USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 838 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 73 HIS : no HE2:sc= 0.071 K(o=1.6,f=-1.9!) USER MOD Set 1.2: A 77 CYS SG : rot -169:sc= 0.179 USER MOD Set 1.3: A 82 CYS SG : rot -144:sc= 0.814 USER MOD Set 1.4: A 85 CYS SG : rot -90:sc= 0.491 USER MOD Set 2.1: A 49 HIS : no HE2:sc= -0.866 X(o=3.8,f=3.5) USER MOD Set 2.2: A 53 CYS SG : rot -139:sc= 1.31 USER MOD Set 2.3: A 59 CYS SG : rot 130:sc= 0.611 USER MOD Set 2.4: A 64 CYS SG : rot 122:sc= 2.74 USER MOD Set 3.1: A 18 HIS :FLIP no HD1:sc= 0.494 F(o=-3.3,f=3.5) USER MOD Set 3.2: A 22 CYS SG : rot 132:sc= 0.0227 USER MOD Set 3.3: A 40 CYS SG : rot 116:sc= 1.13 USER MOD Set 3.4: A 44 LYS NZ :NH3+ -148:sc= 1.87 (180deg=0) USER MOD Set 4.1: A 11 GLN : amide:sc= 1.44 K(o=1.8,f=-0.6) USER MOD Set 4.2: A 12 GLN : amide:sc= 0.331 K(o=1.8,f=-2.2) USER MOD Set 4.3: A 43 MET CE :methyl 167:sc= -0.0114 (180deg=-0.132) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -175:sc= 1.26 (180deg=1.19) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : no HD1:sc= -0.191 X(o=-0.19,f=-0.41) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0.96 K(o=0.96,f=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 MET CE :methyl -174:sc= -0.174 (180deg=-0.231) USER MOD Single : A 51 THR OG1 : rot 180:sc=0.000827 USER MOD Single : A 52 HIS : no HD1:sc=-0.000689 X(o=-0.00069,f=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ -179:sc= 1.21 (180deg=1.19) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -0.064 X(o=-0.064,f=-0.064) USER MOD Single : A 66 SER OG : rot -72:sc= 1.23 USER MOD Single : A 67 SER OG : rot -89:sc= 1.22 USER MOD Single : A 69 GLN : amide:sc= -0.36 X(o=-0.36,f=-0.22) USER MOD Single : A 72 SER OG : rot 79:sc= 2.11 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0.972 K(o=0.97,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.0436 X(o=-0.044,f=-0.044) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 119 THR OG1 : rot -77:sc= 1.43 USER MOD Single : B 120 SER OG : rot 180:sc= 0.0028 USER MOD Single : B 121 TYR OH : rot 180:sc= 0 USER MOD Single : B 123 CYS SG : rot 81:sc= -0.828 USER MOD Single : B 126 ASN : amide:sc= -1.01 K(o=-1,f=-3.3) USER MOD Single : B 130 GLN : amide:sc= 0.512 K(o=0.51,f=-0.48) USER MOD Single : B 137 GLN : amide:sc= 0.679 K(o=0.68,f=0) USER MOD Single : B 147 GLN : amide:sc= 0.847 K(o=0.85,f=0) USER MOD Single : B 149 ASN : amide:sc= 1.15 K(o=1.1,f=-0.016) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 5.914 -11.884 17.246 1.00 0.00 N ATOM 2 CA ALA A 1 5.522 -11.594 15.846 1.00 0.00 C ATOM 3 C ALA A 1 5.369 -10.081 15.628 1.00 0.00 C ATOM 4 O ALA A 1 6.336 -9.434 15.226 1.00 0.00 O ATOM 5 CB ALA A 1 4.279 -12.400 15.417 1.00 0.00 C ATOM 0 H1 ALA A 1 6.012 -12.911 17.373 1.00 0.00 H new ATOM 0 H2 ALA A 1 6.821 -11.421 17.456 1.00 0.00 H new ATOM 0 H3 ALA A 1 5.184 -11.523 17.893 1.00 0.00 H new ATOM 0 HA ALA A 1 6.325 -11.928 15.189 1.00 0.00 H new ATOM 0 HB1 ALA A 1 4.026 -12.157 14.385 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.491 -13.466 15.498 1.00 0.00 H new ATOM 0 HB3 ALA A 1 3.440 -12.147 16.065 1.00 0.00 H new ATOM 13 N ASP A 2 4.185 -9.505 15.873 1.00 0.00 N ATOM 14 CA ASP A 2 3.841 -8.098 15.614 1.00 0.00 C ATOM 15 C ASP A 2 3.388 -7.271 16.843 1.00 0.00 C ATOM 16 O ASP A 2 2.189 -7.091 17.065 1.00 0.00 O ATOM 17 CB ASP A 2 2.802 -8.032 14.479 1.00 0.00 C ATOM 18 CG ASP A 2 1.440 -8.712 14.763 1.00 0.00 C ATOM 19 OD1 ASP A 2 1.395 -9.789 15.410 1.00 0.00 O ATOM 20 OD2 ASP A 2 0.402 -8.195 14.284 1.00 0.00 O ATOM 0 H ASP A 2 3.406 -10.028 16.274 1.00 0.00 H new ATOM 0 HA ASP A 2 4.773 -7.616 15.319 1.00 0.00 H new ATOM 0 HB2 ASP A 2 2.619 -6.984 14.241 1.00 0.00 H new ATOM 0 HB3 ASP A 2 3.235 -8.490 13.590 1.00 0.00 H new ATOM 25 N PRO A 3 4.330 -6.720 17.635 1.00 0.00 N ATOM 26 CA PRO A 3 4.028 -5.814 18.742 1.00 0.00 C ATOM 27 C PRO A 3 3.887 -4.388 18.173 1.00 0.00 C ATOM 28 O PRO A 3 2.918 -4.102 17.471 1.00 0.00 O ATOM 29 CB PRO A 3 5.203 -6.031 19.704 1.00 0.00 C ATOM 30 CG PRO A 3 6.394 -6.251 18.761 1.00 0.00 C ATOM 31 CD PRO A 3 5.772 -6.912 17.526 1.00 0.00 C ATOM 0 HA PRO A 3 3.092 -5.988 19.272 1.00 0.00 H new ATOM 0 HB2 PRO A 3 5.357 -5.168 20.352 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.039 -6.892 20.352 1.00 0.00 H new ATOM 0 HG2 PRO A 3 6.881 -5.310 18.507 1.00 0.00 H new ATOM 0 HG3 PRO A 3 7.151 -6.889 19.217 1.00 0.00 H new ATOM 0 HD2 PRO A 3 6.155 -6.461 16.610 1.00 0.00 H new ATOM 0 HD3 PRO A 3 6.020 -7.973 17.487 1.00 0.00 H new ATOM 39 N GLU A 4 4.852 -3.488 18.388 1.00 0.00 N ATOM 40 CA GLU A 4 4.865 -2.136 17.803 1.00 0.00 C ATOM 41 C GLU A 4 4.904 -2.168 16.261 1.00 0.00 C ATOM 42 O GLU A 4 4.533 -1.187 15.614 1.00 0.00 O ATOM 43 CB GLU A 4 6.048 -1.316 18.348 1.00 0.00 C ATOM 44 CG GLU A 4 5.860 -0.840 19.798 1.00 0.00 C ATOM 45 CD GLU A 4 5.846 -1.983 20.832 1.00 0.00 C ATOM 46 OE1 GLU A 4 6.807 -2.788 20.868 1.00 0.00 O ATOM 47 OE2 GLU A 4 4.875 -2.079 21.623 1.00 0.00 O ATOM 0 H GLU A 4 5.660 -3.678 18.982 1.00 0.00 H new ATOM 0 HA GLU A 4 3.933 -1.654 18.098 1.00 0.00 H new ATOM 0 HB2 GLU A 4 6.954 -1.919 18.288 1.00 0.00 H new ATOM 0 HB3 GLU A 4 6.201 -0.447 17.708 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.662 -0.145 20.049 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.924 -0.286 19.870 1.00 0.00 H new ATOM 54 N LYS A 5 5.287 -3.301 15.647 1.00 0.00 N ATOM 55 CA LYS A 5 5.302 -3.499 14.190 1.00 0.00 C ATOM 56 C LYS A 5 3.904 -3.365 13.575 1.00 0.00 C ATOM 57 O LYS A 5 3.797 -3.007 12.406 1.00 0.00 O ATOM 58 CB LYS A 5 5.969 -4.827 13.822 1.00 0.00 C ATOM 59 CG LYS A 5 7.443 -4.900 14.257 1.00 0.00 C ATOM 60 CD LYS A 5 8.094 -6.223 13.829 1.00 0.00 C ATOM 61 CE LYS A 5 9.548 -6.269 14.314 1.00 0.00 C ATOM 62 NZ LYS A 5 10.220 -7.541 13.939 1.00 0.00 N ATOM 0 H LYS A 5 5.602 -4.122 16.163 1.00 0.00 H new ATOM 0 HA LYS A 5 5.904 -2.700 13.757 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.418 -5.645 14.286 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.907 -4.972 12.744 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.993 -4.066 13.822 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.509 -4.795 15.340 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.537 -7.063 14.243 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.060 -6.321 12.744 1.00 0.00 H new ATOM 0 HE2 LYS A 5 10.098 -5.429 13.890 1.00 0.00 H new ATOM 0 HE3 LYS A 5 9.573 -6.152 15.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 11.172 -7.567 14.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.664 -8.345 14.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.296 -7.602 12.904 1.00 0.00 H new ATOM 76 N ARG A 6 2.835 -3.560 14.363 1.00 0.00 N ATOM 77 CA ARG A 6 1.433 -3.303 13.977 1.00 0.00 C ATOM 78 C ARG A 6 1.296 -1.869 13.451 1.00 0.00 C ATOM 79 O ARG A 6 0.857 -1.670 12.320 1.00 0.00 O ATOM 80 CB ARG A 6 0.503 -3.567 15.178 1.00 0.00 C ATOM 81 CG ARG A 6 0.167 -5.057 15.292 1.00 0.00 C ATOM 82 CD ARG A 6 -0.527 -5.408 16.614 1.00 0.00 C ATOM 83 NE ARG A 6 -1.861 -4.786 16.738 1.00 0.00 N ATOM 84 CZ ARG A 6 -2.670 -4.857 17.780 1.00 0.00 C ATOM 85 NH1 ARG A 6 -2.353 -5.516 18.861 1.00 0.00 N ATOM 86 NH2 ARG A 6 -3.828 -4.262 17.760 1.00 0.00 N ATOM 0 H ARG A 6 2.922 -3.912 15.316 1.00 0.00 H new ATOM 0 HA ARG A 6 1.138 -3.981 13.176 1.00 0.00 H new ATOM 0 HB2 ARG A 6 0.982 -3.227 16.096 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -0.415 -2.991 15.066 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.477 -5.345 14.461 1.00 0.00 H new ATOM 0 HG3 ARG A 6 1.084 -5.640 15.202 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.626 -6.491 16.692 1.00 0.00 H new ATOM 0 HD3 ARG A 6 0.099 -5.085 17.446 1.00 0.00 H new ATOM 0 HE ARG A 6 -2.191 -4.247 15.938 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -1.456 -5.997 18.920 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -3.003 -5.550 19.647 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -4.117 -3.736 16.935 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -4.446 -4.322 18.569 1.00 0.00 H new ATOM 100 N LYS A 7 1.747 -0.890 14.245 1.00 0.00 N ATOM 101 CA LYS A 7 1.791 0.552 13.930 1.00 0.00 C ATOM 102 C LYS A 7 2.550 0.808 12.623 1.00 0.00 C ATOM 103 O LYS A 7 2.050 1.504 11.740 1.00 0.00 O ATOM 104 CB LYS A 7 2.444 1.341 15.082 1.00 0.00 C ATOM 105 CG LYS A 7 1.791 1.126 16.460 1.00 0.00 C ATOM 106 CD LYS A 7 2.702 1.676 17.569 1.00 0.00 C ATOM 107 CE LYS A 7 2.120 1.471 18.975 1.00 0.00 C ATOM 108 NZ LYS A 7 0.923 2.320 19.225 1.00 0.00 N ATOM 0 H LYS A 7 2.112 -1.089 15.177 1.00 0.00 H new ATOM 0 HA LYS A 7 0.764 0.896 13.805 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.496 1.061 15.146 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.411 2.404 14.841 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.822 1.625 16.494 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.608 0.064 16.622 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.675 1.188 17.509 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.868 2.740 17.401 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.851 0.423 19.104 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.884 1.698 19.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.568 2.145 20.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.182 3.323 19.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.181 2.086 18.534 1.00 0.00 H new ATOM 122 N LEU A 8 3.748 0.227 12.504 1.00 0.00 N ATOM 123 CA LEU A 8 4.623 0.319 11.327 1.00 0.00 C ATOM 124 C LEU A 8 3.906 -0.167 10.056 1.00 0.00 C ATOM 125 O LEU A 8 3.809 0.576 9.081 1.00 0.00 O ATOM 126 CB LEU A 8 5.936 -0.458 11.565 1.00 0.00 C ATOM 127 CG LEU A 8 6.766 -0.036 12.793 1.00 0.00 C ATOM 128 CD1 LEU A 8 8.081 -0.815 12.811 1.00 0.00 C ATOM 129 CD2 LEU A 8 7.088 1.458 12.805 1.00 0.00 C ATOM 0 H LEU A 8 4.151 -0.341 13.250 1.00 0.00 H new ATOM 0 HA LEU A 8 4.874 1.368 11.174 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.694 -1.516 11.663 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.561 -0.354 10.678 1.00 0.00 H new ATOM 0 HG LEU A 8 6.163 -0.256 13.674 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.669 -0.517 13.679 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.870 -1.883 12.865 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.643 -0.601 11.902 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.674 1.697 13.693 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.660 1.714 11.913 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.160 2.030 12.818 1.00 0.00 H new ATOM 141 N ILE A 9 3.390 -1.399 10.065 1.00 0.00 N ATOM 142 CA ILE A 9 2.649 -2.011 8.951 1.00 0.00 C ATOM 143 C ILE A 9 1.432 -1.147 8.585 1.00 0.00 C ATOM 144 O ILE A 9 1.295 -0.777 7.421 1.00 0.00 O ATOM 145 CB ILE A 9 2.304 -3.488 9.261 1.00 0.00 C ATOM 146 CG1 ILE A 9 3.616 -4.310 9.297 1.00 0.00 C ATOM 147 CG2 ILE A 9 1.355 -4.080 8.202 1.00 0.00 C ATOM 148 CD1 ILE A 9 3.475 -5.686 9.951 1.00 0.00 C ATOM 0 H ILE A 9 3.477 -2.019 10.870 1.00 0.00 H new ATOM 0 HA ILE A 9 3.280 -2.041 8.063 1.00 0.00 H new ATOM 0 HB ILE A 9 1.798 -3.531 10.225 1.00 0.00 H new ATOM 0 HG12 ILE A 9 3.978 -4.440 8.277 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.374 -3.740 9.835 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.134 -5.118 8.451 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.428 -3.506 8.182 1.00 0.00 H new ATOM 0 HG23 ILE A 9 1.830 -4.035 7.222 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.438 -6.197 9.936 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.144 -5.566 10.983 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.742 -6.277 9.401 1.00 0.00 H new ATOM 160 N GLN A 10 0.587 -0.779 9.559 1.00 0.00 N ATOM 161 CA GLN A 10 -0.570 0.114 9.370 1.00 0.00 C ATOM 162 C GLN A 10 -0.170 1.399 8.626 1.00 0.00 C ATOM 163 O GLN A 10 -0.785 1.737 7.611 1.00 0.00 O ATOM 164 CB GLN A 10 -1.221 0.452 10.725 1.00 0.00 C ATOM 165 CG GLN A 10 -2.076 -0.699 11.269 1.00 0.00 C ATOM 166 CD GLN A 10 -2.618 -0.410 12.668 1.00 0.00 C ATOM 167 OE1 GLN A 10 -1.889 -0.294 13.645 1.00 0.00 O ATOM 168 NE2 GLN A 10 -3.922 -0.295 12.830 1.00 0.00 N ATOM 0 H GLN A 10 0.689 -1.100 10.522 1.00 0.00 H new ATOM 0 HA GLN A 10 -1.300 -0.413 8.756 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.442 0.695 11.448 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -1.842 1.341 10.614 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.909 -0.882 10.590 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -1.479 -1.611 11.294 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.546 -0.388 12.028 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.307 -0.113 13.757 1.00 0.00 H new ATOM 177 N GLN A 11 0.869 2.093 9.107 1.00 0.00 N ATOM 178 CA GLN A 11 1.417 3.297 8.481 1.00 0.00 C ATOM 179 C GLN A 11 1.792 3.029 7.015 1.00 0.00 C ATOM 180 O GLN A 11 1.224 3.655 6.122 1.00 0.00 O ATOM 181 CB GLN A 11 2.620 3.828 9.284 1.00 0.00 C ATOM 182 CG GLN A 11 3.188 5.110 8.657 1.00 0.00 C ATOM 183 CD GLN A 11 4.492 5.552 9.303 1.00 0.00 C ATOM 184 OE1 GLN A 11 4.521 6.097 10.394 1.00 0.00 O ATOM 185 NE2 GLN A 11 5.620 5.326 8.667 1.00 0.00 N ATOM 0 H GLN A 11 1.360 1.826 9.960 1.00 0.00 H new ATOM 0 HA GLN A 11 0.648 4.069 8.487 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.315 4.027 10.311 1.00 0.00 H new ATOM 0 HB3 GLN A 11 3.398 3.065 9.325 1.00 0.00 H new ATOM 0 HG2 GLN A 11 3.352 4.947 7.592 1.00 0.00 H new ATOM 0 HG3 GLN A 11 2.453 5.910 8.747 1.00 0.00 H new ATOM 0 HE21 GLN A 11 5.608 4.871 7.754 1.00 0.00 H new ATOM 0 HE22 GLN A 11 6.507 5.606 9.086 1.00 0.00 H new ATOM 194 N GLN A 12 2.738 2.120 6.754 1.00 0.00 N ATOM 195 CA GLN A 12 3.211 1.798 5.401 1.00 0.00 C ATOM 196 C GLN A 12 2.079 1.420 4.436 1.00 0.00 C ATOM 197 O GLN A 12 2.102 1.861 3.288 1.00 0.00 O ATOM 198 CB GLN A 12 4.299 0.710 5.435 1.00 0.00 C ATOM 199 CG GLN A 12 5.573 1.131 6.190 1.00 0.00 C ATOM 200 CD GLN A 12 6.067 2.517 5.797 1.00 0.00 C ATOM 201 OE1 GLN A 12 5.864 3.497 6.498 1.00 0.00 O ATOM 202 NE2 GLN A 12 6.707 2.664 4.660 1.00 0.00 N ATOM 0 H GLN A 12 3.203 1.580 7.484 1.00 0.00 H new ATOM 0 HA GLN A 12 3.651 2.715 5.008 1.00 0.00 H new ATOM 0 HB2 GLN A 12 3.890 -0.186 5.902 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.565 0.443 4.412 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.376 1.112 7.262 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.360 0.402 5.997 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.883 1.854 4.065 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.028 3.588 4.371 1.00 0.00 H new ATOM 211 N LEU A 13 1.086 0.640 4.882 1.00 0.00 N ATOM 212 CA LEU A 13 -0.074 0.234 4.090 1.00 0.00 C ATOM 213 C LEU A 13 -0.824 1.493 3.613 1.00 0.00 C ATOM 214 O LEU A 13 -0.986 1.696 2.410 1.00 0.00 O ATOM 215 CB LEU A 13 -0.915 -0.764 4.916 1.00 0.00 C ATOM 216 CG LEU A 13 -1.673 -1.802 4.070 1.00 0.00 C ATOM 217 CD1 LEU A 13 -2.215 -2.926 4.949 1.00 0.00 C ATOM 218 CD2 LEU A 13 -2.817 -1.200 3.274 1.00 0.00 C ATOM 0 H LEU A 13 1.070 0.265 5.831 1.00 0.00 H new ATOM 0 HA LEU A 13 0.208 -0.297 3.181 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.258 -1.288 5.610 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.634 -0.206 5.516 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.946 -2.197 3.360 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.747 -3.648 4.330 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.388 -3.423 5.456 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.898 -2.511 5.690 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.311 -1.983 2.699 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.534 -0.743 3.956 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.428 -0.441 2.595 1.00 0.00 H new ATOM 230 N VAL A 14 -1.215 2.374 4.539 1.00 0.00 N ATOM 231 CA VAL A 14 -1.874 3.657 4.233 1.00 0.00 C ATOM 232 C VAL A 14 -1.005 4.560 3.348 1.00 0.00 C ATOM 233 O VAL A 14 -1.506 5.068 2.345 1.00 0.00 O ATOM 234 CB VAL A 14 -2.321 4.380 5.516 1.00 0.00 C ATOM 235 CG1 VAL A 14 -2.868 5.778 5.205 1.00 0.00 C ATOM 236 CG2 VAL A 14 -3.433 3.585 6.215 1.00 0.00 C ATOM 0 H VAL A 14 -1.083 2.218 5.538 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.770 3.424 3.658 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.445 4.464 6.160 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.175 6.263 6.132 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.092 6.374 4.724 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.726 5.693 4.538 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.740 4.108 7.121 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.287 3.488 5.545 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.063 2.594 6.476 1.00 0.00 H new ATOM 246 N LEU A 15 0.277 4.773 3.677 1.00 0.00 N ATOM 247 CA LEU A 15 1.191 5.600 2.874 1.00 0.00 C ATOM 248 C LEU A 15 1.286 5.104 1.422 1.00 0.00 C ATOM 249 O LEU A 15 1.224 5.906 0.491 1.00 0.00 O ATOM 250 CB LEU A 15 2.607 5.661 3.473 1.00 0.00 C ATOM 251 CG LEU A 15 2.804 6.357 4.825 1.00 0.00 C ATOM 252 CD1 LEU A 15 4.308 6.404 5.107 1.00 0.00 C ATOM 253 CD2 LEU A 15 2.262 7.780 4.833 1.00 0.00 C ATOM 0 H LEU A 15 0.711 4.376 4.510 1.00 0.00 H new ATOM 0 HA LEU A 15 0.763 6.602 2.885 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.969 4.637 3.572 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.252 6.158 2.748 1.00 0.00 H new ATOM 0 HG LEU A 15 2.258 5.797 5.584 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.484 6.895 6.064 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.704 5.389 5.141 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.809 6.962 4.316 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.427 8.227 5.813 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.777 8.370 4.074 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.194 7.764 4.617 1.00 0.00 H new ATOM 265 N LEU A 16 1.442 3.795 1.217 1.00 0.00 N ATOM 266 CA LEU A 16 1.520 3.181 -0.108 1.00 0.00 C ATOM 267 C LEU A 16 0.220 3.376 -0.907 1.00 0.00 C ATOM 268 O LEU A 16 0.260 3.724 -2.087 1.00 0.00 O ATOM 269 CB LEU A 16 1.883 1.701 0.051 1.00 0.00 C ATOM 270 CG LEU A 16 2.108 0.998 -1.295 1.00 0.00 C ATOM 271 CD1 LEU A 16 3.290 1.592 -2.058 1.00 0.00 C ATOM 272 CD2 LEU A 16 2.425 -0.463 -1.022 1.00 0.00 C ATOM 0 H LEU A 16 1.519 3.122 1.979 1.00 0.00 H new ATOM 0 HA LEU A 16 2.300 3.676 -0.686 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.786 1.616 0.656 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.086 1.192 0.593 1.00 0.00 H new ATOM 0 HG LEU A 16 1.207 1.121 -1.895 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.414 1.065 -3.004 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.104 2.648 -2.252 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.197 1.487 -1.463 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.589 -0.982 -1.966 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.324 -0.532 -0.409 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.590 -0.924 -0.494 1.00 0.00 H new ATOM 284 N LEU A 17 -0.934 3.177 -0.264 1.00 0.00 N ATOM 285 CA LEU A 17 -2.247 3.424 -0.865 1.00 0.00 C ATOM 286 C LEU A 17 -2.361 4.900 -1.278 1.00 0.00 C ATOM 287 O LEU A 17 -2.717 5.183 -2.424 1.00 0.00 O ATOM 288 CB LEU A 17 -3.367 3.011 0.099 1.00 0.00 C ATOM 289 CG LEU A 17 -3.447 1.490 0.317 1.00 0.00 C ATOM 290 CD1 LEU A 17 -4.308 1.226 1.547 1.00 0.00 C ATOM 291 CD2 LEU A 17 -4.048 0.745 -0.873 1.00 0.00 C ATOM 0 H LEU A 17 -0.983 2.837 0.696 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.354 2.815 -1.762 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.210 3.502 1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.321 3.367 -0.289 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.429 1.122 0.445 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.377 0.152 1.719 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.857 1.704 2.416 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.306 1.633 1.386 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.077 -0.323 -0.657 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.060 1.106 -1.055 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.436 0.920 -1.758 1.00 0.00 H new ATOM 303 N HIS A 18 -2.010 5.830 -0.376 1.00 0.00 N ATOM 304 CA HIS A 18 -1.954 7.266 -0.664 1.00 0.00 C ATOM 305 C HIS A 18 -1.084 7.507 -1.903 1.00 0.00 C ATOM 306 O HIS A 18 -1.574 8.128 -2.834 1.00 0.00 O ATOM 307 CB HIS A 18 -1.476 8.099 0.540 1.00 0.00 C ATOM 308 CG HIS A 18 -1.438 9.600 0.282 1.00 0.00 C ATOM 309 ND1 HIS A 18 -0.605 10.246 -0.594 1.00 0.00 N flip ATOM 310 CD2 HIS A 18 -2.210 10.573 0.881 1.00 0.00 C flip ATOM 311 CE1 HIS A 18 -0.852 11.626 -0.539 1.00 0.00 C flip ATOM 312 NE2 HIS A 18 -1.844 11.767 0.363 1.00 0.00 N flip ATOM 0 H HIS A 18 -1.755 5.600 0.584 1.00 0.00 H new ATOM 0 HA HIS A 18 -2.969 7.606 -0.870 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -2.133 7.903 1.387 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -0.479 7.765 0.826 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -2.971 10.410 1.630 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -0.356 12.406 -1.098 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -2.264 12.660 0.621 1.00 0.00 H new ATOM 320 N ALA A 19 0.161 7.017 -1.945 1.00 0.00 N ATOM 321 CA ALA A 19 1.105 7.194 -3.056 1.00 0.00 C ATOM 322 C ALA A 19 0.459 7.090 -4.451 1.00 0.00 C ATOM 323 O ALA A 19 0.620 7.992 -5.272 1.00 0.00 O ATOM 324 CB ALA A 19 2.288 6.236 -2.891 1.00 0.00 C ATOM 0 H ALA A 19 0.553 6.467 -1.180 1.00 0.00 H new ATOM 0 HA ALA A 19 1.470 8.220 -3.004 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.985 6.372 -3.718 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.797 6.445 -1.950 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.926 5.208 -2.887 1.00 0.00 H new ATOM 330 N HIS A 20 -0.288 6.014 -4.739 1.00 0.00 N ATOM 331 CA HIS A 20 -0.989 5.892 -6.028 1.00 0.00 C ATOM 332 C HIS A 20 -2.304 6.683 -6.076 1.00 0.00 C ATOM 333 O HIS A 20 -2.584 7.295 -7.104 1.00 0.00 O ATOM 334 CB HIS A 20 -1.146 4.430 -6.440 1.00 0.00 C ATOM 335 CG HIS A 20 -1.574 4.279 -7.881 1.00 0.00 C ATOM 336 ND1 HIS A 20 -0.901 4.800 -8.974 1.00 0.00 N ATOM 337 CD2 HIS A 20 -2.703 3.652 -8.330 1.00 0.00 C ATOM 338 CE1 HIS A 20 -1.616 4.492 -10.075 1.00 0.00 C ATOM 339 NE2 HIS A 20 -2.712 3.791 -9.709 1.00 0.00 N ATOM 0 H HIS A 20 -0.422 5.225 -4.107 1.00 0.00 H new ATOM 0 HA HIS A 20 -0.356 6.363 -6.780 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -0.200 3.909 -6.289 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.881 3.950 -5.794 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -3.443 3.147 -7.728 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -1.355 4.762 -11.087 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -3.425 3.426 -10.341 1.00 0.00 H new ATOM 348 N LYS A 21 -3.101 6.728 -4.998 1.00 0.00 N ATOM 349 CA LYS A 21 -4.346 7.532 -4.897 1.00 0.00 C ATOM 350 C LYS A 21 -4.088 9.018 -5.219 1.00 0.00 C ATOM 351 O LYS A 21 -4.873 9.642 -5.928 1.00 0.00 O ATOM 352 CB LYS A 21 -4.983 7.298 -3.514 1.00 0.00 C ATOM 353 CG LYS A 21 -6.312 8.044 -3.302 1.00 0.00 C ATOM 354 CD LYS A 21 -7.173 7.424 -2.184 1.00 0.00 C ATOM 355 CE LYS A 21 -6.482 7.292 -0.815 1.00 0.00 C ATOM 356 NZ LYS A 21 -6.355 8.591 -0.105 1.00 0.00 N ATOM 0 H LYS A 21 -2.901 6.198 -4.150 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.063 7.204 -5.649 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.153 6.230 -3.380 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.277 7.608 -2.743 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.104 9.086 -3.059 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.878 8.041 -4.234 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.071 8.030 -2.062 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.498 6.434 -2.505 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.047 6.598 -0.194 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.491 6.861 -0.