.480 13.341 1.00 0.00 H new ATOM 443 N ALA A 29 -6.515 -1.798 10.006 1.00 0.00 N ATOM 444 CA ALA A 29 -7.904 -1.640 9.606 1.00 0.00 C ATOM 445 C ALA A 29 -8.776 -2.792 10.077 1.00 0.00 C ATOM 446 O ALA A 29 -9.900 -2.591 10.533 1.00 0.00 O ATOM 447 CB ALA A 29 -7.983 -1.497 8.102 1.00 0.00 C ATOM 0 H ALA A 29 -6.173 -2.759 9.998 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.288 -0.739 10.084 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.024 -1.379 7.802 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.413 -0.622 7.789 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.568 -2.387 7.630 1.00 0.00 H new ATOM 453 N GLN A 30 -8.267 -3.999 9.947 1.00 0.00 N ATOM 454 CA GLN A 30 -8.993 -5.180 10.387 1.00 0.00 C ATOM 455 C GLN A 30 -8.556 -5.583 11.791 1.00 0.00 C ATOM 456 O GLN A 30 -8.999 -6.597 12.330 1.00 0.00 O ATOM 457 CB GLN A 30 -8.760 -6.324 9.404 1.00 0.00 C ATOM 458 CG GLN A 30 -7.304 -6.473 9.010 1.00 0.00 C ATOM 459 CD GLN A 30 -7.030 -7.756 8.254 1.00 0.00 C ATOM 460 OE1 GLN A 30 -7.061 -7.786 7.024 1.00 0.00 O ATOM 461 NE2 GLN A 30 -6.781 -8.831 8.983 1.00 0.00 N ATOM 0 H GLN A 30 -7.352 -4.192 9.540 1.00 0.00 H new ATOM 0 HA GLN A 30 -10.058 -4.951 10.416 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -9.108 -7.256 9.849 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -9.358 -6.155 8.509 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -7.010 -5.623 8.394 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -6.685 -6.445 9.907 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.764 -8.764 10.001 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -6.606 -9.727 8.528 1.00 0.00 H new ATOM 470 N SER A 31 -7.684 -4.775 12.376 1.00 0.00 N ATOM 471 CA SER A 31 -7.168 -5.043 13.711 1.00 0.00 C ATOM 472 C SER A 31 -7.518 -3.900 14.661 1.00 0.00 C ATOM 473 O SER A 31 -7.982 -4.132 15.775 1.00 0.00 O ATOM 474 CB SER A 31 -5.653 -5.236 13.655 1.00 0.00 C ATOM 475 OG SER A 31 -5.301 -6.198 12.677 1.00 0.00 O ATOM 0 H SER A 31 -7.318 -3.926 11.946 1.00 0.00 H new ATOM 0 HA SER A 31 -7.630 -5.956 14.086 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.170 -4.286 13.427 1.00 0.00 H new ATOM 0 HB3 SER A 31 -5.287 -5.553 14.631 1.00 0.00 H new ATOM 0 HG SER A 31 -4.327 -6.304 12.658 1.00 0.00 H new ATOM 481 N ASP A 32 -7.265 -2.669 14.205 1.00 0.00 N ATOM 482 CA ASP A 32 -7.579 -1.446 14.962 1.00 0.00 C ATOM 483 C ASP A 32 -6.695 -1.282 16.194 1.00 0.00 C ATOM 484 O ASP A 32 -6.813 -0.295 16.920 1.00 0.00 O ATOM 485 CB ASP A 32 -9.054 -1.410 15.374 1.00 0.00 C ATOM 486 CG ASP A 32 -9.984 -1.300 14.189 1.00 0.00 C ATOM 487 OD1 ASP A 32 -10.227 -0.166 13.722 1.00 0.00 O ATOM 488 OD2 ASP A 32 -10.474 -2.347 13.722 1.00 0.00 O ATOM 0 H ASP A 32 -6.835 -2.489 13.298 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.376 -0.611 14.291 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.293 -2.313 15.936 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.221 -0.565 16.042 1.00 0.00 H new ATOM 493 N GLN A 33 -5.800 -2.230 16.416 1.00 0.00 N ATOM 494 CA GLN A 33 -4.916 -2.183 17.569 1.00 0.00 C ATOM 495 C GLN A 33 -3.696 -1.335 17.251 1.00 0.00 C ATOM 496 O GLN A 33 -3.194 -1.354 16.124 1.00 0.00 O ATOM 497 CB GLN A 33 -4.489 -3.597 17.975 1.00 0.00 C ATOM 498 CG GLN A 33 -5.638 -4.589 17.978 1.00 0.00 C ATOM 499 CD GLN A 33 -5.281 -5.920 18.614 1.00 0.00 C ATOM 500 OE1 GLN A 33 -4.012 -6.293 18.562 1.00 0.00 O flip ATOM 501 NE2 GLN A 33 -6.146 -6.609 19.153 1.00 0.00 N flip ATOM 0 H GLN A 33 -5.666 -3.042 15.813 1.00 0.00 H new ATOM 0 HA GLN A 33 -5.452 -1.733 18.404 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.716 -3.947 17.290 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -4.043 -3.564 18.969 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -6.483 -4.154 18.512 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.964 -4.760 16.952 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -7.114 -6.288 19.173 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -5.895 -7.501 19.580 1.00 0.00 H new ATOM 510 N ALA A 34 -3.228 -0.590 18.235 1.00 0.00 N ATOM 511 CA ALA A 34 -2.089 0.287 18.045 1.00 0.00 C ATOM 512 C ALA A 34 -0.786 -0.497 18.102 1.00 0.00 C ATOM 513 O ALA A 34 -0.666 -1.482 18.835 1.00 0.00 O ATOM 514 CB ALA A 34 -2.089 1.395 19.087 1.00 0.00 C ATOM 0 H ALA A 34 -3.621 -0.575 19.176 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.171 0.740 17.057 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.227 2.043 18.929 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.004 1.980 18.996 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.036 0.957 20.084 1.00 0.00 H new ATOM 520 N GLY A 35 0.182 -0.053 17.320 1.00 0.00 N ATOM 521 CA GLY A 35 1.484 -0.683 17.314 1.00 0.00 C ATOM 522 C GLY A 35 1.810 -1.336 15.997 1.00 0.00 C ATOM 523 O GLY A 35 2.975 -1.418 15.613 1.00 0.00 O ATOM 0 H GLY A 35 0.089 0.739 16.684 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.245 0.063 17.542 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.524 -1.432 18.105 1.00 0.00 H new ATOM 527 N LEU A 36 0.791 -1.791 15.291 1.00 0.00 N ATOM 528 CA LEU A 36 0.991 -2.433 14.006 1.00 0.00 C ATOM 529 C LEU A 36 1.028 -1.418 12.873 1.00 0.00 C ATOM 530 O LEU A 36 0.443 -0.335 12.965 1.00 0.00 O ATOM 531 CB LEU A 36 -0.106 -3.465 13.768 1.00 0.00 C ATOM 532 CG LEU A 36 -0.245 -4.506 14.878 1.00 0.00 C ATOM 533 CD1 LEU A 36 -1.314 -4.100 15.881 1.00 0.00 C ATOM 534 CD2 LEU A 36 -0.549 -5.863 14.291 1.00 0.00 C ATOM 0 H LEU A 36 -0.183 -1.728 15.586 1.00 0.00 H new ATOM 0 HA LEU A 36 1.958 -2.936 14.023 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.057 -2.946 13.652 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.093 -3.979 12.828 1.00 0.00 H new ATOM 0 HG LEU A 36 0.704 -4.563 15.410 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.390 -4.860 16.659 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.046 -3.145 16.332 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.273 -4.004 15.372 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.645 -6.594 15.094 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.482 -5.816 13.730 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.261 -6.161 13.625 1.00 0.00 H new ATOM 546 N TRP A 37 1.711 -1.786 11.801 1.00 0.00 N ATOM 547 CA TRP A 37 1.937 -0.891 10.683 1.00 0.00 C ATOM 548 C TRP A 37 1.317 -1.459 9.416 1.00 0.00 C ATOM 549 O TRP A 37 1.151 -2.673 9.284 1.00 0.00 O ATOM 550 CB TRP A 37 3.442 -0.687 10.463 1.00 0.00 C ATOM 551 CG TRP A 37 4.181 -0.231 11.687 1.00 0.00 C ATOM 552 CD1 TRP A 37 4.599 -1.010 12.727 1.00 0.00 C ATOM 553 CD2 TRP A 37 4.598 1.105 11.995 1.00 0.00 C ATOM 554 NE1 TRP A 37 5.234 -0.242 13.668 1.00 0.00 N ATOM 555 CE2 TRP A 37 5.250 1.060 13.242 1.00 0.00 C ATOM 556 CE3 TRP A 37 4.481 2.337 11.343 1.00 0.00 C ATOM 557 CZ2 TRP A 37 5.781 2.196 13.848 1.00 0.00 C ATOM 558 CZ3 TRP A 37 5.010 3.464 11.947 1.00 0.00 C ATOM 559 CH2 TRP A 37 5.652 3.386 13.187 1.00 0.00 C ATOM 0 H TRP A 37 2.123 -2.712 11.684 1.00 0.00 H new ATOM 0 HA TRP A 37 1.471 0.067 10.912 1.00 0.00 H new ATOM 0 HB2 TRP A 37 3.878 -1.623 10.115 1.00 0.00 H new ATOM 0 HB3 TRP A 37 3.587 0.046 9.669 1.00 0.00 H new ATOM 0 HD1 TRP A 37 4.451 -2.077 12.798 1.00 0.00 H new ATOM 0 HE1 TRP A 37 5.630 -0.584 14.543 1.00 0.00 H new ATOM 0 HE3 TRP A 37 3.987 2.407 10.385 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 6.277 2.139 14.806 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 4.926 4.420 11.452 1.00 0.00 H new ATOM 0 HH2 TRP A 37 6.054 4.284 13.632 1.00 0.00 H new ATOM 570 N GLU A 38 0.980 -0.574 8.496 1.00 0.00 N ATOM 571 CA GLU A 38 0.519 -0.959 7.173 1.00 0.00 C ATOM 572 C GLU A 38 0.784 0.191 6.218 1.00 0.00 C ATOM 573 O GLU A 38 1.025 1.324 6.658 1.00 0.00 O ATOM 574 CB GLU A 38 -0.969 -1.354 7.162 1.00 0.00 C ATOM 575 CG GLU A 38 -1.912 -0.306 7.725 1.00 0.00 C ATOM 576 CD GLU A 38 -3.375 -0.652 7.494 1.00 0.00 C ATOM 577 OE1 GLU A 38 -3.772 -1.805 7.776 1.00 0.00 O ATOM 578 OE2 GLU A 38 -4.137 0.236 7.048 1.00 0.00 O ATOM 0 H GLU A 38 1.018 0.434 8.645 1.00 0.00 H new ATOM 0 HA GLU A 38 1.068 -1.845 6.856 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.264 -1.574 6.136 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.090 -2.275 7.733 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.732 -0.198 8.795 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.694 0.658 7.266 1.00 0.00 H new ATOM 585 N PHE A 39 0.777 -0.090 4.930 1.00 0.00 N ATOM 586 CA PHE A 39 1.090 0.925 3.938 1.00 0.00 C ATOM 587 C PHE A 39 -0.141 1.779 3.651 1.00 0.00 C ATOM 588 O PHE A 39 -1.270 1.293 3.687 1.00 0.00 O ATOM 589 CB PHE A 39 1.632 0.282 2.653 1.00 0.00 C ATOM 590 CG PHE A 39 2.950 -0.410 2.817 1.00 0.00 C ATOM 591 CD1 PHE A 39 3.536 -0.563 4.062 1.00 0.00 C ATOM 592 CD2 PHE A 39 3.598 -0.919 1.713 1.00 0.00 C ATOM 593 CE1 PHE A 39 4.743 -1.207 4.198 1.00 0.00 C ATOM 594 CE2 PHE A 39 4.803 -1.564 1.841 1.00 0.00 C ATOM 595 CZ PHE A 39 5.381 -1.713 3.084 1.00 0.00 C ATOM 0 H PHE A 39 0.559 -1.009 4.545 1.00 0.00 H new ATOM 0 HA PHE A 39 1.870 1.574 4.337 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.901 -0.438 2.285 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.733 1.053 1.890 1.00 0.00 H new ATOM 0 HD1 PHE A 39 3.039 -0.172 4.937 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.153 -0.809 0.735 1.00 0.00 H new ATOM 0 HE1 PHE A 39 5.191 -1.317 5.175 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.300 -1.956 0.966 1.00 0.00 H new ATOM 0 HZ PHE A 39 6.328 -2.223 3.185 1.00 0.00 H new ATOM 605 N ALA A 40 0.085 3.058 3.382 1.00 0.00 N ATOM 606 CA ALA A 40 -1.008 4.004 3.190 1.00 0.00 C ATOM 607 C ALA A 40 -1.681 3.805 1.837 1.00 0.00 C ATOM 608 O ALA A 40 -1.134 3.147 0.951 1.00 0.00 O ATOM 609 CB ALA A 40 -0.501 5.431 3.332 1.00 0.00 C ATOM 0 H ALA A 40 1.016 3.465 3.292 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.755 3.819 3.962 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.327 6.127 3.186 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.081 5.570 4.328 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.269 5.620 2.584 1.00 0.00 H new ATOM 615 N GLY A 41 -2.864 4.382 1.681 1.00 0.00 N ATOM 616 CA GLY A 41 -3.613 4.233 0.454 1.00 0.00 C ATOM 617 C GLY A 41 -5.082 4.506 0.668 1.00 0.00 C ATOM 618 O GLY A 41 -5.445 5.443 1.378 1.00 0.00 O ATOM 0 H GLY A 41 -3.320 4.955 2.391 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.220 4.917 -0.299 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.482 3.223 0.067 1.00 0.00 H new ATOM 622 N GLY A 42 -5.924 3.672 0.086 1.00 0.00 N ATOM 623 CA GLY A 42 -7.355 3.852 0.225 1.00 0.00 C ATOM 624 C GLY A 42 -8.136 3.061 -0.797 1.00 0.00 C ATOM 625 O GLY A 42 -7.547 2.416 -1.670 1.00 0.00 O ATOM 0 H GLY A 42 -5.645 2.872 -0.481 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.661 3.549 1.226 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.597 4.910 0.124 1.00 0.00 H new ATOM 629 N LYS A 43 -9.457 3.090 -0.686 1.00 0.00 N ATOM 630 CA LYS A 43 -10.305 2.382 -1.628 1.00 0.00 C ATOM 631 C LYS A 43 -10.413 3.174 -2.920 1.00 0.00 C ATOM 632 O LYS A 43 -10.341 4.402 -2.918 1.00 0.00 O ATOM 633 CB LYS A 43 -11.706 2.140 -1.055 1.00 0.00 C ATOM 634 CG LYS A 43 -12.416 0.957 -1.705 1.00 0.00 C ATOM 635 CD LYS A 43 -13.886 0.881 -1.335 1.00 0.00 C ATOM 636 CE LYS A 43 -14.746 1.739 -2.251 1.00 0.00 C ATOM 637 NZ LYS A 43 -14.649 1.315 -3.677 1.00 0.00 N ATOM 0 H LYS A 43 -9.960 3.594 0.044 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.848 1.412 -1.824 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.629 1.966 0.018 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -12.309 3.038 -1.190 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.322 1.032 -2.788 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.922 0.033 -1.406 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -14.221 -0.155 -1.388 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -14.018 1.206 -0.303 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -15.785 1.683 -1.927 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.440 2.781 -2.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.604 1.236 -4.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -14.104 2.020 -4.