USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 931 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 53 HIS : no HD1:sc= 0.404 K(o=1.1,f=-1.5) USER MOD Set 1.2: A 94 SER OG : rot 89:sc= 0.705 USER MOD Set 2.1: A 82 GLN : amide:sc= 0 X(o=2.3,f=1.8) USER MOD Set 2.2: A 89 HIS : no HD1:sc= 0.98 K(o=2.3,f=-5.4!) USER MOD Set 2.3: A 119 THR OG1 : rot 91:sc= 1.29 USER MOD Set 3.1: A 64 MET CE :methyl -148:sc= -0.0246 (180deg=-0.341) USER MOD Set 3.2: A 67 GLN : amide:sc= -0.782 K(o=-0.81,f=-0.029) USER MOD Set 3.3: A 69 CYS SG : rot 180:sc=-0.00177 USER MOD Set 4.1: A 57 TYR OH : rot 14:sc= 0.0602 USER MOD Set 4.2: A 61 SER OG : rot 180:sc= 0.452 USER MOD Set 4.3: A 65 GLN : amide:sc= 0.487 X(o=1,f=1.3) USER MOD Set 5.1: A 28 HIS : no HD1:sc= 1.08 K(o=2.4,f=-5.5!) USER MOD Set 5.2: A 40 SER OG : rot -98:sc= 1.32 USER MOD Set 6.1: A 22 TYR OH : rot -157:sc= 1.24 USER MOD Set 6.2: A 102 HIS : no HE2:sc= -1.41 X(o=0.88,f=0.59) USER MOD Set 6.3: A 105 SER OG : rot -80:sc= 1.04 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 150:sc= 0.915 USER MOD Single : A 21 LYS NZ :NH3+ -163:sc= 1.18 (180deg=1.13) USER MOD Single : A 29 SER OG : rot 88:sc= 0.847 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 177:sc= 1.81 (180deg=1.72) USER MOD Single : A 47 TYR OH : rot 160:sc= 1.21 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -151:sc= 0.14 (180deg=0.00493) USER MOD Single : A 66 LYS NZ :NH3+ 152:sc= 1.13 (180deg=0.486) USER MOD Single : A 71 CYS SG : rot 100:sc= -1.4 USER MOD Single : A 73 CYS SG : rot 141:sc= 2.07 USER MOD Single : A 80 SER OG : rot 180:sc= -0.0879 USER MOD Single : A 81 HIS : no HE2:sc= 0.968 K(o=0.97,f=-2.9!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0.875 K(o=0.88,f=-0.022) USER MOD Single : A 86 LYS NZ :NH3+ -161:sc= 1.22 (180deg=1.18) USER MOD Single : A 87 LYS NZ :NH3+ -154:sc= 1.26 (180deg=1.22) USER MOD Single : A 91 TYR OH : rot 180:sc= 0.212 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl 178:sc= 0 (180deg=-0.00463) USER MOD Single : A 97 TYR OH : rot 80:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.128 X(o=-0.13,f=-0.13) USER MOD Single : A 106 THR OG1 : rot 21:sc= 0.281 USER MOD Single : A 108 LYS NZ :NH3+ 142:sc= 1.31 (180deg=-0.247) USER MOD Single : A 110 LYS NZ :NH3+ 140:sc= 1.22 (180deg=0.665) USER MOD Single : A 112 LYS NZ :NH3+ -151:sc= 1.28 (180deg=0.747) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 ASN : amide:sc= -0.296 K(o=-0.3,f=-0.81) USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.170 14.480 16.105 1.00 0.00 N ATOM 2 CA MET A 1 10.279 14.724 14.646 1.00 0.00 C ATOM 3 C MET A 1 9.486 13.655 13.892 1.00 0.00 C ATOM 4 O MET A 1 9.727 12.459 14.083 1.00 0.00 O ATOM 5 CB MET A 1 11.755 14.760 14.192 1.00 0.00 C ATOM 6 CG MET A 1 11.913 15.164 12.719 1.00 0.00 C ATOM 7 SD MET A 1 13.634 15.235 12.148 1.00 0.00 S ATOM 8 CE MET A 1 13.354 15.680 10.413 1.00 0.00 C ATOM 0 H1 MET A 1 10.709 15.206 16.620 1.00 0.00 H new ATOM 0 H2 MET A 1 9.171 14.523 16.390 1.00 0.00 H new ATOM 0 H3 MET A 1 10.554 13.540 16.329 1.00 0.00 H new ATOM 0 HA MET A 1 9.856 15.702 14.417 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.306 15.462 14.818 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.202 13.778 14.345 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.365 14.455 12.099 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.452 16.140 12.570 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.312 15.768 9.901 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.755 14.907 9.931 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.827 16.633 10.362 1.00 0.00 H new ATOM 20 N ALA A 2 8.545 14.066 13.033 1.00 0.00 N ATOM 21 CA ALA A 2 7.746 13.158 12.208 1.00 0.00 C ATOM 22 C ALA A 2 8.631 12.313 11.280 1.00 0.00 C ATOM 23 O ALA A 2 9.795 12.644 11.034 1.00 0.00 O ATOM 24 CB ALA A 2 6.729 13.970 11.395 1.00 0.00 C ATOM 0 H ALA A 2 8.316 15.050 12.891 1.00 0.00 H new ATOM 0 HA ALA A 2 7.217 12.468 12.865 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.133 13.296 10.780 1.00 0.00 H new ATOM 0 HB2 ALA A 2 6.074 14.517 12.074 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.256 14.676 10.753 1.00 0.00 H new ATOM 30 N VAL A 3 8.079 11.214 10.761 1.00 0.00 N ATOM 31 CA VAL A 3 8.725 10.368 9.768 1.00 0.00 C ATOM 32 C VAL A 3 8.874 11.113 8.429 1.00 0.00 C ATOM 33 O VAL A 3 8.165 12.092 8.172 1.00 0.00 O ATOM 34 CB VAL A 3 7.930 9.051 9.628 1.00 0.00 C ATOM 35 CG1 VAL A 3 7.923 8.267 10.951 1.00 0.00 C ATOM 36 CG2 VAL A 3 6.474 9.239 9.166 1.00 0.00 C ATOM 0 H VAL A 3 7.151 10.885 11.028 1.00 0.00 H new ATOM 0 HA VAL A 3 9.735 10.119 10.094 1.00 0.00 H new ATOM 0 HB VAL A 3 8.452 8.495 8.849 1.00 0.00 H new ATOM 0 HG11 VAL A 3 7.357 7.344 10.824 1.00 0.00 H new ATOM 0 HG12 VAL A 3 8.947 8.028 11.237 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.460 8.873 11.730 1.00 0.00 H new ATOM 0 HG21 VAL A 3 5.987 8.267 9.093 1.00 0.00 H new ATOM 0 HG22 VAL A 3 5.941 9.859 9.887 1.00 0.00 H new ATOM 0 HG23 VAL A 3 6.462 9.725 8.190 1.00 0.00 H new ATOM 46 N ALA A 4 9.794 10.648 7.570 1.00 0.00 N ATOM 47 CA ALA A 4 9.874 11.119 6.189 1.00 0.00 C ATOM 48 C ALA A 4 8.610 10.668 5.435 1.00 0.00 C ATOM 49 O ALA A 4 7.861 9.812 5.913 1.00 0.00 O ATOM 50 CB ALA A 4 11.158 10.602 5.517 1.00 0.00 C ATOM 0 H ALA A 4 10.492 9.945 7.813 1.00 0.00 H new ATOM 0 HA ALA A 4 9.921 12.208 6.168 1.00 0.00 H new ATOM 0 HB1 ALA A 4 11.201 10.962 4.489 1.00 0.00 H new ATOM 0 HB2 ALA A 4 12.027 10.965 6.066 1.00 0.00 H new ATOM 0 HB3 ALA A 4 11.156 9.512 5.520 1.00 0.00 H new ATOM 56 N ASP A 5 8.382 11.209 4.240 1.00 0.00 N ATOM 57 CA ASP A 5 7.175 10.959 3.454 1.00 0.00 C ATOM 58 C ASP A 5 7.544 10.931 1.976 1.00 0.00 C ATOM 59 O ASP A 5 8.501 11.593 1.571 1.00 0.00 O ATOM 60 CB ASP A 5 6.140 12.060 3.723 1.00 0.00 C ATOM 61 CG ASP A 5 4.896 11.871 2.845 1.00 0.00 C ATOM 62 OD1 ASP A 5 4.010 11.071 3.218 1.00 0.00 O ATOM 63 OD2 ASP A 5 4.826 12.493 1.763 1.00 0.00 O ATOM 0 H ASP A 5 9.039 11.842 3.784 1.00 0.00 H new ATOM 0 HA ASP A 5 6.741 10.000 3.737 1.00 0.00 H new ATOM 0 HB2 ASP A 5 5.853 12.045 4.774 1.00 0.00 H new ATOM 0 HB3 ASP A 5 6.583 13.036 3.527 1.00 0.00 H new ATOM 68 N LEU A 6 6.784 10.186 1.171 1.00 0.00 N ATOM 69 CA LEU A 6 7.017 9.989 -0.257 1.00 0.00 C ATOM 70 C LEU A 6 7.168 11.299 -1.041 1.00 0.00 C ATOM 71 O LEU A 6 7.904 11.325 -2.030 1.00 0.00 O ATOM 72 CB LEU A 6 5.854 9.178 -0.850 1.00 0.00 C ATOM 73 CG LEU A 6 5.762 7.694 -0.448 1.00 0.00 C ATOM 74 CD1 LEU A 6 4.464 7.099 -1.010 1.00 0.00 C ATOM 75 CD2 LEU A 6 6.953 6.857 -0.932 1.00 0.00 C ATOM 0 H LEU A 6 5.961 9.687 1.509 1.00 0.00 H new ATOM 0 HA LEU A 6 7.963 9.456 -0.351 1.00 0.00 H new ATOM 0 HB2 LEU A 6 4.921 9.665 -0.565 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.923 9.231 -1.937 1.00 0.00 H new ATOM 0 HG LEU A 6 5.773 7.659 0.641 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.394 6.048 -0.728 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.610 7.641 -0.605 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.465 7.184 -2.097 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.824 5.822 -0.614 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.009 6.898 -2.020 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.874 7.255 -0.506 1.00 0.00 H new ATOM 87 N ALA A 7 6.488 12.376 -0.633 1.00 0.00 N ATOM 88 CA ALA A 7 6.586 13.673 -1.283 1.00 0.00 C ATOM 89 C ALA A 7 7.905 14.389 -0.959 1.00 0.00 C ATOM 90 O ALA A 7 8.336 15.251 -1.727 1.00 0.00 O ATOM 91 CB ALA A 7 5.400 14.550 -0.864 1.00 0.00 C ATOM 0 H ALA A 7 5.851 12.365 0.164 1.00 0.00 H new ATOM 0 HA ALA A 7 6.565 13.504 -2.360 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.476 15.522 -1.352 1.00 0.00 H new ATOM 0 HB2 ALA A 7 4.468 14.067 -1.159 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.412 14.686 0.217 1.00 0.00 H new ATOM 97 N LEU A 8 8.533 14.063 0.176 1.00 0.00 N ATOM 98 CA LEU A 8 9.774 14.685 0.636 1.00 0.00 C ATOM 99 C LEU A 8 10.996 13.980 0.044 1.00 0.00 C ATOM 100 O LEU A 8 12.078 14.568 0.015 1.00 0.00 O ATOM 101 CB LEU A 8 9.859 14.653 2.176 1.00 0.00 C ATOM 102 CG LEU A 8 8.719 15.386 2.911 1.00 0.00 C ATOM 103 CD1 LEU A 8 8.885 15.210 4.425 1.00 0.00 C ATOM 104 CD2 LEU A 8 8.673 16.882 2.576 1.00 0.00 C ATOM 0 H LEU A 8 8.184 13.345 0.811 1.00 0.00 H new ATOM 0 HA LEU A 8 9.768 15.721 0.297 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.870 13.613 2.502 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.809 15.093 2.481 1.00 0.00 H new ATOM 0 HG LEU A 8 7.781 14.944 2.576 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.078 15.729 4.942 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.852 14.149 4.674 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.843 15.626 4.737 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.853 17.351 3.119 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.614 17.349 2.866 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.519 17.010 1.505 1.00 0.00 H new ATOM 116 N ILE A 9 10.845 12.734 -0.421 1.00 0.00 N ATOM 117 CA ILE A 9 11.905 11.993 -1.102 1.00 0.00 C ATOM 118 C ILE A 9 12.333 12.811 -2.341 1.00 0.00 C ATOM 119 O ILE A 9 11.447 13.260 -3.074 1.00 0.00 O ATOM 120 CB ILE A 9 11.405 10.578 -1.481 1.00 0.00 C ATOM 121 CG1 ILE A 9 11.020 9.807 -0.198 1.00 0.00 C ATOM 122 CG2 ILE A 9 12.476 9.805 -2.271 1.00 0.00 C ATOM 123 CD1 ILE A 9 10.524 8.379 -0.431 1.00 0.00 C ATOM 0 H ILE A 9 9.974 12.210 -0.333 1.00 0.00 H new ATOM 0 HA ILE A 9 12.769 11.856 -0.451 1.00 0.00 H new ATOM 0 HB ILE A 9 10.528 10.677 -2.121 1.00 0.00 H new ATOM 0 HG12 ILE A 9 11.887 9.772 0.462 1.00 0.00 H new ATOM 0 HG13 ILE A 9 10.244 10.365 0.325 1.00 0.00 H new ATOM 0 HG21 ILE A 9 12.098 8.815 -2.524 1.00 0.00 H new ATOM 0 HG22 ILE A 9 12.715 10.347 -3.186 1.00 0.00 H new ATOM 0 HG23 ILE A 9 13.375 9.705 -1.663 1.00 0.00 H new ATOM 0 HD11 ILE A 9 10.278 7.919 0.526 1.00 0.00 H new ATOM 0 HD12 ILE A 9 9.636 8.401 -1.062 1.00 0.00 H new ATOM 0 HD13 ILE A 9 11.304 7.799 -0.923 1.00 0.00 H new ATOM 135 N PRO A 10 13.644 13.003 -2.607 1.00 0.00 N ATOM 136 CA PRO A 10 14.145 13.598 -3.845 1.00 0.00 C ATOM 137 C PRO A 10 13.555 12.881 -5.064 1.00 0.00 C ATOM 138 O PRO A 10 13.872 11.716 -5.322 1.00 0.00 O ATOM 139 CB PRO A 10 15.676 13.500 -3.781 1.00 0.00 C ATOM 140 CG PRO A 10 15.961 13.433 -2.282 1.00 0.00 C ATOM 141 CD PRO A 10 14.758 12.668 -1.731 1.00 0.00 C ATOM 0 HA PRO A 10 13.846 14.641 -3.948 1.00 0.00 H new ATOM 0 HB2 PRO A 10 16.045 12.616 -4.301 1.00 0.00 H new ATOM 0 HB3 PRO A 10 16.154 14.364 -4.243 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.897 12.915 -2.073 1.00 0.00 H new ATOM 0 HG3 PRO A 10 16.041 14.427 -1.843 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.945 11.594 -1.728 1.00 0.00 H new ATOM 0 HD3 PRO A 10 14.548 12.958 -0.702 1.00 0.00 H new ATOM 149 N ASP A 11 12.689 13.562 -5.814 1.00 0.00 N ATOM 150 CA ASP A 11 11.881 12.936 -6.863 1.00 0.00 C ATOM 151 C ASP A 11 12.679 12.670 -8.142 1.00 0.00 C ATOM 152 O ASP A 11 12.529 11.626 -8.778 1.00 0.00 O ATOM 153 CB ASP A 11 10.675 13.834 -7.154 1.00 0.00 C ATOM 154 CG ASP A 11 9.567 13.059 -7.858 1.00 0.00 C ATOM 155 OD1 ASP A 11 9.007 12.140 -7.221 1.00 0.00 O ATOM 156 OD2 ASP A 11 9.198 13.407 -9.004 1.00 0.00 O ATOM 0 H ASP A 11 12.527 14.564 -5.712 1.00 0.00 H new ATOM 0 HA ASP A 11 11.550 11.962 -6.504 1.00 0.00 H new ATOM 0 HB2 ASP A 11 10.295 14.250 -6.221 1.00 0.00 H new ATOM 0 HB3 ASP A 11 10.986 14.674 -7.775 1.00 0.00 H new ATOM 161 N VAL A 12 13.606 13.570 -8.474 1.00 0.00 N ATOM 162 CA VAL A 12 14.467 13.503 -9.652 1.00 0.00 C ATOM 163 C VAL A 12 15.862 13.920 -9.186 1.00 0.00 C ATOM 164 O VAL A 12 15.995 14.890 -8.436 1.00 0.00 O ATOM 165 CB VAL A 12 13.929 14.441 -10.762 1.00 0.00 C ATOM 166 CG1 VAL A 12 14.820 14.429 -12.013 1.00 0.00 C ATOM 167 CG2 VAL A 12 12.509 14.065 -11.209 1.00 0.00 C ATOM 0 H VAL A 12 13.783 14.398 -7.906 1.00 0.00 H new ATOM 0 HA VAL A 12 14.493 12.501 -10.080 1.00 0.00 H new ATOM 0 HB VAL A 12 13.926 15.434 -10.312 1.00 0.00 H new ATOM 0 HG11 VAL A 12 14.403 15.101 -12.763 1.00 0.00 H new ATOM 0 HG12 VAL A 12 15.824 14.760 -11.748 1.00 0.00 H new ATOM 0 HG13 VAL A 12 14.866 13.418 -12.417 1.00 0.00 H new ATOM 0 HG21 VAL A 12 12.179 14.753 -11.988 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.508 13.047 -11.599 1.00 0.00 H new ATOM 0 HG23 VAL A 12 11.831 14.128 -10.358 1.00 0.00 H new ATOM 177 N ASP A 13 16.897 13.199 -9.625 1.00 0.00 N ATOM 178 CA ASP A 13 18.286 13.596 -9.424 1.00 0.00 C ATOM 179 C ASP A 13 19.114 13.039 -10.578 1.00 0.00 C ATOM 180 O ASP A 13 19.397 11.839 -10.629 1.00 0.00 O ATOM 181 CB ASP A 13 18.826 13.125 -8.066 1.00 0.00 C ATOM 182 CG ASP A 13 20.273 13.598 -7.843 1.00 0.00 C ATOM 183 OD1 ASP A 13 20.656 14.688 -8.325 1.00 0.00 O ATOM 184 OD2 ASP A 13 21.027 12.892 -7.139 1.00 0.00 O ATOM 0 H ASP A 13 16.791 12.320 -10.132 1.00 0.00 H new ATOM 0 HA ASP A 13 18.353 14.684 -9.413 1.00 0.00 H new ATOM 0 HB2 ASP A 13 18.190 13.507 -7.267 1.00 0.00 H new ATOM 0 HB3 ASP A 13 18.785 12.037 -8.014 1.00 0.00 H new ATOM 189 N ILE A 14 19.420 13.913 -11.536 1.00 0.00 N ATOM 190 CA ILE A 14 20.174 13.655 -12.760 1.00 0.00 C ATOM 191 C ILE A 14 21.004 14.918 -13.058 1.00 0.00 C ATOM 192 O ILE A 14 20.810 15.955 -12.415 1.00 0.00 O ATOM 193 CB ILE A 14 19.225 13.293 -13.938 1.00 0.00 C ATOM 194 CG1 ILE A 14 18.225 14.428 -14.276 1.00 0.00 C ATOM 195 CG2 ILE A 14 18.494 11.964 -13.666 1.00 0.00 C ATOM 196 CD1 ILE A 14 17.397 14.175 -15.542 1.00 0.00 C ATOM 0 H ILE A 14 19.127 14.888 -11.472 1.00 0.00 H new ATOM 0 HA ILE A 14 20.834 12.797 -12.633 1.00 0.00 H new ATOM 0 HB ILE A 14 19.853 13.167 -14.820 1.00 0.00 H new ATOM 0 HG12 ILE A 14 17.548 14.564 -13.433 1.00 0.00 H new ATOM 0 HG13 ILE A 14 18.777 15.360 -14.396 1.00 0.00 H new ATOM 0 HG21 ILE A 14 17.836 11.732 -14.504 1.00 0.00 H new ATOM 0 HG22 ILE A 14 19.225 11.164 -13.547 1.00 0.00 H new ATOM 0 HG23 ILE A 14 17.903 12.054 -12.755 1.00 0.00 H new ATOM 0 HD11 ILE A 14 16.722 15.015 -15.709 1.00 0.00 H new ATOM 0 HD12 ILE A 14 18.064 14.069 -16.398 1.00 0.00 H new ATOM 0 HD13 ILE A 14 16.816 13.261 -15.420 1.00 0.00 H new ATOM 208 N ASP A 15 21.893 14.858 -14.051 1.00 0.00 N ATOM 209 CA ASP A 15 22.721 15.983 -14.483 1.00 0.00 C ATOM 210 C ASP A 15 22.656 16.113 -16.002 1.00 0.00 C ATOM 211 O ASP A 15 23.309 15.368 -16.733 1.00 0.00 O ATOM 212 CB ASP A 15 24.170 15.817 -14.006 1.00 0.00 C ATOM 213 CG ASP A 15 25.099 16.899 -14.589 1.00 0.00 C ATOM 214 OD1 ASP A 15 24.619 17.986 -14.985 1.00 0.00 O ATOM 215 OD2 ASP A 15 26.329 16.669 -14.616 1.00 0.00 O ATOM 0 H ASP A 15 22.060 14.007 -14.588 1.00 0.00 H new ATOM 0 HA ASP A 15 22.334 16.898 -14.034 1.00 0.00 H new ATOM 0 HB2 ASP A 15 24.200 15.862 -12.917 1.00 0.00 H new ATOM 0 HB3 ASP A 15 24.536 14.832 -14.295 1.00 0.00 H new ATOM 220 N SER A 16 21.844 17.055 -16.477 1.00 0.00 N ATOM 221 CA SER A 16 21.567 17.304 -17.886 1.00 0.00 C ATOM 222 C SER A 16 22.806 17.683 -18.714 1.00 0.00 C ATOM 223 O SER A 16 22.729 17.692 -19.942 1.00 0.00 O ATOM 224 CB SER A 16 20.522 18.423 -17.969 1.00 0.00 C ATOM 225 OG SER A 16 19.486 18.212 -17.024 1.00 0.00 O ATOM 0 H SER A 16 21.340 17.693 -15.861 1.00 0.00 H new ATOM 0 HA SER A 16 21.203 16.372 -18.319 1.00 0.00 H new ATOM 0 HB2 SER A 16 20.998 19.386 -17.785 1.00 0.00 H new ATOM 0 HB3 SER A 16 20.102 18.461 -18.974 1.00 0.00 H new ATOM 0 HG SER A 16 19.119 19.076 -16.742 1.00 0.00 H new ATOM 231 N ASP A 17 23.940 18.013 -18.083 1.00 0.00 N ATOM 232 CA ASP A 17 25.192 18.274 -18.797 1.00 0.00 C ATOM 233 C ASP A 17 25.861 16.975 -19.280 1.00 0.00 C ATOM 234 O ASP A 17 26.771 17.025 -20.109 1.00 0.00 O ATOM 235 CB ASP A 17 26.152 19.058 -17.892 1.00 0.00 C ATOM 236 CG ASP A 17 27.434 19.482 -18.632 1.00 0.00 C ATOM 237 OD1 ASP A 17 27.353 20.304 -19.571 1.00 0.00 O ATOM 238 OD2 ASP A 17 28.539 19.042 -18.239 1.00 0.00 O ATOM 0 H ASP A 17 24.014 18.106 -17.070 1.00 0.00 H new ATOM 0 HA ASP A 17 24.954 18.866 -19.681 1.00 0.00 H new ATOM 0 HB2 ASP A 17 25.646 19.944 -17.509 1.00 0.00 H new ATOM 0 HB3 ASP A 17 26.418 18.446 -17.030 1.00 0.00 H new ATOM 243 N GLY A 18 25.423 15.812 -18.779 1.00 0.00 N ATOM 244 CA GLY A 18 26.057 14.522 -19.015 1.00 0.00 C ATOM 245 C GLY A 18 25.171 13.556 -19.804 1.00 0.00 C ATOM 246 O GLY A 18 24.023 13.856 -20.142 1.00 0.00 O ATOM 0 H GLY A 18 24.597 15.748 -18.184 1.00 0.00 H new ATOM 0 HA2 GLY A 18 26.990 14.676 -19.557 1.00 0.00 H new ATOM 0 HA3 GLY A 18 26.315 14.070 -18.058 1.00 0.00 H new ATOM 250 N VAL A 19 25.736 12.383 -20.091 1.00 0.00 N ATOM 251 CA VAL A 19 25.132 11.295 -20.853 1.00 0.00 C ATOM 252 C VAL A 19 25.517 10.025 -20.093 1.00 0.00 C ATOM 253 O VAL A 19 26.703 9.812 -19.823 1.00 0.00 O ATOM 254 CB VAL A 19 25.679 11.309 -22.301 1.00 0.00 C ATOM 255 CG1 VAL A 19 25.175 10.112 -23.116 1.00 0.00 C ATOM 256 CG2 VAL A 19 25.306 12.604 -23.043 1.00 0.00 C ATOM 0 H VAL A 19 26.680 12.156 -19.779 1.00 0.00 H new ATOM 0 HA VAL A 19 24.049 11.376 -20.942 1.00 0.00 H new ATOM 0 HB VAL A 19 26.763 11.248 -22.209 1.00 0.00 H new ATOM 0 HG11 VAL A 19 25.583 10.161 -24.126 1.00 0.00 H new ATOM 0 HG12 VAL A 19 25.497 9.186 -22.639 1.00 0.00 H new ATOM 0 HG13 VAL A 19 24.086 10.136 -23.163 1.00 0.00 H new ATOM 0 HG21 VAL A 19 25.709 12.572 -24.055 1.00 0.00 H new ATOM 0 HG22 VAL A 19 24.221 12.698 -23.088 1.00 0.00 H new ATOM 0 HG23 VAL A 19 25.723 13.460 -22.513 1.00 0.00 H new ATOM 266 N PHE A 20 24.532 9.220 -19.688 1.00 0.00 N ATOM 267 CA PHE A 20 24.728 8.094 -18.776 1.00 0.00 C ATOM 268 C PHE A 20 23.472 7.230 -18.727 1.00 0.00 C ATOM 269 O PHE A 20 22.407 7.620 -19.212 1.00 0.00 O ATOM 270 CB PHE A 20 25.076 8.605 -17.363 1.00 0.00 C ATOM 271 CG PHE A 20 24.287 9.820 -16.902 1.00 0.00 C ATOM 272 CD1 PHE A 20 22.904 9.727 -16.652 1.00 0.00 C ATOM 273 CD2 PHE A 20 24.931 11.068 -16.794 1.00 0.00 C ATOM 274 CE1 PHE A 20 22.165 10.877 -16.333 1.00 0.00 C ATOM 275 CE2 PHE A 20 24.189 12.218 -16.473 1.00 0.00 C ATOM 276 CZ PHE A 20 22.803 12.123 -16.263 1.00 0.00 C ATOM 0 H PHE A 20 23.564 9.334 -19.989 1.00 0.00 H new ATOM 0 HA PHE A 20 25.557 7.488 -19.143 1.00 0.00 H new ATOM 0 HB2 PHE A 20 24.915 7.795 -16.651 1.00 0.00 H new ATOM 0 HB3 PHE A 20 26.138 8.849 -17.333 1.00 0.00 H new ATOM 0 HD1 PHE A 20 22.411 8.768 -16.706 1.00 0.00 H new ATOM 0 HD2 PHE A 20 25.996 11.141 -16.958 1.00 0.00 H new ATOM 0 HE1 PHE A 20 21.105 10.802 -16.141 1.00 0.00 H new ATOM 0 HE2 PHE A 20 24.684 13.174 -16.388 1.00 0.00 H new ATOM 0 HZ PHE A 20 22.228 13.012 -16.047 1.00 0.00 H new ATOM 286 N LYS A 21 23.583 6.047 -18.122 1.00 0.00 N ATOM 287 CA LYS A 21 22.441 5.169 -17.910 1.00 0.00 C ATOM 288 C LYS A 21 21.598 5.675 -16.740 1.00 0.00 C ATOM 289 O LYS A 21 22.076 6.439 -15.898 1.00 0.00 O ATOM 290 CB LYS A 21 22.903 3.724 -17.685 1.00 0.00 C ATOM 291 CG LYS A 21 23.585 3.136 -18.930 1.00 0.00 C ATOM 292 CD LYS A 21 24.033 1.695 -18.667 1.00 0.00 C ATOM 293 CE LYS A 21 24.812 1.148 -19.870 1.00 0.00 C ATOM 294 NZ LYS A 21 25.360 -0.208 -19.617 1.00 0.00 N ATOM 0 H LYS A 21 24.464 5.675 -17.768 1.00 0.00 H new ATOM 0 HA LYS A 21 21.818 5.178 -18.804 1.00 0.00 H new ATOM 0 HB2 LYS A 21 23.595 3.692 -16.844 1.00 0.00 H new ATOM 0 HB3 LYS A 21 22.045 3.107 -17.416 1.00 0.00 H new ATOM 0 HG2 LYS A 21 22.896 3.160 -19.775 1.00 0.00 H new ATOM 0 HG3 LYS A 21 24.446 3.747 -19.203 1.00 0.00 H new ATOM 0 HD2 LYS A 21 24.658 1.659 -17.775 1.00 0.00 H new ATOM 0 HD3 LYS A 21 23.163 1.067 -18.473 1.00 0.00 H new ATOM 0 HE2 LYS A 21 24.157 1.116 -20.740 1.00 0.00 H new ATOM 0 HE3 LYS A 21 25.629 1.828 -20.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 26.102 -0.419 -20.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 25.765 -0.246 -18.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 24.598 -0.911 -19.699 1.00 0.00 H new ATOM 308 N TYR A 22 20.345 5.233 -16.681 1.00 0.00 N ATOM 309 CA TYR A 22 19.351 5.687 -15.721 1.00 0.00 C ATOM 310 C TYR A 22 18.475 4.499 -15.303 1.00 0.00 C ATOM 311 O TYR A 22 18.491 3.445 -15.947 1.00 0.00 O ATOM 312 CB TYR A 22 18.558 6.864 -16.333 1.00 0.00 C ATOM 313 CG TYR A 22 17.066 6.655 -16.513 1.00 0.00 C ATOM 314 CD1 TYR A 22 16.600 5.650 -17.378 1.00 0.00 C ATOM 315 CD2 TYR A 22 16.146 7.428 -15.781 1.00 0.00 C ATOM 316 CE1 TYR A 22 15.228 5.396 -17.503 1.00 0.00 C ATOM 317 CE2 TYR A 22 14.767 7.211 -15.939 1.00 0.00 C ATOM 318 CZ TYR A 22 14.300 6.201 -16.807 1.00 0.00 C ATOM 319 OH TYR A 22 12.966 6.018 -17.000 1.00 0.00 O ATOM 0 H TYR A 22 19.985 4.526 -17.322 1.00 0.00 H new ATOM 0 HA TYR A 22 19.817 6.065 -14.811 1.00 0.00 H new ATOM 0 HB2 TYR A 22 18.706 7.740 -15.701 1.00 0.00 H new ATOM 0 HB3 TYR A 22 18.990 7.097 -17.306 1.00 0.00 H new ATOM 0 HD1 TYR A 22 17.306 5.068 -17.952 1.00 0.00 H new ATOM 0 HD2 TYR A 22 16.499 8.187 -15.099 1.00 0.00 H new ATOM 0 HE1 TYR A 22 14.881 4.587 -18.129 1.00 0.00 H new ATOM 0 HE2 TYR A 22 14.061 7.820 -15.394 1.00 0.00 H new ATOM 0 HH TYR A 22 12.486 6.838 -16.762 1.00 0.00 H new ATOM 329 N VAL A 23 17.689 4.670 -14.242 1.00 0.00 N ATOM 330 CA VAL A 23 16.713 3.686 -13.803 1.00 0.00 C ATOM 331 C VAL A 23 15.502 4.433 -13.236 1.00 0.00 C ATOM 332 O VAL A 23 15.614 5.577 -12.772 1.00 0.00 O ATOM 333 CB VAL A 23 17.396 2.698 -12.824 1.00 0.00 C ATOM 334 CG1 VAL A 23 17.668 3.311 -11.446 1.00 0.00 C ATOM 335 CG2 VAL A 23 16.620 1.387 -12.653 1.00 0.00 C ATOM 0 H VAL A 23 17.715 5.507 -13.659 1.00 0.00 H new ATOM 0 HA VAL A 23 16.338 3.071 -14.621 1.00 0.00 H new ATOM 0 HB VAL A 23 18.352 2.471 -13.295 1.00 0.00 H new ATOM 0 HG11 VAL A 23 18.147 2.570 -10.806 1.00 0.00 H new ATOM 0 HG12 VAL A 23 18.324 4.175 -11.555 1.00 0.00 H new ATOM 0 HG13 VAL A 23 16.727 3.625 -10.995 1.00 0.00 H new ATOM 0 HG21 VAL A 23 17.150 0.739 -11.956 1.00 0.00 H new ATOM 0 HG22 VAL A 23 15.625 1.601 -12.264 1.00 0.00 H new ATOM 0 HG23 VAL A 23 16.533 0.887 -13.618 1.00 0.00 H new ATOM 345 N LEU A 24 14.348 3.766 -13.257 1.00 0.00 N ATOM 346 CA LEU A 24 13.079 4.270 -12.758 1.00 0.00 C ATOM 347 C LEU A 24 12.679 3.316 -11.646 1.00 0.00 C ATOM 348 O LEU A 24 12.509 2.126 -11.920 1.00 0.00 O ATOM 349 CB LEU A 24 12.060 4.253 -13.909 1.00 0.00 C ATOM 350 CG LEU A 24 10.648 4.751 -13.546 1.00 0.00 C ATOM 351 CD1 LEU A 24 10.658 6.223 -13.122 1.00 0.00 C ATOM 352 CD2 LEU A 24 9.742 4.581 -14.768 1.00 0.00 C ATOM 0 H LEU A 24 14.274 2.823 -13.638 1.00 0.00 H new ATOM 0 HA LEU A 24 13.134 5.293 -12.385 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.446 4.867 -14.723 1.00 0.00 H new ATOM 0 HB3 LEU A 24 11.982 3.234 -14.288 1.00 0.00 H new ATOM 0 HG LEU A 24 10.280 4.165 -12.704 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.644 6.537 -12.874 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.300 6.346 -12.250 1.00 0.00 H new ATOM 0 HD13 LEU A 24 11.037 6.835 -13.940 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.738 4.929 -14.527 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.139 5.164 -15.599 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.704 3.528 -15.049 1.00 0.00 H new ATOM 364 N ILE A 25 12.562 3.791 -10.405 1.00 0.00 N ATOM 365 CA ILE A 25 12.314 2.917 -9.260 1.00 0.00 C ATOM 366 C ILE A 25 11.119 3.434 -8.467 1.00 0.00 C ATOM 367 O ILE A 25 11.024 4.620 -8.161 1.00 0.00 O ATOM 368 CB ILE A 25 13.620 2.587 -8.474 1.00 0.00 C ATOM 369 CG1 ILE A 25 13.431 2.139 -7.011 1.00 0.00 C ATOM 370 CG2 ILE A 25 14.798 3.578 -8.572 1.00 0.00 C ATOM 371 CD1 ILE A 25 13.335 3.256 -5.970 1.00 0.00 C ATOM 0 H ILE A 25 12.636 4.780 -10.168 1.00 0.00 H new ATOM 0 HA ILE A 25 12.008 1.924 -9.590 1.00 0.00 H new ATOM 0 HB ILE A 25 13.922 1.720 -9.061 1.00 0.00 H new ATOM 0 HG12 ILE A 25 12.525 1.536 -6.952 1.00 0.00 H new ATOM 0 HG13 ILE A 25 14.264 1.490 -6.741 1.00 0.00 H new ATOM 0 HG21 ILE A 25 15.632 3.212 -7.973 1.00 0.00 H new ATOM 0 HG22 ILE A 25 15.111 3.669 -9.612 1.00 0.00 H new ATOM 0 HG23 ILE A 25 14.485 4.554 -8.200 1.00 0.00 H new ATOM 0 HD11 ILE A 25 13.203 2.820 -4.980 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.250 3.849 -5.987 1.00 0.00 H new ATOM 0 HD13 ILE A 25 12.483 3.896 -6.201 1.00 0.00 H new ATOM 383 N ARG A 26 10.173 2.533 -8.207 1.00 0.00 N ATOM 384 CA ARG A 26 9.020 2.743 -7.349 1.00 0.00 C ATOM 385 C ARG A 26 9.481 2.665 -5.904 1.00 0.00 C ATOM 386 O ARG A 26 10.350 1.856 -5.580 1.00 0.00 O ATOM 387 CB ARG A 26 7.976 1.660 -7.670 1.00 0.00 C ATOM 388 CG ARG A 26 6.709 1.744 -6.797 1.00 0.00 C ATOM 389 CD ARG A 26 5.514 1.039 -7.455 1.00 0.00 C ATOM 390 NE ARG A 26 5.044 1.812 -8.614 1.00 0.00 N ATOM 391 CZ ARG A 26 4.217 1.425 -9.586 1.00 0.00 C ATOM 392 NH1 ARG A 26 3.651 0.220 -9.560 1.00 0.00 N ATOM 393 NH2 ARG A 26 3.967 2.262 -10.586 1.00 0.00 N ATOM 0 H ARG A 26 10.195 1.596 -8.610 1.00 0.00 H new ATOM 0 HA ARG A 26 8.566 3.720 -7.514 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.690 1.743 -8.719 1.00 0.00 H new ATOM 0 HB3 ARG A 26 8.432 0.678 -7.540 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.907 1.292 -5.825 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.460 2.790 -6.618 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.802 0.036 -7.770 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.706 0.926 -6.732 1.00 0.00 H new ATOM 0 HE ARG A 26 5.396 2.767 -8.684 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.848 -0.420 -8.790 1.00 0.00 H new ATOM 0 HH12 ARG A 26 3.020 -0.063 -10.310 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.405 3.183 -10.602 1.00 0.00 H new ATOM 0 HH22 ARG A 26 3.337 1.984 -11.339 1.00 0.00 H new ATOM 407 N VAL A 27 8.842 3.441 -5.041 1.00 0.00 N ATOM 408 CA VAL A 27 9.039 3.477 -3.606 1.00 0.00 C ATOM 409 C VAL A 27 7.639 3.344 -3.008 1.00 0.00 C ATOM 410 O VAL A 27 6.701 3.962 -3.519 1.00 0.00 O ATOM 411 CB VAL A 27 9.693 4.818 -3.201 1.00 0.00 C ATOM 412 CG1 VAL A 27 10.104 4.796 -1.724 1.00 0.00 C ATOM 413 CG2 VAL A 27 10.935 5.179 -4.031 1.00 0.00 C ATOM 0 H VAL A 27 8.128 4.102 -5.347 1.00 0.00 H new ATOM 0 HA VAL A 27 9.699 2.685 -3.252 1.00 0.00 H new ATOM 0 HB VAL A 27 8.930 5.573 -3.389 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.562 5.749 -1.460 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.223 4.632 -1.104 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.820 3.991 -1.557 1.00 0.00 H new ATOM 0 HG21 VAL A 27 11.337 6.132 -3.688 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.690 4.402 -3.912 1.00 0.00 H new ATOM 0 HG23 VAL A 27 10.659 5.259 -5.083 1.00 0.00 H new ATOM 423 N HIS A 28 7.499 2.565 -1.937 1.00 0.00 N ATOM 424 CA HIS A 28 6.259 2.401 -1.184 1.00 0.00 C ATOM 425 C HIS A 28 6.432 3.104 0.166 1.00 0.00 C ATOM 426 O HIS A 28 7.535 3.080 0.726 1.00 0.00 O ATOM 427 CB HIS A 28 5.983 0.904 -0.983 1.00 0.00 C ATOM 428 CG HIS A 28 5.980 0.096 -2.262 1.00 0.00 C ATOM 429 ND1 HIS A 28 5.040 0.146 -3.265 1.00 0.00 N ATOM 430 CD2 HIS A 28 6.914 -0.831 -2.644 1.00 0.00 C ATOM 431 CE1 HIS A 28 5.391 -0.732 -4.217 1.00 0.00 C ATOM 432 NE2 HIS A 28 6.537 -1.355 -3.887 1.00 0.00 N ATOM 0 H HIS A 28 8.269 2.014 -1.559 1.00 0.00 H new ATOM 0 HA HIS A 28 5.415 2.836 -1.719 1.00 0.00 H new ATOM 0 HB2 HIS A 28 6.736 0.495 -0.310 1.00 0.00 H new ATOM 0 HB3 HIS A 28 5.018 0.787 -0.490 1.00 0.00 H new ATOM 0 HD2 HIS A 28 7.793 -1.110 -2.082 1.00 0.00 H new ATOM 0 HE1 HIS A 28 4.831 -0.913 -5.123 1.00 0.00 H new ATOM 0 HE2 HIS A 28 7.030 -2.063 -4.430 1.00 0.00 H new ATOM 440 N SER A 29 5.382 3.740 0.695 1.00 0.00 N ATOM 441 CA SER A 29 5.470 4.505 1.935 1.00 0.00 C ATOM 442 C SER A 29 5.715 3.577 3.132 1.00 0.00 C ATOM 443 O SER A 29 4.804 2.876 3.579 1.00 0.00 O ATOM 444 CB SER A 29 4.224 5.383 2.137 1.00 0.00 C ATOM 445 OG SER A 29 3.017 4.702 1.877 1.00 0.00 O ATOM 0 H SER A 29 4.452 3.737 0.275 