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.883 8.442 0.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.792 9.248 -0.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.301 8.993 0.055 1.00 0.00 H new ATOM 370 N CYS A 22 -2.963 9.548 -4.744 1.00 0.00 N ATOM 371 CA CYS A 22 -2.379 10.869 -4.958 1.00 0.00 C ATOM 372 C CYS A 22 -2.198 11.122 -6.473 1.00 0.00 C ATOM 373 O CYS A 22 -2.818 12.030 -7.038 1.00 0.00 O ATOM 374 CB CYS A 22 -1.075 10.844 -4.137 1.00 0.00 C ATOM 375 SG CYS A 22 -0.133 12.384 -4.103 1.00 0.00 S ATOM 0 H CYS A 22 -2.369 8.995 -4.126 1.00 0.00 H new ATOM 0 HA CYS A 22 -2.999 11.703 -4.628 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -1.320 10.568 -3.111 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -0.434 10.057 -4.534 1.00 0.00 H new ATOM 0 HG CYS A 22 0.198 12.663 -2.877 1.00 0.00 H new ATOM 627 N HIS A 39 5.806 11.771 3.763 1.00 0.00 N ATOM 628 CA HIS A 39 6.428 10.505 3.326 1.00 0.00 C ATOM 629 C HIS A 39 5.888 9.948 1.995 1.00 0.00 C ATOM 630 O HIS A 39 6.486 9.021 1.442 1.00 0.00 O ATOM 631 CB HIS A 39 6.347 9.471 4.463 1.00 0.00 C ATOM 632 CG HIS A 39 7.045 9.874 5.749 1.00 0.00 C ATOM 633 ND1 HIS A 39 6.956 9.197 6.954 1.00 0.00 N ATOM 634 CD2 HIS A 39 7.850 10.966 5.944 1.00 0.00 C ATOM 635 CE1 HIS A 39 7.649 9.899 7.873 1.00 0.00 C ATOM 636 NE2 HIS A 39 8.213 10.971 7.279 1.00 0.00 N ATOM 0 HA HIS A 39 7.473 10.728 3.110 1.00 0.00 H new ATOM 0 HB2 HIS A 39 5.297 9.277 4.683 1.00 0.00 H new ATOM 0 HB3 HIS A 39 6.778 8.533 4.112 1.00 0.00 H new ATOM 0 HD2 HIS A 39 8.145 11.687 5.196 1.00 0.00 H new ATOM 0 HE1 HIS A 39 7.738 9.644 8.919 1.00 0.00 H new ATOM 0 HE2 HIS A 39 8.805 11.665 7.735 1.00 0.00 H new ATOM 645 N CYS A 40 4.802 10.521 1.462 1.00 0.00 N ATOM 646 CA CYS A 40 4.211 10.175 0.169 1.00 0.00 C ATOM 647 C CYS A 40 5.273 10.196 -0.949 1.00 0.00 C ATOM 648 O CYS A 40 5.402 9.226 -1.696 1.00 0.00 O ATOM 649 CB CYS A 40 3.055 11.141 -0.110 1.00 0.00 C ATOM 650 SG CYS A 40 2.323 10.775 -1.727 1.00 0.00 S ATOM 0 H CYS A 40 4.294 11.266 1.939 1.00 0.00 H new ATOM 0 HA CYS A 40 3.820 9.158 0.196 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.299 11.052 0.670 1.00 0.00 H new ATOM 0 HB3 CYS A 40 3.416 12.169 -0.089 1.00 0.00 H new ATOM 0 HG CYS A 40 1.095 10.380 -1.568 1.00 0.00 H new ATOM 655 N ARG A 41 6.089 11.262 -1.028 1.00 0.00 N ATOM 656 CA ARG A 41 7.204 11.417 -1.986 1.00 0.00 C ATOM 657 C ARG A 41 8.067 10.152 -2.066 1.00 0.00 C ATOM 658 O ARG A 41 8.317 9.637 -3.157 1.00 0.00 O ATOM 659 CB ARG A 41 8.030 12.665 -1.614 1.00 0.00 C ATOM 660 CG ARG A 41 9.118 13.031 -2.639 1.00 0.00 C ATOM 661 CD ARG A 41 8.527 13.459 -3.991 1.00 0.00 C ATOM 662 NE ARG A 41 9.567 13.954 -4.916 1.00 0.00 N ATOM 663 CZ ARG A 41 10.090 15.166 -4.977 1.00 0.00 C ATOM 664 NH1 ARG A 41 9.744 16.120 -4.157 1.00 0.00 N ATOM 665 NH2 ARG A 41 10.986 15.450 -5.878 1.00 0.00 N ATOM 0 H ARG A 41 5.990 12.066 -0.408 1.00 0.00 H new ATOM 0 HA ARG A 41 6.793 11.561 -2.985 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.355 13.513 -1.500 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.501 12.500 -0.645 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.731 13.839 -2.241 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.776 12.175 -2.788 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.010 12.614 -4.445 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.783 14.239 -3.831 1.00 0.00 H new ATOM 0 HE ARG A 41 9.925 13.277 -5.590 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.045 15.944 -3.435 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.172 17.042 -4.238 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.287 14.736 -6.541 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.387 16.387 -5.921 1.00 0.00 H new ATOM 679 N THR A 42 8.498 9.640 -0.913 1.00 0.00 N ATOM 680 CA THR A 42 9.283 8.403 -0.789 1.00 0.00 C ATOM 681 C THR A 42 8.482 7.202 -1.299 1.00 0.00 C ATOM 682 O THR A 42 8.967 6.469 -2.160 1.00 0.00 O ATOM 683 CB THR A 42 9.762 8.171 0.654 1.00 0.00 C ATOM 684 OG1 THR A 42 10.283 9.372 1.190 1.00 0.00 O ATOM 685 CG2 THR A 42 10.884 7.131 0.698 1.00 0.00 C ATOM 0 H THR A 42 8.308 10.083 -0.014 1.00 0.00 H new ATOM 0 HA THR A 42 10.172 8.515 -1.410 1.00 0.00 H new ATOM 0 HB THR A 42 8.904 7.823 1.230 1.00 0.00 H new ATOM 0 HG1 THR A 42 10.584 9.216 2.109 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.205 6.985 1.729 1.00 0.00 H new ATOM 0 HG22 THR A 42 10.520 6.186 0.294 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.727 7.480 0.102 1.00 0.00 H new ATOM 693 N MET A 43 7.245 7.002 -0.825 1.00 0.00 N ATOM 694 CA MET A 43 6.383 5.908 -1.304 1.00 0.00 C ATOM 695 C MET A 43 6.113 5.965 -2.820 1.00 0.00 C ATOM 696 O MET A 43 6.085 4.915 -3.451 1.00 0.00 O ATOM 697 CB MET A 43 5.073 5.799 -0.521 1.00 0.00 C ATOM 698 CG MET A 43 5.232 5.264 0.904 1.00 0.00 C ATOM 699 SD MET A 43 6.036 3.643 1.081 1.00 0.00 S ATOM 700 CE MET A 43 7.661 4.169 1.688 1.00 0.00 C ATOM 0 H MET A 43 6.815 7.585 -0.107 1.00 0.00 H new ATOM 0 HA MET A 43 6.955 4.999 -1.116 1.00 0.00 H new ATOM 0 HB2 MET A 43 4.607 6.783 -0.477 1.00 0.00 H new ATOM 0 HB3 MET A 43 4.391 5.148 -1.067 1.00 0.00 H new ATOM 0 HG2 MET A 43 5.804 5.992 1.479 1.00 0.00 H new ATOM 0 HG3 MET A 43 4.243 5.205 1.358 1.00 0.00 H new ATOM 0 HE1 MET A 43 8.205 3.304 2.068 1.00 0.00 H new ATOM 0 HE2 MET A 43 8.225 4.622 0.873 1.00 0.00 H new ATOM 0 HE3 MET A 43 7.532 4.897 2.489 1.00 0.00 H new ATOM 710 N LYS A 44 5.938 7.142 -3.438 1.00 0.00 N ATOM 711 CA LYS A 44 5.757 7.313 -4.897 1.00 0.00 C ATOM 712 C LYS A 44 6.994 6.833 -5.668 1.00 0.00 C ATOM 713 O LYS A 44 6.853 6.138 -6.675 1.00 0.00 O ATOM 714 CB LYS A 44 5.347 8.759 -5.251 1.00 0.00 C ATOM 715 CG LYS A 44 3.863 8.987 -4.911 1.00 0.00 C ATOM 716 CD LYS A 44 3.271 10.339 -5.354 1.00 0.00 C ATOM 717 CE LYS A 44 3.875 11.559 -4.638 1.00 0.00 C ATOM 718 NZ LYS A 44 2.834 12.448 -4.068 1.00 0.00 N ATOM 0 H LYS A 44 5.917 8.026 -2.930 1.00 0.00 H new ATOM 0 HA LYS A 44 4.929 6.679 -5.214 1.00 0.00 H new ATOM 0 HB2 LYS A 44 5.967 9.466 -4.700 1.00 0.00 H new ATOM 0 HB3 LYS A 44 5.518 8.944 -6.311 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.279 8.189 -5.369 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.739 8.894 -3.832 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.419 10.453 -6.428 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.195 10.326 -5.180 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.536 11.219 -3.841 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.487 12.124 -5.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.167 13.433 -4.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 1.961 12.364 -4.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.642 12.171 -3.084 1.00 0.00 H new ATOM 732 N ASN A 45 8.200 7.135 -5.176 1.00 0.00 N ATOM 733 CA ASN A 45 9.459 6.618 -5.733 1.00 0.00 C ATOM 734 C ASN A 45 9.492 5.079 -5.622 1.00 0.00 C ATOM 735 O ASN A 45 9.750 4.392 -6.613 1.00 0.00 O ATOM 736 CB ASN A 45 10.669 7.270 -5.039 1.00 0.00 C ATOM 737 CG ASN A 45 11.007 8.634 -5.618 1.00 0.00 C ATOM 738 OD1 ASN A 45 11.856 8.770 -6.488 1.00 0.00 O ATOM 739 ND2 ASN A 45 10.364 9.687 -5.168 1.00 0.00 N ATOM 0 H ASN A 45 8.333 7.750 -4.373 1.00 0.00 H new ATOM 0 HA ASN A 45 9.516 6.878 -6.790 1.00 0.00 H new ATOM 0 HB2 ASN A 45 10.461 7.372 -3.974 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.535 6.614 -5.133 1.00 0.00 H new ATOM 0 HD21 ASN A 45 10.574 10.612 -5.544 1.00 0.00 H new ATOM 0 HD22 ASN A 45 9.655 9.580 -4.443 1.00 0.00 H new ATOM 746 N VAL A 46 9.195 4.539 -4.432 1.00 0.00 N ATOM 747 CA VAL A 46 9.096 3.091 -4.155 1.00 0.00 C ATOM 748 C VAL A 46 8.109 2.427 -5.126 1.00 0.00 C ATOM 749 O VAL A 46 8.477 1.462 -5.782 1.00 0.00 O ATOM 750 CB VAL A 46 8.739 2.830 -2.677 1.00 0.00 C ATOM 751 CG1 VAL A 46 8.396 1.367 -2.374 1.00 0.00 C ATOM 752 CG2 VAL A 46 9.913 3.228 -1.772 1.00 0.00 C ATOM 0 H VAL A 46 9.011 5.111 -3.608 1.00 0.00 H new ATOM 0 HA VAL A 46 10.071 2.634 -4.322 1.00 0.00 H new ATOM 0 HB VAL A 46 7.853 3.433 -2.481 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.156 1.261 -1.316 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.538 1.063 -2.973 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.250 0.735 -2.617 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.650 3.040 -0.731 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.792 2.640 -2.036 1.00 0.00 H new ATOM 0 HG23 VAL A 46 10.132 4.287 -1.905 1.00 0.00 H new ATOM 762 N LEU A 47 6.885 2.950 -5.256 1.00 0.00 N ATOM 763 CA LEU A 47 5.817 2.519 -6.168 1.00 0.00 C ATOM 764 C LEU A 47 6.311 2.422 -7.621 1.00 0.00 C ATOM 765 O LEU A 47 6.181 1.366 -8.241 1.00 0.00 O ATOM 766 CB LEU A 47 4.612 3.469 -5.986 1.00 0.00 C ATOM 767 CG LEU A 47 3.315 3.142 -6.747 1.00 0.00 C ATOM 768 CD1 LEU A 47 3.313 3.553 -8.220 1.00 0.00 C ATOM 769 CD2 LEU A 47 2.969 1.663 -6.661 1.00 0.00 C ATOM 0 H LEU A 47 6.592 3.743 -4.686 1.00 0.00 H new ATOM 0 HA LEU A 47 5.496 1.507 -5.921 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.375 3.508 -4.923 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.928 4.470 -6.279 1.00 0.00 H new ATOM 0 HG LEU A 47 2.561 3.745 -6.241 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.359 3.282 -8.672 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.458 4.630 -8.297 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.120 3.040 -8.742 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.047 1.472 -7.211 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.778 1.074 -7.094 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.834 1.381 -5.617 1.00 0.00 H new ATOM 781 N ASN A 48 6.899 3.500 -8.154 1.00 0.00 N ATOM 782 CA ASN A 48 7.482 3.533 -9.500 1.00 0.00 C ATOM 783 C ASN A 48 8.521 2.413 -9.689 1.00 0.00 C ATOM 784 O ASN A 48 8.501 1.708 -10.695 1.00 0.00 O ATOM 785 CB ASN A 48 8.101 4.916 -9.750 1.00 0.00 C ATOM 786 CG ASN A 48 8.782 4.981 -11.111 1.00 