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -14.172 0.393 -3.733 1.00 0.00 H new ATOM 651 N VAL A 44 -10.604 2.466 -4.013 1.00 0.00 N ATOM 652 CA VAL A 44 -10.715 3.088 -5.315 1.00 0.00 C ATOM 653 C VAL A 44 -12.174 3.377 -5.612 1.00 0.00 C ATOM 654 O VAL A 44 -13.019 2.491 -5.498 1.00 0.00 O ATOM 655 CB VAL A 44 -10.145 2.172 -6.421 1.00 0.00 C ATOM 656 CG1 VAL A 44 -10.247 2.837 -7.785 1.00 0.00 C ATOM 657 CG2 VAL A 44 -8.706 1.796 -6.109 1.00 0.00 C ATOM 0 H VAL A 44 -10.686 1.449 -4.025 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.140 4.014 -5.302 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.741 1.260 -6.449 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.839 2.171 -8.546 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.293 3.047 -8.010 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.683 3.769 -7.778 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.319 1.151 -6.898 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.099 2.699 -6.049 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.666 1.268 -5.156 1.00 0.00 H new ATOM 667 N GLU A 45 -12.481 4.616 -5.945 1.00 0.00 N ATOM 668 CA GLU A 45 -13.818 4.959 -6.374 1.00 0.00 C ATOM 669 C GLU A 45 -13.852 4.978 -7.896 1.00 0.00 C ATOM 670 O GLU A 45 -12.939 5.502 -8.527 1.00 0.00 O ATOM 671 CB GLU A 45 -14.247 6.297 -5.763 1.00 0.00 C ATOM 672 CG GLU A 45 -14.285 6.249 -4.241 1.00 0.00 C ATOM 673 CD GLU A 45 -14.775 7.533 -3.609 1.00 0.00 C ATOM 674 OE1 GLU A 45 -16.003 7.758 -3.585 1.00 0.00 O ATOM 675 OE2 GLU A 45 -13.940 8.310 -3.101 1.00 0.00 O ATOM 0 H GLU A 45 -11.825 5.396 -5.926 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.533 4.214 -6.025 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.558 7.078 -6.083 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.233 6.568 -6.141 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.931 5.429 -3.927 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -13.285 6.028 -3.867 1.00 0.00 H new ATOM 682 N PRO A 46 -14.897 4.389 -8.502 1.00 0.00 N ATOM 683 CA PRO A 46 -14.946 4.104 -9.949 1.00 0.00 C ATOM 684 C PRO A 46 -14.927 5.340 -10.861 1.00 0.00 C ATOM 685 O PRO A 46 -15.222 5.236 -12.052 1.00 0.00 O ATOM 686 CB PRO A 46 -16.259 3.331 -10.122 1.00 0.00 C ATOM 687 CG PRO A 46 -17.081 3.680 -8.931 1.00 0.00 C ATOM 688 CD PRO A 46 -16.114 3.929 -7.811 1.00 0.00 C ATOM 0 HA PRO A 46 -14.052 3.559 -10.251 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -16.764 3.615 -11.045 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -16.079 2.257 -10.175 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -17.689 4.564 -9.124 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -17.766 2.870 -8.680 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -16.489 4.681 -7.117 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -15.929 3.024 -7.232 1.00 0.00 H new ATOM 696 N ASP A 47 -14.573 6.495 -10.320 1.00 0.00 N ATOM 697 CA ASP A 47 -14.389 7.692 -11.136 1.00 0.00 C ATOM 698 C ASP A 47 -12.911 7.961 -11.367 1.00 0.00 C ATOM 699 O ASP A 47 -12.522 8.630 -12.327 1.00 0.00 O ATOM 700 CB ASP A 47 -15.042 8.914 -10.481 1.00 0.00 C ATOM 701 CG ASP A 47 -14.798 10.192 -11.266 1.00 0.00 C ATOM 702 OD1 ASP A 47 -15.351 10.329 -12.377 1.00 0.00 O ATOM 703 OD2 ASP A 47 -14.062 11.073 -10.771 1.00 0.00 O ATOM 0 H ASP A 47 -14.407 6.632 -9.323 1.00 0.00 H new ATOM 0 HA ASP A 47 -14.873 7.514 -12.096 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.115 8.745 -10.392 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -14.653 9.032 -9.470 1.00 0.00 H new ATOM 708 N GLU A 48 -12.092 7.406 -10.498 1.00 0.00 N ATOM 709 CA GLU A 48 -10.661 7.660 -10.521 1.00 0.00 C ATOM 710 C GLU A 48 -9.900 6.421 -10.975 1.00 0.00 C ATOM 711 O GLU A 48 -10.373 5.294 -10.811 1.00 0.00 O ATOM 712 CB GLU A 48 -10.196 8.088 -9.126 1.00 0.00 C ATOM 713 CG GLU A 48 -10.304 6.984 -8.082 1.00 0.00 C ATOM 714 CD GLU A 48 -10.209 7.500 -6.665 1.00 0.00 C ATOM 715 OE1 GLU A 48 -9.399 8.412 -6.413 1.00 0.00 O ATOM 716 OE2 GLU A 48 -10.938 6.982 -5.791 1.00 0.00 O ATOM 0 H GLU A 48 -12.394 6.770 -9.760 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.456 8.461 -11.231 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.160 8.422 -9.184 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.789 8.943 -8.801 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.252 6.462 -8.210 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -9.513 6.253 -8.251 1.00 0.00 H new ATOM 723 N SER A 49 -8.737 6.633 -11.572 1.00 0.00 N ATOM 724 CA SER A 49 -7.873 5.531 -11.955 1.00 0.00 C ATOM 725 C SER A 49 -7.057 5.064 -10.749 1.00 0.00 C ATOM 726 O SER A 49 -6.929 5.788 -9.761 1.00 0.00 O ATOM 727 CB SER A 49 -6.949 5.949 -13.106 1.00 0.00 C ATOM 728 OG SER A 49 -6.232 4.838 -13.620 1.00 0.00 O ATOM 0 H SER A 49 -8.372 7.557 -11.801 1.00 0.00 H new ATOM 0 HA SER A 49 -8.491 4.702 -12.300 1.00 0.00 H new ATOM 0 HB2 SER A 49 -7.539 6.404 -13.902 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.248 6.707 -12.756 1.00 0.00 H new ATOM 0 HG SER A 49 -5.653 5.133 -14.353 1.00 0.00 H new ATOM 734 N GLN A 50 -6.511 3.853 -10.838 1.00 0.00 N ATOM 735 CA GLN A 50 -5.739 3.266 -9.743 1.00 0.00 C ATOM 736 C GLN A 50 -4.594 4.179 -9.305 1.00 0.00 C ATOM 737 O GLN A 50 -4.332 4.324 -8.111 1.00 0.00 O ATOM 738 CB GLN A 50 -5.188 1.900 -10.155 1.00 0.00 C ATOM 739 CG GLN A 50 -6.272 0.891 -10.498 1.00 0.00 C ATOM 740 CD GLN A 50 -5.715 -0.459 -10.902 1.00 0.00 C ATOM 741 OE1 GLN A 50 -5.537 -1.342 -10.067 1.00 0.00 O ATOM 742 NE2 GLN A 50 -5.426 -0.622 -12.185 1.00 0.00 N ATOM 0 H GLN A 50 -6.589 3.256 -11.661 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.413 3.144 -8.895 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.533 2.026 -11.017 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.576 1.504 -9.345 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.929 0.764 -9.637 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.883 1.284 -11.310 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.590 0.138 -12.845 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.040 -1.508 -12.512 1.00 0.00 H new ATOM 751 N ARG A 51 -3.921 4.798 -10.273 1.00 0.00 N ATOM 752 CA ARG A 51 -2.832 5.723 -9.962 1.00 0.00 C ATOM 753 C ARG A 51 -3.381 6.959 -9.275 1.00 0.00 C ATOM 754 O ARG A 51 -2.807 7.451 -8.306 1.00 0.00 O ATOM 755 CB ARG A 51 -2.080 6.164 -11.221 1.00 0.00 C ATOM 756 CG ARG A 51 -1.560 5.036 -12.091 1.00 0.00 C ATOM 757 CD ARG A 51 -0.761 5.595 -13.258 1.00 0.00 C ATOM 758 NE ARG A 51 -0.261 4.550 -14.149 1.00 0.00 N ATOM 759 CZ ARG A 51 0.790 4.708 -14.957 1.00 0.00 C ATOM 760 NH1 ARG A 51 1.446 5.863 -14.984 1.00 0.00 N ATOM 761 NH2 ARG A 51 1.178 3.711 -15.744 1.00 0.00 N ATOM 0 H ARG A 51 -4.107 4.678 -11.269 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.139 5.194 -9.307 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.743 6.788 -11.821 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.238 6.788 -10.922 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.933 4.370 -11.498 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.394 4.441 -12.464 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.388 6.283 -13.826 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.080 6.173 -12.874 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.742 3.650 -14.154 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.147 6.633 -14.386 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.248 5.979 -15.603 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.673 2.825 -15.731 1.00 0.00 H new ATOM 0 HH22 ARG A 51 1.981 3.831 -16.361 1.00 0.00 H new ATOM 775 N GLN A 52 -4.519 7.430 -9.765 1.00 0.00 N ATOM 776 CA GLN A 52 -5.118 8.661 -9.277 1.00 0.00 C ATOM 777 C GLN A 52 -5.589 8.480 -7.845 1.00 0.00 C ATOM 778 O GLN A 52 -5.417 9.368 -7.010 1.00 0.00 O ATOM 779 CB GLN A 52 -6.290 9.064 -10.174 1.00 0.00 C ATOM 780 CG GLN A 52 -7.013 10.322 -9.722 1.00 0.00 C ATOM 781 CD GLN A 52 -6.116 11.548 -9.692 1.00 0.00 C ATOM 782 OE1 GLN A 52 -5.153 11.653 -10.453 1.00 0.00 O ATOM 783 NE2 GLN A 52 -6.430 12.491 -8.817 1.00 0.00 N ATOM 0 H GLN A 52 -5.049 6.972 -10.507 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.370 9.453 -9.301 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -5.922 9.214 -11.189 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.004 8.241 -10.212 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -7.853 10.511 -10.390 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.427 10.158 -8.727 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -7.235 12.369 -8.203 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.867 13.339 -8.757 1.00 0.00 H new ATOM 792 N ALA A 53 -6.158 7.314 -7.569 1.00 0.00 N ATOM 793 CA ALA A 53 -6.630 6.990 -6.235 1.00 0.00 C ATOM 794 C ALA A 53 -5.488 7.067 -5.234 1.00 0.00 C ATOM 795 O ALA A 53 -5.621 7.683 -4.181 1.00 0.00 O ATOM 796 CB ALA A 53 -7.265 5.609 -6.216 1.00 0.00 C ATOM 0 H ALA A 53 -6.303 6.575 -8.257 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.387 7.720 -5.950 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.613 5.382 -5.208 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -8.109 5.587 -6.905 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.528 4.866 -6.521 1.00 0.00 H new ATOM 802 N LEU A 54 -4.350 6.474 -5.587 1.00 0.00 N ATOM 803 CA LEU A 54 -3.166 6.532 -4.739 1.00 0.00 C ATOM 804 C LEU A 54 -2.738 7.972 -4.529 1.00 0.00 C ATOM 805 O LEU A 54 -2.520 8.411 -3.407 1.00 0.00 O ATOM 806 CB LEU A 54 -2.018 5.750 -5.376 1.00 0.00 C ATOM 807 CG LEU A 54 -2.152 4.231 -5.318 1.00 0.00 C ATOM 808 CD1 LEU A 54 -1.102 3.569 -6.190 1.00 0.00 C ATOM 809 CD2 LEU A 54 -2.023 3.752 -3.884 1.00 0.00 C ATOM 0 H LEU A 54 -4.224 5.949 -6.453 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.414 6.086 -3.776 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.931 6.051 -6.420 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.089 6.035 -4.883 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.136 3.954 -5.696 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.214 2.486 -6.135 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.228 3.895 -7.222 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.109 3.849 -5.840 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.120 2.667 -3.853 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.048 4.041 -3.490 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.808 4.204 -3.277 1.00 0.00 H new ATOM 821 N VAL A 55 -2.662 8.707 -5.625 1.00 0.00 N ATOM 822 CA VAL A 55 -2.203 10.086 -5.600 1.00 0.00 C ATOM 823 C VAL A 55 -3.086 10.954 -4.708 1.00 0.00 C ATOM 824 O VAL A 55 -2.585 11.717 -3.883 1.00 0.00 O ATOM 825 CB VAL A 55 -2.159 10.686 -7.020 1.00 0.00 C ATOM 826 CG1 VAL A 55 -1.828 12.169 -6.975 1.00 0.00 C ATOM 827 CG2 VAL A 55 -1.147 9.943 -7.873 1.00 0.00 C ATOM 0 H VAL A 55 -2.915 8.368 -6.553 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.194 10.075 -5.188 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.146 10.574 -7.468 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.803 12.567 -7.989 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.589 12.694 -6.397 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.854 12.310 -6.506 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.126 10.376 -8.873 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.159 10.026 -7.420 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.429 8.892 -7.939 1.00 0.00 H new ATOM 837 N ARG A 56 -4.395 10.828 -4.858 1.00 0.00 N ATOM 838 CA ARG A 56 -5.306 11.667 -4.104 1.00 0.00 C ATOM 839 C ARG A 56 -5.435 11.189 -2.659 1.00 0.00 C ATOM 840 O ARG A 56 -5.462 12.007 -1.747 1.00 0.00 O ATOM 841 CB ARG A 56 -6.668 11.769 -4.807 1.00 0.00 C ATOM 842 CG ARG A 56 -7.469 10.481 -4.880 1.00 0.00 C ATOM 843 CD ARG A 56 -8.473 10.380 -3.746 1.00 0.00 C ATOM 844 NE ARG A 56 -9.382 9.260 -3.937 1.00 0.00 N ATOM 845 CZ ARG A 56 -10.168 8.771 -2.990 1.00 0.00 C ATOM 846 NH1 ARG A 56 -10.188 9.331 -1.787 1.00 0.00 N ATOM 847 NH2 ARG A 56 -10.941 7.728 -3.253 1.00 0.00 N ATOM 0 H ARG A 56 -4.844 10.162 -5.487 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.888 12.673 -4.065 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.267 12.519 -4.291 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.506 12.133 -5.822 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.992 10.431 -5.835 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.791 9.628 -4.843 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.944 10.264 -2.800 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.044 11.306 -3.680 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.416 8.824 -4.858 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.597 10.139 -1.591 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.794 8.953 -1.059 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.929 7.305 -4.181 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.548 7.347 -2.527 1.00 0.00 H new ATOM 861 N GLU A 57 -5.488 9.877 -2.447 1.00 0.00 N ATOM 862 CA GLU A 57 -5.553 9.331 -1.091 