1.00 0.00 H new ATOM 0 HA SER A 29 6.325 5.176 1.860 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.211 5.754 3.162 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.291 6.253 1.484 1.00 0.00 H new ATOM 0 HG SER A 29 2.708 4.260 2.695 1.00 0.00 H new ATOM 451 N ALA A 30 6.943 3.580 3.658 1.00 0.00 N ATOM 452 CA ALA A 30 7.306 2.941 4.918 1.00 0.00 C ATOM 453 C ALA A 30 8.479 3.607 5.688 1.00 0.00 C ATOM 454 O ALA A 30 9.017 2.921 6.561 1.00 0.00 O ATOM 455 CB ALA A 30 7.558 1.440 4.668 1.00 0.00 C ATOM 0 H ALA A 30 7.731 4.041 3.203 1.00 0.00 H new ATOM 0 HA ALA A 30 6.458 3.076 5.589 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.830 0.956 5.606 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.653 0.980 4.271 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.370 1.322 3.950 1.00 0.00 H new ATOM 461 N PRO A 31 8.929 4.871 5.453 1.00 0.00 N ATOM 462 CA PRO A 31 9.947 5.488 6.307 1.00 0.00 C ATOM 463 C PRO A 31 9.728 5.275 7.810 1.00 0.00 C ATOM 464 O PRO A 31 8.610 5.412 8.317 1.00 0.00 O ATOM 465 CB PRO A 31 9.965 6.975 5.963 1.00 0.00 C ATOM 466 CG PRO A 31 9.579 6.987 4.490 1.00 0.00 C ATOM 467 CD PRO A 31 8.579 5.830 4.402 1.00 0.00 C ATOM 0 HA PRO A 31 10.905 5.008 6.108 1.00 0.00 H new ATOM 0 HB2 PRO A 31 9.258 7.539 6.571 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.948 7.416 6.127 1.00 0.00 H new ATOM 0 HG2 PRO A 31 9.130 7.935 4.196 1.00 0.00 H new ATOM 0 HG3 PRO A 31 10.442 6.828 3.843 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.560 6.192 4.536 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.623 5.358 3.421 1.00 0.00 H new ATOM 475 N ARG A 32 10.820 4.945 8.514 1.00 0.00 N ATOM 476 CA ARG A 32 10.887 4.643 9.949 1.00 0.00 C ATOM 477 C ARG A 32 9.769 3.702 10.433 1.00 0.00 C ATOM 478 O ARG A 32 9.395 3.744 11.606 1.00 0.00 O ATOM 479 CB ARG A 32 11.012 5.973 10.723 1.00 0.00 C ATOM 480 CG ARG A 32 12.445 6.534 10.656 1.00 0.00 C ATOM 481 CD ARG A 32 12.530 8.037 10.953 1.00 0.00 C ATOM 482 NE ARG A 32 11.871 8.419 12.218 1.00 0.00 N ATOM 483 CZ ARG A 32 11.421 9.646 12.507 1.00 0.00 C ATOM 484 NH1 ARG A 32 11.711 10.674 11.712 1.00 0.00 N ATOM 485 NH2 ARG A 32 10.660 9.840 13.577 1.00 0.00 N ATOM 0 H ARG A 32 11.735 4.878 8.069 1.00 0.00 H new ATOM 0 HA ARG A 32 11.780 4.054 10.158 1.00 0.00 H new ATOM 0 HB2 ARG A 32 10.315 6.702 10.310 1.00 0.00 H new ATOM 0 HB3 ARG A 32 10.730 5.817 11.764 1.00 0.00 H new ATOM 0 HG2 ARG A 32 13.071 5.995 11.368 1.00 0.00 H new ATOM 0 HG3 ARG A 32 12.855 6.344 9.664 1.00 0.00 H new ATOM 0 HD2 ARG A 32 13.578 8.334 10.993 1.00 0.00 H new ATOM 0 HD3 ARG A 32 12.073 8.589 10.132 1.00 0.00 H new ATOM 0 HE ARG A 32 11.750 7.693 12.925 1.00 0.00 H new ATOM 0 HH11 ARG A 32 12.279 10.529 10.877 1.00 0.00 H new ATOM 0 HH12 ARG A 32 11.365 11.607 11.938 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.418 9.054 14.180 1.00 0.00 H new ATOM 0 HH22 ARG A 32 10.318 10.775 13.796 1.00 0.00 H new ATOM 499 N SER A 33 9.249 2.845 9.546 1.00 0.00 N ATOM 500 CA SER A 33 8.161 1.908 9.811 1.00 0.00 C ATOM 501 C SER A 33 6.939 2.589 10.457 1.00 0.00 C ATOM 502 O SER A 33 6.235 1.971 11.260 1.00 0.00 O ATOM 503 CB SER A 33 8.701 0.712 10.616 1.00 0.00 C ATOM 504 OG SER A 33 9.874 0.176 10.016 1.00 0.00 O ATOM 0 H SER A 33 9.591 2.786 8.587 1.00 0.00 H new ATOM 0 HA SER A 33 7.783 1.526 8.863 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.922 1.027 11.636 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.936 -0.062 10.680 1.00 0.00 H new ATOM 0 HG SER A 33 10.197 -0.581 10.548 1.00 0.00 H new ATOM 510 N GLY A 34 6.686 3.865 10.129 1.00 0.00 N ATOM 511 CA GLY A 34 5.660 4.682 10.775 1.00 0.00 C ATOM 512 C GLY A 34 4.897 5.568 9.792 1.00 0.00 C ATOM 513 O GLY A 34 4.234 6.515 10.220 1.00 0.00 O ATOM 0 H GLY A 34 7.197 4.360 9.398 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.955 4.030 11.290 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.127 5.309 11.534 1.00 0.00 H new ATOM 517 N ALA A 35 4.990 5.289 8.486 1.00 0.00 N ATOM 518 CA ALA A 35 4.214 5.990 7.468 1.00 0.00 C ATOM 519 C ALA A 35 2.704 5.775 7.700 1.00 0.00 C ATOM 520 O ALA A 35 2.310 4.701 8.165 1.00 0.00 O ATOM 521 CB ALA A 35 4.629 5.493 6.080 1.00 0.00 C ATOM 0 H ALA A 35 5.607 4.569 8.110 1.00 0.00 H new ATOM 0 HA ALA A 35 4.413 7.060 7.534 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.050 6.016 5.318 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.690 5.687 5.926 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.442 4.422 6.006 1.00 0.00 H new ATOM 527 N PRO A 36 1.845 6.753 7.357 1.00 0.00 N ATOM 528 CA PRO A 36 0.409 6.688 7.634 1.00 0.00 C ATOM 529 C PRO A 36 -0.372 5.781 6.670 1.00 0.00 C ATOM 530 O PRO A 36 -1.550 5.511 6.920 1.00 0.00 O ATOM 531 CB PRO A 36 -0.073 8.140 7.534 1.00 0.00 C ATOM 532 CG PRO A 36 0.868 8.751 6.497 1.00 0.00 C ATOM 533 CD PRO A 36 2.193 8.054 6.800 1.00 0.00 C ATOM 0 HA PRO A 36 0.233 6.242 8.613 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -1.114 8.197 7.216 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -0.004 8.654 8.493 1.00 0.00 H new ATOM 0 HG2 PRO A 36 0.531 8.556 5.479 1.00 0.00 H new ATOM 0 HG3 PRO A 36 0.944 9.833 6.606 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.791 7.944 5.896 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.787 8.635 7.506 1.00 0.00 H new ATOM 541 N ALA A 37 0.237 5.336 5.566 1.00 0.00 N ATOM 542 CA ALA A 37 -0.428 4.641 4.470 1.00 0.00 C ATOM 543 C ALA A 37 0.575 3.743 3.737 1.00 0.00 C ATOM 544 O ALA A 37 1.758 3.717 4.084 1.00 0.00 O ATOM 545 CB ALA A 37 -1.016 5.696 3.520 1.00 0.00 C ATOM 0 H ALA A 37 1.238 5.456 5.410 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.229 4.006 4.849 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.519 5.199 2.691 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.732 6.314 4.061 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.214 6.325 3.133 1.00 0.00 H new ATOM 551 N ALA A 38 0.112 3.055 2.688 1.00 0.00 N ATOM 552 CA ALA A 38 0.900 2.186 1.814 1.00 0.00 C ATOM 553 C ALA A 38 0.684 2.616 0.359 1.00 0.00 C ATOM 554 O ALA A 38 0.336 1.811 -0.509 1.00 0.00 O ATOM 555 CB ALA A 38 0.553 0.717 2.089 1.00 0.00 C ATOM 0 H ALA A 38 -0.870 3.092 2.414 1.00 0.00 H new ATOM 0 HA ALA A 38 1.966 2.284 2.017 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.143 0.075 1.435 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.776 0.479 3.129 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.507 0.552 1.899 1.00 0.00 H new ATOM 561 N GLU A 39 0.826 3.919 0.121 1.00 0.00 N ATOM 562 CA GLU A 39 0.855 4.502 -1.210 1.00 0.00 C ATOM 563 C GLU A 39 2.217 4.215 -1.865 1.00 0.00 C ATOM 564 O GLU A 39 3.140 3.713 -1.212 1.00 0.00 O ATOM 565 CB GLU A 39 0.597 6.018 -1.115 1.00 0.00 C ATOM 566 CG GLU A 39 -0.786 6.383 -0.550 1.00 0.00 C ATOM 567 CD GLU A 39 -1.945 5.829 -1.401 1.00 0.00 C ATOM 568 OE1 GLU A 39 -2.155 6.307 -2.538 1.00 0.00 O ATOM 569 OE2 GLU A 39 -2.676 4.927 -0.933 1.00 0.00 O ATOM 0 H GLU A 39 0.926 4.609 0.866 1.00 0.00 H new ATOM 0 HA GLU A 39 0.074 4.059 -1.827 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.365 6.468 -0.486 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.700 6.457 -2.108 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.871 5.998 0.466 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.873 7.468 -0.488 1.00 0.00 H new ATOM 576 N SER A 40 2.357 4.563 -3.149 1.00 0.00 N ATOM 577 CA SER A 40 3.600 4.397 -3.895 1.00 0.00 C ATOM 578 C SER A 40 3.793 5.548 -4.889 1.00 0.00 C ATOM 579 O SER A 40 2.814 6.164 -5.324 1.00 0.00 O ATOM 580 CB SER A 40 3.609 3.059 -4.654 1.00 0.00 C ATOM 581 OG SER A 40 3.013 1.998 -3.923 1.00 0.00 O ATOM 0 H SER A 40 1.602 4.971 -3.700 1.00 0.00 H new ATOM 0 HA SER A 40 4.420 4.403 -3.177 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.081 3.182 -5.600 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.638 2.792 -4.895 1.00 0.00 H new ATOM 0 HG SER A 40 3.712 1.472 -3.482 1.00 0.00 H new ATOM 587 N LYS A 41 5.044 5.821 -5.267 1.00 0.00 N ATOM 588 CA LYS A 41 5.434 6.775 -6.312 1.00 0.00 C ATOM 589 C LYS A 41 6.813 6.396 -6.839 1.00 0.00 C ATOM 590 O LYS A 41 7.516 5.615 -6.199 1.00 0.00 O ATOM 591 CB LYS A 41 5.364 8.242 -5.829 1.00 0.00 C ATOM 592 CG LYS A 41 6.033 8.578 -4.485 1.00 0.00 C ATOM 593 CD LYS A 41 7.570 8.585 -4.409 1.00 0.00 C ATOM 594 CE LYS A 41 8.242 9.621 -5.316 1.00 0.00 C ATOM 595 NZ LYS A 41 7.927 11.024 -4.951 1.00 0.00 N ATOM 0 H LYS A 41 5.848 5.365 -4.836 1.00 0.00 H new ATOM 0 HA LYS A 41 4.717 6.714 -7.131 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.815 8.871 -6.596 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.313 8.525 -5.762 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.682 9.563 -4.178 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.668 7.865 -3.746 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.870 8.773 -3.378 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.940 7.594 -4.673 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.322 9.478 -5.278 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.933 9.444 -6.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.454 11.671 -5.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.907 11.191 -5.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.200 11.195 -3.962 1.00 0.00 H new ATOM 609 N GLU A 42 7.220 6.969 -7.970 1.00 0.00 N ATOM 610 CA GLU A 42 8.464 6.607 -8.637 1.00 0.00 C ATOM 611 C GLU A 42 9.470 7.738 -8.449 1.00 0.00 C ATOM 612 O GLU A 42 9.075 8.895 -8.288 1.00 0.00 O ATOM 613 CB GLU A 42 8.218 6.392 -10.142 1.00 0.00 C ATOM 614 CG GLU A 42 7.736 4.990 -10.529 1.00 0.00 C ATOM 615 CD GLU A 42 6.304 4.672 -10.076 1.00 0.00 C ATOM 616 OE1 GLU A 42 6.105 4.323 -8.895 1.00 0.00 O ATOM 617 OE2 GLU A 42 5.371 4.667 -10.910 1.00 0.00 O ATOM 0 H GLU A 42 6.693 7.699 -8.449 1.00 0.00 H new ATOM 0 HA GLU A 42 8.849 5.683 -8.206 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.480 7.119 -10.481 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.143 6.602 -10.679 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.795 4.883 -11.612 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.414 4.253 -10.099 1.00 0.00 H new ATOM 624 N ILE A 43 10.759 7.412 -8.531 1.00 0.00 N ATOM 625 CA ILE A 43 11.852 8.373 -8.527 1.00 0.00 C ATOM 626 C ILE A 43 12.787 8.062 -9.696 1.00 0.00 C ATOM 627 O ILE A 43 12.855 6.924 -10.174 1.00 0.00 O ATOM 628 CB ILE A 43 12.580 8.404 -7.161 1.00 0.00 C ATOM 629 CG1 ILE A 43 13.215 7.049 -6.774 1.00 0.00 C ATOM 630 CG2 ILE A 43 11.618 8.904 -6.072 1.00 0.00 C ATOM 631 CD1 ILE A 43 14.006 7.081 -5.459 1.00 0.00 C ATOM 0 H ILE A 43 11.077 6.445 -8.604 1.00 0.00 H new ATOM 0 HA ILE A 43 11.457 9.380 -8.664 1.00 0.00 H new ATOM 0 HB ILE A 43 13.414 9.099 -7.254 1.00 0.00 H new ATOM 0 HG12 ILE A 43 12.427 6.300 -6.693 1.00 0.00 H new ATOM 0 HG13 ILE A 43 13.879 6.728 -7.577 1.00 0.00 H new ATOM 0 HG21 ILE A 43 12.134 8.924 -5.112 1.00 0.00 H new ATOM 0 HG22 ILE A 43 11.276 9.908 -6.322 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.760 8.234 -6.009 1.00 0.00 H new ATOM 0 HD11 ILE A 43 14.419 6.092 -5.259 1.00 0.00 H new ATOM 0 HD12 ILE A 43 14.818 7.804 -5.540 1.00 0.00 H new ATOM 0 HD13 ILE A 43 13.344 7.369 -4.643 1.00 0.00 H new ATOM 643 N VAL A 44 13.508 9.090 -10.141 1.00 0.00 N ATOM 644 CA VAL A 44 14.300 9.084 -11.366 1.00 0.00 C ATOM 645 C VAL A 44 15.753 9.301 -10.958 1.00 0.00 C ATOM 646 O VAL A 44 16.059 10.318 -10.321 1.00 0.00 O ATOM 647 CB VAL A 44 13.774 10.211 -12.284 1.00 0.00 C ATOM 648 CG1 VAL A 44 14.622 10.411 -13.546 1.00 0.00 C ATOM 649 CG2 VAL A 44 12.314 9.966 -12.697 1.00 0.00 C ATOM 0 H VAL A 44 13.557 9.978 -9.641 1.00 0.00 H new ATOM 0 HA VAL A 44 14.225 8.146 -11.916 1.00 0.00 H new ATOM 0 HB VAL A 44 13.842 11.120 -11.687 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.198 11.216 -14.146 1.00 0.00 H new ATOM 0 HG12 VAL A 44 15.642 10.669 -13.262 1.00 0.00 H new ATOM 0 HG13 VAL A 44 14.630 9.490 -14.129 1.00 0.00 H new ATOM 0 HG21 VAL A 44 11.977 10.778 -13.342 1.00 0.00 H new ATOM 0 HG22 VAL A 44 12.242 9.021 -13.235 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.686 9.925 -11.807 1.00 0.00 H new ATOM 659 N ARG A 45 16.638 8.359 -11.302 1.00 0.00 N ATOM 660 CA ARG A 45 18.068 8.396 -10.983 1.00 0.00 C ATOM 661 C ARG A 45 18.839 8.088 -12.262 1.00 0.00 C ATOM 662 O ARG A 45 18.379 7.281 -13.072 1.00 0.00 O ATOM 663 CB ARG A 45 18.426 7.311 -9.942 1.00 0.00 C ATOM 664 CG ARG A 45 17.710 7.350 -8.585 1.00 0.00 C ATOM 665 CD ARG A 45 18.134 8.524 -7.687 1.00 0.00 C ATOM 666 NE ARG A 45 17.256 9.676 -7.902 1.00 0.00 N ATOM 667 CZ ARG A 45 16.391 10.204 -7.033 1.00 0.00 C ATOM 668 NH1 ARG A 45 16.452 9.969 -5.727 1.00 0.00 N ATOM 669 NH2 ARG A 45 15.422 10.965 -7.508 1.00 0.00 N ATOM 0 H ARG A 45 16.370 7.526 -11.826 1.00 0.00 H new ATOM 0 HA ARG A 45 18.320 9.377 -10.579 1.00 0.00 H new ATOM 0 HB2 ARG A 45 18.232 6.338 -10.394 1.00 0.00 H new ATOM 0 HB3 ARG A 45 19.498 7.368 -9.755 1.00 0.00 H new ATOM 0 HG2 ARG A 45 16.635 7.406 -8.755 1.00 0.00 H new ATOM 0 HG3 ARG A 45 17.901 6.415 -8.058 1.00 0.00 H new ATOM 0 HD2 ARG A 45 18.097 8.221 -6.641 1.00 0.00 H new ATOM 0 HD3 ARG A 45 19.166 8.800 -7.903 1.00 0.00 H new ATOM 0 HE ARG A 45 17.311 10.124 -8.816 1.00 0.00 H new ATOM 0 HH11 ARG A 45 17.182 9.363 -5.351 1.00 0.00 H new ATOM 0 HH12 ARG A 45 15.769 10.394 -5.100 1.00 0.00 H new ATOM 0 HH21 ARG A 45 15.351 11.134 -8.511 1.00 0.00 H new ATOM 0 HH22 ARG A 45 14.744 11.384 -6.871 1.00 0.00 H new ATOM 683 N GLY A 46 20.034 8.649 -12.413 1.00 0.00 N ATOM 684 CA GLY A 46 20.953 8.291 -13.480 1.00 0.00 C ATOM 685 C GLY A 46 22.231 9.094 -13.322 1.00 0.00 C ATOM 686 O GLY A 46 22.160 10.307 -13.113 1.00 0.00 O ATOM 0 H GLY A 46 20.393 9.372 -11.790 1.00 0.00 H new ATOM 0 HA2 GLY A 46 21.172 7.224 -13.446 1.00 0.00 H