0.00 C ATOM 787 OD1 ASN A 48 8.146 4.975 -12.156 1.00 0.00 O ATOM 788 ND2 ASN A 48 10.096 5.032 -11.147 1.00 0.00 N ATOM 0 H ASN A 48 6.984 4.386 -7.655 1.00 0.00 H new ATOM 0 HA ASN A 48 6.693 3.359 -10.232 1.00 0.00 H new ATOM 0 HB2 ASN A 48 7.325 5.680 -9.693 1.00 0.00 H new ATOM 0 HB3 ASN A 48 8.826 5.139 -8.967 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.581 5.066 -12.044 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.630 5.037 -10.278 1.00 0.00 H new ATOM 795 N HIS A 49 9.430 2.237 -8.729 1.00 0.00 N ATOM 796 CA HIS A 49 10.425 1.164 -8.747 1.00 0.00 C ATOM 797 C HIS A 49 9.750 -0.231 -8.725 1.00 0.00 C ATOM 798 O HIS A 49 10.089 -1.095 -9.537 1.00 0.00 O ATOM 799 CB HIS A 49 11.402 1.383 -7.579 1.00 0.00 C ATOM 800 CG HIS A 49 12.301 0.198 -7.340 1.00 0.00 C ATOM 801 ND1 HIS A 49 13.439 -0.115 -8.054 1.00 0.00 N ATOM 802 CD2 HIS A 49 12.021 -0.858 -6.511 1.00 0.00 C ATOM 803 CE1 HIS A 49 13.817 -1.354 -7.685 1.00 0.00 C ATOM 804 NE2 HIS A 49 12.989 -1.838 -6.743 1.00 0.00 N ATOM 0 H HIS A 49 9.497 2.841 -7.910 1.00 0.00 H new ATOM 0 HA HIS A 49 10.993 1.193 -9.677 1.00 0.00 H new ATOM 0 HB2 HIS A 49 12.014 2.262 -7.783 1.00 0.00 H new ATOM 0 HB3 HIS A 49 10.835 1.592 -6.672 1.00 0.00 H new ATOM 0 HD1 HIS A 49 13.908 0.482 -8.736 1.00 0.00 H new ATOM 0 HD2 HIS A 49 11.203 -0.920 -5.808 1.00 0.00 H new ATOM 0 HE1 HIS A 49 14.666 -1.884 -8.089 1.00 0.00 H new ATOM 812 N MET A 50 8.795 -0.442 -7.812 1.00 0.00 N ATOM 813 CA MET A 50 8.030 -1.674 -7.563 1.00 0.00 C ATOM 814 C MET A 50 7.470 -2.352 -8.822 1.00 0.00 C ATOM 815 O MET A 50 7.529 -3.576 -8.941 1.00 0.00 O ATOM 816 CB MET A 50 6.867 -1.402 -6.586 1.00 0.00 C ATOM 817 CG MET A 50 6.845 -2.363 -5.396 1.00 0.00 C ATOM 818 SD MET A 50 5.225 -2.647 -4.628 1.00 0.00 S ATOM 819 CE MET A 50 4.492 -0.990 -4.594 1.00 0.00 C ATOM 0 H MET A 50 8.513 0.303 -7.176 1.00 0.00 H new ATOM 0 HA MET A 50 8.754 -2.366 -7.133 1.00 0.00 H new ATOM 0 HB2 MET A 50 6.942 -0.379 -6.218 1.00 0.00 H new ATOM 0 HB3 MET A 50 5.923 -1.479 -7.125 1.00 0.00 H new ATOM 0 HG2 MET A 50 7.242 -3.324 -5.724 1.00 0.00 H new ATOM 0 HG3 MET A 50 7.524 -1.980 -4.634 1.00 0.00 H new ATOM 0 HE1 MET A 50 3.548 -1.021 -4.051 1.00 0.00 H new ATOM 0 HE2 MET A 50 5.174 -0.301 -4.097 1.00 0.00 H new ATOM 0 HE3 MET A 50 4.313 -0.650 -5.614 1.00 0.00 H new ATOM 829 N THR A 51 6.891 -1.582 -9.749 1.00 0.00 N ATOM 830 CA THR A 51 6.316 -2.102 -11.003 1.00 0.00 C ATOM 831 C THR A 51 7.381 -2.698 -11.929 1.00 0.00 C ATOM 832 O THR A 51 7.169 -3.777 -12.487 1.00 0.00 O ATOM 833 CB THR A 51 5.502 -1.037 -11.750 1.00 0.00 C ATOM 834 OG1 THR A 51 6.203 0.180 -11.834 1.00 0.00 O ATOM 835 CG2 THR A 51 4.168 -0.773 -11.053 1.00 0.00 C ATOM 0 H THR A 51 6.805 -0.570 -9.653 1.00 0.00 H new ATOM 0 HA THR A 51 5.639 -2.904 -10.709 1.00 0.00 H new ATOM 0 HB THR A 51 5.325 -1.427 -12.752 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.660 0.838 -12.316 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.613 -0.014 -11.605 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.587 -1.694 -11.019 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.351 -0.422 -10.038 1.00 0.00 H new ATOM 843 N HIS A 52 8.524 -2.019 -12.097 1.00 0.00 N ATOM 844 CA HIS A 52 9.657 -2.478 -12.919 1.00 0.00 C ATOM 845 C HIS A 52 10.391 -3.668 -12.281 1.00 0.00 C ATOM 846 O HIS A 52 10.585 -4.694 -12.940 1.00 0.00 O ATOM 847 CB HIS A 52 10.622 -1.314 -13.197 1.00 0.00 C ATOM 848 CG HIS A 52 9.984 -0.184 -13.969 1.00 0.00 C ATOM 849 ND1 HIS A 52 9.477 -0.256 -15.255 1.00 0.00 N ATOM 850 CD2 HIS A 52 9.782 1.083 -13.502 1.00 0.00 C ATOM 851 CE1 HIS A 52 8.964 0.955 -15.557 1.00 0.00 C ATOM 852 NE2 HIS A 52 9.138 1.785 -14.506 1.00 0.00 N ATOM 0 H HIS A 52 8.692 -1.115 -11.656 1.00 0.00 H new ATOM 0 HA HIS A 52 9.254 -2.831 -13.868 1.00 0.00 H new ATOM 0 HB2 HIS A 52 11.000 -0.930 -12.250 1.00 0.00 H new ATOM 0 HB3 HIS A 52 11.480 -1.688 -13.755 1.00 0.00 H new ATOM 0 HD2 HIS A 52 10.070 1.465 -12.534 1.00 0.00 H new ATOM 0 HE1 HIS A 52 8.490 1.219 -16.491 1.00 0.00 H new ATOM 0 HE2 HIS A 52 8.845 2.761 -14.460 1.00 0.00 H new ATOM 861 N CYS A 53 10.803 -3.534 -11.018 1.00 0.00 N ATOM 862 CA CYS A 53 11.486 -4.571 -10.246 1.00 0.00 C ATOM 863 C CYS A 53 10.571 -5.798 -10.027 1.00 0.00 C ATOM 864 O CYS A 53 9.348 -5.671 -9.898 1.00 0.00 O ATOM 865 CB CYS A 53 11.963 -3.939 -8.934 1.00 0.00 C ATOM 866 SG CYS A 53 12.750 -5.151 -7.818 1.00 0.00 S ATOM 0 H CYS A 53 10.665 -2.673 -10.489 1.00 0.00 H new ATOM 0 HA CYS A 53 12.351 -4.951 -10.790 1.00 0.00 H new ATOM 0 HB2 CYS A 53 12.672 -3.141 -9.156 1.00 0.00 H new ATOM 0 HB3 CYS A 53 11.115 -3.480 -8.426 1.00 0.00 H new ATOM 0 HG CYS A 53 12.364 -4.930 -6.596 1.00 0.00 H new ATOM 871 N GLN A 54 11.167 -6.989 -9.972 1.00 0.00 N ATOM 872 CA GLN A 54 10.497 -8.279 -9.762 1.00 0.00 C ATOM 873 C GLN A 54 11.157 -9.113 -8.646 1.00 0.00 C ATOM 874 O GLN A 54 10.769 -10.264 -8.419 1.00 0.00 O ATOM 875 CB GLN A 54 10.508 -9.066 -11.084 1.00 0.00 C ATOM 876 CG GLN A 54 9.771 -8.346 -12.228 1.00 0.00 C ATOM 877 CD GLN A 54 9.726 -9.192 -13.497 1.00 0.00 C ATOM 878 OE1 GLN A 54 8.703 -9.745 -13.881 1.00 0.00 O ATOM 879 NE2 GLN A 54 10.830 -9.328 -14.205 1.00 0.00 N ATOM 0 H GLN A 54 12.177 -7.089 -10.077 1.00 0.00 H new ATOM 0 HA GLN A 54 9.474 -8.079 -9.443 1.00 0.00 H new ATOM 0 HB2 GLN A 54 11.541 -9.246 -11.383 1.00 0.00 H new ATOM 0 HB3 GLN A 54 10.048 -10.041 -10.922 1.00 0.00 H new ATOM 0 HG2 GLN A 54 8.755 -8.110 -11.913 1.00 0.00 H new ATOM 0 HG3 GLN A 54 10.267 -7.399 -12.440 1.00 0.00 H new ATOM 0 HE21 GLN A 54 11.691 -8.874 -13.900 1.00 0.00 H new ATOM 0 HE22 GLN A 54 10.823 -9.887 -15.058 1.00 0.00 H new ATOM 888 N ALA A 55 12.152 -8.558 -7.947 1.00 0.00 N ATOM 889 CA ALA A 55 12.890 -9.244 -6.892 1.00 0.00 C ATOM 890 C ALA A 55 12.127 -9.235 -5.554 1.00 0.00 C ATOM 891 O ALA A 55 11.606 -10.272 -5.136 1.00 0.00 O ATOM 892 CB ALA A 55 14.295 -8.633 -6.789 1.00 0.00 C ATOM 0 H ALA A 55 12.470 -7.602 -8.105 1.00 0.00 H new ATOM 0 HA ALA A 55 12.994 -10.298 -7.148 1.00 0.00 H new ATOM 0 HB1 ALA A 55 14.855 -9.139 -6.003 1.00 0.00 H new ATOM 0 HB2 ALA A 55 14.815 -8.753 -7.740 1.00 0.00 H new ATOM 0 HB3 ALA A 55 14.214 -7.572 -6.551 1.00 0.00 H new ATOM 898 N GLY A 56 12.066 -8.089 -4.866 1.00 0.00 N ATOM 899 CA GLY A 56 11.411 -7.933 -3.564 1.00 0.00 C ATOM 900 C GLY A 56 12.214 -8.572 -2.428 1.00 0.00 C ATOM 901 O GLY A 56 12.836 -7.879 -1.625 1.00 0.00 O ATOM 0 H GLY A 56 12.482 -7.223 -5.209 1.00 0.00 H new ATOM 0 HA2 GLY A 56 11.271 -6.872 -3.355 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.419 -8.383 -3.603 1.00 0.00 H new ATOM 905 N LYS A 57 12.218 -9.912 -2.387 1.00 0.00 N ATOM 906 CA LYS A 57 12.899 -10.790 -1.418 1.00 0.00 C ATOM 907 C LYS A 57 14.332 -10.357 -1.081 1.00 0.00 C ATOM 908 O LYS A 57 14.686 -10.261 0.095 1.00 0.00 O ATOM 909 CB LYS A 57 12.921 -12.232 -1.959 1.00 0.00 C ATOM 910 CG LYS A 57 11.550 -12.890 -2.167 1.00 0.00 C ATOM 911 CD LYS A 57 10.787 -13.116 -0.855 1.00 0.00 C ATOM 912 CE LYS A 57 9.624 -14.075 -1.127 1.00 0.00 C ATOM 913 NZ LYS A 57 8.987 -14.554 0.122 1.00 0.00 N ATOM 0 H LYS A 57 11.706 -10.454 -3.083 1.00 0.00 H new ATOM 0 HA LYS A 57 12.328 -10.721 -0.492 1.00 0.00 H new ATOM 0 HB2 LYS A 57 13.452 -12.234 -2.911 1.00 0.00 H new ATOM 0 HB3 LYS A 57 13.498 -12.849 -1.270 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.949 -12.264 -2.827 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.685 -13.847 -2.671 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.451 -13.532 -0.097 1.00 0.00 H new ATOM 0 HD3 LYS A 57 10.414 -12.169 -0.466 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.878 -13.573 -1.743 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.987 -14.930 -1.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.217 -15.213 -0.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.695 -15.042 0.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.602 -13.744 0.648 1.00 0.00 H new ATOM 927 N ALA A 58 15.149 -10.139 -2.114 1.00 0.00 N ATOM 928 CA ALA A 58 16.570 -9.789 -2.023 1.00 0.00 C ATOM 929 C ALA A 58 16.928 -8.427 -2.657 1.00 0.00 C ATOM 930 O ALA A 58 18.111 -8.132 -2.866 1.00 0.00 O ATOM 931 CB ALA A 58 17.358 -10.941 -2.661 1.00 0.00 C ATOM 0 H ALA A 58 14.825 -10.204 -3.079 1.00 0.00 H new ATOM 0 HA ALA A 58 16.835 -9.662 -0.973 1.00 0.00 H new ATOM 0 HB1 ALA A 58 18.425 -10.722 -2.615 1.00 0.00 H new ATOM 0 HB2 ALA A 58 17.154 -11.865 -2.120 1.00 0.00 H new ATOM 0 HB3 ALA A 58 17.056 -11.056 -3.702 1.00 0.00 H new ATOM 937 N CYS A 59 15.931 -7.581 -2.941 1.00 0.00 N ATOM 938 CA CYS A 59 16.134 -6.244 -3.491 1.00 0.00 C ATOM 939 C CYS A 59 16.881 -5.352 -2.476 1.00 0.00 C ATOM 940 O CYS A 59 16.679 -5.443 -1.258 1.00 0.00 O ATOM 941 CB CYS A 59 14.780 -5.653 -3.914 1.00 0.00 C ATOM 942 SG CYS A 59 15.021 -4.262 -5.068 1.00 0.00 S ATOM 0 H CYS A 59 14.949 -7.813 -2.792 1.00 0.00 H new ATOM 0 HA CYS A 59 16.762 -6.298 -4.380 1.00 0.00 H new ATOM 0 HB2 CYS A 59 14.172 -6.424 -4.387 1.00 0.00 H new ATOM 0 HB3 CYS A 59 14.235 -5.312 -3.034 1.00 0.00 H new ATOM 0 HG CYS A 59 14.272 -4.433 -6.116 1.00 0.00 H new ATOM 947 N GLN A 60 17.764 -4.494 -2.987 1.00 0.00 N ATOM 948 CA GLN A 60 18.578 -3.557 -2.202 1.00 0.00 C ATOM 949 C GLN A 60 17.709 -2.559 -1.419 1.00 0.00 C ATOM 950 O GLN A 60 17.993 -2.251 -0.258 1.00 0.00 O ATOM 951 CB GLN A 60 19.568 -2.813 -3.112 1.00 0.00 C ATOM 952 CG GLN A 60 20.599 -3.756 -3.752 1.00 0.00 C ATOM 953 CD GLN A 60 21.635 -2.983 -4.564 1.00 0.00 C ATOM 954 OE1 GLN A 60 21.532 -2.828 -5.775 1.00 0.00 O ATOM 955 NE2 GLN A 60 22.671 -2.465 -3.937 1.00 0.00 N ATOM 0 H GLN A 60 17.940 -4.427 -3.989 1.00 0.00 H new ATOM 0 HA GLN A 60 19.139 -4.142 -1.473 1.00 0.00 H new ATOM 0 HB2 GLN A 60 19.017 -2.295 -3.897 1.00 0.00 H new ATOM 0 HB3 GLN A 60 20.088 -2.051 -2.532 1.00 0.00 H new ATOM 0 HG2 GLN A 60 21.100 -4.331 -2.973 1.00 0.00 H new ATOM 0 HG3 GLN A 60 20.089 -4.471 -4.397 1.00 0.00 H new ATOM 0 HE21 GLN A 60 22.770 -2.586 -2.929 1.00 0.00 H new ATOM 0 HE22 GLN A 60 23.374 -1.943 -4.459 1.00 0.00 H new ATOM 964 N VAL A 61 16.644 -2.060 -2.052 1.00 0.00 N ATOM 965 CA VAL A 61 15.664 -1.135 -1.467 1.00 0.00 C ATOM 966 C VAL A 61 14.816 -1.895 -0.437 1.00 0.00 C ATOM 967 O VAL A 61 14.056 -2.794 -0.794 1.00 0.00 O ATOM 968 CB VAL A 61 14.766 -0.521 -2.564 1.00 0.00 C ATOM 969 CG1 VAL A 61 13.785 0.504 -1.975 1.00 0.00 C ATOM 970 CG2 VAL A 61 15.595 0.200 -3.639 1.00 0.00 C ATOM 0 H VAL A 61 16.431 -2.296 -3.021 1.00 0.00 H new ATOM 0 HA VAL A 61 16.189 -0.316 -0.975 1.00 0.00 H new ATOM 0 HB VAL A 61 14.222 -1.355 -3.009 1.00 0.00 H new ATOM 0 HG11 VAL A 61 13.168 0.917 -2.773 1.00 0.00 H new ATOM 0 HG12 VAL A 61 13.147 0.015 -1.239 1.00 0.00 H new ATOM 0 HG13 VAL A 61 14.343 1.308 -1.495 1.00 0.00 H new ATOM 0 HG21 VAL A 61 14.928 0.618 -4.393 1.00 0.00 H new ATOM 0 HG22 VAL A 61 16.170 1.003 -3.177 1.00 0.00 H new ATOM 0 HG23 VAL A 61 16.276 -0.509 -4.110 1.00 0.00 H new ATOM 980 N ALA A 62 14.926 -1.539 0.847 1.00 0.00 N ATOM 981 CA ALA A 62 14.170 -2.175 1.933 1.00 0.00 C ATOM 982 C ALA A 62 12.653 -2.164 1.667 1.00 0.00 C ATOM 983 O ALA A 62 11.978 -3.189 1.770 1.00 0.00 O ATOM 984 CB ALA A 62 14.517 -1.477 3.254 1.00 0.00 C ATOM 0 H ALA A 62 15.547 -0.795 1.165 1.00 0.00 H new ATOM 0 HA ALA A 62 