1.00 0.00 C ATOM 863 C GLU A 57 -4.317 9.705 -0.281 1.00 0.00 C ATOM 864 O GLU A 57 -4.423 10.058 0.889 1.00 0.00 O ATOM 865 CB GLU A 57 -5.742 7.810 -1.106 1.00 0.00 C ATOM 866 CG GLU A 57 -7.176 7.373 -1.384 1.00 0.00 C ATOM 867 CD GLU A 57 -8.125 7.674 -0.234 1.00 0.00 C ATOM 868 OE1 GLU A 57 -8.178 8.834 0.220 1.00 0.00 O ATOM 869 OE2 GLU A 57 -8.832 6.747 0.220 1.00 0.00 O ATOM 0 H GLU A 57 -5.487 9.176 -3.188 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.424 9.776 -0.609 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.087 7.379 -1.863 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.428 7.404 -0.144 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.534 7.874 -2.283 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.190 6.302 -1.588 1.00 0.00 H new ATOM 876 N LEU A 58 -3.142 9.658 -0.901 1.00 0.00 N ATOM 877 CA LEU A 58 -1.926 10.068 -0.205 1.00 0.00 C ATOM 878 C LEU A 58 -1.928 11.574 -0.007 1.00 0.00 C ATOM 879 O LEU A 58 -1.329 12.084 0.925 1.00 0.00 O ATOM 880 CB LEU A 58 -0.663 9.663 -0.958 1.00 0.00 C ATOM 881 CG LEU A 58 -0.567 8.187 -1.348 1.00 0.00 C ATOM 882 CD1 LEU A 58 0.785 7.889 -1.977 1.00 0.00 C ATOM 883 CD2 LEU A 58 -0.811 7.290 -0.147 1.00 0.00 C ATOM 0 H LEU A 58 -3.006 9.347 -1.863 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.919 9.558 0.758 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.594 10.264 -1.864 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.201 9.914 -0.343 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.343 7.979 -2.085 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.836 6.834 -2.248 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.913 8.500 -2.870 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.577 8.119 -1.264 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.737 6.246 -0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.065 7.498 0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.806 7.481 0.254 1.00 0.00 H new ATOM 895 N ARG A 59 -2.578 12.289 -0.909 1.00 0.00 N ATOM 896 CA ARG A 59 -2.765 13.719 -0.743 1.00 0.00 C ATOM 897 C ARG A 59 -3.670 14.009 0.451 1.00 0.00 C ATOM 898 O ARG A 59 -3.463 14.981 1.181 1.00 0.00 O ATOM 899 CB ARG A 59 -3.351 14.329 -2.016 1.00 0.00 C ATOM 900 CG ARG A 59 -3.634 15.812 -1.900 1.00 0.00 C ATOM 901 CD ARG A 59 -4.031 16.412 -3.238 1.00 0.00 C ATOM 902 NE ARG A 59 -4.188 17.862 -3.160 1.00 0.00 N ATOM 903 CZ ARG A 59 -3.438 18.732 -3.835 1.00 0.00 C ATOM 904 NH1 ARG A 59 -2.485 18.303 -4.653 1.00 0.00 N ATOM 905 NH2 ARG A 59 -3.647 20.033 -3.694 1.00 0.00 N ATOM 0 H ARG A 59 -2.984 11.904 -1.762 1.00 0.00 H new ATOM 0 HA ARG A 59 -1.792 14.173 -0.554 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.659 14.163 -2.841 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.276 13.809 -2.266 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.433 15.975 -1.176 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.750 16.323 -1.519 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.274 16.168 -3.984 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.966 15.963 -3.574 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.918 18.232 -2.551 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -2.324 17.302 -4.768 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -1.914 18.974 -5.167 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.381 20.367 -3.069 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -3.074 20.700 -4.210 1.00 0.00 H new ATOM 919 N GLU A 60 -4.674 13.166 0.647 1.00 0.00 N ATOM 920 CA GLU A 60 -5.610 13.350 1.741 1.00 0.00 C ATOM 921 C GLU A 60 -5.047 12.821 3.058 1.00 0.00 C ATOM 922 O GLU A 60 -5.250 13.431 4.110 1.00 0.00 O ATOM 923 CB GLU A 60 -6.947 12.666 1.428 1.00 0.00 C ATOM 924 CG GLU A 60 -7.553 13.096 0.102 1.00 0.00 C ATOM 925 CD GLU A 60 -8.985 12.621 -0.074 1.00 0.00 C ATOM 926 OE1 GLU A 60 -9.824 12.919 0.801 1.00 0.00 O ATOM 927 OE2 GLU A 60 -9.288 11.974 -1.101 1.00 0.00 O ATOM 0 H GLU A 60 -4.859 12.351 0.063 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.776 14.422 1.852 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.800 11.586 1.418 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.654 12.884 2.229 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.525 14.183 0.031 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.943 12.707 -0.714 1.00 0.00 H new ATOM 934 N GLU A 61 -4.357 11.691 3.005 1.00 0.00 N ATOM 935 CA GLU A 61 -3.762 11.116 4.205 1.00 0.00 C ATOM 936 C GLU A 61 -2.407 11.724 4.508 1.00 0.00 C ATOM 937 O GLU A 61 -2.177 12.222 5.608 1.00 0.00 O ATOM 938 CB GLU A 61 -3.576 9.604 4.076 1.00 0.00 C ATOM 939 CG GLU A 61 -4.695 8.775 4.653 1.00 0.00 C ATOM 940 CD GLU A 61 -4.138 7.663 5.517 1.00 0.00 C ATOM 941 OE1 GLU A 61 -3.697 7.963 6.656 1.00 0.00 O ATOM 942 OE2 GLU A 61 -4.122 6.500 5.067 1.00 0.00 O ATOM 0 H GLU A 61 -4.195 11.157 2.151 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.457 11.337 5.015 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -3.466 9.355 3.021 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.645 9.324 4.568 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.356 9.407 5.245 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.295 8.352 3.847 1.00 0.00 H new ATOM 949 N LEU A 62 -1.523 11.704 3.523 1.00 0.00 N ATOM 950 CA LEU A 62 -0.125 12.010 3.760 1.00 0.00 C ATOM 951 C LEU A 62 0.237 13.403 3.269 1.00 0.00 C ATOM 952 O LEU A 62 1.406 13.773 3.285 1.00 0.00 O ATOM 953 CB LEU A 62 0.764 10.973 3.065 1.00 0.00 C ATOM 954 CG LEU A 62 0.367 9.509 3.275 1.00 0.00 C ATOM 955 CD1 LEU A 62 1.316 8.599 2.527 1.00 0.00 C ATOM 956 CD2 LEU A 62 0.350 9.146 4.751 1.00 0.00 C ATOM 0 H LEU A 62 -1.750 11.479 2.554 1.00 0.00 H new ATOM 0 HA LEU A 62 0.042 11.977 4.837 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.764 11.180 1.995 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.788 11.106 3.415 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.642 9.376 2.884 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.024 7.561 2.684 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.278 8.830 1.462 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.331 8.750 2.895 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.064 8.100 4.865 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.342 9.299 5.175 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.369 9.778 5.273 1.00 0.00 H new ATOM 968 N GLY A 63 -0.768 14.181 2.875 1.00 0.00 N ATOM 969 CA GLY A 63 -0.528 15.495 2.296 1.00 0.00 C ATOM 970 C GLY A 63 0.554 15.538 1.223 1.00 0.00 C ATOM 971 O GLY A 63 1.233 16.555 1.078 1.00 0.00 O ATOM 0 H GLY A 63 -1.752 13.923 2.947 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.460 15.862 1.866 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.253 16.183 3.095 1.00 0.00 H new ATOM 975 N ILE A 64 0.724 14.461 0.458 1.00 0.00 N ATOM 976 CA ILE A 64 1.756 14.446 -0.575 1.00 0.00 C ATOM 977 C ILE A 64 1.168 14.169 -1.948 1.00 0.00 C ATOM 978 O ILE A 64 0.230 13.386 -2.100 1.00 0.00 O ATOM 979 CB ILE A 64 2.894 13.425 -0.303 1.00 0.00 C ATOM 980 CG1 ILE A 64 2.350 12.000 -0.166 1.00 0.00 C ATOM 981 CG2 ILE A 64 3.685 13.815 0.935 1.00 0.00 C ATOM 982 CD1 ILE A 64 3.439 10.951 -0.039 1.00 0.00 C ATOM 0 H ILE A 64 0.174 13.605 0.531 1.00 0.00 H new ATOM 0 HA ILE A 64 2.191 15.445 -0.549 1.00 0.00 H new ATOM 0 HB ILE A 64 3.564 13.444 -1.163 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.702 11.949 0.709 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.732 11.769 -1.034 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.477 13.085 1.106 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.126 14.801 0.789 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.021 13.838 1.799 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.985 9.965 0.055 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.073 10.976 -0.925 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.042 11.158 0.845 1.00 0.00 H new ATOM 994 N GLU A 65 1.729 14.834 -2.941 1.00 0.00 N ATOM 995 CA GLU A 65 1.364 14.615 -4.326 1.00 0.00 C ATOM 996 C GLU A 65 2.239 13.509 -4.896 1.00 0.00 C ATOM 997 O GLU A 65 3.388 13.744 -5.273 1.00 0.00 O ATOM 998 CB GLU A 65 1.545 15.905 -5.129 1.00 0.00 C ATOM 999 CG GLU A 65 0.776 17.083 -4.555 1.00 0.00 C ATOM 1000 CD GLU A 65 1.105 18.390 -5.246 1.00 0.00 C ATOM 1001 OE1 GLU A 65 2.106 19.032 -4.865 1.00 0.00 O ATOM 1002 OE2 GLU A 65 0.359 18.787 -6.166 1.00 0.00 O ATOM 0 H GLU A 65 2.451 15.542 -2.808 1.00 0.00 H new ATOM 0 HA GLU A 65 0.317 14.319 -4.388 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.605 16.156 -5.167 1.00 0.00 H new ATOM 0 HB3 GLU A 65 1.221 15.734 -6.156 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.293 16.890 -4.642 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.998 17.173 -3.492 1.00 0.00 H new ATOM 1009 N ALA A 66 1.708 12.300 -4.917 1.00 0.00 N ATOM 1010 CA ALA A 66 2.482 11.140 -5.322 1.00 0.00 C ATOM 1011 C ALA A 66 2.539 10.997 -6.835 1.00 0.00 C ATOM 1012 O ALA A 66 1.629 11.418 -7.553 1.00 0.00 O ATOM 1013 CB ALA A 66 1.908 9.880 -4.697 1.00 0.00 C ATOM 0 H ALA A 66 0.743 12.095 -4.658 1.00 0.00 H new ATOM 0 HA ALA A 66 3.502 11.286 -4.966 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.498 9.018 -5.009 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.938 9.966 -3.611 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.876 9.750 -5.022 1.00 0.00 H new ATOM 1019 N THR A 67 3.626 10.419 -7.307 1.00 0.00 N ATOM 1020 CA THR A 67 3.785 10.089 -8.709 1.00 0.00 C ATOM 1021 C THR A 67 3.867 8.571 -8.862 1.00 0.00 C ATOM 1022 O THR A 67 4.819 7.948 -8.402 1.00 0.00 O ATOM 1023 CB THR A 67 5.055 10.749 -9.288 1.00 0.00 C ATOM 1024 OG1 THR A 67 5.044 12.155 -8.996 1.00 0.00 O ATOM 1025 CG2 THR A 67 5.136 10.542 -10.795 1.00 0.00 C ATOM 0 H THR A 67 4.426 10.164 -6.727 1.00 0.00 H new ATOM 0 HA THR A 67 2.925 10.468 -9.261 1.00 0.00 H new ATOM 0 HB THR A 67 5.926 10.283 -8.827 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.923 12.425 -8.657 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.039 11.016 -11.179 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.165 9.475 -11.015 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.262 10.987 -11.271 1.00 0.00 H new ATOM 1033 N VAL A 68 2.851 7.980 -9.478 1.00 0.00 N ATOM 1034 CA VAL A 68 2.771 6.527 -9.602 1.00 0.00 C ATOM 1035 C VAL A 68 3.298 6.071 -10.959 1.00 0.00 C ATOM 1036 O VAL A 68 2.877 6.591 -11.993 1.00 0.00 O ATOM 1037 CB VAL A 68 1.319 6.031 -9.432 1.00 0.00 C ATOM 1038 CG1 VAL A 68 1.258 4.512 -9.471 1.00 0.00 C ATOM 1039 CG2 VAL A 68 0.717 6.557 -8.135 1.00 0.00 C ATOM 0 H VAL A 68 2.070 8.483 -9.900 1.00 0.00 H new ATOM 0 HA VAL A 68 3.387 6.100 -8.810 1.00 0.00 H new ATOM 0 HB VAL A 68 0.731 6.418 -10.264 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.225 4.186 -9.349 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.640 4.157 -10.428 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.865 4.103 -8.664 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.306 6.195 -8.036 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.310 6.206 -7.290 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.717 7.647 -8.150 1.00 0.00 H new ATOM 1049 N GLY A 69 4.215 5.103 -10.961 1.00 0.00 N ATOM 1050 CA GLY A 69 4.772 4.638 -12.218 1.00 0.00 C ATOM 1051 C GLY A 69 5.730 3.466 -12.075 1.00 0.00 C ATOM 1052 O GLY A 69 6.906 3.598 -12.416 1.00 0.00 O ATOM 0 H GLY A 69 4.576 4.640 -10.127 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.956 4.348 -12.880 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.295 5.464 -12.700 1.00 0.00 H new ATOM 1056 N GLU A 70 5.210 2.312 -11.621 1.00 0.00 N ATOM 1057 CA GLU A 70 5.982 1.063 -11.464 1.00 0.00 C ATOM 1058 C GLU A 70 5.208 0.081 -10.574 1.00 0.00 C ATOM 1059 O GLU A 70 5.041 0.292 -9.368 1.00 0.00 O ATOM 1060 CB GLU A 70 7.412 1.273 -10.935 1.00 0.00 C ATOM 1061 CG GLU A 70 7.522 2.024 -9.624 1.00 0.00 C ATOM 1062 CD GLU A 70 8.963 2.187 -9.193 1.00 0.00 C ATOM 1063 OE1 GLU A 70 9.534 1.220 -8.637 1.00 0.00 O ATOM 1064 OE2 GLU A 70 9.534 3.275 -9.393 1.00 0.00 O ATOM 0 H GLU A 70 4.231 2.218 -11.349 1.00 0.00 H new ATOM 0 HA GLU A 70 6.102 0.644 -12.463 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.882 0.297 -10.814 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.984 1.811 -11.691 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.059 3.006 -9.727 1.00 0.00 H new ATOM 0 HG3 GLU A 70 6.969 1.490 -8.851 1.00 0.00 H new ATOM 1071 N TYR A 71 4.705 -0.973 -11.201 1.00 0.00 N ATOM 1072 CA TYR A 71 3.835 -1.951 -10.547 1.00 0.00 C ATOM 1073 C TYR A 71 4.648 -2.940 -9.712 1.00 0.00 C ATOM 1074 O