new ATOM 0 HA3 GLY A 46 20.500 8.492 -14.451 1.00 0.00 H new ATOM 690 N TYR A 47 23.381 8.419 -13.393 1.00 0.00 N ATOM 691 CA TYR A 47 24.695 9.031 -13.202 1.00 0.00 C ATOM 692 C TYR A 47 25.731 8.195 -13.945 1.00 0.00 C ATOM 693 O TYR A 47 25.563 6.981 -14.080 1.00 0.00 O ATOM 694 CB TYR A 47 25.095 9.061 -11.714 1.00 0.00 C ATOM 695 CG TYR A 47 24.019 9.459 -10.721 1.00 0.00 C ATOM 696 CD1 TYR A 47 23.170 8.464 -10.207 1.00 0.00 C ATOM 697 CD2 TYR A 47 23.889 10.790 -10.280 1.00 0.00 C ATOM 698 CE1 TYR A 47 22.205 8.779 -9.239 1.00 0.00 C ATOM 699 CE2 TYR A 47 22.923 11.117 -9.310 1.00 0.00 C ATOM 700 CZ TYR A 47 22.085 10.107 -8.776 1.00 0.00 C ATOM 701 OH TYR A 47 21.184 10.384 -7.798 1.00 0.00 O ATOM 0 H TYR A 47 23.424 7.419 -13.587 1.00 0.00 H new ATOM 0 HA TYR A 47 24.651 10.054 -13.577 1.00 0.00 H new ATOM 0 HB2 TYR A 47 25.459 8.071 -11.441 1.00 0.00 H new ATOM 0 HB3 TYR A 47 25.932 9.750 -11.602 1.00 0.00 H new ATOM 0 HD1 TYR A 47 23.261 7.448 -10.561 1.00 0.00 H new ATOM 0 HD2 TYR A 47 24.530 11.559 -10.686 1.00 0.00 H new ATOM 0 HE1 TYR A 47 21.556 8.008 -8.849 1.00 0.00 H new ATOM 0 HE2 TYR A 47 22.821 12.138 -8.973 1.00 0.00 H new ATOM 0 HH TYR A 47 21.419 11.233 -7.368 1.00 0.00 H new ATOM 711 N LYS A 48 26.835 8.817 -14.372 1.00 0.00 N ATOM 712 CA LYS A 48 27.892 8.133 -15.120 1.00 0.00 C ATOM 713 C LYS A 48 28.530 7.001 -14.312 1.00 0.00 C ATOM 714 O LYS A 48 28.939 6.002 -14.904 1.00 0.00 O ATOM 715 CB LYS A 48 28.926 9.170 -15.597 1.00 0.00 C ATOM 716 CG LYS A 48 29.906 8.597 -16.633 1.00 0.00 C ATOM 717 CD LYS A 48 30.833 9.695 -17.178 1.00 0.00 C ATOM 718 CE LYS A 48 31.776 9.180 -18.278 1.00 0.00 C ATOM 719 NZ LYS A 48 32.798 8.226 -17.774 1.00 0.00 N ATOM 0 H LYS A 48 27.020 9.807 -14.209 1.00 0.00 H new ATOM 0 HA LYS A 48 27.453 7.653 -15.994 1.00 0.00 H new ATOM 0 HB2 LYS A 48 28.405 10.024 -16.029 1.00 0.00 H new ATOM 0 HB3 LYS A 48 29.486 9.540 -14.738 1.00 0.00 H new ATOM 0 HG2 LYS A 48 30.502 7.806 -16.177 1.00 0.00 H new ATOM 0 HG3 LYS A 48 29.350 8.145 -17.454 1.00 0.00 H new ATOM 0 HD2 LYS A 48 30.229 10.511 -17.575 1.00 0.00 H new ATOM 0 HD3 LYS A 48 31.425 10.105 -16.360 1.00 0.00 H new ATOM 0 HE2 LYS A 48 31.186 8.693 -19.055 1.00 0.00 H new ATOM 0 HE3 LYS A 48 32.278 10.028 -18.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 33.402 7.916 -18.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 33.383 8.693 -17.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 32.325 7.400 -17.354 1.00 0.00 H new ATOM 733 N TRP A 49 28.606 7.125 -12.980 1.00 0.00 N ATOM 734 CA TRP A 49 29.194 6.081 -12.146 1.00 0.00 C ATOM 735 C TRP A 49 28.389 4.775 -12.184 1.00 0.00 C ATOM 736 O TRP A 49 28.980 3.711 -11.989 1.00 0.00 O ATOM 737 CB TRP A 49 29.451 6.585 -10.714 1.00 0.00 C ATOM 738 CG TRP A 49 28.360 7.322 -9.987 1.00 0.00 C ATOM 739 CD1 TRP A 49 28.377 8.644 -9.698 1.00 0.00 C ATOM 740 CD2 TRP A 49 27.132 6.811 -9.375 1.00 0.00 C ATOM 741 NE1 TRP A 49 27.267 8.980 -8.949 1.00 0.00 N ATOM 742 CE2 TRP A 49 26.465 7.886 -8.711 1.00 0.00 C ATOM 743 CE3 TRP A 49 26.515 5.546 -9.302 1.00 0.00 C ATOM 744 CZ2 TRP A 49 25.257 7.709 -8.018 1.00 0.00 C ATOM 745 CZ3 TRP A 49 25.272 5.372 -8.669 1.00 0.00 C ATOM 746 CH2 TRP A 49 24.636 6.450 -8.030 1.00 0.00 C ATOM 0 H TRP A 49 28.268 7.937 -12.463 1.00 0.00 H new ATOM 0 HA TRP A 49 30.166 5.836 -12.573 1.00 0.00 H new ATOM 0 HB2 TRP A 49 29.724 5.722 -10.107 1.00 0.00 H new ATOM 0 HB3 TRP A 49 30.322 7.239 -10.748 1.00 0.00 H new ATOM 0 HD1 TRP A 49 29.147 9.335 -10.008 1.00 0.00 H new ATOM 0 HE1 TRP A 49 27.066 9.922 -8.613 1.00 0.00 H new ATOM 0 HE3 TRP A 49 27.008 4.692 -9.742 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 24.810 8.533 -7.481 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 24.801 4.400 -8.674 1.00 0.00 H new ATOM 0 HH2 TRP A 49 23.677 6.311 -7.552 1.00 0.00 H new ATOM 757 N ALA A 50 27.078 4.812 -12.465 1.00 0.00 N ATOM 758 CA ALA A 50 26.293 3.606 -12.663 1.00 0.00 C ATOM 759 C ALA A 50 26.441 3.148 -14.112 1.00 0.00 C ATOM 760 O ALA A 50 25.646 3.505 -14.982 1.00 0.00 O ATOM 761 CB ALA A 50 24.834 3.821 -12.278 1.00 0.00 C ATOM 0 H ALA A 50 26.545 5.676 -12.559 1.00 0.00 H new ATOM 0 HA ALA A 50 26.667 2.820 -12.007 1.00 0.00 H new ATOM 0 HB1 ALA A 50 24.276 2.899 -12.439 1.00 0.00 H new ATOM 0 HB2 ALA A 50 24.773 4.104 -11.227 1.00 0.00 H new ATOM 0 HB3 ALA A 50 24.409 4.614 -12.893 1.00 0.00 H new ATOM 767 N GLU A 51 27.465 2.336 -14.368 1.00 0.00 N ATOM 768 CA GLU A 51 27.701 1.730 -15.677 1.00 0.00 C ATOM 769 C GLU A 51 26.636 0.675 -16.030 1.00 0.00 C ATOM 770 O GLU A 51 26.647 0.146 -17.143 1.00 0.00 O ATOM 771 CB GLU A 51 29.108 1.103 -15.717 1.00 0.00 C ATOM 772 CG GLU A 51 30.219 2.144 -15.525 1.00 0.00 C ATOM 773 CD GLU A 51 31.614 1.518 -15.695 1.00 0.00 C ATOM 774 OE1 GLU A 51 32.198 1.032 -14.700 1.00 0.00 O ATOM 775 OE2 GLU A 51 32.156 1.521 -16.825 1.00 0.00 O ATOM 0 H GLU A 51 28.160 2.078 -13.667 1.00 0.00 H new ATOM 0 HA GLU A 51 27.631 2.520 -16.424 1.00 0.00 H new ATOM 0 HB2 GLU A 51 29.187 0.344 -14.939 1.00 0.00 H new ATOM 0 HB3 GLU A 51 29.250 0.596 -16.672 1.00 0.00 H new ATOM 0 HG2 GLU A 51 30.091 2.951 -16.246 1.00 0.00 H new ATOM 0 HG3 GLU A 51 30.136 2.587 -14.533 1.00 0.00 H new ATOM 782 N TYR A 52 25.719 0.348 -15.112 1.00 0.00 N ATOM 783 CA TYR A 52 24.626 -0.597 -15.304 1.00 0.00 C ATOM 784 C TYR A 52 23.450 -0.157 -14.428 1.00 0.00 C ATOM 785 O TYR A 52 23.656 0.386 -13.340 1.00 0.00 O ATOM 786 CB TYR A 52 25.057 -2.043 -14.991 1.00 0.00 C ATOM 787 CG TYR A 52 26.148 -2.225 -13.950 1.00 0.00 C ATOM 788 CD1 TYR A 52 27.492 -2.036 -14.320 1.00 0.00 C ATOM 789 CD2 TYR A 52 25.832 -2.602 -12.633 1.00 0.00 C ATOM 790 CE1 TYR A 52 28.522 -2.214 -13.379 1.00 0.00 C ATOM 791 CE2 TYR A 52 26.854 -2.791 -11.686 1.00 0.00 C ATOM 792 CZ TYR A 52 28.206 -2.595 -12.054 1.00 0.00 C ATOM 793 OH TYR A 52 29.188 -2.778 -11.127 1.00 0.00 O ATOM 0 H TYR A 52 25.724 0.755 -14.177 1.00 0.00 H new ATOM 0 HA TYR A 52 24.324 -0.594 -16.351 1.00 0.00 H new ATOM 0 HB2 TYR A 52 24.177 -2.595 -14.660 1.00 0.00 H new ATOM 0 HB3 TYR A 52 25.393 -2.505 -15.919 1.00 0.00 H new ATOM 0 HD1 TYR A 52 27.735 -1.752 -15.333 1.00 0.00 H new ATOM 0 HD2 TYR A 52 24.801 -2.747 -12.348 1.00 0.00 H new ATOM 0 HE1 TYR A 52 29.551 -2.060 -13.667 1.00 0.00 H new ATOM 0 HE2 TYR A 52 26.607 -3.086 -10.677 1.00 0.00 H new ATOM 0 HH TYR A 52 28.786 -3.037 -10.271 1.00 0.00 H new ATOM 803 N HIS A 53 22.219 -0.413 -14.884 1.00 0.00 N ATOM 804 CA HIS A 53 20.989 0.028 -14.212 1.00 0.00 C ATOM 805 C HIS A 53 20.880 -0.560 -12.801 1.00 0.00 C ATOM 806 O HIS A 53 20.383 0.093 -11.883 1.00 0.00 O ATOM 807 CB HIS A 53 19.757 -0.380 -15.043 1.00 0.00 C ATOM 808 CG HIS A 53 19.931 -0.220 -16.534 1.00 0.00 C ATOM 809 ND1 HIS A 53 19.941 -1.236 -17.464 1.00 0.00 N ATOM 810 CD2 HIS A 53 20.189 0.942 -17.207 1.00 0.00 C ATOM 811 CE1 HIS A 53 20.191 -0.695 -18.667 1.00 0.00 C ATOM 812 NE2 HIS A 53 20.362 0.633 -18.560 1.00 0.00 N ATOM 0 H HIS A 53 22.045 -0.939 -15.741 1.00 0.00 H new ATOM 0 HA HIS A 53 21.027 1.114 -14.125 1.00 0.00 H new ATOM 0 HB2 HIS A 53 19.516 -1.421 -14.827 1.00 0.00 H new ATOM 0 HB3 HIS A 53 18.903 0.217 -14.723 1.00 0.00 H new ATOM 0 HD2 HIS A 53 20.249 1.928 -16.770 1.00 0.00 H new ATOM 0 HE1 HIS A 53 20.247 -1.250 -19.592 1.00 0.00 H new ATOM 0 HE2 HIS A 53 20.575 1.285 -19.314 1.00 0.00 H new ATOM 820 N ALA A 54 21.371 -1.791 -12.622 1.00 0.00 N ATOM 821 CA ALA A 54 21.380 -2.454 -11.325 1.00 0.00 C ATOM 822 C ALA A 54 22.194 -1.680 -10.285 1.00 0.00 C ATOM 823 O ALA A 54 21.886 -1.784 -9.100 1.00 0.00 O ATOM 824 CB ALA A 54 21.899 -3.889 -11.475 1.00 0.00 C ATOM 0 H ALA A 54 21.772 -2.351 -13.375 1.00 0.00 H new ATOM 0 HA ALA A 54 20.354 -2.484 -10.958 1.00 0.00 H new ATOM 0 HB1 ALA A 54 21.903 -4.378 -10.501 1.00 0.00 H new ATOM 0 HB2 ALA A 54 21.251 -4.441 -12.156 1.00 0.00 H new ATOM 0 HB3 ALA A 54 22.913 -3.869 -11.875 1.00 0.00 H new ATOM 830 N ASP A 55 23.204 -0.899 -10.693 1.00 0.00 N ATOM 831 CA ASP A 55 24.045 -0.176 -9.740 1.00 0.00 C ATOM 832 C ASP A 55 23.249 0.933 -9.054 1.00 0.00 C ATOM 833 O ASP A 55 23.233 1.016 -7.826 1.00 0.00 O ATOM 834 CB ASP A 55 25.272 0.436 -10.423 1.00 0.00 C ATOM 835 CG ASP A 55 26.276 0.914 -9.364 1.00 0.00 C ATOM 836 OD1 ASP A 55 26.933 0.062 -8.724 1.00 0.00 O ATOM 837 OD2 ASP A 55 26.423 2.139 -9.183 1.00 0.00 O ATOM 0 H ASP A 55 23.454 -0.755 -11.671 1.00 0.00 H new ATOM 0 HA ASP A 55 24.383 -0.899 -8.997 1.00 0.00 H new ATOM 0 HB2 ASP A 55 25.741 -0.301 -11.075 1.00 0.00 H new ATOM 0 HB3 ASP A 55 24.969 1.272 -11.053 1.00 0.00 H new ATOM 842 N ILE A 56 22.541 1.752 -9.845 1.00 0.00 N ATOM 843 CA ILE A 56 21.695 2.819 -9.318 1.00 0.00 C ATOM 844 C ILE A 56 20.517 2.231 -8.554 1.00 0.00 C ATOM 845 O ILE A 56 20.185 2.763 -7.495 1.00 0.00 O ATOM 846 CB ILE A 56 21.203 3.836 -10.389 1.00 0.00 C ATOM 847 CG1 ILE A 56 21.199 3.319 -11.850 1.00 0.00 C ATOM 848 CG2 ILE A 56 21.957 5.160 -10.206 1.00 0.00 C ATOM 849 CD1 ILE A 56 21.017 4.389 -12.929 1.00 0.00 C ATOM 0 H ILE A 56 22.542 1.690 -10.863 1.00 0.00 H new ATOM 0 HA ILE A 56 22.327 3.393 -8.641 1.00 0.00 H new ATOM 0 HB ILE A 56 20.140 4.000 -10.210 1.00 0.00 H new ATOM 0 HG12 ILE A 56 22.138 2.798 -12.035 1.00 0.00 H new ATOM 0 HG13 ILE A 56 20.401 2.584 -11.954 1.00 0.00 H new ATOM 0 HG21 ILE A 56 21.618 5.878 -10.953 1.00 0.00 H new ATOM 0 HG22 ILE A 56 21.763 5.555 -9.209 1.00 0.00 H new ATOM 0 HG23 ILE A 56 23.027 4.989 -10.326 1.00 0.00 H new ATOM 0 HD11 ILE A 56 21.029 3.920 -13.913 1.00 0.00 H new ATOM 0 HD12 ILE A 56 20.064 4.897 -12.781 1.00 0.00 H new ATOM 0 HD13 ILE A 56 21.828 5.114 -12.863 1.00 0.00 H new ATOM 861 N TYR A 57 19.900 1.146 -9.042 1.00 0.00 N ATOM 862 CA TYR A 57 18.801 0.541 -8.305 1.00 0.00 C ATOM 863 C TYR A 57 19.298 0.068 -6.939 1.00 0.00 C ATOM 864 O TYR A 57 18.689 0.421 -5.936 1.00 0.00 O ATOM 865 CB TYR A 57 18.160 -0.625 -9.067 1.00 0.00 C ATOM 866 CG TYR A 57 17.125 -1.338 -8.213 1.00 0.00 C ATOM 867 CD1 TYR A 57 16.030 -0.618 -7.695 1.00 0.00 C ATOM 868 CD2 TYR A 57 17.313 -2.682 -7.841 1.00 0.00 C ATOM 869 CE1 TYR A 57 15.129 -1.224 -6.801 1.00 0.00 C ATOM 870 CE2 TYR A 57 16.412 -3.303 -6.960 1.00 0.00 C ATOM 871 CZ TYR A 57 15.320 -2.577 -6.430 1.00 0.00 C ATOM 872 OH TYR A 57 14.482 -3.198 -5.552 1.00 0.00 O ATOM 0 H TYR A 57 20.140 0.685 -9.920 1.00 0.00 H new ATOM 0 HA TYR A 57 18.031 1.302 -8.177 1.00 0.00 H new ATOM 0 HB2 TYR A 57 17.690 -0.253 -9.977 1.00 0.00 H new ATOM 0 HB3 TYR A 57 18.932 -1.331 -9.372 1.00 0.00 H new ATOM 0 HD1 TYR A 57 15.881 0.411 -7.988 1.00 0.00 H new ATOM 0 HD2 TYR A 57 18.152 -3.237 -8.234 1.00 0.00 H new ATOM 0 HE1 TYR A 57 14.298 -0.662 -6.401 1.00 0.00 H new ATOM 0 HE2 TYR A 57 16.554 -4.338 -6.687 1.00 0.00 H new ATOM 0 HH TYR A 57 13.670 -2.661 -5.439 1.00 0.00 H new ATOM 882 N ASP A 58 20.404 -0.680 -6.866 1.00 0.00 N ATOM 883 CA ASP A 58 20.898 -1.213 -5.597 1.00 0.00 C ATOM 884 C ASP A 58 21.261 -0.085 -4.630 1.00 0.00 C ATOM 885 O ASP A 58 20.841 -0.105 -3.470 1.00 0.00 O ATOM 886 CB ASP A 58 22.112 -2.118 -5.821 1.00 0.00 C ATOM 887 CG ASP A 58 22.669 -2.614 -4.477 1.00 0.00 C ATOM 888 OD1 ASP A 58 22.066 -3.527 -3.868 1.00 0.00 O ATOM 889 OD2 ASP A 58 23.724 -2.110 -4.030 1.00 0.00 O ATOM 0 H ASP A 58 20.974 -0.929 -7.675 1.00 0.00 H new ATOM 0 HA ASP A 58 20.096 -1.804 -5.155 1.00 0.00 H new ATOM 0 HB2 ASP A 58 21.829 -2.969 -6.440 1.00 0.00 H new ATOM 0 HB3 ASP A 58 22.885 -1.572 -6.363 1.00 0.00 H new ATOM 894 N LYS A 59 21.988 0.928 -5.117 1.00 0.00 N ATOM 895 CA LYS A 59 22.391 2.086 -4.325 1.00 0.00 C ATOM 896 C LYS A 59 21.172 2.805 -3.756 1.00 0.00 C ATOM 897 O LYS A 59 21.098 3.038 -2.548 1.00 0.00 O ATOM 898 CB LYS A 59 23.261 2.996 -5.208 1.00 0.00 C ATOM 899 CG LYS A 59 23.596 4.360 -4.578 1.00 0.00 C ATOM 900 CD LYS A 59 25.026 4.776 -4.941 1.00 0.00 C ATOM 901 CE LYS A 59 25.301 6.228 -4.528 1.00 0.00 C ATOM 902 NZ LYS A 59 26.644 6.683 -4.966 1.00 0.00 N ATOM 0 H LYS A 59 22.314 0.963 -6.083 1.00 0.00 H new ATOM 0 HA LYS A 59 22.981 1.773 -3.464 1.00 0.00 H new ATOM 0 HB2 LYS A 59 24.192 2.477 -5.438 1.00 0.00 H new ATOM 0 HB3 LYS A 59 22.747 3.163 -6.155 1.00 0.00 H new ATOM 0 HG2 LYS A 59 22.891 5.113 -4.929 1.00 0.00 H new ATOM 0 HG3 LYS A 59 23.490 4.304 -3.495 1.00 0.00 H new ATOM 0 HD2 LYS A 59 25.737 4.113 -4.447 1.00 0.00 H new ATOM 0 HD3 LYS A 59 25.179 4.665 -6.014 1.00 0.00 H new ATOM 0 HE2 LYS A 59 24.539 6.878 -4.958 1.00 0.00 H new ATOM 0 HE3 LYS A 59 25.223 6.318 -3.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 26.997 7.406 -4.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 27.298 5.875 -4.