14.456 -3.225 1.993 1.00 0.00 H new ATOM 0 HB1 ALA A 62 13.961 -1.942 4.068 1.00 0.00 H new ATOM 0 HB2 ALA A 62 15.586 -1.571 3.445 1.00 0.00 H new ATOM 0 HB3 ALA A 62 14.251 -0.422 3.189 1.00 0.00 H new ATOM 990 N HIS A 63 12.131 -0.987 1.303 1.00 0.00 N ATOM 991 CA HIS A 63 10.718 -0.734 0.995 1.00 0.00 C ATOM 992 C HIS A 63 10.142 -1.615 -0.127 1.00 0.00 C ATOM 993 O HIS A 63 8.945 -1.894 -0.085 1.00 0.00 O ATOM 994 CB HIS A 63 10.510 0.756 0.696 1.00 0.00 C ATOM 995 CG HIS A 63 11.091 1.697 1.727 1.00 0.00 C ATOM 996 ND1 HIS A 63 10.927 1.616 3.100 1.00 0.00 N ATOM 997 CD2 HIS A 63 11.886 2.777 1.456 1.00 0.00 C ATOM 998 CE1 HIS A 63 11.621 2.632 3.653 1.00 0.00 C ATOM 999 NE2 HIS A 63 12.211 3.352 2.674 1.00 0.00 N ATOM 0 H HIS A 63 12.706 -0.149 1.211 1.00 0.00 H new ATOM 0 HA HIS A 63 10.155 -1.016 1.885 1.00 0.00 H new ATOM 0 HB2 HIS A 63 10.954 0.983 -0.273 1.00 0.00 H new ATOM 0 HB3 HIS A 63 9.441 0.949 0.610 1.00 0.00 H new ATOM 0 HD2 HIS A 63 12.200 3.116 0.480 1.00 0.00 H new ATOM 0 HE1 HIS A 63 11.693 2.837 4.711 1.00 0.00 H new ATOM 0 HE2 HIS A 63 12.795 4.177 2.808 1.00 0.00 H new ATOM 1008 N CYS A 64 10.947 -2.062 -1.102 1.00 0.00 N ATOM 1009 CA CYS A 64 10.527 -2.957 -2.193 1.00 0.00 C ATOM 1010 C CYS A 64 9.935 -4.258 -1.604 1.00 0.00 C ATOM 1011 O CYS A 64 8.810 -4.652 -1.923 1.00 0.00 O ATOM 1012 CB CYS A 64 11.729 -3.191 -3.129 1.00 0.00 C ATOM 1013 SG CYS A 64 11.303 -4.140 -4.625 1.00 0.00 S ATOM 0 H CYS A 64 11.933 -1.805 -1.156 1.00 0.00 H new ATOM 0 HA CYS A 64 9.734 -2.509 -2.791 1.00 0.00 H new ATOM 0 HB2 CYS A 64 12.144 -2.227 -3.424 1.00 0.00 H new ATOM 0 HB3 CYS A 64 12.509 -3.720 -2.582 1.00 0.00 H new ATOM 0 HG CYS A 64 11.605 -3.444 -5.681 1.00 0.00 H new ATOM 1018 N ALA A 65 10.657 -4.885 -0.666 1.00 0.00 N ATOM 1019 CA ALA A 65 10.200 -6.061 0.071 1.00 0.00 C ATOM 1020 C ALA A 65 8.862 -5.795 0.792 1.00 0.00 C ATOM 1021 O ALA A 65 7.906 -6.559 0.630 1.00 0.00 O ATOM 1022 CB ALA A 65 11.288 -6.492 1.062 1.00 0.00 C ATOM 0 H ALA A 65 11.592 -4.580 -0.396 1.00 0.00 H new ATOM 0 HA ALA A 65 10.020 -6.870 -0.637 1.00 0.00 H new ATOM 0 HB1 ALA A 65 10.951 -7.369 1.614 1.00 0.00 H new ATOM 0 HB2 ALA A 65 12.201 -6.735 0.518 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.487 -5.679 1.760 1.00 0.00 H new ATOM 1028 N SER A 66 8.797 -4.719 1.587 1.00 0.00 N ATOM 1029 CA SER A 66 7.619 -4.311 2.366 1.00 0.00 C ATOM 1030 C SER A 66 6.383 -4.075 1.491 1.00 0.00 C ATOM 1031 O SER A 66 5.377 -4.769 1.637 1.00 0.00 O ATOM 1032 CB SER A 66 7.884 -3.049 3.218 1.00 0.00 C ATOM 1033 OG SER A 66 9.253 -2.781 3.449 1.00 0.00 O ATOM 0 H SER A 66 9.588 -4.087 1.710 1.00 0.00 H new ATOM 0 HA SER A 66 7.418 -5.150 3.032 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.436 -2.189 2.721 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.380 -3.161 4.178 1.00 0.00 H new ATOM 0 HG SER A 66 9.611 -3.434 4.085 1.00 0.00 H new ATOM 1039 N SER A 67 6.449 -3.084 0.594 1.00 0.00 N ATOM 1040 CA SER A 67 5.376 -2.625 -0.303 1.00 0.00 C ATOM 1041 C SER A 67 4.684 -3.740 -1.090 1.00 0.00 C ATOM 1042 O SER A 67 3.454 -3.770 -1.158 1.00 0.00 O ATOM 1043 CB SER A 67 5.858 -1.490 -1.213 1.00 0.00 C ATOM 1044 OG SER A 67 7.005 -1.845 -1.952 1.00 0.00 O ATOM 0 H SER A 67 7.306 -2.546 0.465 1.00 0.00 H new ATOM 0 HA SER A 67 4.599 -2.231 0.352 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.058 -1.213 -1.900 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.077 -0.610 -0.608 1.00 0.00 H new ATOM 0 HG SER A 67 7.808 -1.630 -1.433 1.00 0.00 H new ATOM 1050 N ARG A 68 5.438 -4.694 -1.644 1.00 0.00 N ATOM 1051 CA ARG A 68 4.866 -5.867 -2.325 1.00 0.00 C ATOM 1052 C ARG A 68 3.992 -6.670 -1.358 1.00 0.00 C ATOM 1053 O ARG A 68 2.839 -6.973 -1.662 1.00 0.00 O ATOM 1054 CB ARG A 68 5.990 -6.728 -2.910 1.00 0.00 C ATOM 1055 CG ARG A 68 6.734 -6.006 -4.039 1.00 0.00 C ATOM 1056 CD ARG A 68 7.997 -6.787 -4.418 1.00 0.00 C ATOM 1057 NE ARG A 68 8.888 -5.992 -5.270 1.00 0.00 N ATOM 1058 CZ ARG A 68 8.727 -5.647 -6.524 1.00 0.00 C ATOM 1059 NH1 ARG A 68 7.706 -5.997 -7.252 1.00 0.00 N ATOM 1060 NH2 ARG A 68 9.614 -4.913 -7.089 1.00 0.00 N ATOM 0 H ARG A 68 6.458 -4.679 -1.635 1.00 0.00 H new ATOM 0 HA ARG A 68 4.231 -5.533 -3.146 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.694 -6.991 -2.121 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.573 -7.661 -3.289 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.084 -5.906 -4.908 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.001 -4.998 -3.723 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.527 -7.084 -3.513 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.717 -7.703 -4.938 1.00 0.00 H new ATOM 0 HE ARG A 68 9.747 -5.664 -4.828 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.968 -6.576 -6.851 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.644 -5.692 -8.224 1.00 0.00 H new ATOM 0 HH21 ARG A 68 10.432 -4.605 -6.563 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.502 -4.637 -8.064 1.00 0.00 H new ATOM 1074 N GLN A 69 4.531 -7.004 -0.185 1.00 0.00 N ATOM 1075 CA GLN A 69 3.873 -7.770 0.880 1.00 0.00 C ATOM 1076 C GLN A 69 2.566 -7.129 1.375 1.00 0.00 C ATOM 1077 O GLN A 69 1.532 -7.795 1.365 1.00 0.00 O ATOM 1078 CB GLN A 69 4.870 -7.999 2.030 1.00 0.00 C ATOM 1079 CG GLN A 69 4.735 -9.379 2.689 1.00 0.00 C ATOM 1080 CD GLN A 69 3.458 -9.655 3.489 1.00 0.00 C ATOM 1081 OE1 GLN A 69 3.005 -10.785 3.571 1.00 0.00 O ATOM 1082 NE2 GLN A 69 2.839 -8.687 4.135 1.00 0.00 N ATOM 0 H GLN A 69 5.484 -6.736 0.062 1.00 0.00 H new ATOM 0 HA GLN A 69 3.574 -8.731 0.462 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.885 -7.884 1.649 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.724 -7.228 2.786 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.813 -10.135 1.907 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.587 -9.519 3.355 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.194 -7.732 4.085 1.00 0.00 H new ATOM 0 HE22 GLN A 69 2.005 -8.893 4.685 1.00 0.00 H new ATOM 1091 N ILE A 70 2.582 -5.857 1.807 1.00 0.00 N ATOM 1092 CA ILE A 70 1.366 -5.162 2.288 1.00 0.00 C ATOM 1093 C ILE A 70 0.205 -5.230 1.280 1.00 0.00 C ATOM 1094 O ILE A 70 -0.930 -5.516 1.669 1.00 0.00 O ATOM 1095 CB ILE A 70 1.602 -3.711 2.789 1.00 0.00 C ATOM 1096 CG1 ILE A 70 2.753 -2.943 2.124 1.00 0.00 C ATOM 1097 CG2 ILE A 70 1.759 -3.718 4.318 1.00 0.00 C ATOM 1098 CD1 ILE A 70 2.707 -1.422 2.317 1.00 0.00 C ATOM 0 H ILE A 70 3.425 -5.283 1.835 1.00 0.00 H new ATOM 0 HA ILE A 70 1.072 -5.728 3.172 1.00 0.00 H new ATOM 0 HB ILE A 70 0.715 -3.155 2.486 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.697 -3.317 2.520 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.747 -3.160 1.056 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.925 -2.700 4.671 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.854 -4.118 4.775 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.610 -4.341 4.594 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.559 -0.965 1.813 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.782 -1.029 1.894 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.747 -1.189 3.381 1.00 0.00 H new ATOM 1110 N ILE A 71 0.473 -5.007 -0.011 1.00 0.00 N ATOM 1111 CA ILE A 71 -0.551 -5.114 -1.066 1.00 0.00 C ATOM 1112 C ILE A 71 -0.957 -6.570 -1.299 1.00 0.00 C ATOM 1113 O ILE A 71 -2.147 -6.836 -1.454 1.00 0.00 O ATOM 1114 CB ILE A 71 -0.121 -4.373 -2.346 1.00 0.00 C ATOM 1115 CG1 ILE A 71 0.190 -2.894 -2.032 1.00 0.00 C ATOM 1116 CG2 ILE A 71 -1.196 -4.439 -3.444 1.00 0.00 C ATOM 1117 CD1 ILE A 71 -0.861 -2.144 -1.188 1.00 0.00 C ATOM 0 H ILE A 71 1.397 -4.749 -0.356 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.453 -4.607 -0.725 1.00 0.00 H new ATOM 0 HB ILE A 71 0.774 -4.873 -2.715 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.146 -2.848 -1.510 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.316 -2.362 -2.975 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.848 -3.903 -4.327 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.387 -5.480 -3.704 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.116 -3.981 -3.081 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.535 -1.116 -1.032 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.817 -2.146 -1.711 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.974 -2.639 -0.224 1.00 0.00 H new ATOM 1129 N SER A 72 -0.012 -7.520 -1.253 1.00 0.00 N ATOM 1130 CA SER A 72 -0.305 -8.965 -1.327 1.00 0.00 C ATOM 1131 C SER A 72 -1.359 -9.344 -0.287 1.00 0.00 C ATOM 1132 O SER A 72 -2.327 -10.032 -0.615 1.00 0.00 O ATOM 1133 CB SER A 72 0.925 -9.848 -1.088 1.00 0.00 C ATOM 1134 OG SER A 72 2.012 -9.502 -1.912 1.00 0.00 O ATOM 0 H SER A 72 0.982 -7.310 -1.163 1.00 0.00 H new ATOM 0 HA SER A 72 -0.661 -9.142 -2.342 1.00 0.00 H new ATOM 0 HB2 SER A 72 1.227 -9.768 -0.044 1.00 0.00 H new ATOM 0 HB3 SER A 72 0.658 -10.890 -1.264 1.00 0.00 H new ATOM 0 HG SER A 72 2.462 -8.712 -1.545 1.00 0.00 H new ATOM 1140 N HIS A 73 -1.183 -8.878 0.955 1.00 0.00 N ATOM 1141 CA HIS A 73 -2.135 -9.087 2.039 1.00 0.00 C ATOM 1142 C HIS A 73 -3.492 -8.469 1.678 1.00 0.00 C ATOM 1143 O HIS A 73 -4.444 -9.222 1.498 1.00 0.00 O ATOM 1144 CB HIS A 73 -1.587 -8.572 3.379 1.00 0.00 C ATOM 1145 CG HIS A 73 -2.446 -8.975 4.561 1.00 0.00 C ATOM 1146 ND1 HIS A 73 -2.084 -9.855 5.555 1.00 0.00 N ATOM 1147 CD2 HIS A 73 -3.725 -8.556 4.836 1.00 0.00 C ATOM 1148 CE1 HIS A 73 -3.121 -9.966 6.406 1.00 0.00 C ATOM 1149 NE2 HIS A 73 -4.151 -9.193 6.011 1.00 0.00 N ATOM 0 H HIS A 73 -0.363 -8.339 1.233 1.00 0.00 H new ATOM 0 HA HIS A 73 -2.287 -10.158 2.169 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -0.576 -8.954 3.524 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -1.515 -7.485 3.343 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -1.189 -10.338 5.633 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.303 -7.857 4.249 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -3.126 -10.591 7.287 1.00 0.00 H new ATOM 1157 N TRP A 74 -3.603 -7.136 1.552 1.00 0.00 N ATOM 1158 CA TRP A 74 -4.882 -6.458 1.265 1.00 0.00 C ATOM 1159 C TRP A 74 -5.653 -7.035 0.064 1.00 0.00 C ATOM 1160 O TRP A 74 -6.868 -7.237 0.146 1.00 0.00 O ATOM 1161 CB TRP A 74 -4.713 -4.935 1.140 1.00 0.00 C ATOM 1162 CG TRP A 74 -6.018 -4.183 1.157 1.00 0.00 C ATOM 1163 CD1 TRP A 74 -7.000 -4.383 2.065 1.00 0.00 C ATOM 1164 CD2 TRP A 74 -6.527 -3.142 0.259 1.00 0.00 C ATOM 1165 NE1 TRP A 74 -8.091 -3.588 1.775 1.00 0.00 N ATOM 1166 CE2 TRP A 74 -7.852 -2.796 0.675 1.00 0.00 C ATOM 1167 CE3 TRP A 74 -6.010 -2.444 -0.856 1.00 0.00 C ATOM 1168 CZ2 TRP A 74 -8.624 -1.824 0.018 1.00 0.00 C ATOM 1169 CZ3 TRP A 74 -6.767 -1.446 -1.503 1.00 0.00 C ATOM 1170 CH2 TRP A 74 -8.070 -1.140 -1.069 1.00 0.00 C ATOM 0 H TRP A 74 -2.812 -6.498 1.646 1.00 0.00 H new ATOM 0 HA TRP A 74 -5.504 -6.662 2.137 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -4.087 -4.578 1.958 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -4.185 -4.711 0.213 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -6.939 -5.067 2.898 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -8.961 -3.588 2.307 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.020 -2.679 -1.