TYR A 71 5.590 -3.553 -10.212 1.00 0.00 O ATOM 1075 CB TYR A 71 3.044 -2.700 -11.626 1.00 0.00 C ATOM 1076 CG TYR A 71 1.723 -3.291 -11.174 1.00 0.00 C ATOM 1077 CD1 TYR A 71 1.320 -3.254 -9.843 1.00 0.00 C ATOM 1078 CD2 TYR A 71 0.872 -3.879 -12.100 1.00 0.00 C ATOM 1079 CE1 TYR A 71 0.106 -3.786 -9.451 1.00 0.00 C ATOM 1080 CE2 TYR A 71 -0.340 -4.414 -11.717 1.00 0.00 C ATOM 1081 CZ TYR A 71 -0.719 -4.365 -10.392 1.00 0.00 C ATOM 1082 OH TYR A 71 -1.931 -4.891 -10.011 1.00 0.00 O ATOM 0 H TYR A 71 4.888 -1.178 -12.183 1.00 0.00 H new ATOM 0 HA TYR A 71 3.154 -1.430 -9.873 1.00 0.00 H new ATOM 0 HB2 TYR A 71 2.852 -2.016 -12.452 1.00 0.00 H new ATOM 0 HB3 TYR A 71 3.667 -3.504 -12.016 1.00 0.00 H new ATOM 0 HD1 TYR A 71 1.966 -2.803 -9.104 1.00 0.00 H new ATOM 0 HD2 TYR A 71 1.164 -3.918 -13.139 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -0.194 -3.748 -8.414 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -0.989 -4.869 -12.451 1.00 0.00 H new ATOM 0 HH TYR A 71 -2.387 -4.263 -9.412 1.00 0.00 H new ATOM 1092 N VAL A 72 4.284 -3.088 -8.438 1.00 0.00 N ATOM 1093 CA VAL A 72 4.973 -4.029 -7.561 1.00 0.00 C ATOM 1094 C VAL A 72 4.256 -5.376 -7.520 1.00 0.00 C ATOM 1095 O VAL A 72 4.751 -6.366 -8.062 1.00 0.00 O ATOM 1096 CB VAL A 72 5.077 -3.483 -6.122 1.00 0.00 C ATOM 1097 CG1 VAL A 72 5.732 -4.501 -5.198 1.00 0.00 C ATOM 1098 CG2 VAL A 72 5.839 -2.169 -6.104 1.00 0.00 C ATOM 0 H VAL A 72 3.523 -2.573 -7.995 1.00 0.00 H new ATOM 0 HA VAL A 72 5.974 -4.162 -7.972 1.00 0.00 H new ATOM 0 HB VAL A 72 4.067 -3.299 -5.755 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.793 -4.091 -4.190 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.137 -5.414 -5.183 1.00 0.00 H new ATOM 0 HG13 VAL A 72 6.735 -4.727 -5.559 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.902 -1.799 -5.081 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.844 -2.326 -6.496 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.318 -1.438 -6.723 1.00 0.00 H new ATOM 1108 N ALA A 73 3.080 -5.402 -6.897 1.00 0.00 N ATOM 1109 CA ALA A 73 2.304 -6.635 -6.775 1.00 0.00 C ATOM 1110 C ALA A 73 0.892 -6.341 -6.293 1.00 0.00 C ATOM 1111 O ALA A 73 0.511 -5.184 -6.134 1.00 0.00 O ATOM 1112 CB ALA A 73 2.987 -7.601 -5.816 1.00 0.00 C ATOM 0 H ALA A 73 2.644 -4.585 -6.469 1.00 0.00 H new ATOM 0 HA ALA A 73 2.246 -7.095 -7.762 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.396 -8.514 -5.737 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.981 -7.844 -6.191 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.073 -7.138 -4.833 1.00 0.00 H new ATOM 1118 N SER A 74 0.111 -7.390 -6.079 1.00 0.00 N ATOM 1119 CA SER A 74 -1.237 -7.250 -5.552 1.00 0.00 C ATOM 1120 C SER A 74 -1.606 -8.459 -4.697 1.00 0.00 C ATOM 1121 O SER A 74 -1.114 -9.564 -4.926 1.00 0.00 O ATOM 1122 CB SER A 74 -2.238 -7.087 -6.695 1.00 0.00 C ATOM 1123 OG SER A 74 -2.007 -5.880 -7.395 1.00 0.00 O ATOM 0 H SER A 74 0.391 -8.353 -6.264 1.00 0.00 H new ATOM 0 HA SER A 74 -1.271 -6.359 -4.925 1.00 0.00 H new ATOM 0 HB2 SER A 74 -2.156 -7.931 -7.380 1.00 0.00 H new ATOM 0 HB3 SER A 74 -3.254 -7.095 -6.299 1.00 0.00 H new ATOM 0 HG SER A 74 -2.864 -5.491 -7.669 1.00 0.00 H new ATOM 1129 N HIS A 75 -2.466 -8.245 -3.714 1.00 0.00 N ATOM 1130 CA HIS A 75 -2.899 -9.317 -2.832 1.00 0.00 C ATOM 1131 C HIS A 75 -4.387 -9.179 -2.538 1.00 0.00 C ATOM 1132 O HIS A 75 -4.915 -8.069 -2.473 1.00 0.00 O ATOM 1133 CB HIS A 75 -2.107 -9.310 -1.522 1.00 0.00 C ATOM 1134 CG HIS A 75 -2.395 -10.495 -0.647 1.00 0.00 C ATOM 1135 ND1 HIS A 75 -2.069 -11.787 -0.998 1.00 0.00 N ATOM 1136 CD2 HIS A 75 -2.994 -10.581 0.566 1.00 0.00 C ATOM 1137 CE1 HIS A 75 -2.452 -12.612 -0.044 1.00 0.00 C ATOM 1138 NE2 HIS A 75 -3.013 -11.906 0.917 1.00 0.00 N ATOM 0 H HIS A 75 -2.879 -7.336 -3.506 1.00 0.00 H new ATOM 0 HA HIS A 75 -2.715 -10.266 -3.336 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -1.041 -9.286 -1.750 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -2.336 -8.397 -0.972 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -3.384 -9.759 1.148 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -2.327 -13.685 -0.049 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -3.399 -12.284 1.782 1.00 0.00 H new ATOM 1147 N GLN A 76 -5.057 -10.305 -2.374 1.00 0.00 N ATOM 1148 CA GLN A 76 -6.467 -10.310 -2.032 1.00 0.00 C ATOM 1149 C GLN A 76 -6.692 -10.860 -0.635 1.00 0.00 C ATOM 1150 O GLN A 76 -6.014 -11.787 -0.197 1.00 0.00 O ATOM 1151 CB GLN A 76 -7.272 -11.102 -3.059 1.00 0.00 C ATOM 1152 CG GLN A 76 -7.550 -10.312 -4.323 1.00 0.00 C ATOM 1153 CD GLN A 76 -8.258 -11.118 -5.396 1.00 0.00 C ATOM 1154 OE1 GLN A 76 -9.046 -12.105 -4.989 1.00 0.00 O flip ATOM 1155 NE2 GLN A 76 -8.092 -10.854 -6.584 1.00 0.00 N flip ATOM 0 H GLN A 76 -4.644 -11.233 -2.473 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.816 -9.277 -2.046 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.729 -12.012 -3.316 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -8.218 -11.410 -2.613 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.158 -9.442 -4.072 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.608 -9.938 -4.723 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -7.477 -10.086 -6.855 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.569 -11.402 -7.300 1.00 0.00 H new ATOM 1164 N ARG A 77 -7.638 -10.258 0.059 1.00 0.00 N ATOM 1165 CA ARG A 77 -8.038 -10.698 1.386 1.00 0.00 C ATOM 1166 C ARG A 77 -9.529 -10.462 1.506 1.00 0.00 C ATOM 1167 O ARG A 77 -10.077 -9.687 0.735 1.00 0.00 O ATOM 1168 CB ARG A 77 -7.270 -9.934 2.481 1.00 0.00 C ATOM 1169 CG ARG A 77 -7.716 -8.487 2.687 1.00 0.00 C ATOM 1170 CD ARG A 77 -6.788 -7.748 3.645 1.00 0.00 C ATOM 1171 NE ARG A 77 -7.323 -6.449 4.073 1.00 0.00 N ATOM 1172 CZ ARG A 77 -6.569 -5.450 4.557 1.00 0.00 C ATOM 1173 NH1 ARG A 77 -5.254 -5.587 4.651 1.00 0.00 N ATOM 1174 NH2 ARG A 77 -7.133 -4.318 4.964 1.00 0.00 N ATOM 0 H ARG A 77 -8.154 -9.447 -0.281 1.00 0.00 H new ATOM 0 HA ARG A 77 -7.805 -11.754 1.521 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -7.380 -10.471 3.423 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.209 -9.940 2.232 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -7.736 -7.971 1.727 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -8.733 -8.471 3.079 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -6.611 -8.369 4.523 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -5.822 -7.596 3.162 1.00 0.00 H new ATOM 0 HE ARG A 77 -8.329 -6.297 3.998 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.809 -6.456 4.355 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -4.687 -4.824 5.020 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -8.145 -4.204 4.910 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -6.554 -3.563 5.331 1.00 0.00 H new ATOM 1188 N GLU A 78 -10.205 -11.115 2.427 1.00 0.00 N ATOM 1189 CA GLU A 78 -11.633 -10.897 2.540 1.00 0.00 C ATOM 1190 C GLU A 78 -11.944 -10.109 3.803 1.00 0.00 C ATOM 1191 O GLU A 78 -11.296 -10.288 4.836 1.00 0.00 O ATOM 1192 CB GLU A 78 -12.418 -12.219 2.496 1.00 0.00 C ATOM 1193 CG GLU A 78 -12.613 -12.895 3.842 1.00 0.00 C ATOM 1194 CD GLU A 78 -13.368 -14.199 3.725 1.00 0.00 C ATOM 1195 OE1 GLU A 78 -12.722 -15.245 3.504 1.00 0.00 O ATOM 1196 OE2 GLU A 78 -14.611 -14.187 3.861 1.00 0.00 O ATOM 0 H GLU A 78 -9.806 -11.781 3.089 1.00 0.00 H new ATOM 0 HA GLU A 78 -11.955 -10.312 1.679 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -13.397 -12.028 2.057 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -11.900 -12.910 1.831 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -11.640 -13.081 4.297 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -13.154 -12.223 4.509 1.00 0.00 H new ATOM 1203 N VAL A 79 -12.909 -9.212 3.702 1.00 0.00 N ATOM 1204 CA VAL A 79 -13.379 -8.478 4.853 1.00 0.00 C ATOM 1205 C VAL A 79 -14.804 -8.911 5.164 1.00 0.00 C ATOM 1206 O VAL A 79 -15.763 -8.404 4.582 1.00 0.00 O ATOM 1207 CB VAL A 79 -13.297 -6.942 4.649 1.00 0.00 C ATOM 1208 CG1 VAL A 79 -13.841 -6.531 3.287 1.00 0.00 C ATOM 1209 CG2 VAL A 79 -14.016 -6.195 5.767 1.00 0.00 C ATOM 0 H VAL A 79 -13.381 -8.977 2.829 1.00 0.00 H new ATOM 0 HA VAL A 79 -12.729 -8.707 5.697 1.00 0.00 H new ATOM 0 HB VAL A 79 -12.243 -6.667 4.684 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -13.768 -5.449 3.178 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -13.260 -7.015 2.502 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -14.885 -6.835 3.205 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -13.940 -5.121 5.595 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -15.066 -6.487 5.783 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -13.556 -6.442 6.724 1.00 0.00 H new ATOM 1219 N SER A 80 -14.904 -9.894 6.056 1.00 0.00 N ATOM 1220 CA SER A 80 -16.176 -10.450 6.507 1.00 0.00 C ATOM 1221 C SER A 80 -17.219 -10.521 5.383 1.00 0.00 C ATOM 1222 O SER A 80 -18.227 -9.807 5.404 1.00 0.00 O ATOM 1223 CB SER A 80 -16.704 -9.640 7.692 1.00 0.00 C ATOM 1224 OG SER A 80 -15.763 -9.625 8.756 1.00 0.00 O ATOM 0 H SER A 80 -14.092 -10.332 6.491 1.00 0.00 H new ATOM 0 HA SER A 80 -15.994 -11.477 6.824 1.00 0.00 H new ATOM 0 HB2 SER A 80 -16.916 -8.619 7.374 1.00 0.00 H new ATOM 0 HB3 SER A 80 -17.645 -10.067 8.039 1.00 0.00 H new ATOM 0 HG SER A 80 -16.121 -9.100 9.502 1.00 0.00 H new ATOM 1230 N GLY A 81 -16.963 -11.371 4.390 1.00 0.00 N ATOM 1231 CA GLY A 81 -17.919 -11.565 3.316 1.00 0.00 C ATOM 1232 C GLY A 81 -17.541 -10.894 2.003 1.00 0.00 C ATOM 1233 O GLY A 81 -18.027 -11.297 0.946 1.00 0.00 O ATOM 0 H GLY A 81 -16.111 -11.927 4.312 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -18.038 -12.634 3.142 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -18.889 -11.185 3.637 1.00 0.00 H new ATOM 1237 N ARG A 82 -16.695 -9.874 2.050 1.00 0.00 N ATOM 1238 CA ARG A 82 -16.298 -9.169 0.830 1.00 0.00 C ATOM 1239 C ARG A 82 -14.842 -9.448 0.505 1.00 0.00 C ATOM 1240 O ARG A 82 -14.050 -9.704 1.397 1.00 0.00 O ATOM 1241 CB ARG A 82 -16.499 -7.663 0.984 1.00 0.00 C ATOM 1242 CG ARG A 82 -17.880 -7.284 1.468 1.00 0.00 C ATOM 1243 CD ARG A 82 -18.030 -5.779 1.586 1.00 0.00 C ATOM 1244 NE ARG A 82 -19.015 -5.414 2.598 1.00 0.00 N ATOM 1245 CZ ARG A 82 -19.550 -4.202 2.721 1.00 0.00 C ATOM 1246 NH1 ARG A 82 -19.262 -3.248 1.839 1.00 0.00 N ATOM 1247 NH2 ARG A 82 -20.378 -3.947 3.724 1.00 0.00 N ATOM 0 H ARG A 82 -16.272 -9.516 2.907 1.00 0.00 H new ATOM 0 HA ARG A 82 -16.927 -9.531 0.017 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -15.759 -7.276 1.684 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -16.314 -7.180 0.025 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -18.629 -7.673 0.778 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -18.068 -7.747 2.437 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -17.067 -5.336 1.839 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -18.328 -5.366 0.622 1.00 0.00 H new ATOM 0 HE ARG A 82 -19.313 -6.135 3.255 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -18.628 -3.444 1.064 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -19.675 -2.321 1.938 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -20.603 -4.679 4.398 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -20.790 -3.019 3.822 1.00 0.00 H new ATOM 1261 N ILE A 83 -14.485 -9.386 -0.767 1.00 0.00 N ATOM 1262 CA ILE A 83 -13.107 -9.634 -1.178 1.00 0.00 C ATOM 1263 C ILE A 83 -12.397 -8.317 -1.475 1.00 0.00 C ATOM 1264 O ILE A 83 -12.753 -7.615 -2.415 1.00 0.00 O ATOM 1265 CB ILE A 83 -13.021 -10.557 -2.425 1.00 0.00 C ATOM 1266 CG1 ILE A 83 -13.476 -11.989 -2.099 1.00 0.00 C ATOM 1267 CG2 ILE A 83 -11.602 -10.575 -2.983 1.00 0.00 C ATOM 1268 CD1 ILE A 83 -14.966 -12.141 -1.865 1.00 0.00 C ATOM 0 H ILE A 83 -15.124 -9.168 -1.532 1.00 0.00 H new ATOM 0 HA ILE A 83 -12.616 -10.143 -0.349 1.00 0.00 H new ATOM 0 HB ILE A 83 -13.695 -10.151 -3.179 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -13.182 -12.645 -2.918 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -12.945 -12.331 -1.210 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -11.562 -11.227 -3.856 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -11.312 -9.565 -3.271 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -10.916 -10.946 -2.221 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -15.195 -13.183 -1.642 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -15.268 -11.515 -1.025 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -15.508 -11.834 -2.759 1.00 0.00 H new ATOM 1280 N ILE A 84 -11.410 -7.973 -0.664 1.00 0.00 N ATOM 1281 CA ILE A 84 -10.634 -6.766 -0.896 1.00 0.00 C ATOM 1282 C ILE A 84 -9.490 -7.053 -1.860 1.00 0.00 C ATOM 1283 O ILE A 84 -8.776 -8.049 -1.724 1.00 0.00 O ATOM 1284 CB ILE A 84 -10.051 -6.155 0.397 1.00 0.00 C ATOM 1285 CG1 ILE A 84 -10.646 -6.789 1.652 1.00 0.00 C ATOM 1286 CG2 ILE A 84 -10.312 -4.668 0.439 1.00 0.00 C ATOM 1287 CD1 ILE A 84 -10.504 -5.905 2.874 1.00 0.00 C ATOM 0 H ILE A 84 -11.128 -8.509 0.157 1.00 0.00 H new ATOM 0 HA ILE A 84 -11.327 -6.040 -1.320 1.00 0.00 H new ATOM 0 HB ILE A 84 -8.979 -6.353 0.383 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -11.702 -7.001 1.482 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -10.155 -7.744 1.840 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -9.895 -4.251 1.356 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -9.843 -4.192 -0.422 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -11.386 -4.486 0.413 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -10.944 -6.404 3.737 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -9.448 -5.714 3.064 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -11.018 -4.960 2.701 1.00 0.00 H new ATOM 1299 N HIS A 85 -9.325 -6.171 -2.828 1.00 0.00 N ATOM 1300 CA HIS A 85 -8.321 -6.332 -3.861 1.00 0.00 C ATOM 1301 C HIS A 85 -7.255 -5.252 -3.707 1.00 0.00 C ATOM 1302 O HIS A 85 -7.444 -4.123 -4.157 1.00 0.00 O ATOM 1303 CB HIS A 85 -8.985 -6.222 -5.238 1.00 0.00 C ATOM 1304 CG HIS A 85 -8.201 -6.838 -6.356 1.00 0.00 C ATOM 1305 ND1 HIS A 85 -8.582 -6.737 -7.673 1.00 0.00 N ATOM 1306 CD2 HIS A 85 -7.073 -7.587 -6.351 1.00 0.00 C ATOM 1307 CE1 HIS A 85 -7.730 -7.400 -8.430 1.00 0.00 C ATOM 1308 NE2 HIS A 85 -6.801 -7.927 -7.656 1.00 0.00 N ATOM 0 H HIS A 85 -9.884 -5.323 -2.920 1.00 0.00 H new ATOM 0 HA HIS A 85 -7.852 -7.311 -3.768 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -9.965 -6.697 -5.194 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -9.151 -5.169 -5.464 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -6.494 -7.866 -5.483 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -7.784 -7.496 -9.504 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -6.013 -8.492 -7.972 1.00 0.00 H new ATOM 1317 N LEU A 86 -6.149 -5.596 -3.066 1.00 0.00 N ATOM 1318 CA LEU A 86 -5.094 -4.626 -2.794 1.00 0.00 C ATOM 1319 C LEU A 86 -4.071 -4.595 -3.918 1.00 0.00 C ATOM 1320 O LEU A 86 -3.497 -5.622 -4.273 1.00 0.00 O ATOM 1321 CB LEU A 86 -4.388 -4.941 -1.468 1.00 0.00 C ATOM 1322 CG LEU A 86 -5.133 -4.507 -0.202 1.00 0.00 C ATOM 1323 CD1 LEU A 86 -6.291 -5.444 0.102 1.00 0.00 C ATOM 1324 CD2 LEU A 86 -4.177 -4.438 0.977 1.00 0.00 C ATOM 0 H LEU A 86 -5.957 -6.537 -2.724 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.566 -3.646 -2.723 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.215 -6.016 -1.416 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.410 -4.461 -1.475 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.545 -3.513 -0.376 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.801 -5.111 1.006 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -6.992 -5.439 -0.733 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.912 -6.455 0.251 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.721 -4.128 1.869 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.735 -5.420 1.145 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.388 -3.716 0.764 1.00 0.00 H new ATOM 1336 N HIS A 87 -3.863 -3.412 -4.480 1.00 0.00 N ATOM 1337 CA HIS A 87 -2.848 -3.209 -5.508 1.00 0.00 C ATOM 1338 C HIS A 87 -1.696 -2.392 -4.944 1.00 0.00 C ATOM 1339 O HIS A 87 -1.886 -1.242 -4.558 1.00 0.00 O ATOM 1340 CB HIS A 87 -3.431 -2.479 -6.723 1.00 0.00 C ATOM 1341 CG HIS A 87 -4.422 -3.270 -7.519 1.00 0.00 C ATOM 1342 ND1 HIS A 87 -4.058 -4.123 -8.534 1.00 0.00 N ATOM 1343 CD2 HIS A 87 -5.776 -3.307 -7.470 1.00 0.00 C ATOM 1344 CE1 HIS A 87 -5.137 -4.646 -9.077 1.00 0.00 C ATOM 1345 NE2 HIS A 87 -6.198 -4.170 -8.452 1.00 0.00 N ATOM 0 H HIS A 87 -4.388 -2.571 -4.239 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.491 -4.189 -5.825 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -3.911 -1.562 -6.381 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -2.612 -2.185 -7.379 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -6.407 -2.759 -6.785 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -5.152 -5.348 -9.898 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -7.168 -4.404 -8.663 1.00 0.00 H new ATOM 1354 N ALA A 88 -0.510 -2.982 -4.891 1.00 0.00 N ATOM 1355 CA ALA A 88 0.660 -2.296 -4.354 1.00 0.00 C ATOM 1356 C ALA A 88 1.495 -1.678 -5.467 1.00 0.00 C ATOM 1357 O ALA A 88 2.040 -2.382 -6.324 1.00 0.00 O ATOM 1358 CB ALA A 88 1.511 -3.249 -3.521 1.00 0.00 C ATOM 0 H ALA A 88 -0.331 -3.933 -5.213 1.00 0.00 H new ATOM 0 HA ALA A 88 0.305 -1.492 -3.709 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.378 -2.716 -3.131 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.919 -3.635 -2.691 1.00 0.00 H new ATOM 0 HB3 ALA A 88 1.845 -4.078 -4.145 1.00 0.00 H new ATOM 1364 N TRP A 89 1.581 -0.360 -5.450 1.00 0.00 N ATOM 1365 CA TRP A 89 2.412 0.371 -6.391 1.00 0.00 C ATOM 1366 C TRP A 89 3.513 1.115 -5.653 1.00 0.00 C ATOM 1367 O TRP A 89 3.325 1.559 -4.522 1.00 0.00 O ATOM 1368 CB TRP A 89 1.577 1.372 -7.196 1.00 0.00 C ATOM 1369 CG TRP A 89 1.153 0.873 -8.543 1.00 0.00 C ATOM 1370 CD1 TRP A 89 1.931 0.784 -9.662 1.00 0.00 C ATOM 1371 CD2 TRP A 89 -0.151 0.425 -8.927 1.00 0.00 C ATOM 1372 NE1 TRP A 89 1.196 0.293 -10.711 1.00 0.00 N ATOM 1373 CE2 TRP A 89 -0.085 0.067 -10.287 1.00 0.00 C ATOM 1374 CE3 TRP A 89 -1.366 0.286 -8.254 1.00 0.00 C ATOM 1375 CZ2 TRP A 89 -1.186 -0.417 -10.983 1.00 0.00 C ATOM 1376 CZ3 TRP A 89 -2.457 -0.194 -8.949 1.00 0.00 C ATOM 1377 CH2 TRP A 89 -2.360 -0.541 -10.300 1.00 0.00 C ATOM 0 H TRP A 89 1.080 0.232 -4.787 1.00 0.00 H new ATOM 0 HA TRP A 89 2.855 -0.351 -7.077 1.00 0.00 H new ATOM 0 HB2 TRP A 89 0.688 1.632 -6.621 1.00 0.00 H new ATOM 0 HB3 TRP A 89 2.153 2.288 -7.325 1.00 0.00 H new ATOM 0 HD1 TRP A 89 2.974 1.060 -9.714 1.00 0.00 H new ATOM 0 HE1 TRP A 89 1.547 0.124 -11.654 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -1.450 0.549 -7.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -1.115 -0.685 -12.027 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -3.403 -0.304 -8.440 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -3.233 -0.915 -10.814 1.00 0.00 H new ATOM 1388 N HIS A 90 4.659 1.251 -6.294 1.00 0.00 N ATOM 1389 CA HIS A 90 5.734 2.055 -5.741 1.00 0.00 C ATOM 1390 C HIS A 90 5.674 3.437 -6.359 1.00 0.00 C ATOM 1391 O HIS A 90 5.598 3.572 -7.577 1.00 0.00 O ATOM 1392 CB HIS A 90 7.112 1.412 -5.986 1.00 0.00 C ATOM 1393 CG HIS A 90 8.282 2.274 -5.573 1.00 0.00 C ATOM 1394 ND1 HIS A 90 9.445 2.351 -6.302 1.00 0.00 N ATOM 1395 CD2 HIS A 90 8.459 3.101 -4.511 1.00 0.00 C ATOM 1396 CE1 HIS A 90 10.285 3.181 -5.715 1.00 0.00 C ATOM 1397 NE2 HIS A 90 9.714 3.650 -4.629 1.00 0.00 N ATOM 0 H HIS A 90 4.869 0.818 -7.193 1.00 0.00 H new ATOM 0 HA HIS A 90 5.603 2.122 -4.661 1.00 0.00 H new ATOM 0 HB2 HIS A 90 7.161 0.468 -5.443 1.00 0.00 H new ATOM 0 HB3 HIS A 90 7.206 1.175 -7.046 1.00 0.00 H new ATOM 0 HD1 HIS A 90 9.630 1.843 -7.167 1.00 0.00 H new ATOM 0 HD2 HIS A 90 7.747 3.292 -3.721 1.00 0.00 H new ATOM 0 HE1 HIS A 90 11.274 3.432 -6.067 1.00 0.00 H new ATOM 0 HE2 HIS A 90 10.134 4.314 -3.978 1.00 0.00 H new ATOM 1406 N VAL A 91 5.655 4.455 -5.519 1.00 0.00 N ATOM 1407 CA VAL A 91 5.726 5.818 -5.997 1.00 0.00 C ATOM 1408 C VAL A 91 7.184 6.269 -6.051 1.00 0.00 C ATOM 1409 O VAL A 91 7.820 6.494 -5.021 1.00 0.00 O ATOM 1410 CB VAL A 91 4.881 6.784 -5.130 1.00 0.00 C ATOM 1411 CG1 VAL A 91 3.398 6.537 -5.358 1.00 0.00 C ATOM 1412 CG2 VAL A 91 5.215 6.632 -3.652 1.00 0.00 C ATOM 0 H VAL A 91 5.591 4.362 -4.505 1.00 0.00 H new ATOM 0 HA VAL A 91 5.303 5.846 -7.001 1.00 0.00 H new ATOM 0 HB VAL A 91 5.123 7.804 -5.430 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.816 7.223 -4.742 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.159 6.701 -6.409 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.154 5.510 -5.086 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.606 7.323 -3.069 1.00 0.00 H new ATOM 0 HG22 VAL A 91 5.008 5.610 -3.335 1.00 0.00 H new ATOM 0 HG23 VAL A 91 6.270 6.855 -3.493 1.00 0.00 H new ATOM 1422 N PRO A 92 7.752 6.345 -7.264 1.00 0.00 N ATOM 1423 CA PRO A 92 9.138 6.775 -7.465 1.00 0.00 C ATOM 1424 C PRO A 92 9.363 8.214 -7.013 1.00 0.00 C ATOM 1425 O PRO A 92 10.485 8.613 -6.700 1.00 0.00 O ATOM 1426 CB PRO A 92 9.341 6.649 -8.980 1.00 0.00 C ATOM 1427 CG PRO A 92 7.969 6.652 -9.562 1.00 0.00 C ATOM 1428 CD PRO A 92 7.093 6.001 -8.537 1.00 0.00 C ATOM 0 HA PRO A 92 9.839 6.178 -6.882 1.00 0.00 H new ATOM 0 HB2 PRO A 92 9.934 7.477 -9.368 1.00 0.00 H new ATOM 0 HB3 PRO A 92 9.873 5.731 -9.231 1.00 0.00 H new ATOM 0 HG2 PRO A 92 7.636 7.668 -9.774 1.00 0.00 H new ATOM 0 HG3 PRO A 92 7.942 6.105 -10.504 1.00 0.00 H new ATOM 0 HD2 PRO A 92 6.073 6.382 -8.578 1.00 0.00 H new ATOM 0 HD3 PRO A 92 7.036 4.922 -8.682 1.00 0.00 H new ATOM 1436 N ASP A 93 8.284 8.981 -6.958 1.00 0.00 N ATOM 1437 CA ASP A 93 8.361 10.384 -6.591 1.00 0.00 C ATOM 1438 C ASP A 93 7.131 10.806 -5.800 1.00 0.00 C ATOM 1439 O ASP A 93 6.025 10.321 -6.040 1.00 0.00 O ATOM 1440 CB ASP A 93 8.493 11.244 -7.845 1.00 0.00 C ATOM 1441 CG ASP A 93 8.351 12.725 -7.564 1.00 0.00 C ATOM 1442 OD1 ASP A 93 9.229 13.297 -6.888 1.00 0.00 O ATOM 1443 OD2 ASP A 93 7.346 13.319 -8.016 1.00 0.00 O ATOM 0 H ASP A 93 7.341 8.651 -7.164 1.00 0.00 H new ATOM 0 HA ASP A 93 9.240 10.526 -5.962 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.463 11.059 -8.306 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.734 10.942 -8.567 1.00 0.00 H new ATOM 1448 N PHE A 94 7.346 11.688 -4.844 1.00 0.00 N ATOM 1449 CA PHE A 94 6.268 12.261 -4.051 1.00 0.00 C ATOM 1450 C PHE A 94 6.605 13.705 -3.691 1.00 0.00 C ATOM 1451 O PHE A 94 7.728 14.010 -3.280 1.00 0.00 O ATOM 1452 CB PHE A 94 6.011 11.425 -2.784 1.00 0.00 C ATOM 1453 CG PHE A 94 7.214 11.256 -1.894 1.00 0.00 C ATOM 1454 CD1 PHE A 94 8.175 10.296 -2.174 1.00 0.00 C ATOM 1455 CD2 PHE A 94 7.378 12.052 -0.770 1.00 0.00 C ATOM 1456 CE1 PHE A 94 9.275 10.134 -1.353 1.00 0.00 C ATOM 1457 CE2 PHE A 94 8.478 11.897 0.052 1.00 0.00 C ATOM 1458 CZ PHE A 94 9.427 10.938 -0.240 1.00 0.00 C ATOM 0 H PHE A 94 8.273 12.030 -4.592 1.00 0.00 H new ATOM 0 HA PHE A 94 5.353 12.250 -4.643 1.00 0.00 H new ATOM 0 HB2 PHE A 94 5.213 11.895 -2.210 1.00 0.00 H new ATOM 0 HB3 PHE A 94 5.653 10.439 -3.081 1.00 0.00 H new ATOM 0 HD1 PHE A 94 8.062 9.667 -3.045 1.00 0.00 H new ATOM 0 HD2 PHE A 94 6.637 12.802 -0.534 1.00 0.00 H new ATOM 0 HE1 PHE A 94 10.014 9.380 -1.581 1.00 0.00 H new ATOM 0 HE2 PHE A 94 8.595 12.526 0.922 1.00 0.00 H new ATOM 0 HZ PHE A 94 10.288 10.816 0.401 1.00 0.00 H new ATOM 1468 N HIS A 95 5.649 14.600 -3.879 1.00 0.00 N ATOM 1469 CA HIS A 95 5.881 16.016 -3.638 1.00 0.00 C ATOM 1470 C HIS A 95 5.065 16.502 -2.441 1.00 0.00 C ATOM 1471 O HIS A 95 3.838 16.441 -2.455 1.00 0.00 O ATOM 1472 CB HIS A 95 5.515 16.801 -4.899 1.00 0.00 C ATOM 1473 CG HIS A 95 5.993 18.219 -4.908 1.00 0.00 C ATOM 1474 ND1 HIS A 95 7.246 18.585 -5.350 1.00 0.00 N ATOM 1475 CD2 HIS A 95 5.372 19.367 -4.554 1.00 0.00 C ATOM 1476 CE1 HIS A 95 7.372 19.896 -5.268 1.00 0.00 C ATOM 1477 NE2 HIS A 95 6.248 20.398 -4.789 1.00 0.00 N ATOM 0 H HIS A 95 4.707 14.373 -4.197 1.00 0.00 H new ATOM 0 HA HIS A 95 6.934 16.176 -3.405 1.00 0.00 H new ATOM 0 HB2 HIS A 95 5.929 16.286 -5.766 1.00 0.00 H new ATOM 0 HB3 HIS A 95 4.431 16.796 -5.013 1.00 0.00 H new ATOM 0 HD2 HIS A 95 4.371 19.456 -4.159 1.00 0.00 H new ATOM 0 HE1 HIS A 95 8.248 20.464 -5.546 1.00 0.00 H new ATOM 0 HE2 HIS A 95 6.062 21.387 -4.622 1.00 0.00 H new ATOM 1486 N GLY A 96 5.747 16.988 -1.413 1.00 0.00 N ATOM 1487 CA GLY A 96 5.064 17.480 -0.229 1.00 0.00 C ATOM 1488 C GLY A 96 5.662 16.925 1.049 1.00 0.00 C ATOM 1489 O GLY A 96 6.768 16.384 1.034 1.00 0.00 O ATOM 0 H GLY A 96 6.764 17.051 -1.376 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.114 18.569 -0.209 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.009 17.210 -0.282 1.00 0.00 H new ATOM 1493 N THR A 97 4.942 17.060 2.152 1.00 0.00 N ATOM 1494 CA THR A 97 5.404 16.563 3.434 1.00 0.00 C ATOM 1495 C THR A 97 4.474 15.465 3.924 1.00 0.00 C ATOM 1496 O THR A 97 3.306 15.717 4.219 1.00 0.00 O ATOM 1497 CB THR A 97 5.459 17.698 4.474 1.00 0.00 C ATOM 1498 OG1 THR A 97 6.215 18.797 3.945 1.00 0.00 O ATOM 1499 CG2 THR A 97 6.094 17.221 5.773 1.00 0.00 C ATOM 0 H THR A 97 4.029 17.514 2.182 1.00 0.00 H new ATOM 0 HA THR A 97 6.409 16.162 3.306 1.00 0.00 H new ATOM 0 HB THR A 97 4.439 18.017 4.688 1.00 0.00 H new ATOM 0 HG1 THR A 97 6.248 