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 26.579 7.087 -5.922 1.00 0.00 H new ATOM 916 N VAL A 60 20.212 3.153 -4.608 1.00 0.00 N ATOM 917 CA VAL A 60 19.123 4.027 -4.203 1.00 0.00 C ATOM 918 C VAL A 60 18.048 3.233 -3.464 1.00 0.00 C ATOM 919 O VAL A 60 17.511 3.748 -2.490 1.00 0.00 O ATOM 920 CB VAL A 60 18.641 4.863 -5.400 1.00 0.00 C ATOM 921 CG1 VAL A 60 17.478 5.781 -4.990 1.00 0.00 C ATOM 922 CG2 VAL A 60 19.831 5.716 -5.895 1.00 0.00 C ATOM 0 H VAL A 60 20.169 2.843 -5.579 1.00 0.00 H new ATOM 0 HA VAL A 60 19.464 4.762 -3.474 1.00 0.00 H new ATOM 0 HB VAL A 60 18.284 4.203 -6.191 1.00 0.00 H new ATOM 0 HG11 VAL A 60 17.153 6.363 -5.852 1.00 0.00 H new ATOM 0 HG12 VAL A 60 16.647 5.176 -4.627 1.00 0.00 H new ATOM 0 HG13 VAL A 60 17.808 6.456 -4.200 1.00 0.00 H new ATOM 0 HG21 VAL A 60 19.516 6.320 -6.746 1.00 0.00 H new ATOM 0 HG22 VAL A 60 20.170 6.370 -5.091 1.00 0.00 H new ATOM 0 HG23 VAL A 60 20.647 5.060 -6.198 1.00 0.00 H new ATOM 932 N SER A 61 17.787 1.974 -3.818 1.00 0.00 N ATOM 933 CA SER A 61 16.933 1.106 -3.016 1.00 0.00 C ATOM 934 C SER A 61 17.533 0.963 -1.614 1.00 0.00 C ATOM 935 O SER A 61 16.789 1.006 -0.639 1.00 0.00 O ATOM 936 CB SER A 61 16.759 -0.247 -3.716 1.00 0.00 C ATOM 937 OG SER A 61 15.761 -1.029 -3.088 1.00 0.00 O ATOM 0 H SER A 61 18.158 1.534 -4.660 1.00 0.00 H new ATOM 0 HA SER A 61 15.940 1.543 -2.911 1.00 0.00 H new ATOM 0 HB2 SER A 61 16.493 -0.086 -4.761 1.00 0.00 H new ATOM 0 HB3 SER A 61 17.706 -0.787 -3.707 1.00 0.00 H new ATOM 0 HG SER A 61 15.672 -1.885 -3.557 1.00 0.00 H new ATOM 943 N GLY A 62 18.865 0.872 -1.487 1.00 0.00 N ATOM 944 CA GLY A 62 19.543 0.879 -0.200 1.00 0.00 C ATOM 945 C GLY A 62 19.237 2.152 0.589 1.00 0.00 C ATOM 946 O GLY A 62 18.862 2.069 1.757 1.00 0.00 O ATOM 0 H GLY A 62 19.497 0.791 -2.283 1.00 0.00 H new ATOM 0 HA2 GLY A 62 19.235 0.008 0.379 1.00 0.00 H new ATOM 0 HA3 GLY A 62 20.619 0.795 -0.354 1.00 0.00 H new ATOM 950 N ASP A 63 19.342 3.329 -0.041 1.00 0.00 N ATOM 951 CA ASP A 63 19.047 4.601 0.620 1.00 0.00 C ATOM 952 C ASP A 63 17.579 4.687 1.032 1.00 0.00 C ATOM 953 O ASP A 63 17.285 5.029 2.175 1.00 0.00 O ATOM 954 CB ASP A 63 19.410 5.792 -0.270 1.00 0.00 C ATOM 955 CG ASP A 63 19.247 7.120 0.486 1.00 0.00 C ATOM 956 OD1 ASP A 63 20.186 7.499 1.222 1.00 0.00 O ATOM 957 OD2 ASP A 63 18.214 7.802 0.315 1.00 0.00 O ATOM 0 H ASP A 63 19.631 3.424 -1.015 1.00 0.00 H new ATOM 0 HA ASP A 63 19.662 4.642 1.519 1.00 0.00 H new ATOM 0 HB2 ASP A 63 20.439 5.691 -0.616 1.00 0.00 H new ATOM 0 HB3 ASP A 63 18.775 5.794 -1.156 1.00 0.00 H new ATOM 962 N MET A 64 16.652 4.310 0.149 1.00 0.00 N ATOM 963 CA MET A 64 15.229 4.286 0.465 1.00 0.00 C ATOM 964 C MET A 64 14.947 3.334 1.630 1.00 0.00 C ATOM 965 O MET A 64 14.222 3.692 2.557 1.00 0.00 O ATOM 966 CB MET A 64 14.418 3.867 -0.767 1.00 0.00 C ATOM 967 CG MET A 64 14.466 4.827 -1.963 1.00 0.00 C ATOM 968 SD MET A 64 13.772 6.469 -1.652 1.00 0.00 S ATOM 969 CE MET A 64 15.293 7.382 -1.287 1.00 0.00 C ATOM 0 H MET A 64 16.870 4.014 -0.803 1.00 0.00 H new ATOM 0 HA MET A 64 14.928 5.291 0.761 1.00 0.00 H new ATOM 0 HB2 MET A 64 14.773 2.890 -1.096 1.00 0.00 H new ATOM 0 HB3 MET A 64 13.377 3.743 -0.467 1.00 0.00 H new ATOM 0 HG2 MET A 64 15.504 4.941 -2.277 1.00 0.00 H new ATOM 0 HG3 MET A 64 13.929 4.373 -2.796 1.00 0.00 H new ATOM 0 HE1 MET A 64 15.080 8.169 -0.564 1.00 0.00 H new ATOM 0 HE2 MET A 64 16.036 6.700 -0.873 1.00 0.00 H new ATOM 0 HE3 MET A 64 15.680 7.826 -2.204 1.00 0.00 H new ATOM 979 N GLN A 65 15.532 2.137 1.633 1.00 0.00 N ATOM 980 CA GLN A 65 15.367 1.167 2.703 1.00 0.00 C ATOM 981 C GLN A 65 15.977 1.669 4.017 1.00 0.00 C ATOM 982 O GLN A 65 15.433 1.381 5.081 1.00 0.00 O ATOM 983 CB GLN A 65 16.003 -0.164 2.278 1.00 0.00 C ATOM 984 CG GLN A 65 15.146 -0.956 1.278 1.00 0.00 C ATOM 985 CD GLN A 65 15.889 -2.197 0.781 1.00 0.00 C ATOM 986 OE1 GLN A 65 16.197 -3.105 1.551 1.00 0.00 O ATOM 987 NE2 GLN A 65 16.200 -2.284 -0.503 1.00 0.00 N ATOM 0 H GLN A 65 16.141 1.814 0.881 1.00 0.00 H new ATOM 0 HA GLN A 65 14.302 1.020 2.882 1.00 0.00 H new ATOM 0 HB2 GLN A 65 16.978 0.033 1.833 1.00 0.00 H new ATOM 0 HB3 GLN A 65 16.174 -0.776 3.164 1.00 0.00 H new ATOM 0 HG2 GLN A 65 14.210 -1.253 1.751 1.00 0.00 H new ATOM 0 HG3 GLN A 65 14.887 -0.320 0.432 1.00 0.00 H new ATOM 0 HE21 GLN A 65 15.945 -1.531 -1.142 1.00 0.00 H new ATOM 0 HE22 GLN A 65 16.695 -3.104 -0.853 1.00 0.00 H new ATOM 996 N LYS A 66 17.064 2.449 3.972 1.00 0.00 N ATOM 997 CA LYS A 66 17.617 3.125 5.142 1.00 0.00 C ATOM 998 C LYS A 66 16.621 4.156 5.686 1.00 0.00 C ATOM 999 O LYS A 66 16.484 4.244 6.907 1.00 0.00 O ATOM 1000 CB LYS A 66 18.971 3.731 4.749 1.00 0.00 C ATOM 1001 CG LYS A 66 19.626 4.637 5.804 1.00 0.00 C ATOM 1002 CD LYS A 66 20.872 5.324 5.224 1.00 0.00 C ATOM 1003 CE LYS A 66 20.483 6.369 4.165 1.00 0.00 C ATOM 1004 NZ LYS A 66 21.650 7.008 3.518 1.00 0.00 N ATOM 0 H LYS A 66 17.585 2.627 3.114 1.00 0.00 H new ATOM 0 HA LYS A 66 17.787 2.423 5.958 1.00 0.00 H new ATOM 0 HB2 LYS A 66 19.659 2.918 4.517 1.00 0.00 H new ATOM 0 HB3 LYS A 66 18.839 4.307 3.833 1.00 0.00 H new ATOM 0 HG2 LYS A 66 18.912 5.389 6.140 1.00 0.00 H new ATOM 0 HG3 LYS A 66 19.902 4.047 6.678 1.00 0.00 H new ATOM 0 HD2 LYS A 66 21.433 5.805 6.026 1.00 0.00 H new ATOM 0 HD3 LYS A 66 21.529 4.577 4.779 1.00 0.00 H new ATOM 0 HE2 LYS A 66 19.869 5.891 3.401 1.00 0.00 H new ATOM 0 HE3 LYS A 66 19.869 7.139 4.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 21.392 7.310 2.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 21.945 7.836 4.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 22.435 6.328 3.468 1.00 0.00 H new ATOM 1018 N GLN A 67 15.898 4.897 4.830 1.00 0.00 N ATOM 1019 CA GLN A 67 14.782 5.731 5.297 1.00 0.00 C ATOM 1020 C GLN A 67 13.729 4.839 5.965 1.00 0.00 C ATOM 1021 O GLN A 67 13.198 5.190 7.016 1.00 0.00 O ATOM 1022 CB GLN A 67 14.124 6.546 4.169 1.00 0.00 C ATOM 1023 CG GLN A 67 15.073 7.421 3.331 1.00 0.00 C ATOM 1024 CD GLN A 67 14.307 8.279 2.321 1.00 0.00 C ATOM 1025 OE1 GLN A 67 14.519 9.484 2.216 1.00 0.00 O ATOM 1026 NE2 GLN A 67 13.396 7.692 1.558 1.00 0.00 N ATOM 0 H GLN A 67 16.064 4.935 3.824 1.00 0.00 H new ATOM 0 HA GLN A 67 15.192 6.448 6.008 1.00 0.00 H new ATOM 0 HB2 GLN A 67 13.611 5.855 3.499 1.00 0.00 H new ATOM 0 HB3 GLN A 67 13.361 7.189 4.609 1.00 0.00 H new ATOM 0 HG2 GLN A 67 15.652 8.066 3.992 1.00 0.00 H new ATOM 0 HG3 GLN A 67 15.784 6.785 2.803 1.00 0.00 H new ATOM 0 HE21 GLN A 67 13.223 6.691 1.649 1.00 0.00 H new ATOM 0 HE22 GLN A 67 12.868 8.241 0.880 1.00 0.00 H new ATOM 1035 N GLY A 68 13.441 3.686 5.360 1.00 0.00 N ATOM 1036 CA GLY A 68 12.567 2.631 5.876 1.00 0.00 C ATOM 1037 C GLY A 68 11.707 1.979 4.784 1.00 0.00 C ATOM 1038 O GLY A 68 10.960 1.045 5.075 1.00 0.00 O ATOM 0 H GLY A 68 13.832 3.450 4.448 1.00 0.00 H new ATOM 0 HA2 GLY A 68 13.175 1.865 6.357 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.915 3.049 6.643 1.00 0.00 H new ATOM 1042 N CYS A 69 11.773 2.489 3.551 1.00 0.00 N ATOM 1043 CA CYS A 69 10.889 2.145 2.445 1.00 0.00 C ATOM 1044 C CYS A 69 11.100 0.714 1.932 1.00 0.00 C ATOM 1045 O CYS A 69 12.008 -0.002 2.353 1.00 0.00 O ATOM 1046 CB CYS A 69 11.172 3.114 1.291 1.00 0.00 C ATOM 1047 SG CYS A 69 11.093 4.852 1.813 1.00 0.00 S ATOM 0 H CYS A 69 12.475 3.182 3.290 1.00 0.00 H new ATOM 0 HA CYS A 69 9.863 2.216 2.807 1.00 0.00 H new ATOM 0 HB2 CYS A 69 12.159 2.906 0.879 1.00 0.00 H new ATOM 0 HB3 CYS A 69 10.450 2.944 0.492 1.00 0.00 H new ATOM 0 HG CYS A 69 11.343 5.622 0.796 1.00 0.00 H new ATOM 1053 N ASP A 70 10.290 0.345 0.941 1.00 0.00 N ATOM 1054 CA ASP A 70 10.421 -0.856 0.119 1.00 0.00 C ATOM 1055 C ASP A 70 10.334 -0.348 -1.321 1.00 0.00 C ATOM 1056 O ASP A 70 9.651 0.658 -1.560 1.00 0.00 O ATOM 1057 CB ASP A 70 9.328 -1.878 0.442 1.00 0.00 C ATOM 1058 CG ASP A 70 9.426 -3.111 -0.470 1.00 0.00 C ATOM 1059 OD1 ASP A 70 10.546 -3.627 -0.683 1.00 0.00 O ATOM 1060 OD2 ASP A 70 8.377 -3.588 -0.957 1.00 0.00 O ATOM 0 H ASP A 70 9.481 0.907 0.676 1.00 0.00 H new ATOM 0 HA ASP A 70 11.356 -1.385 0.302 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.413 -2.187 1.484 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.348 -1.414 0.326 1.00 0.00 H new ATOM 1065 N CYS A 71 11.038 -0.971 -2.271 1.00 0.00 N ATOM 1066 CA CYS A 71 11.210 -0.419 -3.613 1.00 0.00 C ATOM 1067 C CYS A 71 11.344 -1.481 -4.705 1.00 0.00 C ATOM 1068 O CYS A 71 11.650 -2.637 -4.410 1.00 0.00 O ATOM 1069 CB CYS A 71 12.502 0.409 -3.632 1.00 0.00 C ATOM 1070 SG CYS A 71 12.462 1.753 -2.415 1.00 0.00 S ATOM 0 H CYS A 71 11.502 -1.868 -2.130 1.00 0.00 H new ATOM 0 HA CYS A 71 10.316 0.168 -3.824 1.00 0.00 H new ATOM 0 HB2 CYS A 71 13.353 -0.241 -3.427 1.00 0.00 H new ATOM 0 HB3 CYS A 71 12.652 0.826 -4.628 1.00 0.00 H new ATOM 0 HG CYS A 71 13.128 1.400 -1.356 1.00 0.00 H new ATOM 1076 N GLU A 72 11.208 -1.069 -5.973 1.00 0.00 N ATOM 1077 CA GLU A 72 11.369 -1.924 -7.142 1.00 0.00 C ATOM 1078 C GLU A 72 11.742 -1.068 -8.357 1.00 0.00 C ATOM 1079 O GLU A 72 11.066 -0.079 -8.638 1.00 0.00 O ATOM 1080 CB GLU A 72 10.032 -2.636 -7.388 1.00 0.00 C ATOM 1081 CG GLU A 72 10.084 -3.519 -8.637 1.00 0.00 C ATOM 1082 CD GLU A 72 8.864 -4.453 -8.733 1.00 0.00 C ATOM 1083 OE1 GLU A 72 7.800 -4.030 -9.236 1.00 0.00 O ATOM 1084 OE2 GLU A 72 8.964 -5.631 -8.320 1.00 0.00 O ATOM 0 H GLU A 72 10.977 -0.105 -6.213 1.00 0.00 H new ATOM 0 HA GLU A 72 12.161 -2.655 -6.980 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.779 -3.246 -6.521 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.240 -1.895 -7.498 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.129 -2.889 -9.525 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.997 -4.115 -8.622 1.00 0.00 H new ATOM 1091 N CYS A 73 12.799 -1.431 -9.086 1.00 0.00 N ATOM 1092 CA CYS A 73 13.119 -0.841 -10.383 1.00 0.00 C ATOM 1093 C CYS A 73 12.074 -1.329 -11.391 1.00 0.00 C ATOM 1094 O CYS A 73 11.986 -2.528 -11.669 1.00 0.00 O ATOM 1095 CB CYS A 73 14.550 -1.205 -10.815 1.00 0.00 C ATOM 1096 SG CYS A 73 14.903 -2.945 -10.422 1.00 0.00 S ATOM 0 H CYS A 73 13.461 -2.148 -8.789 1.00 0.00 H new ATOM 0 HA CYS A 73 13.086 0.247 -10.325 1.00 0.00 H new ATOM 0 HB2 CYS A 73 14.669 -1.035 -11.885 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.266 -0.558 -10.308 1.00 0.00 H new ATOM 0 HG CYS A 73 15.590 -3.477 -11.389 1.00 0.00 H new ATOM 1102 N LEU A 74 11.273 -0.409 -11.931 1.00 0.00 N ATOM 1103 CA LEU A 74 10.249 -0.724 -12.919 1.00 0.00 C ATOM 1104 C LEU A 74 10.878 -1.044 -14.280 1.00 0.00 C ATOM 1105 O LEU A 74 10.275 -1.760 -15.078 1.00 0.00 O ATOM 1106 CB LEU A 74 9.263 0.449 -13.055 1.00 0.00 C ATOM 1107 CG LEU A 74 8.495 0.819 -11.769 1.00 0.00 C ATOM 1108 CD1 LEU A 74 7.431 1.865 -12.109 1.00 0.00 C ATOM 1109 CD2 LEU A 74 7.814 -0.381 -11.098 1.00 0.00 C ATOM 0 H LEU A 74 11.320 0.581 -11.691 1.00 0.00 H new ATOM 0 HA LEU A 74 9.708 -1.606 -12.577 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.813 1.327 -13.395 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.539 0.205 -13.833 1.00 0.00 H new ATOM 0 HG LEU A 74 9.229 1.206 -11.062 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.883 2.133 -11.206 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.912 2.753 -12.519 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.740 1.455 -12.845 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.293 -0.048 -10.200 1.00 0.00 H new ATOM 0 HD22 LEU A 74 7.098 -0.826 -11.789 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.566 -1.122 -10.827 1.00 0.00 H new ATOM 1121 N GLY A 75 12.079 -0.525 -14.545 1.00 0.00 N ATOM 1122 CA GLY A 75 12.858 -0.790 -15.742 1.00 0.00 C ATOM 1123 C GLY A 75 14.080 0.122 -15.761 1.00 0.00 C ATOM 1124 O GLY A 75 14.252 0.945 -14.854 1.00 0.00 O ATOM 0 H GLY A 75 12.547 0.115 -13.903 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.169 -1.834 -15.763 1.00 0.00 H new ATOM 0 HA3 GLY A 75 12.250 -0.620 -16.630 1.00 0.00 H new ATOM 1128 N GLY A 76 14.908 0.002 -16.798 1.00 0.00 N ATOM 1129 CA GLY A 76 16.104 0.820 -16.980 1.00 0.00 C ATOM 1130 C GLY A 76 16.213 1.328 -18.414 1.00 0.00 C ATOM 1131 O GLY A 76 15.406 0.961 -19.276 1.00 0.00 O ATOM 0 H GLY A 76 14.764 -0.677 -17.546 1.00 0.00 H new ATOM 0 HA2 GLY A 76 16.077 1.666 -16.293 1.00 0.00 H new ATOM 0 HA3 GLY A 76 16.989 0.235 -16.731 1.00 0.00 H new ATOM 1135 N GLY A 77 17.198 2.193 -18.654 1.00 0.00 N ATOM 1136 CA GLY A 77 17.403 2.873 -19.922 1.00 0.00 C ATOM 1137 C GLY A 77 18.588 3.833 -19.818 1.00 0.00 C ATOM 1138 O GLY A 77 19.425 3.716 -18.920 1.00 0.00 O ATOM 0 H GLY A 77 17.892 2.443 -17.949 1.00 0.00 H new ATOM 0 HA2 GLY A 77 17.585 2.142 -20.710 1.00 0.00 H new ATOM 0 HA3 GLY A 77 16.503 3.422 -20.198 1.00 0.00 H new ATOM 1142 N ARG A 78 18.648 4.822 -20.706 1.00 0.00 N ATOM 1143 CA ARG A 78 19.737 5.779 -20.820 1.00 0.00 C ATOM 1144 C ARG A 78 19.169 7.182 -21.004 1.00 0.00 C ATOM 1145 O ARG A 78 18.065 7.369 -21.522 1.00 0.00 O ATOM 1146 CB ARG A 78 20.654 5.339 -21.978 1.00 0.00 C ATOM 1147 CG ARG A 78 22.028 6.032 -21.991 1.00 0.00 C ATOM 1148 CD ARG A 78 22.877 5.683 -23.218 1.00 0.00 C ATOM 1149 NE ARG A 78 23.207 4.245 -23.286 1.00 0.00 N ATOM 1150 CZ ARG A 78 22.596 3.322 -24.042 1.00 0.00 C ATOM 1151 NH1 ARG A 78 21.640 3.660 -24.896 1.00 0.00 N ATOM 1152 NH2 ARG A 78 22.934 2.043 -23.942 1.00 0.00 N ATOM 0 H ARG A 78 17.909 4.982 -21.391 1.00 0.00 H new ATOM 0 HA ARG A 78 20.339 5.806 -19.912 1.00 0.00 H new ATOM 0 HB2 ARG A 78 20.804 4.261 -21.919 1.00 0.00 H new ATOM 0 HB3 ARG A 78 20.149 5.539 -22.923 1.00 0.00 H new ATOM 0 HG2 ARG A 78 21.882 7.112 -21.955 1.00 0.00 H new ATOM 0 HG3 ARG A 78 22.575 5.754 -21.090 1.00 0.00 H new ATOM 0 HD2 ARG A 78 22.340 5.973 -24.122 1.00 0.00 H new ATOM 0 HD3 ARG A 78 23.799 6.264 -23.195 1.00 0.00 H new ATOM 0 HE ARG A 78 23.976 3.922 -22.699 1.00 0.00 H new ATOM 0 HH11 ARG A 78 21.358 4.636 -24.986 1.00 0.00 H new ATOM 0 HH12 ARG A 78 21.186 2.944 -25.463 1.00 0.00 H new ATOM 0 HH21 ARG A 78 23.662 1.758 -23.287 1.00 0.00 H new ATOM 0 HH22 ARG A 78 22.466 1.345 -24.520 1.00 0.00 H new ATOM 1166 N ILE A 79 19.958 8.157 -20.572 1.00 0.00 N ATOM 1167 CA ILE A 79 19.716 9.580 -20.653 1.00 0.00 C ATOM 1168 C ILE A 79 20.816 10.097 -21.575 1.00 0.00 C ATOM 1169 O ILE A 79 22.000 9.803 -21.376 1.00 0.00 O ATOM 1170 CB ILE A 79 19.749 10.158 -19.217 1.00 0.00 C ATOM 1171 CG1 ILE A 79 18.355 9.918 -18.589 1.00 0.00 C ATOM 1172 CG2 ILE A 79 20.112 11.655 -19.183 1.00 0.00 C ATOM 1173 CD1 ILE A 79 18.210 10.362 -17.130 1.00 0.00 C ATOM 0 H ILE A 79 20.850 7.951 -20.123 1.00 0.00 H new ATOM 0 HA ILE A 79 18.746 9.870 -21.057 1.00 0.00 H new ATOM 0 HB ILE A 79 20.530 9.654 -18.648 1.00 0.00 H new ATOM 0 HG12 ILE A 79 17.610 10.443 -19.187 1.00 0.00 H new ATOM 0 HG13 ILE A 79 18.124 8.855 -18.653 1.00 0.00 H new ATOM 0 HG21 ILE A 79 20.119 12.004 -18.150 1.00 0.00 H new ATOM 0 HG22 ILE A 79 21.099 11.800 -19.622 1.00 0.00 H new ATOM 0 HG23 ILE A 79 19.375 12.221 -19.752 1.00 0.00 H new ATOM 0 HD11 ILE A 79 17.198 10.151 -16.784 1.00 0.00 H new ATOM 0 HD12 ILE