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -9.630 -1.608 0.347 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -6.343 -0.911 -2.340 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -8.642 -0.377 -1.575 1.00 0.00 H new ATOM 1181 N LYS A 75 -4.960 -7.328 -1.048 1.00 0.00 N ATOM 1182 CA LYS A 75 -5.521 -7.929 -2.269 1.00 0.00 C ATOM 1183 C LYS A 75 -6.251 -9.248 -1.980 1.00 0.00 C ATOM 1184 O LYS A 75 -7.392 -9.433 -2.406 1.00 0.00 O ATOM 1185 CB LYS A 75 -4.390 -8.124 -3.299 1.00 0.00 C ATOM 1186 CG LYS A 75 -4.826 -8.764 -4.628 1.00 0.00 C ATOM 1187 CD LYS A 75 -5.775 -7.868 -5.438 1.00 0.00 C ATOM 1188 CE LYS A 75 -6.015 -8.396 -6.860 1.00 0.00 C ATOM 1189 NZ LYS A 75 -6.781 -9.671 -6.875 1.00 0.00 N ATOM 0 H LYS A 75 -3.959 -7.147 -1.124 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.270 -7.252 -2.679 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.940 -7.154 -3.510 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.614 -8.745 -2.851 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -3.942 -8.984 -5.227 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.318 -9.715 -4.424 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -6.729 -7.791 -4.917 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.360 -6.862 -5.493 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.555 -7.645 -7.436 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.055 -8.547 -7.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -6.915 -9.984 -7.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.255 -10.398 -6.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.709 -9.524 -6.429 1.00 0.00 H new ATOM 1203 N ASN A 76 -5.578 -10.173 -1.295 1.00 0.00 N ATOM 1204 CA ASN A 76 -6.095 -11.503 -0.963 1.00 0.00 C ATOM 1205 C ASN A 76 -7.045 -11.533 0.250 1.00 0.00 C ATOM 1206 O ASN A 76 -7.949 -12.369 0.280 1.00 0.00 O ATOM 1207 CB ASN A 76 -4.916 -12.464 -0.777 1.00 0.00 C ATOM 1208 CG ASN A 76 -4.229 -12.744 -2.102 1.00 0.00 C ATOM 1209 OD1 ASN A 76 -4.724 -13.489 -2.934 1.00 0.00 O ATOM 1210 ND2 ASN A 76 -3.093 -12.140 -2.359 1.00 0.00 N ATOM 0 H ASN A 76 -4.633 -10.015 -0.946 1.00 0.00 H new ATOM 0 HA ASN A 76 -6.716 -11.824 -1.800 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -4.200 -12.036 -0.075 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -5.269 -13.399 -0.341 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -2.625 -12.293 -3.252 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -2.678 -11.518 -1.666 1.00 0.00 H new ATOM 1217 N CYS A 77 -6.833 -10.683 1.259 1.00 0.00 N ATOM 1218 CA CYS A 77 -7.600 -10.637 2.503 1.00 0.00 C ATOM 1219 C CYS A 77 -9.118 -10.474 2.272 1.00 0.00 C ATOM 1220 O CYS A 77 -9.605 -9.496 1.691 1.00 0.00 O ATOM 1221 CB CYS A 77 -7.010 -9.556 3.425 1.00 0.00 C ATOM 1222 SG CYS A 77 -7.572 -9.746 5.149 1.00 0.00 S ATOM 0 H CYS A 77 -6.093 -9.982 1.228 1.00 0.00 H new ATOM 0 HA CYS A 77 -7.507 -11.602 3.001 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -5.922 -9.605 3.391 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -7.296 -8.571 3.057 1.00 0.00 H new ATOM 0 HG CYS A 77 -7.232 -8.695 5.835 1.00 0.00 H new ATOM 1227 N THR A 78 -9.859 -11.475 2.748 1.00 0.00 N ATOM 1228 CA THR A 78 -11.328 -11.609 2.727 1.00 0.00 C ATOM 1229 C THR A 78 -11.847 -12.017 4.116 1.00 0.00 C ATOM 1230 O THR A 78 -12.936 -12.579 4.267 1.00 0.00 O ATOM 1231 CB THR A 78 -11.784 -12.604 1.637 1.00 0.00 C ATOM 1232 OG1 THR A 78 -11.076 -13.828 1.717 1.00 0.00 O ATOM 1233 CG2 THR A 78 -11.585 -12.038 0.230 1.00 0.00 C ATOM 0 H THR A 78 -9.419 -12.280 3.195 1.00 0.00 H new ATOM 0 HA THR A 78 -11.758 -10.639 2.476 1.00 0.00 H new ATOM 0 HB THR A 78 -12.845 -12.776 1.818 1.00 0.00 H new ATOM 0 HG1 THR A 78 -11.390 -14.434 1.014 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.918 -12.769 -0.507 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.166 -11.122 0.121 1.00 0.00 H new ATOM 0 HG23 THR A 78 -10.529 -11.819 0.072 1.00 0.00 H new ATOM 1241 N ARG A 79 -11.056 -11.710 5.153 1.00 0.00 N ATOM 1242 CA ARG A 79 -11.299 -11.952 6.580 1.00 0.00 C ATOM 1243 C ARG A 79 -12.519 -11.166 7.080 1.00 0.00 C ATOM 1244 O ARG A 79 -12.791 -10.065 6.594 1.00 0.00 O ATOM 1245 CB ARG A 79 -10.003 -11.547 7.313 1.00 0.00 C ATOM 1246 CG ARG A 79 -9.999 -11.824 8.820 1.00 0.00 C ATOM 1247 CD ARG A 79 -8.613 -11.572 9.439 1.00 0.00 C ATOM 1248 NE ARG A 79 -7.624 -12.594 9.031 1.00 0.00 N ATOM 1249 CZ ARG A 79 -6.585 -12.447 8.221 1.00 0.00 C ATOM 1250 NH1 ARG A 79 -6.219 -11.311 7.718 1.00 0.00 N ATOM 1251 NH2 ARG A 79 -5.868 -13.487 7.893 1.00 0.00 N ATOM 0 H ARG A 79 -10.158 -11.249 5.003 1.00 0.00 H new ATOM 0 HA ARG A 79 -11.534 -12.999 6.771 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -9.166 -12.077 6.859 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -9.831 -10.483 7.154 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -10.737 -11.189 9.309 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -10.297 -12.857 9.001 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -8.258 -10.586 9.141 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -8.698 -11.565 10.526 1.00 0.00 H new ATOM 0 HE ARG A 79 -7.758 -13.527 9.421 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -6.741 -10.463 7.940 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -5.409 -11.264 7.100 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -6.108 -14.408 8.260 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -5.068 -13.379 7.270 1.00 0.00 H new ATOM 1265 N HIS A 80 -13.239 -11.717 8.067 1.00 0.00 N ATOM 1266 CA HIS A 80 -14.419 -11.093 8.700 1.00 0.00 C ATOM 1267 C HIS A 80 -14.108 -9.661 9.163 1.00 0.00 C ATOM 1268 O HIS A 80 -14.816 -8.719 8.809 1.00 0.00 O ATOM 1269 CB HIS A 80 -14.933 -11.970 9.854 1.00 0.00 C ATOM 1270 CG HIS A 80 -15.284 -13.378 9.436 1.00 0.00 C ATOM 1271 ND1 HIS A 80 -14.748 -14.539 9.967 1.00 0.00 N ATOM 1272 CD2 HIS A 80 -16.188 -13.727 8.470 1.00 0.00 C ATOM 1273 CE1 HIS A 80 -15.320 -15.580 9.327 1.00 0.00 C ATOM 1274 NE2 HIS A 80 -16.196 -15.111 8.412 1.00 0.00 N ATOM 0 H HIS A 80 -13.015 -12.631 8.460 1.00 0.00 H new ATOM 0 HA HIS A 80 -15.214 -11.021 7.957 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -14.173 -12.011 10.634 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -15.814 -11.500 10.291 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -16.781 -13.054 7.869 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -15.111 -16.622 9.516 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -16.766 -15.679 7.785 1.00 0.00 H new ATOM 1283 N ASP A 81 -13.017 -9.508 9.915 1.00 0.00 N ATOM 1284 CA ASP A 81 -12.457 -8.230 10.354 1.00 0.00 C ATOM 1285 C ASP A 81 -10.924 -8.325 10.492 1.00 0.00 C ATOM 1286 O ASP A 81 -10.399 -9.257 11.108 1.00 0.00 O ATOM 1287 CB ASP A 81 -13.134 -7.716 11.639 1.00 0.00 C ATOM 1288 CG ASP A 81 -12.599 -8.340 12.940 1.00 0.00 C ATOM 1289 OD1 ASP A 81 -13.026 -9.463 13.303 1.00 0.00 O ATOM 1290 OD2 ASP A 81 -11.788 -7.679 13.635 1.00 0.00 O ATOM 0 H ASP A 81 -12.477 -10.306 10.249 1.00 0.00 H new ATOM 0 HA ASP A 81 -12.669 -7.487 9.585 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -13.009 -6.635 11.692 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -14.205 -7.910 11.572 1.00 0.00 H new ATOM 1295 N CYS A 82 -10.219 -7.352 9.914 1.00 0.00 N ATOM 1296 CA CYS A 82 -8.767 -7.177 9.930 1.00 0.00 C ATOM 1297 C CYS A 82 -8.543 -5.684 10.298 1.00 0.00 C ATOM 1298 O CYS A 82 -9.344 -4.840 9.872 1.00 0.00 O ATOM 1299 CB CYS A 82 -8.234 -7.535 8.529 1.00 0.00 C ATOM 1300 SG CYS A 82 -6.610 -8.360 8.494 1.00 0.00 S ATOM 0 H CYS A 82 -10.681 -6.613 9.385 1.00 0.00 H new ATOM 0 HA CYS A 82 -8.242 -7.813 10.643 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -8.961 -8.181 8.037 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -8.170 -6.621 7.939 1.00 0.00 H new ATOM 0 HG CYS A 82 -5.938 -7.951 7.459 1.00 0.00 H new ATOM 1305 N PRO A 83 -7.518 -5.310 11.087 1.00 0.00 N ATOM 1306 CA PRO A 83 -7.322 -3.933 11.565 1.00 0.00 C ATOM 1307 C PRO A 83 -7.075 -2.858 10.490 1.00 0.00 C ATOM 1308 O PRO A 83 -7.050 -1.670 10.827 1.00 0.00 O ATOM 1309 CB PRO A 83 -6.164 -4.015 12.569 1.00 0.00 C ATOM 1310 CG PRO A 83 -5.394 -5.255 12.117 1.00 0.00 C ATOM 1311 CD PRO A 83 -6.504 -6.186 11.646 1.00 0.00 C ATOM 0 HA PRO A 83 -8.256 -3.584 12.006 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -5.541 -3.121 12.538 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -6.525 -4.117 13.592 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -4.691 -5.025 11.316 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -4.817 -5.693 12.932 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -6.137 -6.891 10.900 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -6.903 -6.774 12.472 1.00 0.00 H new ATOM 1319 N VAL A 84 -6.908 -3.232 9.216 1.00 0.00 N ATOM 1320 CA VAL A 84 -6.695 -2.298 8.094 1.00 0.00 C ATOM 1321 C VAL A 84 -7.599 -2.658 6.916 1.00 0.00 C ATOM 1322 O VAL A 84 -8.317 -1.802 6.400 1.00 0.00 O ATOM 1323 CB VAL A 84 -5.223 -2.221 7.631 1.00 0.00 C ATOM 1324 CG1 VAL A 84 -4.964 -0.810 7.086 1.00 0.00 C ATOM 1325 CG2 VAL A 84 -4.209 -2.517 8.741 1.00 0.00 C ATOM 0 H VAL A 84 -6.917 -4.210 8.926 1.00 0.00 H new ATOM 0 HA VAL A 84 -6.957 -1.309 8.469 1.00 0.00 H new ATOM 0 HB VAL A 84 -5.084 -2.990 6.871 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.929 -0.733 6.753 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -5.631 -0.616 6.246 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.148 -0.077 7.872 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.198 -2.444 8.340 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.332 -1.795 9.548 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.374 -3.523 9.126 1.00 0.00 H new ATOM 1335 N CYS A 85 -7.577 -3.920 6.491 1.00 0.00 N ATOM 1336 CA CYS A 85 -8.343 -4.467 5.384 1.00 0.00 C ATOM 1337 C CYS A 85 -9.849 -4.171 5.489 1.00 0.00 C ATOM 1338 O CYS A 85 -10.440 -3.700 4.518 1.00 0.00 O ATOM 1339 CB CYS A 85 -8.044 -5.972 5.292 1.00 0.00 C ATOM 1340 SG CYS A 85 -6.263 -6.337 5.506 1.00 0.00 S ATOM 0 H CYS A 85 -6.990 -4.624 6.938 1.00 0.00 H new ATOM 0 HA CYS A 85 -8.035 -3.976 4.461 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -8.616 -6.502 6.054 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -8.377 -6.348 4.325 1.00 0.00 H new ATOM 0 HG CYS A 85 -5.674 -6.318 4.347 1.00 0.00 H new ATOM 1345 N LEU A 86 -10.465 -4.426 6.652 1.00 0.00 N ATOM 1346 CA LEU A 86 -11.888 -4.174 6.916 1.00 0.00 C ATOM 1347 C LEU A 86 -12.286 -2.699 6.674 1.00 0.00 C ATOM 1348 O LEU A 86 -13.122 -2.471 5.791 1.00 0.00 O ATOM 1349 CB LEU A 86 -12.267 -4.745 8.299 1.00 0.00 C ATOM 1350 CG LEU A 86 -13.757 -4.758 8.695 1.00 0.00 C ATOM 1351 CD1 LEU A 86 -14.312 -3.381 9.061 1.00 0.00 C ATOM 1352 CD2 LEU A 86 -14.627 -5.402 7.619 1.00 0.00 C ATOM 0 H LEU A 86 -9.975 -4.823 7.454 1.00 0.00 H new ATOM 0 HA LEU A 86 -12.495 -4.711 6.187 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -11.900 -5.770 8.349 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -11.726 -4.176 9.055 1.00 0.00 H new ATOM 0 HG LEU A 86 -13.799 -5.367 9.598 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -15.365 -3.472 9.328 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -13.757 -2.978 9.908 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -14.211 -2.710 8.208 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -15.669 -5.390 7.939 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -14.527 -4.844 6.688 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -14.307 -6.432 7.461 1.00 0.00 H new ATOM 1364 N PRO A 87 -11.741 -1.689 7.393 1.00 0.00 N ATOM 1365 CA PRO A 87 -12.099 -0.287 7.160 1.00 0.00 C ATOM 1366 C PRO A 87 -11.818 0.166 5.716 1.00 0.00 C ATOM 1367 O PRO A 87 -12.650 0.861 5.130 1.00 0.00 O ATOM 1368 CB PRO A 87 -11.359 0.536 8.222 1.00 0.00 C ATOM 1369 CG PRO A 87 -10.210 -0.363 8.670 1.00 0.00 C ATOM 1370 CD PRO A 87 -10.775 -1.773 8.484 1.00 0.00 C ATOM 0 HA PRO A 87 -13.174 -0.138 7.263 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -10.991 1.476 7.810 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -12.014 0.788 9.056 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -9.316 -0.205 8.067 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -9.932 -0.174 9.707 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -9.981 -2.481 8.246 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -11.252 -2.124 9.399 1.00 0.00 H new ATOM 1378 N LEU A 88 -10.694 -0.249 5.114 1.00 0.00 N ATOM 1379 CA LEU A 88 -10.368 0.034 3.708 1.00 0.00 C ATOM 1380 C LEU A 88 -11.433 -0.536 2.755 1.00 0.00 C ATOM 1381 O LEU A 88 -11.921 0.193 1.889 1.00 0.00 O ATOM 1382 CB LEU A 88 -8.985 -0.519 3.353 1.00 0.00 C ATOM 1383 CG LEU A 88 -7.790 0.241 3.943 1.00 0.00 C ATOM 1384 CD1 LEU A 88 -6.525 -0.532 3.578 1.00 0.00 C ATOM 1385 CD2 LEU A 88 -7.663 1.661 3.383 1.00 0.00 C ATOM 0 H LEU A 88 -9.979 -0.796 5.594 1.00 0.00 H new ATOM 0 HA LEU A 88 -10.356 1.117 3.585 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -8.933 -1.555 3.686 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.886 -0.528 2.268 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.934 0.322 5.020 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.654 -0.017 3.984 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.579 -1.537 3.996 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.437 -0.594 2.493 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.802 2.154 3.834 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -7.530 1.615 2.302 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -8.566 2.225 3.614 1.00 0.00 H new ATOM 1397 N LYS A 89 -11.814 -1.814 2.910 1.00 0.00 N ATOM 1398 CA LYS A 89 -12.866 -2.475 2.118 1.00 0.00 C ATOM 1399 C LYS A 89 -14.159 -1.676 2.228 1.00 0.00 C ATOM 1400 O LYS A 89 -14.704 -1.290 1.200 1.00 0.00 O ATOM 1401 CB LYS A 89 -13.030 -3.953 2.530 1.00 0.00 C ATOM 1402 CG LYS A 89 -13.820 -4.834 1.540 1.00 0.00 C ATOM 1403 CD LYS A 89 -15.326 -4.536 1.422 1.00 0.00 C ATOM 1404 CE LYS A 89 -16.047 -5.686 0.707 1.00 0.00 C ATOM 1405 NZ LYS A 89 -17.492 -5.396 0.508 1.00 0.00 N ATOM 0 H LYS A 89 -11.391 -2.430 3.604 1.00 0.00 H new ATOM 0 HA LYS A 89 -12.577 -2.493 1.067 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.039 -4.387 2.665 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -13.528 -3.989 3.499 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -13.371 -4.728 0.553 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -13.698 -5.876 1.835 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -15.753 -4.392 2.414 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -15.477 -3.607 0.873 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -15.576 -5.865 -0.260 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -15.937 -6.601 1.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -17.943 -6.197 0.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -17.947 -5.251 1.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -17.597 -4.537 -0.069 1.00 0.00 H new ATOM 1731 N GLY B 114 8.671 7.261 11.854 1.00 0.00 N ATOM 1732 CA GLY B 114 9.406 7.822 10.717 1.00 0.00 C ATOM 1733 C GLY B 114 9.069 7.032 9.449 1.00 0.00 C ATOM 1734 O GLY B 114 7.914 7.015 9.017 1.00 0.00 O ATOM 0 HA2 GLY B 114 9.145 8.872 10.584 1.00 0.00 H new ATOM 0 HA3 GLY B 114 10.478 7.782 10.909 1.00 0.00 H new ATOM 1738 N LEU B 115 10.052 6.321 8.897 1.00 0.00 N ATOM 1739 CA LEU B 115 9.905 5.378 7.785 1.00 0.00 C ATOM 1740 C LEU B 115 10.690 4.102 8.156 1.00 0.00 C ATOM 1741 O LEU B 115 11.925 4.145 8.188 1.00 0.00 O ATOM 1742 CB LEU B 115 10.404 5.980 6.456 1.00 0.00 C ATOM 1743 CG LEU B 115 9.331 6.747 5.666 1.00 0.00 C ATOM 1744 CD1 LEU B 115 9.963 7.387 4.432 1.00 0.00 C ATOM 1745 CD2 LEU B 115 8.209 5.827 5.175 1.00 0.00 C ATOM 0 H LEU B 115 11.015 6.388 9.226 1.00 0.00 H new ATOM 0 HA LEU B 115 8.852 5.144 7.630 1.00 0.00 H new ATOM 0 HB2 LEU B 115 11.235 6.653 6.665 1.00 0.00 H new ATOM 0 HB3 LEU B 115 10.794 5.177 5.831 1.00 0.00 H new ATOM 0 HG LEU B 115 8.914 7.494 6.341 1.00 0.00 H new ATOM 0 HD11 LEU B 115 9.201 7.930 3.873 1.00 0.00 H new ATOM 0 HD12 LEU B 115 10.747 8.078 4.742 1.00 0.00 H new ATOM 0 HD13 LEU B 115 10.393 6.611 3.799 1.00 0.00 H new ATOM 0 HD21 LEU B 115 7.474 6.412 4.622 1.00 0.00 H new ATOM 0 HD22 LEU B 115 8.627 5.060 4.523 1.00 0.00 H new ATOM 0 HD23 LEU B 115 7.727 5.353 6.030 1.00 0.00 H new ATOM 1757 N PRO B 116 10.015 2.979 8.467 1.00 0.00 N ATOM 1758 CA PRO B 116 10.672 1.741 8.876 1.00 0.00 C ATOM 1759 C PRO B 116 11.272 0.967 7.692 1.00 0.00 C ATOM 1760 O PRO B 116 10.989 1.241 6.522 1.00 0.00 O ATOM 1761 CB PRO B 116 9.564 0.935 9.562 1.00 0.00 C ATOM 1762 CG PRO B 116 8.323 1.321 8.760 1.00 0.00 C ATOM 1763 CD PRO B 116 8.568 2.803 8.477 1.00 0.00 C ATOM 0 HA PRO B 116 11.521 1.938 9.530 1.00 0.00 H new ATOM 0 HB2 PRO B 116 9.757 -0.137 9.519 1.00 0.00 H new ATOM 0 HB3 PRO B 116 9.464 1.199 10.615 1.00 0.00 H new ATOM 0 HG2 PRO B 116 8.235 0.740 7.842 1.00 0.00 H new ATOM 0 HG3 PRO B 116 7.406 1.161 9.327 1.00 0.00 H new ATOM 0 HD2 PRO B 116 8.133 3.094 7.521 1.00 0.00 H new ATOM 0 HD3 PRO B 116 8.105 3.427 9.241 1.00 0.00 H new ATOM 1771 N GLN B 117 12.070 -0.051 8.015 1.00 0.00 N ATOM 1772 CA GLN B 117 12.694 -0.980 7.066 1.00 0.00 C ATOM 1773 C GLN B 117 12.170 -2.394 7.352 1.00 0.00 C ATOM 1774 O GLN B 117 12.915 -3.300 7.734 1.00 0.00 O ATOM 1775 CB GLN B 117 14.228 -0.867 7.135 1.00 0.00 C ATOM 1776 CG GLN B 117 14.725 0.482 6.599 1.00 0.00 C ATOM 1777 CD GLN B 117 16.244 0.606 6.694 1.00 0.00 C ATOM 1778 OE1 GLN B 117 16.815 0.808 7.760 1.00 0.00 O ATOM 1779 NE2 GLN B 117 16.964 0.503 5.595 1.00 0.00 N ATOM 0 H GLN B 117 12.311 -0.261 8.984 1.00 0.00 H new ATOM 0 HA GLN B 117 12.426 -0.729 6.040 1.00 0.00 H new ATOM 0 HB2 GLN B 117 14.555 -0.991 8.167 1.00 0.00 H new ATOM 0 HB3 GLN B 117 14.678 -1.675 6.559 1.00 0.00 H new ATOM 0 HG2 GLN B 117 14.415 0.597 5.560 1.00 0.00 H new ATOM 0 HG3 GLN B 117 14.259 1.291 7.162 1.00 0.00 H new ATOM 0 HE21 GLN B 117 16.506 0.335 4.699 1.00 0.00 H new ATOM 0 HE22 GLN B 117 17.979 0.591 5.640 1.00 0.00 H new ATOM 1788 N LEU B 118 10.858 -2.571 7.164 1.00 0.00 N ATOM 1789 CA LEU B 118 10.159 -3.843 7.348 1.00 0.00 C ATOM 1790 C LEU B 118 10.611 -4.813 6.247 1.00 0.00 C ATOM 1791 O LEU B 118 10.301 -4.612 5.070 1.00 0.00 O ATOM 1792 CB LEU B 118 8.637 -3.634 7.265 1.00 0.00 C ATOM 1793 CG LEU B 118 7.996 -2.739 8.336 1.00 0.00 C ATOM 1794 CD1 LEU B 118 6.586 -2.349 7.892 1.00 0.00 C ATOM 1795 CD2 LEU B 118 7.886 -3.468 9.673 1.00 0.00 C ATOM 0 H LEU B 118 10.240 -1.814 6.873 1.00 0.00 H new ATOM 0 HA LEU B 118 10.397 -4.252 8.330 1.00 0.00 H new ATOM 0 HB2 LEU B 118 8.406 -3.211 6.287 1.00 0.00 H new ATOM 0 HB3 LEU B 118 8.158 -4.612 7.310 1.00 0.00 H new ATOM 0 HG LEU B 118 8.627 -1.859 8.459 1.00 0.00 H new ATOM 0 HD11 LEU B 118 6.128 -1.714 8.650 1.00 0.00 H new ATOM 0 HD12 LEU B 118 6.639 -1.807 6.948 1.00 0.00 H new ATOM 0 HD13 LEU B 118 5.984 -3.248 7.761 1.00 0.00 H new ATOM 0 HD21 LEU B 118 7.428 -2.808 10.410 1.00 0.00 H new ATOM 0 HD22 LEU B 118 7.270 -4.359 9.552 1.00 0.00 H new ATOM 0 HD23 LEU B 118 8.881 -3.757 10.013 1.00 0.00 H new ATOM 1807 N THR B 119 11.357 -5.854 6.601 1.00 0.00 N ATOM 1808 CA THR B 119 11.841 -6.835 5.626 1.00 0.00 C ATOM 1809 C THR B 119 10.707 -7.733 5.120 1.00 0.00 C ATOM 1810 O THR B 119 9.595 -7.745 5.661 1.00 0.00 O ATOM 1811 CB THR B 119 12.988 -7.682 6.209 1.00 0.00 C ATOM 1812 OG1 THR B 119 12.545 -8.491 7.278 1.00 0.00 O ATOM 1813 CG2 THR B 119 14.157 -6.809 6.682 1.00 0.00 C ATOM 0 H THR B 119 11.643 -6.044 7.561 1.00 0.00 H new ATOM 0 HA THR B 119 12.230 -6.278 4.774 1.00 0.00 H new ATOM 0 HB THR B 119 13.337 -8.325 5.400 1.00 0.00 H new ATOM 0 HG1 THR B 119 12.448 -7.943 8.085 1.00 0.00 H new ATOM 0 HG21 THR B 119 14.945 -7.444 7.086 1.00 0.00 H new ATOM 0 HG22 THR B 119 14.548 -6.237 5.840 1.00 0.00 H new ATOM 0 HG23 THR B 119 13.810 -6.124 7.456 1.00 0.00 H new ATOM 1821 N SER B 120 11.000 -8.527 4.092 1.00 0.00 N ATOM 1822 CA SER B 120 10.094 -9.544 3.537 1.00 0.00 C ATOM 1823 C SER B 120 9.662 -10.498 4.656 1.00 0.00 C ATOM 1824 O SER B 120 8.467 -10.704 4.873 1.00 0.00 O ATOM 1825 CB SER B 120 10.774 -10.312 2.393 1.00 0.00 C ATOM 1826 OG SER B 120 12.111 -10.647 2.742 1.00 0.00 O ATOM 0 H SER B 120 11.896 -8.484 3.606 1.00 0.00 H new ATOM 0 HA SER B 120 9.212 -9.055 3.125 1.00 0.00 H new ATOM 0 HB2 SER B 120 10.212 -11.219 2.172 1.00 0.00 H new ATOM 0 HB3 SER B 120 10.770 -9.706 1.487 1.00 0.00 H new ATOM 0 HG SER B 120 12.529 -11.137 2.003 1.00 0.00 H new ATOM 1832 N TYR B 121 10.643 -11.019 5.401 1.00 0.00 N ATOM 1833 CA TYR B 121 10.467 -11.869 6.577 1.00 0.00 C ATOM 1834 C TYR B 121 9.549 -11.202 7.613 1.00 0.00 C ATOM 1835 O TYR B 121 8.534 -11.794 7.976 1.00 0.00 O ATOM 1836 CB TYR B 121 11.837 -12.220 7.173 1.00 0.00 C ATOM 1837 CG TYR B 121 11.759 -13.162 8.361 1.00 0.00 C ATOM 1838 CD1 TYR B 121 11.638 -12.648 9.669 1.00 0.00 C ATOM 1839 CD2 TYR B 121 11.786 -14.556 8.154 1.00 0.00 C ATOM 1840 CE1 TYR B 121 11.537 -13.524 10.768 1.00 0.00 C ATOM 1841 CE2 TYR B 121 11.697 -15.434 9.253 1.00 0.00 C ATOM 1842 CZ TYR B 121 11.574 -14.922 10.562 1.00 0.00 C ATOM 1843 OH TYR B 121 11.483 -15.778 11.616 1.00 0.00 O ATOM 0 H TYR B 121 11.626 -10.850 5.188 1.00 0.00 H new ATOM 0 HA TYR B 121 9.978 -12.795 6.273 1.00 0.00 H new ATOM 0 HB2 TYR B 121 12.455 -12.675 6.399 1.00 0.00 H new ATOM 0 HB3 TYR B 121 12.336 -11.301 7.480 1.00 0.00 H new ATOM 0 HD1 TYR B 121 11.623 -11.580 9.829 1.00 0.00 H new ATOM 0 HD2 TYR B 121 11.875 -14.951 7.153 1.00 0.00 H new ATOM 0 HE1 TYR B 121 11.431 -13.128 11.767 1.00 0.00 H new ATOM 0 HE2 TYR B 121 11.723 -16.502 9.093 1.00 0.00 H new ATOM 0 HH TYR B 121 11.524 -16.702 11.292 1.00 0.00 H new ATOM 1853 N ASP B 122 9.870 -9.980 8.069 1.00 0.00 N ATOM 1854 CA ASP B 122 9.050 -9.226 9.034 1.00 0.00 C ATOM 1855 C ASP B 122 7.575 -9.202 8.615 1.00 0.00 C ATOM 1856 O ASP B 122 6.714 -9.688 9.342 1.00 0.00 O ATOM 1857 CB ASP B 122 9.527 -7.769 9.199 1.00 0.00 C ATOM 1858 CG ASP B 122 10.807 -7.614 10.020 1.00 0.00 C ATOM 1859 OD1 ASP B 122 10.785 -7.941 11.231 1.00 0.00 O ATOM 1860 OD2 ASP B 122 11.809 -7.105 9.463 1.00 0.00 O ATOM 0 H ASP B 122 10.712 -9.483 7.777 1.00 0.00 H new ATOM 0 HA ASP B 122 9.161 -9.746 9.985 1.00 0.00 H new ATOM 0 HB2 ASP B 122 9.689 -7.338 8.211 1.00 0.00 H new ATOM 0 HB3 ASP B 122 8.734 -7.191 9.673 1.00 0.00 H new ATOM 1865 N CYS B 123 7.289 -8.645 7.439 1.00 0.00 N ATOM 1866 CA CYS B 123 5.942 -8.493 6.894 1.00 0.00 C ATOM 1867 C CYS B 123 5.177 -9.828 6.796 1.00 0.00 C ATOM 1868 O CYS B 123 4.057 -9.929 7.296 1.00 0.00 O ATOM 1869 CB CYS B 123 