19.520 4.606 1.00 0.00 H new ATOM 0 HG21 THR A 97 6.120 18.043 6.489 1.00 0.00 H new ATOM 0 HG22 THR A 97 5.507 16.400 6.185 1.00 0.00 H new ATOM 0 HG23 THR A 97 7.110 16.879 5.577 1.00 0.00 H new ATOM 1507 N LEU A 98 4.993 14.250 3.999 1.00 0.00 N ATOM 1508 CA LEU A 98 4.182 13.107 4.371 1.00 0.00 C ATOM 1509 C LEU A 98 3.767 13.183 5.831 1.00 0.00 C ATOM 1510 O LEU A 98 4.599 13.259 6.737 1.00 0.00 O ATOM 1511 CB LEU A 98 4.906 11.799 4.049 1.00 0.00 C ATOM 1512 CG LEU A 98 6.417 11.801 4.285 1.00 0.00 C ATOM 1513 CD1 LEU A 98 6.761 11.213 5.644 1.00 0.00 C ATOM 1514 CD2 LEU A 98 7.113 11.042 3.173 1.00 0.00 C ATOM 0 H LEU A 98 5.971 14.032 3.807 1.00 0.00 H new ATOM 0 HA LEU A 98 3.268 13.127 3.777 1.00 0.00 H new ATOM 0 HB2 LEU A 98 4.464 11.004 4.649 1.00 0.00 H new ATOM 0 HB3 LEU A 98 4.720 11.550 3.004 1.00 0.00 H new ATOM 0 HG LEU A 98 6.768 12.833 4.278 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.842 11.228 5.784 1.00 0.00 H new ATOM 0 HD12 LEU A 98 6.286 11.804 6.427 1.00 0.00 H new ATOM 0 HD13 LEU A 98 6.402 10.185 5.697 1.00 0.00 H new ATOM 0 HD21 LEU A 98 8.189 11.047 3.347 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.753 10.013 3.154 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.898 11.519 2.217 1.00 0.00 H new ATOM 1526 N GLN A 99 2.465 13.189 6.041 1.00 0.00 N ATOM 1527 CA GLN A 99 1.893 13.318 7.364 1.00 0.00 C ATOM 1528 C GLN A 99 0.805 12.263 7.548 1.00 0.00 C ATOM 1529 O GLN A 99 0.409 11.617 6.588 1.00 0.00 O ATOM 1530 CB GLN A 99 1.321 14.731 7.540 1.00 0.00 C ATOM 1531 CG GLN A 99 0.077 15.004 6.706 1.00 0.00 C ATOM 1532 CD GLN A 99 -0.505 16.381 6.963 1.00 0.00 C ATOM 1533 OE1 GLN A 99 -1.344 16.558 7.845 1.00 0.00 O ATOM 1534 NE2 GLN A 99 -0.070 17.367 6.199 1.00 0.00 N ATOM 0 H GLN A 99 1.774 13.104 5.296 1.00 0.00 H new ATOM 0 HA GLN A 99 2.662 13.161 8.121 1.00 0.00 H new ATOM 0 HB2 GLN A 99 1.082 14.887 8.592 1.00 0.00 H new ATOM 0 HB3 GLN A 99 2.089 15.458 7.277 1.00 0.00 H new ATOM 0 HG2 GLN A 99 0.325 14.909 5.649 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -0.677 14.248 6.926 1.00 0.00 H new ATOM 0 HE21 GLN A 99 0.627 17.183 5.477 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -0.431 18.312 6.331 1.00 0.00 H new ATOM 1543 N ALA A 100 0.346 12.068 8.770 1.00 0.00 N ATOM 1544 CA ALA A 100 -0.708 11.091 9.021 1.00 0.00 C ATOM 1545 C ALA A 100 -2.059 11.766 9.206 1.00 0.00 C ATOM 1546 O ALA A 100 -2.166 12.798 9.870 1.00 0.00 O ATOM 1547 CB ALA A 100 -0.374 10.233 10.231 1.00 0.00 C ATOM 0 H ALA A 100 0.678 12.564 9.597 1.00 0.00 H new ATOM 0 HA ALA A 100 -0.772 10.446 8.145 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -1.174 9.512 10.398 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.561 9.702 10.053 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -0.269 10.869 11.110 1.00 0.00 H new ATOM 1553 N HIS A 101 -3.090 11.188 8.606 1.00 0.00 N ATOM 1554 CA HIS A 101 -4.448 11.691 8.750 1.00 0.00 C ATOM 1555 C HIS A 101 -5.340 10.562 9.245 1.00 0.00 C ATOM 1556 O HIS A 101 -5.977 10.665 10.293 1.00 0.00 O ATOM 1557 CB HIS A 101 -4.958 12.213 7.401 1.00 0.00 C ATOM 1558 CG HIS A 101 -6.344 12.787 7.431 1.00 0.00 C ATOM 1559 ND1 HIS A 101 -6.602 14.138 7.348 1.00 0.00 N ATOM 1560 CD2 HIS A 101 -7.554 12.180 7.497 1.00 0.00 C ATOM 1561 CE1 HIS A 101 -7.906 14.337 7.366 1.00 0.00 C ATOM 1562 NE2 HIS A 101 -8.508 13.164 7.453 1.00 0.00 N ATOM 0 H HIS A 101 -3.010 10.364 8.010 1.00 0.00 H new ATOM 0 HA HIS A 101 -4.464 12.512 9.467 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -4.271 12.978 7.040 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -4.934 11.397 6.679 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -7.734 11.118 7.571 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -8.399 15.297 7.318 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -9.517 13.015 7.483 1.00 0.00 H new ATOM 1571 N GLU A 102 -5.375 9.486 8.471 1.00 0.00 N ATOM 1572 CA GLU A 102 -6.133 8.298 8.824 1.00 0.00 C ATOM 1573 C GLU A 102 -5.295 7.404 9.728 1.00 0.00 C ATOM 1574 O GLU A 102 -5.786 6.847 10.709 1.00 0.00 O ATOM 1575 CB GLU A 102 -6.542 7.546 7.552 1.00 0.00 C ATOM 1576 CG GLU A 102 -7.690 8.193 6.793 1.00 0.00 C ATOM 1577 CD GLU A 102 -9.009 8.084 7.525 1.00 0.00 C ATOM 1578 OE1 GLU A 102 -9.198 8.807 8.522 1.00 0.00 O ATOM 1579 OE2 GLU A 102 -9.864 7.267 7.113 1.00 0.00 O ATOM 0 H GLU A 102 -4.879 9.414 7.583 1.00 0.00 H new ATOM 0 HA GLU A 102 -7.036 8.589 9.361 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.678 7.474 6.891 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -6.825 6.528 7.819 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -7.460 9.245 6.622 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -7.783 7.724 5.814 1.00 0.00 H new ATOM 1586 N HIS A 103 -4.020 7.270 9.383 1.00 0.00 N ATOM 1587 CA HIS A 103 -3.079 6.520 10.207 1.00 0.00 C ATOM 1588 C HIS A 103 -2.492 7.431 11.289 1.00 0.00 C ATOM 1589 O HIS A 103 -2.852 8.605 11.372 1.00 0.00 O ATOM 1590 CB HIS A 103 -1.973 5.899 9.340 1.00 0.00 C ATOM 1591 CG HIS A 103 -2.474 4.857 8.375 1.00 0.00 C ATOM 1592 ND1 HIS A 103 -1.860 3.636 8.191 1.00 0.00 N ATOM 1593 CD2 HIS A 103 -3.535 4.863 7.530 1.00 0.00 C ATOM 1594 CE1 HIS A 103 -2.519 2.946 7.281 1.00 0.00 C ATOM 1595 NE2 HIS A 103 -3.541 3.663 6.865 1.00 0.00 N ATOM 0 H HIS A 103 -3.613 7.671 8.538 1.00 0.00 H new ATOM 0 HA HIS A 103 -3.609 5.703 10.697 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -1.475 6.691 8.780 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -1.223 5.449 9.991 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -1.025 3.316 8.683 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -4.246 5.666 7.404 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -2.262 1.956 6.934 1.00 0.00 H new ATOM 1604 N GLN A 104 -1.602 6.899 12.121 1.00 0.00 N ATOM 1605 CA GLN A 104 -1.106 7.644 13.275 1.00 0.00 C ATOM 1606 C GLN A 104 0.379 8.009 13.151 1.00 0.00 C ATOM 1607 O GLN A 104 0.722 9.180 12.989 1.00 0.00 O ATOM 1608 CB GLN A 104 -1.365 6.841 14.553 1.00 0.00 C ATOM 1609 CG GLN A 104 -0.878 7.513 15.822 1.00 0.00 C ATOM 1610 CD GLN A 104 -1.474 6.886 17.064 1.00 0.00 C ATOM 1611 OE1 GLN A 104 -2.518 7.324 17.547 1.00 0.00 O ATOM 1612 NE2 GLN A 104 -0.834 5.847 17.580 1.00 0.00 N ATOM 0 H GLN A 104 -1.211 5.962 12.020 1.00 0.00 H new ATOM 0 HA GLN A 104 -1.650 8.588 13.318 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -2.436 6.657 14.641 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -0.881 5.869 14.462 1.00 0.00 H new ATOM 0 HG2 GLN A 104 0.209 7.450 15.871 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -1.135 8.572 15.792 1.00 0.00 H new ATOM 0 HE21 GLN A 104 0.029 5.514 17.150 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -1.204 5.380 18.408 1.00 0.00 H new ATOM 1621 N ALA A 105 1.257 7.017 13.235 1.00 0.00 N ATOM 1622 CA ALA A 105 2.698 7.267 13.186 1.00 0.00 C ATOM 1623 C ALA A 105 3.280 6.787 11.864 1.00 0.00 C ATOM 1624 O ALA A 105 2.644 6.007 11.161 1.00 0.00 O ATOM 1625 CB ALA A 105 3.384 6.576 14.354 1.00 0.00 C ATOM 0 H ALA A 105 1.001 6.035 13.337 1.00 0.00 H new ATOM 0 HA ALA A 105 2.871 8.341 13.262 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.456 6.767 14.311 1.00 0.00 H new ATOM 0 HB2 ALA A 105 2.984 6.963 15.291 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.204 5.502 14.298 1.00 0.00 H new ATOM 1631 N LEU A 106 4.477 7.251 11.514 1.00 0.00 N ATOM 1632 CA LEU A 106 5.130 6.811 10.282 1.00 0.00 C ATOM 1633 C LEU A 106 6.613 6.556 10.511 1.00 0.00 C ATOM 1634 O LEU A 106 7.295 7.334 11.178 1.00 0.00 O ATOM 1635 CB LEU A 106 4.958 7.824 9.144 1.00 0.00 C ATOM 1636 CG LEU A 106 3.544 7.937 8.571 1.00 0.00 C ATOM 1637 CD1 LEU A 106 2.732 8.958 9.339 1.00 0.00 C ATOM 1638 CD2 LEU A 106 3.583 8.294 7.099 1.00 0.00 C ATOM 0 H LEU A 106 5.012 7.926 12.060 1.00 0.00 H new ATOM 0 HA LEU A 106 4.643 5.881 9.988 1.00 0.00 H new ATOM 0 HB2 LEU A 106 5.264 8.806 9.505 1.00 0.00 H new ATOM 0 HB3 LEU A 106 5.638 7.555 8.336 1.00 0.00 H new ATOM 0 HG LEU A 106 3.063 6.964 8.675 1.00 0.00 H new ATOM 0 HD11 LEU A 106 1.730 9.021 8.914 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.664 8.657 10.384 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.216 9.932 9.273 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.565 8.368 6.716 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.090 9.250 6.970 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.122 7.521 6.551 1.00 0.00 H new ATOM 1650 N VAL A 107 7.099 5.457 9.952 1.00 0.00 N ATOM 1651 CA VAL A 107 8.498 5.081 10.083 1.00 0.00 C ATOM 1652 C VAL A 107 9.081 4.688 8.729 1.00 0.00 C ATOM 1653 O VAL A 107 8.375 4.159 7.868 1.00 0.00 O ATOM 1654 CB VAL A 107 8.673 3.913 11.088 1.00 0.00 C ATOM 1655 CG1 VAL A 107 8.075 2.621 10.548 1.00 0.00 C ATOM 1656 CG2 VAL A 107 10.136 3.713 11.452 1.00 0.00 C ATOM 0 H VAL A 107 6.540 4.807 9.400 1.00 0.00 H new ATOM 0 HA VAL A 107 9.037 5.949 10.463 1.00 0.00 H new ATOM 0 HB VAL A 107 8.131 4.182 11.995 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.215 1.823 11.277 1.00 0.00 H new ATOM 0 HG12 VAL A 107 7.010 2.762 10.364 1.00 0.00 H new ATOM 0 HG13 VAL A 107 8.572 2.352 9.616 1.00 0.00 H new ATOM 0 HG21 VAL A 107 10.226 2.887 12.158 1.00 0.00 H new ATOM 0 HG22 VAL A 107 10.707 3.485 10.552 1.00 0.00 H new ATOM 0 HG23 VAL A 107 10.525 4.624 11.907 1.00 0.00 H new ATOM 1666 N TRP A 108 10.360 4.983 8.538 1.00 0.00 N ATOM 1667 CA TRP A 108 11.076 4.560 7.347 1.00 0.00 C ATOM 1668 C TRP A 108 11.981 3.382 7.675 1.00 0.00 C ATOM 1669 O TRP A 108 12.888 3.494 8.502 1.00 0.00 O ATOM 1670 CB TRP A 108 11.919 5.705 6.776 1.00 0.00 C ATOM 1671 CG TRP A 108 11.113 6.797 6.139 1.00 0.00 C ATOM 1672 CD1 TRP A 108 10.556 7.877 6.758 1.00 0.00 C ATOM 1673 CD2 TRP A 108 10.786 6.915 4.749 1.00 0.00 C ATOM 1674 NE1 TRP A 108 9.900 8.660 5.837 1.00 0.00 N ATOM 1675 CE2 TRP A 108 10.027 8.089 4.597 1.00 0.00 C ATOM 1676 CE3 TRP A 108 11.062 6.140 3.619 1.00 0.00 C ATOM 1677 CZ2 TRP A 108 9.543 8.506 3.359 1.00 0.00 C ATOM 1678 CZ3 TRP A 108 10.579 6.554 2.393 1.00 0.00 C ATOM 1679 CH2 TRP A 108 9.827 7.727 2.270 1.00 0.00 C ATOM 0 H TRP A 108 10.924 5.517 9.199 1.00 0.00 H new ATOM 0 HA TRP A 108 10.341 4.262 6.600 1.00 0.00 H new ATOM 0 HB2 TRP A 108 12.522 6.133 7.577 1.00 0.00 H new ATOM 0 HB3 TRP A 108 12.611 5.300 6.037 1.00 0.00 H new ATOM 0 HD1 TRP A 108 10.620 8.087 7.816 1.00 0.00 H new ATOM 0 HE1 TRP A 108 9.400 9.525 6.043 1.00 0.00 H new ATOM 0 HE3 TRP A 108 11.643 5.233 3.703 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 8.964 9.412 3.262 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 10.786 5.962 1.514 1.00 0.00 H new ATOM 0 HH2 TRP A 108 9.464 8.024 1.297 1.00 0.00 H new ATOM 1690 N CYS A 109 11.722 2.255 7.042 1.00 0.00 N ATOM 1691 CA CYS A 109 12.570 1.085 7.203 1.00 0.00 C ATOM 1692 C CYS A 109 12.740 0.377 5.866 1.00 0.00 C ATOM 1693 O CYS A 109 11.892 0.500 4.984 1.00 0.00 O ATOM 1694 CB CYS A 109 11.989 0.134 8.255 1.00 0.00 C ATOM 1695 SG CYS A 109 10.322 -0.452 7.887 1.00 0.00 S ATOM 0 H CYS A 109 10.932 2.122 6.411 1.00 0.00 H new ATOM 0 HA CYS A 109 13.551 1.409 7.552 1.00 0.00 H new ATOM 0 HB2 CYS A 109 12.650 -0.727 8.354 1.00 0.00 H new ATOM 0 HB3 CYS A 109 11.979 0.641 9.220 1.00 0.00 H new ATOM 0 HG CYS A 109 10.107 -0.373 6.607 1.00 0.00 H new ATOM 1701 N SER A 110 13.824 -0.362 5.723 1.00 0.00 N ATOM 1702 CA SER A 110 14.126 -1.052 4.475 1.00 0.00 C ATOM 1703 C SER A 110 13.174 -2.238 4.283 1.00 0.00 C ATOM 1704 O SER A 110 12.562 -2.696 5.248 1.00 0.00 O ATOM 1705 CB SER A 110 15.581 -1.521 4.496 1.00 0.00 C ATOM 1706 OG SER A 110 16.457 -0.434 4.744 1.00 0.00 O ATOM 0 H SER A 110 14.516 -0.503 6.459 1.00 0.00 H new ATOM 0 HA SER A 110 13.987 -0.369 3.637 1.00 0.00 H new ATOM 0 HB2 SER A 110 15.711 -2.282 5.266 1.00 0.00 H new ATOM 0 HB3 SER A 110 15.832 -1.986 3.542 1.00 0.00 H new ATOM 0 HG SER A 110 17.383 -0.756 4.755 1.00 0.00 H new ATOM 1712 N PRO A 111 13.022 -2.738 3.039 1.00 0.00 N ATOM 1713 CA PRO A 111 12.106 -3.839 2.715 1.00 0.00 C ATOM 1714 C PRO A 111 12.207 -5.024 3.679 1.00 0.00 C ATOM 1715 O PRO A 111 11.199 -5.476 4.221 1.00 0.00 O ATOM 1716 CB PRO A 111 12.523 -4.271 1.300 1.00 0.00 C ATOM 1717 CG PRO A 111 13.746 -3.480 0.966 1.00 0.00 C ATOM 1718 CD PRO A 111 13.717 -2.261 1.839 1.00 0.00 C ATOM 0 HA PRO A 111 11.070 -3.510 2.791 1.00 0.00 H new ATOM 0 HB2 PRO A 111 12.730 -5.341 1.265 1.00 0.00 H new ATOM 0 HB3 PRO A 111 11.726 -4.076 0.583 1.00 0.00 H new ATOM 0 HG2 PRO A 111 14.648 -4.065 1.147 1.00 0.00 H new ATOM 0 HG3 PRO A 111 13.752 -3.202 -0.088 1.00 0.00 H new ATOM 0 HD2 PRO A 111 14.721 -1.903 2.068 1.00 0.00 H new ATOM 0 HD3 PRO A 