A 79 18.925 9.820 -16.512 1.00 0.00 H new ATOM 0 HD13 ILE A 79 18.403 11.432 -17.054 1.00 0.00 H new ATOM 1185 N SER A 80 20.433 10.813 -22.628 1.00 0.00 N ATOM 1186 CA SER A 80 21.349 11.300 -23.650 1.00 0.00 C ATOM 1187 C SER A 80 20.763 12.563 -24.277 1.00 0.00 C ATOM 1188 O SER A 80 19.567 12.820 -24.141 1.00 0.00 O ATOM 1189 CB SER A 80 21.556 10.208 -24.716 1.00 0.00 C ATOM 1190 OG SER A 80 21.920 8.968 -24.126 1.00 0.00 O ATOM 0 H SER A 80 19.462 11.074 -22.796 1.00 0.00 H new ATOM 0 HA SER A 80 22.317 11.538 -23.208 1.00 0.00 H new ATOM 0 HB2 SER A 80 20.640 10.083 -25.293 1.00 0.00 H new ATOM 0 HB3 SER A 80 22.332 10.522 -25.414 1.00 0.00 H new ATOM 0 HG SER A 80 22.043 8.295 -24.828 1.00 0.00 H new ATOM 1196 N HIS A 81 21.578 13.360 -24.969 1.00 0.00 N ATOM 1197 CA HIS A 81 21.059 14.463 -25.769 1.00 0.00 C ATOM 1198 C HIS A 81 20.360 13.885 -27.004 1.00 0.00 C ATOM 1199 O HIS A 81 20.840 12.914 -27.595 1.00 0.00 O ATOM 1200 CB HIS A 81 22.201 15.408 -26.176 1.00 0.00 C ATOM 1201 CG HIS A 81 22.907 16.035 -24.998 1.00 0.00 C ATOM 1202 ND1 HIS A 81 22.416 17.037 -24.190 1.00 0.00 N ATOM 1203 CD2 HIS A 81 24.154 15.716 -24.528 1.00 0.00 C ATOM 1204 CE1 HIS A 81 23.340 17.308 -23.254 1.00 0.00 C ATOM 1205 NE2 HIS A 81 24.427 16.530 -23.420 1.00 0.00 N ATOM 0 H HIS A 81 22.593 13.261 -24.990 1.00 0.00 H new ATOM 0 HA HIS A 81 20.342 15.042 -25.187 1.00 0.00 H new ATOM 0 HB2 HIS A 81 22.926 14.854 -26.772 1.00 0.00 H new ATOM 0 HB3 HIS A 81 21.801 16.197 -26.813 1.00 0.00 H new ATOM 0 HD1 HIS A 81 21.509 17.493 -24.286 1.00 0.00 H new ATOM 0 HD2 HIS A 81 24.813 14.966 -24.940 1.00 0.00 H new ATOM 0 HE1 HIS A 81 23.227 18.048 -22.475 1.00 0.00 H new ATOM 1213 N GLN A 82 19.252 14.504 -27.420 1.00 0.00 N ATOM 1214 CA GLN A 82 18.597 14.213 -28.696 1.00 0.00 C ATOM 1215 C GLN A 82 19.405 14.806 -29.868 1.00 0.00 C ATOM 1216 O GLN A 82 19.142 14.482 -31.026 1.00 0.00 O ATOM 1217 CB GLN A 82 17.163 14.781 -28.672 1.00 0.00 C ATOM 1218 CG GLN A 82 16.206 13.972 -29.564 1.00 0.00 C ATOM 1219 CD GLN A 82 14.777 14.527 -29.572 1.00 0.00 C ATOM 1220 OE1 GLN A 82 14.544 15.729 -29.457 1.00 0.00 O ATOM 1221 NE2 GLN A 82 13.785 13.664 -29.731 1.00 0.00 N ATOM 0 H GLN A 82 18.781 15.227 -26.876 1.00 0.00 H new ATOM 0 HA GLN A 82 18.549 13.134 -28.841 1.00 0.00 H new ATOM 0 HB2 GLN A 82 16.790 14.781 -27.648 1.00 0.00 H new ATOM 0 HB3 GLN A 82 17.179 15.819 -29.005 1.00 0.00 H new ATOM 0 HG2 GLN A 82 16.591 13.962 -30.584 1.00 0.00 H new ATOM 0 HG3 GLN A 82 16.186 12.938 -29.220 1.00 0.00 H new ATOM 0 HE21 GLN A 82 13.985 12.668 -29.826 1.00 0.00 H new ATOM 0 HE22 GLN A 82 12.821 13.995 -29.759 1.00 0.00 H new ATOM 1230 N SER A 83 20.355 15.705 -29.575 1.00 0.00 N ATOM 1231 CA SER A 83 21.280 16.347 -30.511 1.00 0.00 C ATOM 1232 C SER A 83 20.609 17.234 -31.575 1.00 0.00 C ATOM 1233 O SER A 83 21.304 17.785 -32.432 1.00 0.00 O ATOM 1234 CB SER A 83 22.227 15.295 -31.113 1.00 0.00 C ATOM 1235 OG SER A 83 22.828 14.516 -30.086 1.00 0.00 O ATOM 0 H SER A 83 20.505 16.021 -28.617 1.00 0.00 H new ATOM 0 HA SER A 83 21.869 17.059 -29.933 1.00 0.00 H new ATOM 0 HB2 SER A 83 21.674 14.646 -31.792 1.00 0.00 H new ATOM 0 HB3 SER A 83 23.000 15.788 -31.702 1.00 0.00 H new ATOM 0 HG SER A 83 23.426 13.851 -30.487 1.00 0.00 H new ATOM 1241 N GLN A 84 19.283 17.418 -31.519 1.00 0.00 N ATOM 1242 CA GLN A 84 18.574 18.330 -32.414 1.00 0.00 C ATOM 1243 C GLN A 84 18.790 19.774 -31.943 1.00 0.00 C ATOM 1244 O GLN A 84 19.056 20.658 -32.760 1.00 0.00 O ATOM 1245 CB GLN A 84 17.071 17.989 -32.465 1.00 0.00 C ATOM 1246 CG GLN A 84 16.756 16.508 -32.737 1.00 0.00 C ATOM 1247 CD GLN A 84 17.482 15.943 -33.961 1.00 0.00 C ATOM 1248 OE1 GLN A 84 17.210 16.323 -35.098 1.00 0.00 O ATOM 1249 NE2 GLN A 84 18.420 15.029 -33.763 1.00 0.00 N ATOM 0 H GLN A 84 18.677 16.939 -30.853 1.00 0.00 H new ATOM 0 HA GLN A 84 18.971 18.221 -33.423 1.00 0.00 H new ATOM 0 HB2 GLN A 84 16.615 18.275 -31.517 1.00 0.00 H new ATOM 0 HB3 GLN A 84 16.601 18.594 -33.240 1.00 0.00 H new ATOM 0 HG2 GLN A 84 17.028 15.920 -31.860 1.00 0.00 H new ATOM 0 HG3 GLN A 84 15.681 16.393 -32.877 1.00 0.00 H new ATOM 0 HE21 GLN A 84 18.639 14.720 -32.816 1.00 0.00 H new ATOM 0 HE22 GLN A 84 18.923 14.634 -34.558 1.00 0.00 H new ATOM 1258 N ASP A 85 18.705 20.004 -30.625 1.00 0.00 N ATOM 1259 CA ASP A 85 18.846 21.319 -29.993 1.00 0.00 C ATOM 1260 C ASP A 85 19.248 21.146 -28.518 1.00 0.00 C ATOM 1261 O ASP A 85 18.635 21.719 -27.618 1.00 0.00 O ATOM 1262 CB ASP A 85 17.541 22.123 -30.152 1.00 0.00 C ATOM 1263 CG ASP A 85 17.662 23.564 -29.617 1.00 0.00 C ATOM 1264 OD1 ASP A 85 18.700 24.227 -29.851 1.00 0.00 O ATOM 1265 OD2 ASP A 85 16.689 24.071 -29.014 1.00 0.00 O ATOM 0 H ASP A 85 18.531 19.257 -29.952 1.00 0.00 H new ATOM 0 HA ASP A 85 19.637 21.885 -30.485 1.00 0.00 H new ATOM 0 HB2 ASP A 85 17.263 22.153 -31.206 1.00 0.00 H new ATOM 0 HB3 ASP A 85 16.736 21.610 -29.625 1.00 0.00 H new ATOM 1270 N LYS A 86 20.220 20.257 -28.251 1.00 0.00 N ATOM 1271 CA LYS A 86 20.765 19.896 -26.923 1.00 0.00 C ATOM 1272 C LYS A 86 19.766 19.227 -25.958 1.00 0.00 C ATOM 1273 O LYS A 86 20.201 18.608 -24.987 1.00 0.00 O ATOM 1274 CB LYS A 86 21.473 21.133 -26.319 1.00 0.00 C ATOM 1275 CG LYS A 86 22.371 20.861 -25.093 1.00 0.00 C ATOM 1276 CD LYS A 86 21.945 21.626 -23.827 1.00 0.00 C ATOM 1277 CE LYS A 86 20.543 21.235 -23.328 1.00 0.00 C ATOM 1278 NZ LYS A 86 20.134 22.018 -22.137 1.00 0.00 N ATOM 0 H LYS A 86 20.677 19.737 -29.000 1.00 0.00 H new ATOM 0 HA LYS A 86 21.494 19.101 -27.078 1.00 0.00 H new ATOM 0 HB2 LYS A 86 22.082 21.595 -27.096 1.00 0.00 H new ATOM 0 HB3 LYS A 86 20.713 21.860 -26.035 1.00 0.00 H new ATOM 0 HG2 LYS A 86 22.364 19.792 -24.880 1.00 0.00 H new ATOM 0 HG3 LYS A 86 23.398 21.130 -25.340 1.00 0.00 H new ATOM 0 HD2 LYS A 86 22.671 21.439 -23.036 1.00 0.00 H new ATOM 0 HD3 LYS A 86 21.966 22.696 -24.032 1.00 0.00 H new ATOM 0 HE2 LYS A 86 19.819 21.388 -24.128 1.00 0.00 H new ATOM 0 HE3 LYS A 86 20.529 20.173 -23.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 19.360 21.526 -21.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 20.944 22.118 -21.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 19.811 22.961 -22.435 1.00 0.00 H new ATOM 1292 N LYS A 87 18.459 19.310 -26.214 1.00 0.00 N ATOM 1293 CA LYS A 87 17.376 18.752 -25.401 1.00 0.00 C ATOM 1294 C LYS A 87 17.696 17.315 -24.985 1.00 0.00 C ATOM 1295 O LYS A 87 17.991 16.487 -25.850 1.00 0.00 O ATOM 1296 CB LYS A 87 16.077 18.845 -26.224 1.00 0.00 C ATOM 1297 CG LYS A 87 14.817 18.662 -25.366 1.00 0.00 C ATOM 1298 CD LYS A 87 13.512 18.682 -26.180 1.00 0.00 C ATOM 1299 CE LYS A 87 13.286 20.032 -26.884 1.00 0.00 C ATOM 1300 NZ LYS A 87 11.964 20.116 -27.553 1.00 0.00 N ATOM 0 H LYS A 87 18.108 19.795 -27.040 1.00 0.00 H new ATOM 0 HA LYS A 87 17.257 19.316 -24.476 1.00 0.00 H new ATOM 0 HB2 LYS A 87 16.035 19.814 -26.721 1.00 0.00 H new ATOM 0 HB3 LYS A 87 16.092 18.086 -27.006 1.00 0.00 H new ATOM 0 HG2 LYS A 87 14.887 17.716 -24.829 1.00 0.00 H new ATOM 0 HG3 LYS A 87 14.780 19.452 -24.616 1.00 0.00 H new ATOM 0 HD2 LYS A 87 13.538 17.886 -26.924 1.00 0.00 H new ATOM 0 HD3 LYS A 87 12.671 18.473 -25.519 1.00 0.00 H new ATOM 0 HE2 LYS A 87 13.370 20.836 -26.153 1.00 0.00 H new ATOM 0 HE3 LYS A 87 14.073 20.188 -27.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 12.016 20.794 -28.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 11.700 19.179 -27.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 11.248 20.434 -26.869 1.00 0.00 H new ATOM 1314 N ILE A 88 17.673 17.013 -23.688 1.00 0.00 N ATOM 1315 CA ILE A 88 17.846 15.654 -23.187 1.00 0.00 C ATOM 1316 C ILE A 88 16.654 14.789 -23.638 1.00 0.00 C ATOM 1317 O ILE A 88 15.539 15.272 -23.852 1.00 0.00 O ATOM 1318 CB ILE A 88 18.092 15.694 -21.654 1.00 0.00 C ATOM 1319 CG1 ILE A 88 19.513 16.205 -21.312 1.00 0.00 C ATOM 1320 CG2 ILE A 88 17.832 14.356 -20.936 1.00 0.00 C ATOM 1321 CD1 ILE A 88 20.670 15.259 -21.668 1.00 0.00 C ATOM 0 H ILE A 88 17.533 17.707 -22.954 1.00 0.00 H new ATOM 0 HA ILE A 88 18.730 15.177 -23.610 1.00 0.00 H new ATOM 0 HB ILE A 88 17.352 16.401 -21.278 1.00 0.00 H new ATOM 0 HG12 ILE A 88 19.672 17.152 -21.828 1.00 0.00 H new ATOM 0 HG13 ILE A 88 19.556 16.414 -20.243 1.00 0.00 H new ATOM 0 HG21 ILE A 88 18.027 14.471 -19.870 1.00 0.00 H new ATOM 0 HG22 ILE A 88 16.794 14.059 -21.085 1.00 0.00 H new ATOM 0 HG23 ILE A 88 18.491 13.590 -21.345 1.00 0.00 H new ATOM 0 HD11 ILE A 88 21.617 15.719 -21.384 1.00 0.00 H new ATOM 0 HD12 ILE A 88 20.549 14.318 -21.131 1.00 0.00 H new ATOM 0 HD13 ILE A 88 20.667 15.068 -22.741 1.00 0.00 H new ATOM 1333 N HIS A 89 16.898 13.488 -23.765 1.00 0.00 N ATOM 1334 CA HIS A 89 15.972 12.467 -24.210 1.00 0.00 C ATOM 1335 C HIS A 89 16.195 11.232 -23.331 1.00 0.00 C ATOM 1336 O HIS A 89 17.312 11.008 -22.848 1.00 0.00 O ATOM 1337 CB HIS A 89 16.262 12.177 -25.688 1.00 0.00 C ATOM 1338 CG HIS A 89 15.291 11.237 -26.352 1.00 0.00 C ATOM 1339 ND1 HIS A 89 14.103 11.589 -26.952 1.00 0.00 N ATOM 1340 CD2 HIS A 89 15.457 9.892 -26.543 1.00 0.00 C ATOM 1341 CE1 HIS A 89 13.566 10.482 -27.491 1.00 0.00 C ATOM 1342 NE2 HIS A 89 14.354 9.417 -27.263 1.00 0.00 N ATOM 0 H HIS A 89 17.814 13.099 -23.542 1.00 0.00 H new ATOM 0 HA HIS A 89 14.931 12.777 -24.122 1.00 0.00 H new ATOM 0 HB2 HIS A 89 16.264 13.120 -26.235 1.00 0.00 H new ATOM 0 HB3 HIS A 89 17.265 11.758 -25.771 1.00 0.00 H new ATOM 0 HD2 HIS A 89 16.292 9.301 -26.199 1.00 0.00 H new ATOM 0 HE1 HIS A 89 12.632 10.452 -28.032 1.00 0.00 H new ATOM 0 HE2 HIS A 89 14.183 8.455 -27.556 1.00 0.00 H new ATOM 1350 N VAL A 90 15.151 10.428 -23.126 1.00 0.00 N ATOM 1351 CA VAL A 90 15.157 9.303 -22.197 1.00 0.00 C ATOM 1352 C VAL A 90 14.569 8.099 -22.939 1.00 0.00 C ATOM 1353 O VAL A 90 13.447 8.158 -23.439 1.00 0.00 O ATOM 1354 CB VAL A 90 14.365 9.655 -20.915 1.00 0.00 C ATOM 1355 CG1 VAL A 90 14.733 8.670 -19.796 1.00 0.00 C ATOM 1356 CG2 VAL A 90 14.607 11.084 -20.393 1.00 0.00 C ATOM 0 H VAL A 90 14.262 10.545 -23.612 1.00 0.00 H new ATOM 0 HA VAL A 90 16.168 9.064 -21.868 1.00 0.00 H new ATOM 0 HB VAL A 90 13.313 9.587 -21.192 1.00 0.00 H new ATOM 0 HG11 VAL A 90 14.174 8.919 -18.894 1.00 0.00 H new ATOM 0 HG12 VAL A 90 14.485 7.656 -20.108 1.00 0.00 H new ATOM 0 HG13 VAL A 90 15.802 8.735 -19.591 1.00 0.00 H new ATOM 0 HG21 VAL A 90 14.014 11.248 -19.493 1.00 0.00 H new ATOM 0 HG22 VAL A 90 15.664 11.212 -20.160 1.00 0.00 H new ATOM 0 HG23 VAL A 90 14.314 11.805 -21.156 1.00 0.00 H new ATOM 1366 N TYR A 91 15.331 7.020 -23.074 1.00 0.00 N ATOM 1367 CA TYR A 91 14.994 5.887 -23.934 1.00 0.00 C ATOM 1368 C TYR A 91 15.773 4.664 -23.455 1.00 0.00 C ATOM 1369 O TYR A 91 16.559 4.786 -22.519 1.00 0.00 O ATOM 1370 CB TYR A 91 15.361 6.234 -25.390 1.00 0.00 C ATOM 1371 CG TYR A 91 16.847 6.192 -25.734 1.00 0.00 C ATOM 1372 CD1 TYR A 91 17.773 7.034 -25.082 1.00 0.00 C ATOM 1373 CD2 TYR A 91 17.306 5.285 -26.709 1.00 0.00 C ATOM 1374 CE1 TYR A 91 19.144 6.946 -25.376 1.00 0.00 C ATOM 1375 CE2 TYR A 91 18.675 5.201 -27.021 1.00 0.00 C ATOM 1376 CZ TYR A 91 19.602 6.031 -26.348 1.00 0.00 C ATOM 1377 OH TYR A 91 20.936 5.953 -26.618 1.00 0.00 O ATOM 0 H TYR A 91 16.216 6.904 -22.581 1.00 0.00 H new ATOM 0 HA TYR A 91 13.927 5.670 -23.887 1.00 0.00 H new ATOM 0 HB2 TYR A 91 14.836 5.544 -26.050 1.00 0.00 H new ATOM 0 HB3 TYR A 91 14.986 7.233 -25.610 1.00 0.00 H new ATOM 0 HD1 TYR A 91 17.426 7.751 -24.352 1.00 0.00 H new ATOM 0 HD2 TYR A 91 16.600 4.648 -27.222 1.00 0.00 H new ATOM 0 HE1 TYR A 91 19.848 7.579 -24.857 1.00 0.00 H new ATOM 0 HE2 TYR A 91 19.017 4.505 -27.772 1.00 0.00 H new ATOM 0 HH TYR A 91 21.091 5.276 -27.309 1.00 0.00 H new ATOM 1387 N GLY A 92 15.619 3.499 -24.087 1.00 0.00 N ATOM 1388 CA GLY A 92 16.486 2.357 -23.826 1.00 0.00 C ATOM 1389 C GLY A 92 15.727 1.119 -23.373 1.00 0.00 C ATOM 1390 O GLY A 92 14.511 1.005 -23.549 1.00 0.00 O ATOM 0 H GLY A 92 14.897 3.325 -24.786 1.00 0.00 H new ATOM 0 HA2 GLY A 92 17.047 2.121 -24.730 1.00 0.00 H new ATOM 0 HA3 GLY A 92 17.214 2.629 -23.062 1.00 0.00 H new ATOM 1394 N TYR A 93 16.485 0.187 -22.800 1.00 0.00 N ATOM 1395 CA TYR A 93 16.066 -1.132 -22.356 1.00 0.00 C ATOM 1396 C TYR A 93 17.014 -1.554 -21.225 1.00 0.00 C ATOM 1397 O TYR A 93 18.103 -0.989 -21.087 1.00 0.00 O ATOM 1398 CB TYR A 93 16.162 -2.086 -23.562 1.00 0.00 C ATOM 1399 CG TYR A 93 15.913 -3.552 -23.268 1.00 0.00 C ATOM 1400 CD1 TYR A 93 14.601 -4.011 -23.057 1.00 0.00 C ATOM 1401 CD2 TYR A 93 16.992 -4.455 -23.210 1.00 0.00 C ATOM 1402 CE1 TYR A 93 14.362 -5.367 -22.772 1.00 0.00 C ATOM 1403 CE2 TYR A 93 16.760 -5.814 -22.936 1.00 0.00 C ATOM 1404 CZ TYR A 93 15.444 -6.277 -22.705 1.00 0.00 C ATOM 1405 OH TYR A 93 15.234 -7.596 -22.436 1.00 0.00 O ATOM 0 H TYR A 93 17.476 0.349 -22.623 1.00 0.00 H new ATOM 0 HA TYR A 93 15.041 -1.146 -21.984 1.00 0.00 H new ATOM 0 HB2 TYR A 93 15.446 -1.760 -24.316 1.00 0.00 H new ATOM 0 HB3 TYR A 93 17.155 -1.987 -24.001 1.00 0.00 H new ATOM 0 HD1 TYR A 93 13.773 -3.319 -23.114 1.00 0.00 H new ATOM 0 HD2 TYR A 93 17.999 -4.103 -23.376 1.00 0.00 H new ATOM 0 HE1 TYR A 93 13.353 -5.714 -22.604 1.00 0.00 H new ATOM 0 HE2 TYR A 93 17.589 -6.506 -22.902 1.00 0.00 H new ATOM 0 HH TYR A 93 16.092 -8.069 -22.431 1.00 0.00 H new ATOM 1415 N SER A 94 16.640 -2.576 -20.455 1.00 0.00 N ATOM 1416 CA SER A 94 17.497 -3.236 -19.485 1.00 0.00 C ATOM 1417 C SER A 94 17.280 -4.731 -19.668 1.00 0.00 C ATOM 1418 O SER A 94 16.141 -5.197 -19.610 1.00 0.00 O ATOM 1419 CB SER A 94 17.127 -2.785 -18.068 1.00 0.00 C ATOM 1420 OG SER A 94 17.956 -3.440 -17.119 1.00 0.00 O ATOM 0 H SER A 94 15.702 -2.975 -20.495 1.00 0.00 H new ATOM 0 HA SER A 94 18.547 -2.984 -19.633 1.00 0.00 H new ATOM 0 HB2 SER A 94 17.242 -1.705 -17.979 1.00 0.00 H new ATOM 0 HB3 SER A 94 16.080 -3.012 -17.867 1.00 0.00 H new ATOM 0 HG SER A 