111 13.185 -1.436 1.365 1.00 0.00 H new ATOM 1726 N GLU A 112 13.418 -5.511 3.914 1.00 0.00 N ATOM 1727 CA GLU A 112 13.613 -6.673 4.775 1.00 0.00 C ATOM 1728 C GLU A 112 13.268 -6.335 6.224 1.00 0.00 C ATOM 1729 O GLU A 112 12.739 -7.169 6.959 1.00 0.00 O ATOM 1730 CB GLU A 112 15.055 -7.197 4.678 1.00 0.00 C ATOM 1731 CG GLU A 112 16.131 -6.166 5.007 1.00 0.00 C ATOM 1732 CD GLU A 112 16.559 -5.344 3.807 1.00 0.00 C ATOM 1733 OE1 GLU A 112 15.772 -4.491 3.352 1.00 0.00 O ATOM 1734 OE2 GLU A 112 17.689 -5.548 3.312 1.00 0.00 O ATOM 0 H GLU A 112 14.277 -5.123 3.524 1.00 0.00 H new ATOM 0 HA GLU A 112 12.941 -7.459 4.432 1.00 0.00 H new ATOM 0 HB2 GLU A 112 15.165 -8.045 5.353 1.00 0.00 H new ATOM 0 HB3 GLU A 112 15.225 -7.570 3.668 1.00 0.00 H new ATOM 0 HG2 GLU A 112 15.759 -5.497 5.783 1.00 0.00 H new ATOM 0 HG3 GLU A 112 17.001 -6.678 5.418 1.00 0.00 H new ATOM 1741 N GLU A 113 13.568 -5.105 6.623 1.00 0.00 N ATOM 1742 CA GLU A 113 13.256 -4.632 7.965 1.00 0.00 C ATOM 1743 C GLU A 113 11.749 -4.506 8.156 1.00 0.00 C ATOM 1744 O GLU A 113 11.222 -4.846 9.214 1.00 0.00 O ATOM 1745 CB GLU A 113 13.930 -3.283 8.222 1.00 0.00 C ATOM 1746 CG GLU A 113 15.448 -3.352 8.242 1.00 0.00 C ATOM 1747 CD GLU A 113 15.981 -4.145 9.417 1.00 0.00 C ATOM 1748 OE1 GLU A 113 15.893 -3.646 10.560 1.00 0.00 O ATOM 1749 OE2 GLU A 113 16.504 -5.262 9.207 1.00 0.00 O ATOM 0 H GLU A 113 14.030 -4.414 6.032 1.00 0.00 H new ATOM 0 HA GLU A 113 13.636 -5.361 8.680 1.00 0.00 H new ATOM 0 HB2 GLU A 113 13.617 -2.578 7.452 1.00 0.00 H new ATOM 0 HB3 GLU A 113 13.581 -2.888 9.176 1.00 0.00 H new ATOM 0 HG2 GLU A 113 15.799 -3.804 7.314 1.00 0.00 H new ATOM 0 HG3 GLU A 113 15.853 -2.341 8.277 1.00 0.00 H new ATOM 1756 N ALA A 114 11.068 -4.043 7.113 1.00 0.00 N ATOM 1757 CA ALA A 114 9.621 -3.843 7.145 1.00 0.00 C ATOM 1758 C ALA A 114 8.887 -5.120 7.533 1.00 0.00 C ATOM 1759 O ALA A 114 7.949 -5.093 8.326 1.00 0.00 O ATOM 1760 CB ALA A 114 9.132 -3.354 5.787 1.00 0.00 C ATOM 0 H ALA A 114 11.501 -3.796 6.223 1.00 0.00 H new ATOM 0 HA ALA A 114 9.405 -3.090 7.903 1.00 0.00 H new ATOM 0 HB1 ALA A 114 8.052 -3.208 5.820 1.00 0.00 H new ATOM 0 HB2 ALA A 114 9.619 -2.410 5.543 1.00 0.00 H new ATOM 0 HB3 ALA A 114 9.375 -4.094 5.025 1.00 0.00 H new ATOM 1766 N LEU A 115 9.340 -6.241 6.989 1.00 0.00 N ATOM 1767 CA LEU A 115 8.681 -7.520 7.216 1.00 0.00 C ATOM 1768 C LEU A 115 8.920 -8.044 8.627 1.00 0.00 C ATOM 1769 O LEU A 115 8.268 -8.995 9.058 1.00 0.00 O ATOM 1770 CB LEU A 115 9.131 -8.550 6.179 1.00 0.00 C ATOM 1771 CG LEU A 115 8.373 -8.498 4.854 1.00 0.00 C ATOM 1772 CD1 LEU A 115 8.844 -9.607 3.932 1.00 0.00 C ATOM 1773 CD2 LEU A 115 6.871 -8.594 5.091 1.00 0.00 C ATOM 0 H LEU A 115 10.162 -6.291 6.387 1.00 0.00 H new ATOM 0 HA LEU A 115 7.609 -7.355 7.107 1.00 0.00 H new ATOM 0 HB2 LEU A 115 10.193 -8.404 5.980 1.00 0.00 H new ATOM 0 HB3 LEU A 115 9.020 -9.547 6.606 1.00 0.00 H new ATOM 0 HG LEU A 115 8.580 -7.541 4.374 1.00 0.00 H new ATOM 0 HD11 LEU A 115 8.294 -9.557 2.992 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.910 -9.489 3.736 1.00 0.00 H new ATOM 0 HD13 LEU A 115 8.667 -10.573 4.405 1.00 0.00 H new ATOM 0 HD21 LEU A 115 6.349 -8.555 4.135 1.00 0.00 H new ATOM 0 HD22 LEU A 115 6.641 -9.534 5.592 1.00 0.00 H new ATOM 0 HD23 LEU A 115 6.547 -7.761 5.715 1.00 0.00 H new ATOM 1785 N GLN A 116 9.859 -7.438 9.343 1.00 0.00 N ATOM 1786 CA GLN A 116 10.112 -7.791 10.732 1.00 0.00 C ATOM 1787 C GLN A 116 9.150 -7.056 11.654 1.00 0.00 C ATOM 1788 O GLN A 116 9.047 -7.367 12.845 1.00 0.00 O ATOM 1789 CB GLN A 116 11.545 -7.421 11.098 1.00 0.00 C ATOM 1790 CG GLN A 116 12.586 -8.058 10.196 1.00 0.00 C ATOM 1791 CD GLN A 116 13.930 -7.374 10.303 1.00 0.00 C ATOM 1792 OE1 GLN A 116 14.302 -6.859 11.356 1.00 0.00 O ATOM 1793 NE2 GLN A 116 14.657 -7.345 9.202 1.00 0.00 N ATOM 0 H GLN A 116 10.459 -6.697 8.982 1.00 0.00 H new ATOM 0 HA GLN A 116 9.964 -8.864 10.852 1.00 0.00 H new ATOM 0 HB2 GLN A 116 11.654 -6.337 11.056 1.00 0.00 H new ATOM 0 HB3 GLN A 116 11.737 -7.720 12.128 1.00 0.00 H new ATOM 0 HG2 GLN A 116 12.694 -9.111 10.456 1.00 0.00 H new ATOM 0 HG3 GLN A 116 12.242 -8.019 9.163 1.00 0.00 H new ATOM 0 HE21 GLN A 116 14.310 -7.785 8.350 1.00 0.00 H new ATOM 0 HE22 GLN A 116 15.566 -6.882 9.203 1.00 0.00 H new ATOM 1802 N TYR A 117 8.453 -6.078 11.100 1.00 0.00 N ATOM 1803 CA TYR A 117 7.512 -5.280 11.866 1.00 0.00 C ATOM 1804 C TYR A 117 6.131 -5.916 11.834 1.00 0.00 C ATOM 1805 O TYR A 117 5.865 -6.793 11.010 1.00 0.00 O ATOM 1806 CB TYR A 117 7.443 -3.851 11.319 1.00 0.00 C ATOM 1807 CG TYR A 117 8.591 -2.976 11.760 1.00 0.00 C ATOM 1808 CD1 TYR A 117 8.524 -2.246 12.938 1.00 0.00 C ATOM 1809 CD2 TYR A 117 9.736 -2.876 10.993 1.00 0.00 C ATOM 1810 CE1 TYR A 117 9.574 -1.446 13.343 1.00 0.00 C ATOM 1811 CE2 TYR A 117 10.795 -2.081 11.387 1.00 0.00 C ATOM 1812 CZ TYR A 117 10.707 -1.364 12.562 1.00 0.00 C ATOM 1813 OH TYR A 117 11.759 -0.570 12.963 1.00 0.00 O ATOM 0 H TYR A 117 8.522 -5.817 10.116 1.00 0.00 H new ATOM 0 HA TYR A 117 7.860 -5.240 12.898 1.00 0.00 H new ATOM 0 HB2 TYR A 117 7.424 -3.889 10.230 1.00 0.00 H new ATOM 0 HB3 TYR A 117 6.506 -3.394 11.638 1.00 0.00 H new ATOM 0 HD1 TYR A 117 7.635 -2.305 13.549 1.00 0.00 H new ATOM 0 HD2 TYR A 117 9.804 -3.430 10.068 1.00 0.00 H new ATOM 0 HE1 TYR A 117 9.508 -0.888 14.265 1.00 0.00 H new ATOM 0 HE2 TYR A 117 11.686 -2.021 10.779 1.00 0.00 H new ATOM 0 HH TYR A 117 12.480 -0.624 12.302 1.00 0.00 H new ATOM 1823 N PRO A 118 5.234 -5.494 12.736 1.00 0.00 N ATOM 1824 CA PRO A 118 3.869 -5.997 12.770 1.00 0.00 C ATOM 1825 C PRO A 118 3.038 -5.454 11.610 1.00 0.00 C ATOM 1826 O PRO A 118 2.294 -4.484 11.760 1.00 0.00 O ATOM 1827 CB PRO A 118 3.326 -5.507 14.112 1.00 0.00 C ATOM 1828 CG PRO A 118 4.148 -4.312 14.456 1.00 0.00 C ATOM 1829 CD PRO A 118 5.489 -4.498 13.793 1.00 0.00 C ATOM 0 HA PRO A 118 3.828 -7.082 12.669 1.00 0.00 H new ATOM 0 HB2 PRO A 118 2.269 -5.250 14.038 1.00 0.00 H new ATOM 0 HB3 PRO A 118 3.414 -6.278 14.877 1.00 0.00 H new ATOM 0 HG2 PRO A 118 3.667 -3.399 14.106 1.00 0.00 H new ATOM 0 HG3 PRO A 118 4.261 -4.219 15.536 1.00 0.00 H new ATOM 0 HD2 PRO A 118 5.861 -3.562 13.377 1.00 0.00 H new ATOM 0 HD3 PRO A 118 6.238 -4.852 14.501 1.00 0.00 H new ATOM 1837 N LEU A 119 3.215 -6.058 10.446 1.00 0.00 N ATOM 1838 CA LEU A 119 2.473 -5.675 9.258 1.00 0.00 C ATOM 1839 C LEU A 119 1.180 -6.471 9.160 1.00 0.00 C ATOM 1840 O LEU A 119 1.088 -7.590 9.674 1.00 0.00 O ATOM 1841 CB LEU A 119 3.315 -5.906 7.999 1.00 0.00 C ATOM 1842 CG LEU A 119 4.502 -4.958 7.805 1.00 0.00 C ATOM 1843 CD1 LEU A 119 5.243 -5.302 6.523 1.00 0.00 C ATOM 1844 CD2 LEU A 119 4.032 -3.515 7.768 1.00 0.00 C ATOM 0 H LEU A 119 3.873 -6.823 10.299 1.00 0.00 H new ATOM 0 HA LEU A 119 2.235 -4.614 9.335 1.00 0.00 H new ATOM 0 HB2 LEU A 119 3.691 -6.929 8.020 1.00 0.00 H new ATOM 0 HB3 LEU A 119 2.663 -5.824 7.129 1.00 0.00 H new ATOM 0 HG LEU A 119 5.182 -5.078 8.649 1.00 0.00 H new ATOM 0 HD11 LEU A 119 6.085 -4.621 6.396 1.00 0.00 H new ATOM 0 HD12 LEU A 119 5.610 -6.327 6.579 1.00 0.00 H new ATOM 0 HD13 LEU A 119 4.566 -5.205 5.674 1.00 0.00 H new ATOM 0 HD21 LEU A 119 4.889 -2.856 7.630 1.00 0.00 H new ATOM 0 HD22 LEU A 119 3.334 -3.381 6.942 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.534 -3.270 8.706 1.00 0.00 H new ATOM 1856 N ALA A 120 0.183 -5.890 8.508 1.00 0.00 N ATOM 1857 CA ALA A 120 -1.083 -6.570 8.287 1.00 0.00 C ATOM 1858 C ALA A 120 -0.894 -7.770 7.354 1.00 0.00 C ATOM 1859 O ALA A 120 0.053 -7.806 6.565 1.00 0.00 O ATOM 1860 CB ALA A 120 -2.106 -5.598 7.720 1.00 0.00 C ATOM 0 H ALA A 120 0.228 -4.947 8.122 1.00 0.00 H new ATOM 0 HA ALA A 120 -1.453 -6.942 9.242 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.051 -6.117 7.558 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -2.258 -4.779 8.423 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -1.744 -5.200 6.772 1.00 0.00 H new ATOM 1866 N PRO A 121 -1.792 -8.770 7.430 1.00 0.00 N ATOM 1867 CA PRO A 121 -1.678 -10.015 6.649 1.00 0.00 C ATOM 1868 C PRO A 121 -1.661 -9.792 5.135 1.00 0.00 C ATOM 1869 O PRO A 121 -1.309 -10.692 4.375 1.00 0.00 O ATOM 1870 CB PRO A 121 -2.923 -10.814 7.047 1.00 0.00 C ATOM 1871 CG PRO A 121 -3.853 -9.821 7.653 1.00 0.00 C ATOM 1872 CD PRO A 121 -2.980 -8.785 8.298 1.00 0.00 C ATOM 0 HA PRO A 121 -0.735 -10.518 6.863 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -3.374 -11.296 6.180 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -2.673 -11.603 7.757 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -4.496 -9.374 6.895 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -4.506 -10.294 8.386 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -3.467 -7.811 8.333 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -2.727 -9.052 9.324 1.00 0.00 H new ATOM 1880 N ALA A 122 -2.039 -8.601 4.698 1.00 0.00 N ATOM 1881 CA ALA A 122 -2.043 -8.286 3.278 1.00 0.00 C ATOM 1882 C ALA A 122 -0.766 -7.566 2.875 1.00 0.00 C ATOM 1883 O ALA A 122 -0.330 -7.661 1.729 1.00 0.00 O ATOM 1884 CB ALA A 122 -3.255 -7.447 2.920 1.00 0.00 C ATOM 0 H ALA A 122 -2.346 -7.839 5.303 1.00 0.00 H new ATOM 0 HA ALA A 122 -2.094 -9.225 2.727 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -3.240 -7.222 1.854 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -4.164 -7.999 3.161 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -3.234 -6.517 3.487 1.00 0.00 H new ATOM 1890 N ASP A 123 -0.159 -6.879 3.830 1.00 0.00 N ATOM 1891 CA ASP A 123 1.028 -6.069 3.568 1.00 0.00 C ATOM 1892 C ASP A 123 2.259 -6.950 3.469 1.00 0.00 C ATOM 1893 O ASP A 123 3.239 -6.600 2.811 1.00 0.00 O ATOM 1894 CB ASP A 123 1.219 -5.027 4.676 1.00 0.00 C ATOM 1895 CG ASP A 123 0.125 -3.977 4.686 1.00 0.00 C ATOM 1896 OD1 ASP A 123 -1.026 -4.321 5.042 1.00 0.00 O ATOM 1897 OD2 ASP A 123 0.413 -2.812 4.339 1.00 0.00 O ATOM 0 H ASP A 123 -0.469 -6.864 4.802 1.00 0.00 H new ATOM 0 HA ASP A 123 0.888 -5.552 2.619 1.00 0.00 H new ATOM 0 HB2 ASP A 123 1.243 -5.530 5.642 1.00 0.00 H new ATOM 0 HB3 ASP A 123 2.185 -4.538 4.547 1.00 0.00 H new ATOM 1902 N ILE A 124 2.191 -8.111 4.106 1.00 0.00 N ATOM 1903 CA ILE A 124 3.304 -9.049 4.106 1.00 0.00 C ATOM 1904 C ILE A 124 3.572 -9.583 2.688 1.00 0.00 C ATOM 1905 O ILE A 124 4.668 -9.399 2.163 1.00 0.00 O ATOM 1906 CB ILE A 124 3.057 -10.218 5.091 1.00 0.00 C ATOM 1907 CG1 ILE A 124 2.901 -9.683 6.518 1.00 0.00 C ATOM 1908 CG2 ILE A 124 4.190 -11.237 5.024 1.00 0.00 C ATOM 1909 CD1 ILE A 124 2.544 -10.748 7.534 1.00 0.00 C ATOM 0 H ILE A 124 1.375 -8.426 4.630 1.00 0.00 H new ATOM 0 HA ILE A 124 4.189 -8.509 4.443 1.00 0.00 H new ATOM 0 HB ILE A 124 2.134 -10.721 4.801 1.00 0.00 H new ATOM 0 HG12 ILE A 124 3.832 -9.203 6.820 1.00 0.00 H new ATOM 0 HG13 ILE A 124 2.129 -8.914 6.525 1.00 0.00 H new ATOM 0 HG21 ILE A 124 3.992 -12.048 5.725 1.00 0.00 H new ATOM 0 HG22 ILE A 124 4.258 -11.640 4.013 1.00 0.00 H new ATOM 0 HG23 ILE A 124 5.131 -10.753 5.285 1.00 0.00 H new ATOM 0 HD11 ILE A 124 2.451 -10.293 8.520 1.00 0.00 H new ATOM 0 HD12 ILE A 124 1.597 -11.212 7.257 1.00 0.00 H new ATOM 0 HD13 ILE A 124 3.327 -11.506 7.557 1.00 0.00 H new ATOM 1921 N PRO A 125 2.577 -10.233 2.036 1.00 0.00 N ATOM 1922 CA PRO A 125 2.731 -10.745 0.664 1.00 0.00 C ATOM 1923 C PRO A 125 3.099 -9.651 -0.338 1.00 0.00 C ATOM 1924 O PRO A 125 3.799 -9.906 -1.318 1.00 0.00 O ATOM 1925 CB PRO A 125 1.355 -11.335 0.324 1.00 0.00 C ATOM 1926 CG PRO A 125 0.425 -10.791 1.349 1.00 0.00 C ATOM 1927 CD PRO A 125 1.245 -10.548 2.577 1.00 0.00 C ATOM 0 HA PRO A 125 3.543 -11.470 0.606 1.00 0.00 H new ATOM 0 HB2 PRO A 125 1.043 -11.049 -0.680 1.00 0.00 H new ATOM 0 HB3 PRO A 125 1.377 -12.424 0.353 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -0.038 -9.867 1.002 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -0.382 -11.495 1.554 1.00 0.00 H new ATOM 0 HD2 PRO A 125 0.847 -9.725 3.171 1.00 0.00 H new ATOM 0 HD3 PRO A 125 1.270 -11.425 3.224 1.00 0.00 H new ATOM 1935 N LEU A 126 2.642 -8.428 -0.081 1.00 0.00 N ATOM 1936 CA LEU A 126 2.933 -7.308 -0.967 1.00 0.00 C ATOM 1937 C LEU A 126 4.399 -6.929 -0.858 1.00 0.00 C ATOM 1938 O LEU A 126 5.050 -6.612 -1.853 1.00 0.00 O ATOM 1939 CB LEU A 126 2.056 -6.101 -0.619 1.00 0.00 C ATOM 1940 CG LEU A 126 0.554 -6.299 -0.832 1.00 0.00 C ATOM 1941 CD1 LEU A 126 -0.219 -5.073 -0.372 1.00 0.00 C ATOM 1942 CD2 LEU A 126 0.261 -6.596 -2.293 1.00 0.00 C ATOM 0 H LEU A 126 2.071 -8.190 0.730 1.00 0.00 H new ATOM 0 HA LEU A 126 2.714 -7.612 -1.991 1.00 0.00 H new ATOM 0 HB2 LEU A 126 2.226 -5.838 0.425 1.00 0.00 H new ATOM 0 HB3 LEU A 126 2.382 -5.251 -1.219 1.00 0.00 H new ATOM 0 HG LEU A 126 0.231 -7.151 -0.234 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -1.285 -5.234 -0.532 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -0.033 -4.902 0.688 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.106 -4.203 -0.942 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -0.812 -6.734 -2.428 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.600 -5.763 -2.909 1.00 0.00 H new ATOM 0 HD23 LEU A 126 0.784 -7.504 -2.592 1.00 0.00 H new ATOM 1954 N LEU A 127 4.920 -6.987 0.357 1.00 0.00 N ATOM 1955 CA LEU A 127 6.314 -6.660 0.597 1.00 0.00 C ATOM 1956 C LEU A 127 7.203 -7.764 0.046 1.00 0.00 C ATOM 1957 O LEU A 127 8.253 -7.490 -0.544 1.00 0.00 O ATOM 1958 CB LEU A 127 6.575 -6.461 2.093 1.00 0.00 C ATOM 1959 CG LEU A 127 7.838 -5.661 2.439 1.00 0.00 C ATOM 1960 CD1 LEU A 127 9.105 -6.460 2.178 1.00 0.00 C ATOM 1961 CD2 LEU A 127 7.863 -4.384 1.630 1.00 0.00 C ATOM 0 H LEU A 127 4.398 -7.257 1.191 1.00 0.00 H new ATOM 0 HA LEU A 127 6.547 -5.726 0.086 1.00 0.00 H new ATOM 0 HB2 LEU A 127 5.714 -5.956 2.531 1.00 0.00 H new ATOM 0 HB3 LEU A 127 6.645 -7.441 2.566 1.00 0.00 H new ATOM 0 HG LEU A 127 7.807 -5.430 3.504 1.00 0.00 H new ATOM 0 HD11 LEU A 127 9.975 -5.857 2.436 1.00 0.00 H new ATOM 0 HD12 LEU A 127 9.097 -7.364 2.787 1.00 0.00 H new ATOM 0 HD13 LEU A 127 9.152 -6.733 1.124 1.00 0.00 H new ATOM 0 HD21 LEU A 127 8.760 -3.815 1.875 1.00 0.00 H new ATOM 0 HD22 LEU A 127 7.867 -4.627 0.567 1.00 0.00 H new ATOM 0 HD23 LEU A 127 6.981 -3.788 1.863 1.00 0.00 H new ATOM 1973 N GLU A 128 6.764 -9.006 0.223 1.00 0.00 N ATOM 1974 CA GLU A 128 7.504 -10.162 -0.264 1.00 0.00 C ATOM 1975 C GLU A 128 7.840 -10.005 -1.741 1.00 0.00 C ATOM 1976 O GLU A 128 8.958 -10.296 -2.166 1.00 0.00 O ATOM 1977 CB GLU A 128 6.687 -11.442 -0.059 1.00 0.00 C ATOM 1978 CG GLU A 128 6.611 -11.909 1.386 1.00 0.00 C ATOM 1979 CD GLU A 128 7.855 -12.655 1.822 1.00 0.00 C ATOM 1980 OE1 GLU A 128 8.938 -12.046 1.860 1.00 0.00 O ATOM 1981 OE2 GLU A 128 7.753 -13.862 2.133 1.00 0.00 O ATOM 0 H GLU A 128 5.894 -9.237 0.703 1.00 0.00 H new ATOM 0 HA GLU A 128 8.432 -10.232 0.303 1.00 0.00 H new ATOM 0 HB2 GLU A 128 5.675 -11.277 -0.429 1.00 0.00 H new ATOM 0 HB3 GLU A 128 7.122 -12.238 -0.664 1.00 0.00 H new ATOM 0 HG2 GLU A 128 6.462 -11.046 2.036 1.00 0.00 H new ATOM 0 HG3 GLU A 128 5.742 -12.555 1.510 1.00 0.00 H new ATOM 1988 N ALA A 129 6.879 -9.524 -2.520 1.00 0.00 N ATOM 1989 CA ALA A 129 7.094 -9.339 -3.944 1.00 0.00 C ATOM 1990 C ALA A 129 7.806 -8.031 -4.242 1.00 0.00 C ATOM 1991 O ALA A 129 8.379 -7.871 -5.313 1.00 0.00 O ATOM 1992 CB ALA A 129 5.794 -9.405 -4.710 1.00 0.00 C ATOM 0 H ALA A 129 5.951 -9.258 -2.190 1.00 0.00 H new ATOM 0 HA ALA A 129 7.734 -10.157 -4.273 1.00 0.00 H new ATOM 0 HB1 ALA A 129 5.990 -9.263 -5.773 1.00 0.00 H new ATOM 0 HB2 ALA A 129 5.329 -10.378 -4.554 1.00 0.00 H new ATOM 0 HB3 ALA A 129 5.123 -8.622 -4.357 1.00 0.00 H new ATOM 1998 N PHE A 130 7.783 -7.089 -3.305 1.00 0.00 N ATOM 1999 CA PHE A 130 8.495 -5.838 -3.501 1.00 0.00 C ATOM 2000 C PHE A 130 9.983 -6.096 -3.364 1.00 0.00 C ATOM 2001 O PHE A 130 10.789 -5.647 -4.180 1.00 0.00 O ATOM 2002 CB PHE A 130 8.052 -4.776 -2.489 1.00 0.00 C ATOM 2003 CG PHE A 130 8.758 -3.459 -2.662 1.00 0.00 C ATOM 2004 CD1 PHE A 130 8.335 -2.549 -3.615 1.00 0.00 C ATOM 2005 CD2 PHE A 130 9.851 -3.138 -1.876 1.00 0.00 C ATOM 2006 CE1 PHE A 130 8.984 -1.341 -3.778 1.00 0.00 C ATOM 2007 CE2 PHE A 130 10.505 -1.932 -2.034 1.00 0.00 C ATOM 2008 CZ PHE A 130 10.074 -1.033 -2.989 1.00 0.00 C ATOM 0 H PHE A 130 7.287 -7.168 -2.417 1.00 0.00 H new ATOM 0 HA PHE A 130 8.268 -5.458 -4.497 1.00 0.00 H new ATOM 0 HB2 PHE A 130 6.977 -4.620 -2.584 1.00 0.00 H new ATOM 0 HB3 PHE A 130 8.232 -5.147 -1.480 1.00 0.00 H new ATOM 0 HD1 PHE A 130 7.486 -2.787 -4.239 1.00 0.00 H new ATOM 0 HD2 PHE A 130 10.196 -3.839 -1.130 1.00 0.00 H new ATOM 0 HE1 PHE A 130 8.639 -0.638 -4.522 1.00 0.00 H new ATOM 0 HE2 PHE A 130 11.354 -1.692 -1.411 1.00 0.00 H new ATOM 0 HZ PHE A 130 10.588 -0.092 -3.118 1.00 0.00 H new ATOM 2018 N MET A 131 10.344 -6.840 -2.329 1.00 0.00 N ATOM 2019 CA MET A 131 11.725 -7.225 -2.139 1.00 0.00 C ATOM 2020 C MET A 131 12.117 -8.251 -3.195 1.00 0.00 C ATOM 2021 O MET A 131 13.267 -8.285 -3.622 1.00 0.00 O ATOM 2022 CB MET A 131 11.975 -7.751 -0.717 1.00 0.00 C ATOM 2023 CG MET A 131 11.346 -9.101 -0.418 1.00 0.00 C ATOM 2024 SD MET A 131 11.754 -9.690 1.237 1.00 0.00 S ATOM 2025 CE MET A 131 13.542 -9.773 1.140 1.00 0.00 C ATOM 0 H MET A 131 9.702 -7.185 -1.615 1.00 0.00 H new ATOM 0 HA MET A 131 12.354 -6.343 -2.258 1.00 0.00 H new ATOM 0 HB2 MET A 131 13.051 -7.823 -0.555 1.00 0.00 H new ATOM 0 HB3 MET A 131 11.593 -7.022 -0.002 1.00 0.00 H new ATOM 0 HG2 MET A 131 10.263 -9.026 -0.519 1.00 0.00 H new ATOM 0 HG3 MET A 131 11.685 -9.829 -1.155 1.00 0.00 H new ATOM 0 HE1 MET A 131 13.916 -10.462 1.897 1.00 0.00 H new ATOM 0 HE2 MET A 131 13.837 -10.125 0.152 1.00 0.00 H new ATOM 0 HE3 MET A 131 13.962 -8.782 1.312 1.00 0.00 H new ATOM 2035 N ALA A 132 11.160 -9.073 -3.636 1.00 0.00 N ATOM 2036 CA ALA A 132 11.382 -9.972 -4.762 1.00 0.00 C ATOM 2037 C ALA A 132 11.707 -9.192 -6.026 1.00 0.00 C ATOM 2038 O ALA A 132 12.590 -9.574 -6.792 1.00 0.00 O ATOM 2039 CB ALA A 132 10.149 -10.837 -4.995 1.00 0.00 C ATOM 0 H ALA A 132 10.227 -9.131 -3.228 1.00 0.00 H new ATOM 0 HA ALA A 132 12.232 -10.611 -4.521 1.00 0.00 H new ATOM 0 HB1 ALA A 132 10.327 -11.504 -5.838 1.00 0.00 H new ATOM 0 HB2 ALA A 132 9.945 -11.428 -4.102 1.00 0.00 H new ATOM 0 HB3 ALA A 132 9.292 -10.199 -5.212 1.00 0.00 H new ATOM 2045 N LEU A 133 11.006 -8.084 -6.229 1.00 0.00 N ATOM 2046 CA LEU A 133 11.189 -7.275 -7.422 1.00 0.00 C ATOM 2047 C LEU A 133 12.568 -6.644 -7.428 1.00 0.00 C ATOM 2048 O LEU A 133 13.203 -6.537 -8.469 1.00 0.00 O ATOM 2049 CB LEU A 133 10.119 -6.189 -7.515 1.00 0.00 C ATOM 2050 CG LEU A 133 9.151 -6.340 -8.687 1.00 0.00 C ATOM 2051 CD1 LEU A 133 8.345 -7.624 -8.559 1.00 0.00 C ATOM 2052 CD2 LEU A 133 8.237 -5.132 -8.768 1.00 0.00 C ATOM 0 H LEU A 133 10.305 -7.726 -5.580 1.00 0.00 H new ATOM 0 HA LEU A 133 11.094 -7.929 -8.289 1.00 0.00 H new ATOM 0 HB2 LEU A 133 9.546 -6.183 -6.588 1.00 0.00 H new ATOM 0 HB3 LEU A 133 10.611 -5.220 -7.592 1.00 0.00 H new ATOM 0 HG LEU A 133 9.728 -6.399 -9.610 1.00 0.00 H new ATOM 0 HD11 LEU A 133 7.662 -7.711 -9.404 1.00 0.00 H new ATOM 0 HD12 LEU A 133 9.021 -8.479 -8.550 1.00 0.00 H new ATOM 0 HD13 LEU A 133 7.773 -7.604 -7.631 1.00 0.00 H new ATOM 0 HD21 LEU A 133 7.551 -5.250 -9.607 1.00 0.00 H new ATOM 0 HD22 LEU A 133 7.667 -5.044 -7.843 1.00 0.00 H new ATOM 0 HD23 LEU A 133 8.835 -4.232 -8.912 1.00 0.00 H new ATOM 2064 N ARG A 134 13.035 -6.245 -6.257 1.00 0.00 N ATOM 2065 CA ARG A 134 14.351 -5.637 -6.143 1.00 0.00 C ATOM 2066 C ARG A 134 15.444 -6.701 -6.099 1.00 0.00 C ATOM 2067 O ARG A 134 16.620 -6.401 -6.297 1.00 0.00 O ATOM 2068 CB ARG A 134 14.430 -4.746 -4.901 1.00 0.00 C ATOM 2069 CG ARG A 134 13.500 -3.546 -4.961 1.00 0.00 C ATOM 2070 CD ARG A 134 13.637 -2.662 -3.734 1.00 0.00 C ATOM 2071 NE ARG A 134 14.994 -2.142 -3.575 1.00 0.00 N ATOM 2072 CZ ARG A 134 15.291 -0.846 -3.485 1.00 0.00 C ATOM 2073 NH1 ARG A 134 14.339 0.070 -3.588 1.00 0.00 N ATOM 2074 NH2 ARG A 134 16.549 -0.466 -3.303 1.00 0.00 N ATOM 0 H ARG A 134 12.527 -6.330 -5.377 1.00 0.00 H new ATOM 0 HA ARG A 134 14.510 -5.019 -7.026 1.00 0.00 H new ATOM 0 HB2 ARG A 134 14.188 -5.341 -4.020 1.00 0.00 H new ATOM 0 HB3 ARG A 134 15.455 -4.396 -4.778 1.00 0.00 H new ATOM 0 HG2 ARG A 134 13.718 -2.962 -5.855 1.00 0.00 H new ATOM 0 HG3 ARG A 134 12.469 -3.889 -5.048 1.00 0.00 H new ATOM 0 HD2 ARG A 134 12.937 -1.829 -3.809 1.00 0.00 H new ATOM 0 HD3 ARG A 134 13.362 -3.231 -2.846 1.00 0.00 H new ATOM 0 HE ARG A 134 15.761 -2.813 -3.530 1.00 0.00 H new ATOM 0 HH11 ARG A 134 13.371 -0.215 -3.737 1.00 0.00 H new ATOM 0 HH12 ARG A 134 14.574 1.060 -3.518 1.00 0.00 H new ATOM 0 HH21 ARG A 134 17.288 -1.166 -3.232 1.00 0.00 H new ATOM 0 HH22 ARG A 134 16.777 0.526 -3.234 1.00 0.00 H new ATOM 2088 N ALA A 135 15.056 -7.947 -5.850 1.00 0.00 N ATOM 2089 CA ALA A 135 16.014 -9.043 -5.770 1.00 0.00 C ATOM 2090 C ALA A 135 16.198 -9.710 -7.130 1.00 0.00 C ATOM 2091 O ALA A 135 17.300 -10.130 -7.483 1.00 0.00 O ATOM 2092 CB ALA A 135 15.569 -10.070 -4.740 1.00 0.00 C ATOM 0 H ALA A 135 14.085 -8.223 -5.700 1.00 0.00 H new ATOM 0 HA ALA A 135 16.972 -8.626 -5.459 1.00 0.00 H new ATOM 0 HB1 ALA A 135 16.297 -10.880 -4.695 1.00 0.00 H new ATOM 0 HB2 ALA A 135 15.494 -9.595 -3.762 1.00 0.00 H new ATOM 0 HB3 ALA A 135 14.596 -10.472 -5.024 1.00 0.00 H new ATOM 2098 N ALA A 136 15.113 -9.819 -7.882 1.00 0.00 N ATOM 2099 CA ALA A 136 15.164 -10.416 -9.210 1.00 0.00 C ATOM 2100 C ALA A 136 15.385 -9.348 -10.270 1.00 0.00 C ATOM 2101 O ALA A 136 16.095 -9.574 -11.249 1.00 0.00 O ATOM 2102 CB ALA A 136 13.887 -11.192 -9.500 1.00 0.00 C ATOM 0 H ALA A 136 14.186 -9.502 -7.596 1.00 0.00 H new ATOM 0 HA ALA A 136 16.004 -11.110 -9.238 1.00 0.00 H new ATOM 0 HB1 ALA A 136 13.946 -11.630 -10.497 1.00 0.00 H new ATOM 0 HB2 ALA A 136 13.768 -11.985 -8.762 1.00 0.00 H new ATOM 0 HB3 ALA A 136 13.032 -10.518 -9.450 1.00 0.00 H new ATOM 2108 N ARG A 137 14.777 -8.187 -10.042 1.00 0.00 N ATOM 2109 CA ARG A 137 14.845 -7.046 -10.956 1.00 0.00 C ATOM 2110 C ARG A 137 14.179 -7.345 -12.297 1.00 0.00 C ATOM 2111 O ARG A 137 14.717 -8.078 -13.130 1.00 0.00 O ATOM 2112 CB ARG A 137 16.291 -6.578 -11.176 1.00 0.00 C ATOM 2113 CG ARG A 137 16.435 -5.583 -12.320 1.00 0.00 C ATOM 2114 CD ARG A 137 17.824 -4.978 -12.368 1.00 0.00 C ATOM 2115 NE ARG A 137 17.990 -3.908 -11.388 1.00 0.00 N ATOM 2116 CZ ARG A 137 19.152 -3.326 -11.102 1.00 0.00 C ATOM 2117 NH1 ARG A 137 20.272 -3.731 -11.689 1.00 0.00 N ATOM 2118 NH2 ARG A 137 19.185 -2.322 -10.233 1.00 0.00 N ATOM 0 H ARG A 137 14.217 -8.008 -9.209 1.00 0.00 H new ATOM 0 HA ARG A 137 14.292 -6.238 -10.478 1.00 0.00 H new ATOM 0 HB2 ARG A 137 16.661 -6.122 -10.258 1.00 0.00 H new ATOM 0 HB3 ARG A 137 16.920 -7.445 -11.377 1.00 0.00 H new ATOM 0 HG2 ARG A 137 16.223 -6.083 -13.265 1.00 0.00 H new ATOM 0 HG3 ARG A 137 15.697 -4.789 -12.207 1.00 0.00 H new ATOM 0 HD2 ARG A 137 18.565 -5.756 -12.184 1.00 0.00 H new ATOM 0 HD3 ARG A 137 18.014 -4.587 -13.367 1.00 0.00 H new ATOM 0 HE ARG A 137 17.160 -3.585 -10.890 1.00 0.00 H new ATOM 0 HH11 ARG A 137 20.246 -4.494 -12.365 1.00 0.00 H new ATOM 0 HH12 ARG A 137 21.158 -3.279 -11.464 1.00 0.00 H new ATOM 0 HH21 ARG A 137 18.324 -2.002 -9.790 1.00 0.00 H new ATOM 0 HH22 ARG A 137 20.072 -1.871 -10.009 1.00 0.00 H new ATOM 2132 N PRO A 138 12.985 -6.781 -12.517 1.00 0.00 N ATOM 2133 CA PRO A 138 12.327 -6.842 -13.816 1.00 0.00 C ATOM 2134 C PRO A 138 13.033 -5.942 -14.821 1.00 0.00 C ATOM 2135 O PRO A 138 13.032 -4.716 -14.692 1.00 0.00 O ATOM 2136 CB PRO A 138 10.916 -6.340 -13.531 1.00 0.00 C ATOM 2137 CG PRO A 138 11.072 -5.451 -12.350 1.00 0.00 C ATOM 2138 CD PRO A 138 12.184 -6.042 -11.524 1.00 0.00 C ATOM 0 HA PRO A 138 12.338 -7.842 -14.250 1.00 0.00 H new ATOM 0 HB2 PRO A 138 10.507 -5.799 -14.384 1.00 0.00 H new ATOM 0 HB3 PRO A 138 10.236 -7.165 -13.320 1.00 0.00 H new ATOM 0 HG2 PRO A 138 11.314 -4.434 -12.658 1.00 0.00 H new ATOM 0 HG3 PRO A 138 10.146 -5.399 -11.777 1.00 0.00 H new ATOM 0 HD2 PRO A 138 12.771 -5.269 -11.027 1.00 0.00 H new ATOM 0 HD3 PRO A 138 11.801 -6.701 -10.745 1.00 0.00 H new ATOM 2146 N ALA A 139 13.652 -6.561 -15.807 1.00 0.00 N ATOM 2147 CA ALA A 139 14.437 -5.833 -16.793 1.00 0.00 C ATOM 2148 C ALA A 139 13.524 -5.123 -17.779 1.00 0.00 C ATOM 2149 O ALA A 139 13.855 -4.058 -18.300 1.00 0.00 O ATOM 2150 CB ALA A 139 15.388 -6.775 -17.518 1.00 0.00 C ATOM 0 H ALA A 139 13.628 -7.571 -15.950 1.00 0.00 H new ATOM 0 HA ALA A 139 15.032 -5.080 -16.276 1.00 0.00 H new ATOM 0 HB1 ALA A 139 15.967 -6.214 -18.252 1.00 0.00 H new ATOM 0 HB2 ALA A 139 16.064 -7.235 -16.797 1.00 0.00 H new ATOM 0 HB3 ALA A 139 14.815 -7.551 -18.025 1.00 0.00 H new ATOM 2156 N ASP A 140 12.367 -5.713 -18.013 1.00 0.00 N ATOM 2157 CA ASP A 140 11.392 -5.151 -18.925 1.00 0.00 C ATOM 2158 C ASP A 140 10.014 -5.199 -18.287 1.00 0.00 C ATOM 2159 O ASP A 140 9.792 -6.066 -17.417 1.00 0.00 O ATOM 2160 CB ASP A 140 11.397 -5.888 -20.273 1.00 0.00 C ATOM 2161 CG ASP A 140 11.050 -7.361 -20.161 1.00 0.00 C ATOM 2162 OD1 ASP A 140 9.849 -7.689 -20.072 1.00 0.00 O ATOM 2163 OD2 ASP A 140 11.978 -8.201 -20.187 1.00 0.00 O ATOM 2164 OXT ASP A 140 9.160 -4.357 -18.636 1.00 0.00 O ATOM 0 H ASP A 140 12.079 -6.590 -17.579 1.00 0.00 H new ATOM 0 HA ASP A 140 11.658 -4.113 -19.124 1.00 0.00 H new ATOM 0 HB2 ASP A 140 10.686 -5.406 -20.944 1.00 0.00 H new ATOM 0 HB3 ASP A 140 12.382 -5.789 -20.728 1.00 0.00 H new TER 2169 ASP A 140