94 18.771 -2.914 -16.978 1.00 0.00 H new ATOM 1426 N MET A 95 18.360 -5.495 -19.847 1.00 0.00 N ATOM 1427 CA MET A 95 18.281 -6.952 -19.838 1.00 0.00 C ATOM 1428 C MET A 95 17.811 -7.448 -18.462 1.00 0.00 C ATOM 1429 O MET A 95 17.147 -8.482 -18.372 1.00 0.00 O ATOM 1430 CB MET A 95 19.656 -7.533 -20.218 1.00 0.00 C ATOM 1431 CG MET A 95 19.641 -9.052 -20.436 1.00 0.00 C ATOM 1432 SD MET A 95 18.552 -9.661 -21.759 1.00 0.00 S ATOM 1433 CE MET A 95 19.439 -9.070 -23.228 1.00 0.00 C ATOM 0 H MET A 95 19.299 -5.126 -20.000 1.00 0.00 H new ATOM 0 HA MET A 95 17.550 -7.292 -20.571 1.00 0.00 H new ATOM 0 HB2 MET A 95 20.008 -7.047 -21.128 1.00 0.00 H new ATOM 0 HB3 MET A 95 20.372 -7.294 -19.432 1.00 0.00 H new ATOM 0 HG2 MET A 95 20.659 -9.377 -20.653 1.00 0.00 H new ATOM 0 HG3 MET A 95 19.346 -9.530 -19.502 1.00 0.00 H new ATOM 0 HE1 MET A 95 18.914 -9.396 -24.126 1.00 0.00 H new ATOM 0 HE2 MET A 95 19.487 -7.981 -23.211 1.00 0.00 H new ATOM 0 HE3 MET A 95 20.450 -9.477 -23.231 1.00 0.00 H new ATOM 1443 N ALA A 96 18.137 -6.713 -17.389 1.00 0.00 N ATOM 1444 CA ALA A 96 17.825 -7.114 -16.027 1.00 0.00 C ATOM 1445 C ALA A 96 16.377 -6.796 -15.642 1.00 0.00 C ATOM 1446 O ALA A 96 15.768 -7.596 -14.928 1.00 0.00 O ATOM 1447 CB ALA A 96 18.781 -6.404 -15.061 1.00 0.00 C ATOM 0 H ALA A 96 18.627 -5.821 -17.452 1.00 0.00 H new ATOM 0 HA ALA A 96 17.948 -8.195 -15.964 1.00 0.00 H new ATOM 0 HB1 ALA A 96 18.551 -6.701 -14.038 1.00 0.00 H new ATOM 0 HB2 ALA A 96 19.809 -6.680 -15.297 1.00 0.00 H new ATOM 0 HB3 ALA A 96 18.664 -5.325 -15.160 1.00 0.00 H new ATOM 1453 N TYR A 97 15.815 -5.675 -16.119 1.00 0.00 N ATOM 1454 CA TYR A 97 14.531 -5.159 -15.619 1.00 0.00 C ATOM 1455 C TYR A 97 13.512 -4.789 -16.706 1.00 0.00 C ATOM 1456 O TYR A 97 12.401 -4.373 -16.372 1.00 0.00 O ATOM 1457 CB TYR A 97 14.804 -3.939 -14.718 1.00 0.00 C ATOM 1458 CG TYR A 97 15.868 -4.115 -13.645 1.00 0.00 C ATOM 1459 CD1 TYR A 97 15.856 -5.245 -12.803 1.00 0.00 C ATOM 1460 CD2 TYR A 97 16.860 -3.128 -13.473 1.00 0.00 C ATOM 1461 CE1 TYR A 97 16.842 -5.409 -11.815 1.00 0.00 C ATOM 1462 CE2 TYR A 97 17.837 -3.275 -12.473 1.00 0.00 C ATOM 1463 CZ TYR A 97 17.833 -4.417 -11.638 1.00 0.00 C ATOM 1464 OH TYR A 97 18.774 -4.549 -10.662 1.00 0.00 O ATOM 0 H TYR A 97 16.232 -5.105 -16.855 1.00 0.00 H new ATOM 0 HA TYR A 97 14.069 -5.976 -15.064 1.00 0.00 H new ATOM 0 HB2 TYR A 97 15.095 -3.103 -15.354 1.00 0.00 H new ATOM 0 HB3 TYR A 97 13.870 -3.659 -14.231 1.00 0.00 H new ATOM 0 HD1 TYR A 97 15.083 -5.991 -12.918 1.00 0.00 H new ATOM 0 HD2 TYR A 97 16.869 -2.257 -14.111 1.00 0.00 H new ATOM 0 HE1 TYR A 97 16.842 -6.291 -11.192 1.00 0.00 H new ATOM 0 HE2 TYR A 97 18.592 -2.514 -12.342 1.00 0.00 H new ATOM 0 HH TYR A 97 19.478 -5.160 -10.966 1.00 0.00 H new ATOM 1474 N GLY A 98 13.850 -4.929 -17.988 1.00 0.00 N ATOM 1475 CA GLY A 98 13.020 -4.455 -19.090 1.00 0.00 C ATOM 1476 C GLY A 98 13.122 -2.935 -19.263 1.00 0.00 C ATOM 1477 O GLY A 98 13.833 -2.260 -18.508 1.00 0.00 O ATOM 0 H GLY A 98 14.714 -5.378 -18.291 1.00 0.00 H new ATOM 0 HA2 GLY A 98 13.325 -4.948 -20.013 1.00 0.00 H new ATOM 0 HA3 GLY A 98 11.981 -4.732 -18.909 1.00 0.00 H new ATOM 1481 N PRO A 99 12.450 -2.372 -20.280 1.00 0.00 N ATOM 1482 CA PRO A 99 12.474 -0.941 -20.534 1.00 0.00 C ATOM 1483 C PRO A 99 11.677 -0.219 -19.443 1.00 0.00 C ATOM 1484 O PRO A 99 10.600 -0.669 -19.040 1.00 0.00 O ATOM 1485 CB PRO A 99 11.848 -0.770 -21.920 1.00 0.00 C ATOM 1486 CG PRO A 99 10.871 -1.942 -22.024 1.00 0.00 C ATOM 1487 CD PRO A 99 11.519 -3.043 -21.179 1.00 0.00 C ATOM 0 HA PRO A 99 13.477 -0.515 -20.514 1.00 0.00 H new ATOM 0 HB2 PRO A 99 11.336 0.188 -22.013 1.00 0.00 H new ATOM 0 HB3 PRO A 99 12.601 -0.806 -22.707 1.00 0.00 H new ATOM 0 HG2 PRO A 99 9.885 -1.675 -21.643 1.00 0.00 H new ATOM 0 HG3 PRO A 99 10.737 -2.259 -23.058 1.00 0.00 H new ATOM 0 HD2 PRO A 99 10.766 -3.596 -20.617 1.00 0.00 H new ATOM 0 HD3 PRO A 99 12.039 -3.763 -21.811 1.00 0.00 H new ATOM 1495 N ALA A 100 12.201 0.907 -18.963 1.00 0.00 N ATOM 1496 CA ALA A 100 11.459 1.779 -18.067 1.00 0.00 C ATOM 1497 C ALA A 100 10.313 2.472 -18.808 1.00 0.00 C ATOM 1498 O ALA A 100 10.333 2.612 -20.034 1.00 0.00 O ATOM 1499 CB ALA A 100 12.396 2.848 -17.517 1.00 0.00 C ATOM 0 H ALA A 100 13.142 1.234 -19.183 1.00 0.00 H new ATOM 0 HA ALA A 100 11.048 1.174 -17.259 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.844 3.505 -16.844 1.00 0.00 H new ATOM 0 HB2 ALA A 100 13.211 2.372 -16.972 1.00 0.00 H new ATOM 0 HB3 ALA A 100 12.804 3.433 -18.341 1.00 0.00 H new ATOM 1505 N GLN A 101 9.339 2.972 -18.044 1.00 0.00 N ATOM 1506 CA GLN A 101 8.305 3.855 -18.559 1.00 0.00 C ATOM 1507 C GLN A 101 8.908 5.257 -18.592 1.00 0.00 C ATOM 1508 O GLN A 101 8.645 6.072 -17.707 1.00 0.00 O ATOM 1509 CB GLN A 101 7.037 3.818 -17.691 1.00 0.00 C ATOM 1510 CG GLN A 101 6.334 2.462 -17.646 1.00 0.00 C ATOM 1511 CD GLN A 101 5.940 1.937 -19.029 1.00 0.00 C ATOM 1512 OE1 GLN A 101 6.541 1.003 -19.552 1.00 0.00 O ATOM 1513 NE2 GLN A 101 4.937 2.528 -19.661 1.00 0.00 N ATOM 0 H GLN A 101 9.250 2.771 -17.048 1.00 0.00 H new ATOM 0 HA GLN A 101 7.993 3.537 -19.554 1.00 0.00 H new ATOM 0 HB2 GLN A 101 7.300 4.109 -16.674 1.00 0.00 H new ATOM 0 HB3 GLN A 101 6.335 4.564 -18.065 1.00 0.00 H new ATOM 0 HG2 GLN A 101 6.989 1.737 -17.163 1.00 0.00 H new ATOM 0 HG3 GLN A 101 5.440 2.545 -17.028 1.00 0.00 H new ATOM 0 HE21 GLN A 101 4.442 3.303 -19.220 1.00 0.00 H new ATOM 0 HE22 GLN A 101 4.659 2.208 -20.589 1.00 0.00 H new ATOM 1522 N HIS A 102 9.738 5.541 -19.595 1.00 0.00 N ATOM 1523 CA HIS A 102 10.394 6.838 -19.749 1.00 0.00 C ATOM 1524 C HIS A 102 9.390 8.006 -19.760 1.00 0.00 C ATOM 1525 O HIS A 102 9.769 9.124 -19.428 1.00 0.00 O ATOM 1526 CB HIS A 102 11.246 6.828 -21.021 1.00 0.00 C ATOM 1527 CG HIS A 102 12.196 5.662 -21.120 1.00 0.00 C ATOM 1528 ND1 HIS A 102 12.137 4.607 -22.005 1.00 0.00 N ATOM 1529 CD2 HIS A 102 13.202 5.389 -20.240 1.00 0.00 C ATOM 1530 CE1 HIS A 102 13.059 3.705 -21.622 1.00 0.00 C ATOM 1531 NE2 HIS A 102 13.764 4.155 -20.574 1.00 0.00 N ATOM 0 H HIS A 102 9.975 4.873 -20.328 1.00 0.00 H new ATOM 0 HA HIS A 102 11.037 6.998 -18.883 1.00 0.00 H new ATOM 0 HB2 HIS A 102 10.585 6.818 -21.887 1.00 0.00 H new ATOM 0 HB3 HIS A 102 11.819 7.754 -21.068 1.00 0.00 H new ATOM 0 HD1 HIS A 102 11.509 4.525 -22.804 1.00 0.00 H new ATOM 0 HD2 HIS A 102 13.512 6.022 -19.422 1.00 0.00 H new ATOM 0 HE1 HIS A 102 13.211 2.746 -22.096 1.00 0.00 H new ATOM 1539 N ALA A 103 8.113 7.745 -20.076 1.00 0.00 N ATOM 1540 CA ALA A 103 7.004 8.682 -19.933 1.00 0.00 C ATOM 1541 C ALA A 103 6.905 9.280 -18.518 1.00 0.00 C ATOM 1542 O ALA A 103 6.667 10.480 -18.366 1.00 0.00 O ATOM 1543 CB ALA A 103 5.702 7.940 -20.259 1.00 0.00 C ATOM 0 H ALA A 103 7.821 6.843 -20.451 1.00 0.00 H new ATOM 0 HA ALA A 103 7.176 9.512 -20.618 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.859 8.623 -20.158 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.744 7.564 -21.281 1.00 0.00 H new ATOM 0 HB3 ALA A 103 5.577 7.105 -19.570 1.00 0.00 H new ATOM 1549 N ILE A 104 7.075 8.449 -17.483 1.00 0.00 N ATOM 1550 CA ILE A 104 7.032 8.872 -16.083 1.00 0.00 C ATOM 1551 C ILE A 104 8.155 9.889 -15.877 1.00 0.00 C ATOM 1552 O ILE A 104 7.946 10.968 -15.317 1.00 0.00 O ATOM 1553 CB ILE A 104 7.213 7.649 -15.144 1.00 0.00 C ATOM 1554 CG1 ILE A 104 6.207 6.502 -15.394 1.00 0.00 C ATOM 1555 CG2 ILE A 104 7.187 8.063 -13.662 1.00 0.00 C ATOM 1556 CD1 ILE A 104 4.767 6.762 -14.953 1.00 0.00 C ATOM 0 H ILE A 104 7.249 7.451 -17.599 1.00 0.00 H new ATOM 0 HA ILE A 104 6.068 9.323 -15.845 1.00 0.00 H new ATOM 0 HB ILE A 104 8.198 7.253 -15.391 1.00 0.00 H new ATOM 0 HG12 ILE A 104 6.204 6.275 -16.460 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.568 5.611 -14.880 1.00 0.00 H new ATOM 0 HG21 ILE A 104 7.317 7.181 -13.035 1.00 0.00 H new ATOM 0 HG22 ILE A 104 7.995 8.768 -13.467 1.00 0.00 H new ATOM 0 HG23 ILE A 104 6.231 8.534 -13.432 1.00 0.00 H new ATOM 0 HD11 ILE A 104 4.154 5.889 -15.178 1.00 0.00 H new ATOM 0 HD12 ILE A 104 4.744 6.954 -13.880 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.374 7.628 -15.485 1.00 0.00 H new ATOM 1568 N SER A 105 9.347 9.540 -16.359 1.00 0.00 N ATOM 1569 CA SER A 105 10.537 10.346 -16.231 1.00 0.00 C ATOM 1570 C SER A 105 10.367 11.691 -16.920 1.00 0.00 C ATOM 1571 O SER A 105 10.619 12.711 -16.290 1.00 0.00 O ATOM 1572 CB SER A 105 11.713 9.559 -16.802 1.00 0.00 C ATOM 1573 OG SER A 105 11.710 8.265 -16.217 1.00 0.00 O ATOM 0 H SER A 105 9.505 8.666 -16.860 1.00 0.00 H new ATOM 0 HA SER A 105 10.727 10.564 -15.180 1.00 0.00 H new ATOM 0 HB2 SER A 105 11.630 9.486 -17.886 1.00 0.00 H new ATOM 0 HB3 SER A 105 12.652 10.070 -16.588 1.00 0.00 H new ATOM 0 HG SER A 105 12.111 8.309 -15.324 1.00 0.00 H new ATOM 1579 N THR A 106 9.905 11.722 -18.169 1.00 0.00 N ATOM 1580 CA THR A 106 9.725 12.979 -18.882 1.00 0.00 C ATOM 1581 C THR A 106 8.752 13.910 -18.155 1.00 0.00 C ATOM 1582 O THR A 106 9.042 15.100 -18.059 1.00 0.00 O ATOM 1583 CB THR A 106 9.326 12.747 -20.348 1.00 0.00 C ATOM 1584 OG1 THR A 106 8.336 11.751 -20.499 1.00 0.00 O ATOM 1585 CG2 THR A 106 10.534 12.292 -21.165 1.00 0.00 C ATOM 0 H THR A 106 9.650 10.892 -18.704 1.00 0.00 H new ATOM 0 HA THR A 106 10.690 13.486 -18.896 1.00 0.00 H new ATOM 0 HB THR A 106 8.934 13.702 -20.698 1.00 0.00 H new ATOM 0 HG1 THR A 106 7.860 11.632 -19.651 1.00 0.00 H new ATOM 0 HG21 THR A 106 10.234 12.132 -22.201 1.00 0.00 H new ATOM 0 HG22 THR A 106 11.309 13.058 -21.126 1.00 0.00 H new ATOM 0 HG23 THR A 106 10.923 11.361 -20.752 1.00 0.00 H new ATOM 1593 N GLU A 107 7.650 13.402 -17.588 1.00 0.00 N ATOM 1594 CA GLU A 107 6.721 14.244 -16.841 1.00 0.00 C ATOM 1595 C GLU A 107 7.410 14.832 -15.604 1.00 0.00 C ATOM 1596 O GLU A 107 7.335 16.040 -15.369 1.00 0.00 O ATOM 1597 CB GLU A 107 5.460 13.455 -16.449 1.00 0.00 C ATOM 1598 CG GLU A 107 4.527 13.235 -17.648 1.00 0.00 C ATOM 1599 CD GLU A 107 3.214 12.551 -17.225 1.00 0.00 C ATOM 1600 OE1 GLU A 107 2.260 13.257 -16.826 1.00 0.00 O ATOM 1601 OE2 GLU A 107 3.106 11.306 -17.307 1.00 0.00 O ATOM 0 H GLU A 107 7.385 12.418 -17.634 1.00 0.00 H new ATOM 0 HA GLU A 107 6.410 15.068 -17.483 1.00 0.00 H new ATOM 0 HB2 GLU A 107 5.750 12.490 -16.033 1.00 0.00 H new ATOM 0 HB3 GLU A 107 4.925 13.992 -15.666 1.00 0.00 H new ATOM 0 HG2 GLU A 107 4.304 14.193 -18.117 1.00 0.00 H new ATOM 0 HG3 GLU A 107 5.032 12.624 -18.396 1.00 0.00 H new ATOM 1608 N LYS A 108 8.122 14.003 -14.831 1.00 0.00 N ATOM 1609 CA LYS A 108 8.801 14.454 -13.616 1.00 0.00 C ATOM 1610 C LYS A 108 9.908 15.452 -13.938 1.00 0.00 C ATOM 1611 O LYS A 108 10.023 16.478 -13.268 1.00 0.00 O ATOM 1612 CB LYS A 108 9.371 13.242 -12.865 1.00 0.00 C ATOM 1613 CG LYS A 108 8.272 12.409 -12.200 1.00 0.00 C ATOM 1614 CD LYS A 108 8.856 11.130 -11.589 1.00 0.00 C ATOM 1615 CE LYS A 108 7.786 10.431 -10.744 1.00 0.00 C ATOM 1616 NZ LYS A 108 7.670 11.044 -9.401 1.00 0.00 N ATOM 0 H LYS A 108 8.242 13.010 -15.030 1.00 0.00 H new ATOM 0 HA LYS A 108 8.075 14.962 -12.982 1.00 0.00 H new ATOM 0 HB2 LYS A 108 9.930 12.615 -13.560 1.00 0.00 H new ATOM 0 HB3 LYS A 108 10.075 13.584 -12.107 1.00 0.00 H new ATOM 0 HG2 LYS A 108 7.782 12.997 -11.424 1.00 0.00 H new ATOM 0 HG3 LYS A 108 7.509 12.151 -12.935 1.00 0.00 H new ATOM 0 HD2 LYS A 108 9.204 10.463 -12.378 1.00 0.00 H new ATOM 0 HD3 LYS A 108 9.721 11.372 -10.972 1.00 0.00 H new ATOM 0 HE2 LYS A 108 6.824 10.486 -11.254 1.00 0.00 H new ATOM 0 HE3 LYS A 108 8.034 9.374 -10.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 6.670 11.066 -9.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 8.214 10.483 -8.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 8.044 12.014 -9.429 1.00 0.00 H new ATOM 1630 N ILE A 109 10.720 15.169 -14.953 1.00 0.00 N ATOM 1631 CA ILE A 109 11.816 16.029 -15.372 1.00 0.00 C ATOM 1632 C ILE A 109 11.218 17.351 -15.867 1.00 0.00 C ATOM 1633 O ILE A 109 11.653 18.402 -15.407 1.00 0.00 O ATOM 1634 CB ILE A 109 12.691 15.285 -16.414 1.00 0.00 C ATOM 1635 CG1 ILE A 109 13.418 14.073 -15.774 1.00 0.00 C ATOM 1636 CG2 ILE A 109 13.757 16.197 -17.049 1.00 0.00 C ATOM 1637 CD1 ILE A 109 13.990 13.091 -16.810 1.00 0.00 C ATOM 0 H ILE A 109 10.631 14.322 -15.514 1.00 0.00 H new ATOM 0 HA ILE A 109 12.490 16.272 -14.550 1.00 0.00 H new ATOM 0 HB ILE A 109 12.003 14.949 -17.190 1.00 0.00 H new ATOM 0 HG12 ILE A 109 14.228 14.436 -15.142 1.00 0.00 H new ATOM 0 HG13 ILE A 109 12.722 13.541 -15.125 1.00 0.00 H new ATOM 0 HG21 ILE A 109 14.341 15.626 -17.771 1.00 0.00 H new ATOM 0 HG22 ILE A 109 13.269 17.030 -17.555 1.00 0.00 H new ATOM 0 HG23 ILE A 109 14.417 16.582 -16.271 1.00 0.00 H new ATOM 0 HD11 ILE A 109 14.485 12.267 -16.296 1.00 0.00 H new ATOM 0 HD12 ILE A 109 13.181 12.700 -17.426 1.00 0.00 H new ATOM 0 HD13 ILE A 109 14.710 13.609 -17.443 1.00 0.00 H new ATOM 1649 N LYS A 110 10.184 17.349 -16.719 1.00 0.00 N ATOM 1650 CA LYS A 110 9.567 18.604 -17.158 1.00 0.00 C ATOM 1651 C LYS A 110 8.999 19.396 -15.976 1.00 0.00 C ATOM 1652 O LYS A 110 9.070 20.620 -16.003 1.00 0.00 O ATOM 1653 CB LYS A 110 8.488 18.371 -18.230 1.00 0.00 C ATOM 1654 CG LYS A 110 9.098 18.057 -19.609 1.00 0.00 C ATOM 1655 CD LYS A 110 8.057 17.972 -20.738 1.00 0.00 C ATOM 1656 CE LYS A 110 7.368 19.330 -20.978 1.00 0.00 C ATOM 1657 NZ LYS A 110 6.578 19.371 -22.234 1.00 0.00 N ATOM 0 H LYS A 110 9.764 16.506 -17.112 1.00 0.00 H new ATOM 0 HA LYS A 110 10.358 19.200 -17.613 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.845 17.547 -17.923 1.00 0.00 H new ATOM 0 HB3 LYS A 110 7.857 19.256 -18.307 1.00 0.00 H new ATOM 0 HG2 LYS A 110 9.829 18.826 -19.857 1.00 0.00 H new ATOM 0 HG3 LYS A 110 9.637 17.112 -19.552 1.00 0.00 H new ATOM 0 HD2 LYS A 110 8.542 17.642 -21.657 1.00 0.00 H new ATOM 0 HD3 LYS A 110 7.307 17.222 -20.486 1.00 0.00 H new ATOM 0 HE2 LYS A 110 6.712 19.551 -20.136 1.00 0.00 H new ATOM 0 HE3 LYS A 110 8.125 20.114 -21.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 5.691 19.889 -22.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.128 19.852 -22.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 6.361 18.401 -22.539 1.00 0.00 H new ATOM 1671 N ALA A 111 8.471 18.741 -14.937 1.00 0.00 N ATOM 1672 CA ALA A 111 7.987 19.438 -13.749 1.00 0.00 C ATOM 1673 C ALA A 111 9.133 20.115 -12.978 1.00 0.00 C ATOM 1674 O ALA A 111 8.968 21.244 -12.513 1.00 0.00 O ATOM 1675 CB ALA A 111 7.222 18.466 -12.843 1.00 0.00 C ATOM 0 H ALA A 111 8.369 17.727 -14.898 1.00 0.00 H new ATOM 0 HA ALA A 111 7.309 20.226 -14.076 1.00 0.00 H new ATOM 0 HB1 ALA A 111 6.865 18.996 -11.960 1.00 0.00 H new ATOM 0 HB2 ALA A 111 6.372 18.054 -13.387 1.00 0.00 H new ATOM 0 HB3 ALA A 111 7.884 17.656 -12.537 1.00 0.00 H new ATOM 1681 N LYS A 112 10.286 19.448 -12.825 1.00 0.00 N ATOM 1682 CA LYS A 112 11.429 19.978 -12.064 1.00 0.00 C ATOM 1683 C LYS A 112 12.323 20.911 -12.897 1.00 0.00 C ATOM 1684 O LYS A 112 13.132 21.641 -12.324 1.00 0.00 O ATOM 1685 CB LYS A 112 12.239 18.819 -11.440 1.00 0.00 C ATOM 1686 CG LYS A 112 11.902 18.593 -9.954 1.00 0.00 C ATOM 1687 CD LYS A 112 10.475 18.106 -9.651 1.00 0.00 C ATOM 1688 CE LYS A 112 10.298 16.621 -9.996 1.00 0.00 C ATOM 1689 NZ LYS A 112 8.965 16.100 -9.597 1.00 0.00 N ATOM 0 H LYS A 112 10.453 18.525 -13.225 1.00 0.00 H new ATOM 0 HA LYS A 112 11.026 20.595 -11.261 1.00 0.00 H new ATOM 0 HB2 LYS A 112 12.043 17.903 -11.997 1.00 0.00 H new ATOM 0 HB3 LYS A 112 13.304 19.030 -11.539 1.00 0.00 H new ATOM 0 HG2 LYS A 112 12.606 17.866 -9.549 1.00 0.00 H new ATOM 0 HG3 LYS A 112 12.066 19.528 -9.419 1.00 0.00 H new ATOM 0 HD2 LYS A 112 10.253 18.264 -8.596 1.00 0.00 H new ATOM 0 HD3 LYS A 112 9.759 18.700 -10.220 1.00 0.00 H new ATOM 0 HE2 LYS A 112 10.433 16.482 -11.069 1.00 0.00 H new ATOM 0 HE3 LYS A 112 11.075 16.041 -9.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 9.039 15.085 -9.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 8.631 16.609 -8.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 8.290 16.240 -10.376 1.00 0.00 H new ATOM 1703 N TYR A 113 12.196 20.888 -14.223 1.00 0.00 N ATOM 1704 CA TYR A 113 13.058 21.563 -15.188 1.00 0.00 C ATOM 1705 C TYR A 113 14.586 21.356 -15.005 1.00 0.00 C ATOM 1706 O TYR A 113 15.322 22.348 -15.043 1.00 0.00 O ATOM 1707 CB TYR A 113 12.662 23.049 -15.316 1.00 0.00 C ATOM 1708 CG TYR A 113 11.240 23.307 -15.780 1.00 0.00 C ATOM 1709 CD1 TYR A 113 10.932 23.236 -17.152 1.00 0.00 C ATOM 1710 CD2 TYR A 113 10.238 23.653 -14.852 1.00 0.00 C ATOM 1711 CE1 TYR A 113 9.628 23.506 -17.602 1.00 0.00 C ATOM 1712 CE2 TYR A 113 8.930 23.922 -15.293 1.00 0.00 C ATOM 1713 CZ TYR A 113 8.618 23.847 -16.671 1.00 0.00 C ATOM 1714 OH TYR A 113 7.347 24.113 -17.088 1.00 0.00 O ATOM 0 H TYR A 113 11.445 20.368 -14.677 1.00 0.00 H new ATOM 0 HA TYR A 113 12.871 21.062 -16.138 1.00 0.00 H new ATOM 0 HB2 TYR A 113 12.803 23.530 -14.348 1.00 0.00 H new ATOM 0 HB3 TYR A 113 13.347 23.531 -16.014 1.00 0.00 H new ATOM 0 HD1 TYR A 113 11.702 22.973 -17.862 1.00 0.00 H new ATOM 0 HD2 TYR A 113 10.475 23.712 -13.800 1.00 0.00 H new ATOM 0 HE1 TYR A 113 9.397 23.453 -18.656 1.00 0.00 H new ATOM 0 HE2 TYR A 113 8.163 24.186 -14.580 1.00 0.00 H new ATOM 0 HH TYR A 113 6.787 24.328 -16.313 1.00 0.00 H new ATOM 1724 N PRO A 114 15.130 20.130 -14.798 1.00 0.00 N ATOM 1725 CA PRO A 114 16.580 19.913 -14.877 1.00 0.00 C ATOM 1726 C PRO A 114 17.130 20.287 -16.267 1.00 0.00 C ATOM 1727 O PRO A 114 18.317 20.582 -16.411 1.00 0.00 O ATOM 1728 CB PRO A 114 16.822 18.420 -14.613 1.00 0.00 C ATOM 1729 CG PRO A 114 15.540 17.955 -13.936 1.00 0.00 C ATOM 1730 CD PRO A 114 14.479 18.854 -14.563 1.00 0.00 C ATOM 0 HA PRO A 114 17.091 20.541 -14.147 1.00 0.00 H new ATOM 0 HB2 PRO A 114 17.005 17.875 -15.539 1.00 0.00 H new ATOM 0 HB3 PRO A 114 17.691 18.263 -13.974 1.00 0.00 H new ATOM 0 HG2 PRO A 114 15.341 16.901 -14.128 1.00 0.00 H new ATOM 0 HG3 PRO A 114 15.587 18.079 -12.854 1.00 0.00 H new ATOM 0 HD2 PRO A 114 14.106 18.428 -15.494 1.00 0.00 H new ATOM 0 HD3 PRO A 114 13.622 18.969 -13.899 1.00 0.00 H new ATOM 1738 N ASP A 115 16.274 20.268 -17.293 1.00 0.00 N ATOM 1739 CA ASP A 115 16.509 20.772 -18.642 1.00 0.00 C ATOM 1740 C ASP A 115 15.219 21.491 -19.063 1.00 0.00 C ATOM 1741 O ASP A 115 14.176 21.304 -18.426 1.00 0.00 O ATOM 1742 CB ASP A 115 16.866 19.616 -19.598 1.00 0.00 C ATOM 1743 CG ASP A 115 17.374 20.085 -20.974 1.00 0.00 C ATOM 1744 OD1 ASP A 115 17.662 21.293 -21.144 1.00 0.00 O ATOM 1745 OD2 ASP A 115 17.558 19.230 -21.867 1.00 0.00 O ATOM 0 H ASP A 115 15.339 19.874 -17.193 1.00 0.00 H new ATOM 0 HA ASP A 115 17.354 21.460 -18.675 1.00 0.00 H new ATOM 0 HB2 ASP A 115 17.629 18.993 -19.132 1.00 0.00 H new ATOM 0 HB3 ASP A 115 15.986 18.989 -19.740 1.00 0.00 H new ATOM 1750 N TYR A 116 15.280 22.336 -20.094 1.00 0.00 N ATOM 1751 CA TYR A 116 14.171 23.196 -20.511 1.00 0.00 C ATOM 1752 C TYR A 116 12.933 22.374 -20.893 1.00 0.00 C ATOM 1753 O TYR A 116 11.804 22.745 -20.568 1.00 0.00 O ATOM 1754 CB TYR A 116 14.632 24.072 -21.685 1.00 0.00 C ATOM 1755 CG TYR A 116 13.570 25.030 -22.195 1.00 0.00 C ATOM 1756 CD1 TYR A 116 13.328 26.240 -21.517 1.00 0.00 C ATOM 1757 CD2 TYR A 116 12.813 24.705 -23.339 1.00 0.00 C ATOM 1758 CE1 TYR A 116 12.337 27.124 -21.978 1.00 0.00 C ATOM 1759 CE2 TYR A 116 11.818 25.583 -23.805 1.00 0.00 C ATOM 1760 CZ TYR A 116 11.575 26.800 -23.125 1.00 0.00 C ATOM 1761 OH TYR A 116 10.617 27.666 -23.561 1.00 0.00 O ATOM 0 H TYR A 116 16.114 22.444 -20.671 1.00 0.00 H new ATOM 0 HA TYR A 116 13.883 23.831 -19.674 1.00 0.00 H new ATOM 0 HB2 TYR A 116 15.506 24.646 -21.376 1.00 0.00 H new ATOM 0 HB3 TYR A 116 14.948 23.426 -22.504 1.00 0.00 H new ATOM 0 HD1 TYR A 116 13.906 26.490 -20.640 1.00 0.00 H new ATOM 0 HD2 TYR A 116 12.998 23.777 -23.860 1.00 0.00 H new ATOM 0 HE1 TYR A 116 12.157 28.052 -21.456 1.00 0.00 H new ATOM 0 HE2 TYR A 116 11.240 25.329 -24.681 1.00 0.00 H new ATOM 0 HH TYR A 116 10.184 27.299 -24.360 1.00 0.00 H new ATOM 1771 N GLU A 117 13.151 21.238 -21.554 1.00 0.00 N ATOM 1772 CA GLU A 117 12.163 20.222 -21.880 1.00 0.00 C ATOM 1773 C GLU A 117 12.951 18.916 -22.061 1.00 0.00 C ATOM 1774 O GLU A 117 14.175 18.955 -22.195 1.00 0.00 O ATOM 1775 CB GLU A 117 11.395 20.644 -23.154 1.00 0.00 C ATOM 1776 CG GLU A 117 10.353 19.608 -23.600 1.00 0.00 C ATOM 1777 CD GLU A 117 9.386 20.138 -24.663 1.00 0.00 C ATOM 1778 OE1 GLU A 117 9.836 20.429 -25.795 1.00 0.00 O ATOM 1779 OE2 GLU A 117 8.169 20.208 -24.375 1.00 0.00 O ATOM 0 H GLU A 117 14.080 20.992 -21.895 1.00 0.00 H new ATOM 0 HA GLU A 117 11.410 20.091 -21.103 1.00 0.00 H new ATOM 0 HB2 GLU A 117 10.897 21.596 -22.972 1.00 0.00 H new ATOM 0 HB3 GLU A 117 12.107 20.806 -23.963 1.00 0.00 H new ATOM 0 HG2 GLU A 117 10.868 18.731 -23.993 1.00 0.00 H new ATOM 0 HG3 GLU A 117 9.782 19.280 -22.731 1.00 0.00 H new ATOM 1786 N VAL A 118 12.266 17.772 -22.091 1.00 0.00 N ATOM 1787 CA VAL A 118 12.832 16.482 -22.465 1.00 0.00 C ATOM 1788 C VAL A 118 11.803 15.701 -23.288 1.00 0.00 C ATOM 1789 O VAL A 118 10.620 16.052 -23.303 1.00 0.00 O ATOM 1790 CB VAL A 118 13.294 15.689 -21.224 1.00 0.00 C ATOM 1791 CG1 VAL A 118 14.559 16.294 -20.611 1.00 0.00 C ATOM 1792 CG2 VAL A 118 12.211 15.581 -20.139 1.00 0.00 C ATOM 0 H VAL A 118 11.277 17.719 -21.849 1.00 0.00 H new ATOM 0 HA VAL A 118 13.720 16.644 -23.076 1.00 0.00 H new ATOM 0 HB VAL A 118 13.507 14.683 -21.587 1.00 0.00 H new ATOM 0 HG11 VAL A 118 14.856 15.711 -19.739 1.00 0.00 H new ATOM 0 HG12 VAL A 118 15.362 16.281 -21.347 1.00 0.00 H new ATOM 0 HG13 VAL A 118 14.361 17.322 -20.309 1.00 0.00 H new ATOM 0 HG21 VAL A 118 12.598 15.012 -19.294 1.00 0.00 H new ATOM 0 HG22 VAL A 118 11.929 16.580 -19.806 1.00 0.00 H new ATOM 0 HG23 VAL A 118 11.336 15.074 -20.547 1.00 0.00 H new ATOM 1802 N THR A 119 12.248 14.634 -23.950 1.00 0.00 N ATOM 1803 CA THR A 119 11.420 13.751 -24.766 1.00 0.00 C ATOM 1804 C THR A 119 11.762 12.295 -24.429 1.00 0.00 C ATOM 1805 O THR A 119 12.722 12.035 -23.695 1.00 0.00 O ATOM 1806 CB THR A 119 11.635 14.075 -26.258 1.00 0.00 C ATOM 1807 OG1 THR A 119 13.015 14.208 -26.560 1.00 0.00 O ATOM 1808 CG2 THR A 119 10.915 15.355 -26.687 1.00 0.00 C ATOM 0 H THR A 119 13.228 14.352 -23.932 1.00 0.00 H new ATOM 0 HA THR A 119 10.362 13.904 -24.551 1.00 0.00 H new ATOM 0 HB THR A 119 11.213 13.236 -26.811 1.00 0.00 H new ATOM 0 HG1 THR A 119 13.375 13.339 -26.836 1.00 0.00 H new ATOM 0 HG21 THR A 119 11.098 15.538 -27.746 1.00 0.00 H new ATOM 0 HG22 THR A 119 9.844 15.244 -26.518 1.00 0.00 H new ATOM 0 HG23 THR A 119 11.289 16.196 -26.103 1.00 0.00 H new ATOM 1816 N TRP A 120 10.989 11.335 -24.945 1.00 0.00 N ATOM 1817 CA TRP A 120 11.256 9.919 -24.727 1.00 0.00 C ATOM 1818 C TRP A 120 10.967 9.089 -25.965 1.00 0.00 C ATOM 1819 O TRP A 120 10.374 9.577 -26.932 1.00 0.00 O ATOM 1820 CB TRP A 120 10.450 9.353 -23.544 1.00 0.00 C ATOM 1821 CG TRP A 120 8.966 9.194 -23.714 1.00 0.00 C ATOM 1822 CD1 TRP A 120 8.085 10.203 -23.869 1.00 0.00 C ATOM 1823 CD2 TRP A 120 8.157 7.971 -23.727 1.00 0.00 C ATOM 1824 NE1 TRP A 120 6.799 9.708 -23.927 1.00 0.00 N ATOM 1825 CE2 TRP A 120 6.782 8.334 -23.870 1.00 0.00 C ATOM 1826 CE3 TRP A 120 8.432 6.589 -23.631 1.00 0.00 C ATOM 1827 CZ2 TRP A 120 5.748 7.387 -23.915 1.00 0.00 C ATOM 1828 CZ3 TRP A 120 7.399 5.633 -23.618 1.00 0.00 C ATOM 1829 CH2 TRP A 120 6.059 6.026 -23.771 1.00 0.00 C ATOM 0 H TRP A 120 10.168 11.520 -25.521 1.00 0.00 H new ATOM 0 HA TRP A 120 12.319 9.851 -24.494 1.00 0.00 H new ATOM 0 HB2 TRP A 120 10.864 8.376 -23.295 1.00 0.00 H new ATOM 0 HB3 TRP A 120 10.620 10.000 -22.684 1.00 0.00 H new ATOM 0 HD1 TRP A 120 8.348 11.248 -23.938 1.00 0.00 H new ATOM 0 HE1 TRP A 120 5.964 10.289 -24.003 1.00 0.00 H new ATOM 0 HE3 TRP A 120 9.458 6.258 -23.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 4.725 7.701 -24.059 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 7.639 4.588 -23.489 1.00 0.00 H new ATOM 0 HH2 TRP A 120 5.273 5.285 -23.778 1.00 0.00 H new ATOM 1840 N ALA A 121 11.355 7.817 -25.892 1.00 0.00 N ATOM 1841 CA ALA A 121 10.998 6.791 -26.844 1.00 0.00 C ATOM 1842 C ALA A 121 10.784 5.490 -26.068 1.00 0.00 C ATOM 1843 O ALA A 121 11.460 5.227 -25.068 1.00 0.00 O ATOM 1844 CB ALA A 121 12.090 6.645 -27.912 1.00 0.00 C ATOM 0 H ALA A 121 11.948 7.470 -25.138 1.00 0.00 H new ATOM 0 HA ALA A 121 10.081 7.054 -27.371 1.00 0.00 H new ATOM 0 HB1 ALA A 121 11.804 5.868 -28.621 1.00 0.00 H new ATOM 0 HB2 ALA A 121 12.211 7.591 -28.440 1.00 0.00 H new ATOM 0 HB3 ALA A 121 13.031 6.373 -27.435 1.00 0.00 H new ATOM 1850 N ASN A 122 9.812 4.691 -26.507 1.00 0.00 N ATOM 1851 CA ASN A 122 9.383 3.458 -25.841 1.00 0.00 C ATOM 1852 C ASN A 122 10.249 2.255 -26.255 1.00 0.00 C ATOM 1853 O ASN A 122 9.783 1.115 -26.271 1.00 0.00 O ATOM 1854 CB ASN A 122 7.892 3.229 -26.151 1.00 0.00 C ATOM 1855 CG ASN A 122 7.273 2.123 -25.294 1.00 0.00 C ATOM 1856 OD1 ASN A 122 7.590 1.969 -24.117 1.00 0.00 O ATOM 1857 ND2 ASN A 122 6.360 1.342 -25.849 1.00 0.00 N ATOM 0 H ASN A 122 9.286 4.887 -27.359 1.00 0.00 H new ATOM 0 HA ASN A 122 9.514 3.562 -24.764 1.00 0.00 H new ATOM 0 HB2 ASN A 122 7.345 4.158 -25.989 1.00 0.00 H new ATOM 0 HB3 ASN A 122 7.780 2.972 -27.204 1.00 0.00 H new ATOM 0 HD21 ASN A 122 5.915 0.607 -25.299 1.00 0.00 H new ATOM 0 HD22 ASN A 122 6.101 1.475 -26.827 1.00 0.00 H new ATOM 1864 N ASP A 123 11.493 2.498 -26.672 1.00 0.00 N ATOM 1865 CA ASP A 123 12.408 1.490 -27.205 1.00 0.00 C ATOM 1866 C ASP A 123 13.843 1.992 -27.027 1.00 0.00 C ATOM 1867 O ASP A 123 14.069 3.100 -26.531 1.00 0.00 O ATOM 1868 CB ASP A 123 12.120 1.253 -28.701 1.00 0.00 C ATOM 1869 CG ASP A 123 12.663 -0.072 -29.270 1.00 0.00 C ATOM 1870 OD1 ASP A 123 13.232 -0.895 -28.521 1.00 0.00 O ATOM 1871 OD2 ASP A 123 12.522 -0.294 -30.494 1.00 0.00 O ATOM 0 H ASP A 123 11.903 3.432 -26.647 1.00 0.00 H new ATOM 0 HA ASP A 123 12.272 0.549 -26.672 1.00 0.00 H new ATOM 0 HB2 ASP A 123 11.042 1.282 -28.856 1.00 0.00 H new ATOM 0 HB3 ASP A 123 12.547 2.078 -29.272 1.00 0.00 H new ATOM 1876 N GLY A 124 14.808 1.192 -27.465 1.00 0.00 N ATOM 1877 CA GLY A 124 16.231 1.494 -27.488 1.00 0.00 C ATOM 1878 C GLY A 124 17.047 0.313 -26.966 1.00 0.00 C ATOM 1879 O GLY A 124 16.500 -0.729 -26.599 1.00 0.00 O ATOM 0 H GLY A 124 14.605 0.263 -27.834 1.00 0.00 H new ATOM 0 HA2 GLY A 124 16.540 1.733 -28.506 1.00 0.00 H new ATOM 0 HA3 GLY A 124 16.430 2.376 -26.879 1.00 0.00 H new ATOM 1883 N TYR A 125 18.364 0.494 -26.910 1.00 0.00 N ATOM 1884 CA TYR A 125 19.335 -0.382 -26.269 1.00 0.00 C ATOM 1885 C TYR A 125 20.548 0.485 -25.933 1.00 0.00 C ATOM 1886 O TYR A 125 21.409 0.052 -25.141 1.00 0.00 O ATOM 1887 CB TYR A 125 19.718 -1.561 -27.181 1.00 0.00 C ATOM 1888 CG TYR A 125 20.334 -1.182 -28.517 1.00 0.00 C ATOM 1889 CD1 TYR A 125 21.730 -1.027 -28.632 1.00 0.00 C ATOM 1890 CD2 TYR A 125 19.515 -0.998 -29.648 1.00 0.00 C ATOM 1891 CE1 TYR A 125 22.307 -0.686 -29.869 1.00 0.00 C ATOM 1892 CE2 TYR A 125 20.084 -0.656 -30.888 1.00 0.00 C ATOM 1893 CZ TYR A 125 21.484 -0.498 -31.005 1.00 0.00 C ATOM 1894 OH TYR A 125 22.024 -0.168 -32.212 1.00 0.00 O ATOM 1895 OXT TYR A 125 20.618 1.633 -26.424 1.00 0.00 O ATOM 0 H TYR A 125 18.807 1.307 -27.338 1.00 0.00 H new ATOM 0 HA TYR A 125 18.918 -0.829 -25.367 1.00 0.00 H new ATOM 0 HB2 TYR A 125 20.421 -2.199 -26.645 1.00 0.00 H new ATOM 0 HB3 TYR A 125 18.825 -2.157 -27.369 1.00 0.00 H new ATOM 0 HD1 TYR A 125 22.360 -1.171 -27.767 1.00 0.00 H new ATOM 0 HD2 TYR A 125 18.445 -1.120 -29.563 1.00 0.00 H new ATOM 0 HE1 TYR A 125 23.377 -0.568 -29.952 1.00 0.00 H new ATOM 0 HE2 TYR A 125 19.451 -0.514 -31.751 1.00 0.00 H new ATOM 0 HH TYR A 125 21.310 -0.081 -32.877 1.00 0.00 H new TER 1905 TYR A 125