6.023 -7.790 5.536 1.00 0.00 C ATOM 1870 SG CYS B 123 6.726 -6.130 5.655 1.00 0.00 S ATOM 0 H CYS B 123 8.011 -8.276 6.821 1.00 0.00 H new ATOM 0 HA CYS B 123 5.367 -7.879 7.588 1.00 0.00 H new ATOM 0 HB2 CYS B 123 6.629 -8.389 4.856 1.00 0.00 H new ATOM 0 HB3 CYS B 123 5.025 -7.728 5.103 1.00 0.00 H new ATOM 0 HG CYS B 123 8.023 -6.210 5.697 1.00 0.00 H new ATOM 1876 N GLU B 124 5.772 -10.846 6.168 1.00 0.00 N ATOM 1877 CA GLU B 124 5.187 -12.188 6.001 1.00 0.00 C ATOM 1878 C GLU B 124 4.834 -12.847 7.346 1.00 0.00 C ATOM 1879 O GLU B 124 3.732 -13.374 7.507 1.00 0.00 O ATOM 1880 CB GLU B 124 6.131 -13.080 5.172 1.00 0.00 C ATOM 1881 CG GLU B 124 6.127 -12.664 3.690 1.00 0.00 C ATOM 1882 CD GLU B 124 7.160 -13.390 2.809 1.00 0.00 C ATOM 1883 OE1 GLU B 124 7.785 -14.393 3.230 1.00 0.00 O ATOM 1884 OE2 GLU B 124 7.332 -12.970 1.638 1.00 0.00 O ATOM 0 H GLU B 124 6.698 -10.762 5.749 1.00 0.00 H new ATOM 0 HA GLU B 124 4.248 -12.072 5.460 1.00 0.00 H new ATOM 0 HB2 GLU B 124 7.144 -13.011 5.569 1.00 0.00 H new ATOM 0 HB3 GLU B 124 5.824 -14.122 5.261 1.00 0.00 H new ATOM 0 HG2 GLU B 124 5.133 -12.843 3.281 1.00 0.00 H new ATOM 0 HG3 GLU B 124 6.309 -11.591 3.629 1.00 0.00 H new ATOM 1891 N VAL B 125 5.749 -12.812 8.322 1.00 0.00 N ATOM 1892 CA VAL B 125 5.567 -13.352 9.684 1.00 0.00 C ATOM 1893 C VAL B 125 4.489 -12.577 10.456 1.00 0.00 C ATOM 1894 O VAL B 125 3.639 -13.176 11.115 1.00 0.00 O ATOM 1895 CB VAL B 125 6.912 -13.334 10.445 1.00 0.00 C ATOM 1896 CG1 VAL B 125 6.807 -13.678 11.939 1.00 0.00 C ATOM 1897 CG2 VAL B 125 7.876 -14.347 9.811 1.00 0.00 C ATOM 0 H VAL B 125 6.669 -12.394 8.186 1.00 0.00 H new ATOM 0 HA VAL B 125 5.226 -14.384 9.599 1.00 0.00 H new ATOM 0 HB VAL B 125 7.269 -12.307 10.368 1.00 0.00 H new ATOM 0 HG11 VAL B 125 7.798 -13.641 12.391 1.00 0.00 H new ATOM 0 HG12 VAL B 125 6.155 -12.958 12.433 1.00 0.00 H new ATOM 0 HG13 VAL B 125 6.393 -14.680 12.053 1.00 0.00 H new ATOM 0 HG21 VAL B 125 8.824 -14.333 10.349 1.00 0.00 H new ATOM 0 HG22 VAL B 125 7.442 -15.346 9.866 1.00 0.00 H new ATOM 0 HG23 VAL B 125 8.047 -14.083 8.767 1.00 0.00 H new ATOM 1907 N ASN B 126 4.537 -11.244 10.400 1.00 0.00 N ATOM 1908 CA ASN B 126 3.633 -10.326 11.099 1.00 0.00 C ATOM 1909 C ASN B 126 2.176 -10.396 10.610 1.00 0.00 C ATOM 1910 O ASN B 126 1.264 -10.522 11.430 1.00 0.00 O ATOM 1911 CB ASN B 126 4.167 -8.891 10.959 1.00 0.00 C ATOM 1912 CG ASN B 126 5.283 -8.540 11.931 1.00 0.00 C ATOM 1913 OD1 ASN B 126 5.343 -7.436 12.436 1.00 0.00 O ATOM 1914 ND2 ASN B 126 6.197 -9.430 12.240 1.00 0.00 N ATOM 0 H ASN B 126 5.236 -10.753 9.843 1.00 0.00 H new ATOM 0 HA ASN B 126 3.613 -10.635 12.144 1.00 0.00 H new ATOM 0 HB2 ASN B 126 4.530 -8.749 9.941 1.00 0.00 H new ATOM 0 HB3 ASN B 126 3.342 -8.193 11.104 1.00 0.00 H new ATOM 0 HD21 ASN B 126 6.942 -9.190 12.894 1.00 0.00 H new ATOM 0 HD22 ASN B 126 6.162 -10.361 11.826 1.00 0.00 H new ATOM 1921 N ALA B 127 1.953 -10.281 9.299 1.00 0.00 N ATOM 1922 CA ALA B 127 0.629 -10.264 8.678 1.00 0.00 C ATOM 1923 C ALA B 127 0.542 -11.249 7.487 1.00 0.00 C ATOM 1924 O ALA B 127 0.549 -10.817 6.327 1.00 0.00 O ATOM 1925 CB ALA B 127 0.307 -8.805 8.306 1.00 0.00 C ATOM 0 H ALA B 127 2.711 -10.195 8.622 1.00 0.00 H new ATOM 0 HA ALA B 127 -0.131 -10.620 9.374 1.00 0.00 H new ATOM 0 HB1 ALA B 127 -0.677 -8.757 7.839 1.00 0.00 H new ATOM 0 HB2 ALA B 127 0.312 -8.190 9.206 1.00 0.00 H new ATOM 0 HB3 ALA B 127 1.058 -8.433 7.609 1.00 0.00 H new ATOM 1931 N PRO B 128 0.440 -12.571 7.750 1.00 0.00 N ATOM 1932 CA PRO B 128 0.336 -13.604 6.718 1.00 0.00 C ATOM 1933 C PRO B 128 -0.813 -13.356 5.732 1.00 0.00 C ATOM 1934 O PRO B 128 -1.942 -13.047 6.125 1.00 0.00 O ATOM 1935 CB PRO B 128 0.140 -14.932 7.462 1.00 0.00 C ATOM 1936 CG PRO B 128 0.737 -14.665 8.840 1.00 0.00 C ATOM 1937 CD PRO B 128 0.423 -13.191 9.070 1.00 0.00 C ATOM 0 HA PRO B 128 1.238 -13.606 6.106 1.00 0.00 H new ATOM 0 HB2 PRO B 128 -0.914 -15.203 7.528 1.00 0.00 H new ATOM 0 HB3 PRO B 128 0.649 -15.753 6.957 1.00 0.00 H new ATOM 0 HG2 PRO B 128 0.286 -15.298 9.605 1.00 0.00 H new ATOM 0 HG3 PRO B 128 1.810 -14.857 8.859 1.00 0.00 H new ATOM 0 HD2 PRO B 128 -0.549 -13.068 9.547 1.00 0.00 H new ATOM 0 HD3 PRO B 128 1.161 -12.732 9.727 1.00 0.00 H new ATOM 1945 N ILE B 129 -0.517 -13.503 4.441 1.00 0.00 N ATOM 1946 CA ILE B 129 -1.463 -13.332 3.329 1.00 0.00 C ATOM 1947 C ILE B 129 -2.533 -14.439 3.385 1.00 0.00 C ATOM 1948 O ILE B 129 -2.239 -15.578 3.758 1.00 0.00 O ATOM 1949 CB ILE B 129 -0.693 -13.347 1.983 1.00 0.00 C ATOM 1950 CG1 ILE B 129 0.390 -12.238 1.935 1.00 0.00 C ATOM 1951 CG2 ILE B 129 -1.648 -13.154 0.789 1.00 0.00 C ATOM 1952 CD1 ILE B 129 1.539 -12.563 0.976 1.00 0.00 C ATOM 0 H ILE B 129 0.420 -13.753 4.125 1.00 0.00 H new ATOM 0 HA ILE B 129 -1.970 -12.371 3.414 1.00 0.00 H new ATOM 0 HB ILE B 129 -0.213 -14.323 1.912 1.00 0.00 H new ATOM 0 HG12 ILE B 129 -0.073 -11.299 1.633 1.00 0.00 H new ATOM 0 HG13 ILE B 129 0.792 -12.087 2.937 1.00 0.00 H new ATOM 0 HG21 ILE B 129 -1.077 -13.169 -0.140 1.00 0.00 H new ATOM 0 HG22 ILE B 129 -2.383 -13.959 0.777 1.00 0.00 H new ATOM 0 HG23 ILE B 129 -2.161 -12.197 0.884 1.00 0.00 H new ATOM 0 HD11 ILE B 129 2.264 -11.749 0.987 1.00 0.00 H new ATOM 0 HD12 ILE B 129 2.025 -13.486 1.291 1.00 0.00 H new ATOM 0 HD13 ILE B 129 1.147 -12.685 -0.034 1.00 0.00 H new ATOM 1964 N GLN B 130 -3.776 -14.117 3.015 1.00 0.00 N ATOM 1965 CA GLN B 130 -4.891 -15.070 2.971 1.00 0.00 C ATOM 1966 C GLN B 130 -4.620 -16.146 1.900 1.00 0.00 C ATOM 1967 O GLN B 130 -4.638 -15.862 0.699 1.00 0.00 O ATOM 1968 CB GLN B 130 -6.199 -14.291 2.739 1.00 0.00 C ATOM 1969 CG GLN B 130 -7.484 -15.139 2.771 1.00 0.00 C ATOM 1970 CD GLN B 130 -7.772 -15.887 1.468 1.00 0.00 C ATOM 1971 OE1 GLN B 130 -7.659 -17.103 1.374 1.00 0.00 O ATOM 1972 NE2 GLN B 130 -8.155 -15.202 0.413 1.00 0.00 N ATOM 0 H GLN B 130 -4.041 -13.173 2.733 1.00 0.00 H new ATOM 0 HA GLN B 130 -4.991 -15.601 3.917 1.00 0.00 H new ATOM 0 HB2 GLN B 130 -6.278 -13.512 3.497 1.00 0.00 H new ATOM 0 HB3 GLN B 130 -6.138 -13.790 1.773 1.00 0.00 H new ATOM 0 HG2 GLN B 130 -7.409 -15.862 3.583 1.00 0.00 H new ATOM 0 HG3 GLN B 130 -8.329 -14.490 2.999 1.00 0.00 H new ATOM 0 HE21 GLN B 130 -8.255 -14.189 0.472 1.00 0.00 H new ATOM 0 HE22 GLN B 130 -8.352 -15.684 -0.464 1.00 0.00 H new ATOM 2037 N LEU B 135 4.307 -12.018 -2.758 1.00 0.00 N ATOM 2038 CA LEU B 135 4.757 -10.758 -3.378 1.00 0.00 C ATOM 2039 C LEU B 135 4.102 -10.367 -4.723 1.00 0.00 C ATOM 2040 O LEU B 135 4.638 -10.603 -5.813 1.00 0.00 O ATOM 2041 CB LEU B 135 6.296 -10.713 -3.472 1.00 0.00 C ATOM 2042 CG LEU B 135 7.097 -10.871 -2.161 1.00 0.00 C ATOM 2043 CD1 LEU B 135 8.524 -10.376 -2.397 1.00 0.00 C ATOM 2044 CD2 LEU B 135 6.541 -10.100 -0.960 1.00 0.00 C ATOM 0 HA LEU B 135 4.396 -9.990 -2.694 1.00 0.00 H new ATOM 0 HB2 LEU B 135 6.614 -11.499 -4.157 1.00 0.00 H new ATOM 0 HB3 LEU B 135 6.577 -9.762 -3.925 1.00 0.00 H new ATOM 0 HG LEU B 135 7.038 -11.930 -1.911 1.00 0.00 H new ATOM 0 HD11 LEU B 135 9.102 -10.481 -1.479 1.00 0.00 H new ATOM 0 HD12 LEU B 135 8.988 -10.966 -3.188 1.00 0.00 H new ATOM 0 HD13 LEU B 135 8.501 -9.327 -2.693 1.00 0.00 H new ATOM 0 HD21 LEU B 135 7.173 -10.276 -0.090 1.00 0.00 H new ATOM 0 HD22 LEU B 135 6.526 -9.034 -1.187 1.00 0.00 H new ATOM 0 HD23 LEU B 135 5.528 -10.440 -0.747 1.00 0.00 H new ATOM 2056 N LEU B 136 2.959 -9.690 -4.601 1.00 0.00 N ATOM 2057 CA LEU B 136 2.155 -9.054 -5.647 1.00 0.00 C ATOM 2058 C LEU B 136 3.073 -8.069 -6.401 1.00 0.00 C ATOM 2059 O LEU B 136 3.817 -7.312 -5.772 1.00 0.00 O ATOM 2060 CB LEU B 136 0.979 -8.361 -4.918 1.00 0.00 C ATOM 2061 CG LEU B 136 -0.257 -7.906 -5.712 1.00 0.00 C ATOM 2062 CD1 LEU B 136 0.057 -7.089 -6.953 1.00 0.00 C ATOM 2063 CD2 LEU B 136 -1.166 -9.054 -6.139 1.00 0.00 C ATOM 0 H LEU B 136 2.533 -9.561 -3.683 1.00 0.00 H new ATOM 0 HA LEU B 136 1.748 -9.745 -6.385 1.00 0.00 H new ATOM 0 HB2 LEU B 136 0.632 -9.043 -4.141 1.00 0.00 H new ATOM 0 HB3 LEU B 136 1.382 -7.482 -4.414 1.00 0.00 H new ATOM 0 HG LEU B 136 -0.772 -7.272 -4.990 1.00 0.00 H new ATOM 0 HD11 LEU B 136 -0.872 -6.811 -7.450 1.00 0.00 H new ATOM 0 HD12 LEU B 136 0.599 -6.188 -6.668 1.00 0.00 H new ATOM 0 HD13 LEU B 136 0.670 -7.681 -7.633 1.00 0.00 H new ATOM 0 HD21 LEU B 136 -2.016 -8.658 -6.694 1.00 0.00 H new ATOM 0 HD22 LEU B 136 -0.608 -9.743 -6.773 1.00 0.00 H new ATOM 0 HD23 LEU B 136 -1.524 -9.583 -5.256 1.00 0.00 H new ATOM 2075 N GLN B 137 3.079 -8.109 -7.736 1.00 0.00 N ATOM 2076 CA GLN B 137 3.987 -7.303 -8.563 1.00 0.00 C ATOM 2077 C GLN B 137 3.410 -6.894 -9.932 1.00 0.00 C ATOM 2078 O GLN B 137 2.460 -7.495 -10.438 1.00 0.00 O ATOM 2079 CB GLN B 137 5.322 -8.063 -8.697 1.00 0.00 C ATOM 2080 CG GLN B 137 5.210 -9.453 -9.347 1.00 0.00 C ATOM 2081 CD GLN B 137 6.483 -10.265 -9.127 1.00 0.00 C ATOM 2082 OE1 GLN B 137 7.349 -10.359 -9.986 1.00 0.00 O ATOM 2083 NE2 GLN B 137 6.644 -10.879 -7.973 1.00 0.00 N ATOM 0 H GLN B 137 2.452 -8.704 -8.278 1.00 0.00 H new ATOM 0 HA GLN B 137 4.143 -6.350 -8.057 1.00 0.00 H new ATOM 0 HB2 GLN B 137 6.012 -7.457 -9.285 1.00 0.00 H new ATOM 0 HB3 GLN B 137 5.761 -8.175 -7.706 1.00 0.00 H new ATOM 0 HG2 GLN B 137 4.357 -9.987 -8.927 1.00 0.00 H new ATOM 0 HG3 GLN B 137 5.024 -9.345 -10.416 1.00 0.00 H new ATOM 0 HE21 GLN B 137 5.927 -10.805 -7.252 1.00 0.00 H new ATOM 0 HE22 GLN B 137 7.486 -11.428 -7.801 1.00 0.00 H new ATOM 2092 N GLY B 138 4.006 -5.855 -10.525 1.00 0.00 N ATOM 2093 CA GLY B 138 3.648 -5.274 -11.826 1.00 0.00 C ATOM 2094 C GLY B 138 2.318 -4.517 -11.835 1.00 0.00 C ATOM 2095 O GLY B 138 1.948 -3.916 -10.832 1.00 0.00 O ATOM 0 H GLY B 138 4.791 -5.371 -10.090 1.00 0.00 H new ATOM 0 HA2 GLY B 138 4.441 -4.594 -12.138 1.00 0.00 H new ATOM 0 HA3 GLY B 138 3.603 -6.072 -12.567 1.00 0.00 H new ATOM 2099 N GLU B 139 1.603 -4.496 -12.964 1.00 0.00 N ATOM 2100 CA GLU B 139 0.341 -3.741 -13.109 1.00 0.00 C ATOM 2101 C GLU B 139 -0.724 -4.114 -12.060 1.00 0.00 C ATOM 2102 O GLU B 139 -1.489 -3.253 -11.624 1.00 0.00 O ATOM 2103 CB GLU B 139 -0.194 -3.837 -14.548 1.00 0.00 C ATOM 2104 CG GLU B 139 -1.151 -2.675 -14.861 1.00 0.00 C ATOM 2105 CD GLU B 139 -1.604 -2.676 -16.333 1.00 0.00 C ATOM 2106 OE1 GLU B 139 -0.780 -2.381 -17.233 1.00 0.00 O ATOM 2107 OE2 GLU B 139 -2.799 -2.958 -16.597 1.00 0.00 O ATOM 0 H GLU B 139 1.878 -5.000 -13.807 1.00 0.00 H new ATOM 0 HA GLU B 139 0.578 -2.696 -12.908 1.00 0.00 H new ATOM 0 HB2 GLU B 139 0.639 -3.825 -15.251 1.00 0.00 H new ATOM 0 HB3 GLU B 139 -0.713 -4.786 -14.684 1.00 0.00 H new ATOM 0 HG2 GLU B 139 -2.025 -2.742 -14.213 1.00 0.00 H new ATOM 0 HG3 GLU B 139 -0.658 -1.729 -14.635 1.00 0.00 H new ATOM 2114 N GLU B 140 -0.737 -5.371 -11.595 1.00 0.00 N ATOM 2115 CA GLU B 140 -1.605 -5.843 -10.505 1.00 0.00 C ATOM 2116 C GLU B 140 -1.470 -4.967 -9.247 1.00 0.00 C ATOM 2117 O GLU B 140 -2.467 -4.761 -8.556 1.00 0.00 O ATOM 2118 CB GLU B 140 -1.321 -7.314 -10.164 1.00 0.00 C ATOM 2119 CG GLU B 140 -1.819 -8.311 -11.217 1.00 0.00 C ATOM 2120 CD GLU B 140 -3.357 -8.416 -11.228 1.00 0.00 C ATOM 2121 OE1 GLU B 140 -3.928 -9.146 -10.381 1.00 0.00 O ATOM 2122 OE2 GLU B 140 -4.005 -7.774 -12.090 1.00 0.00 O ATOM 0 H GLU B 140 -0.134 -6.102 -11.972 1.00 0.00 H new ATOM 0 HA GLU B 140 -2.632 -5.763 -10.860 1.00 0.00 H new ATOM 0 HB2 GLU B 140 -0.246 -7.445 -10.036 1.00 0.00 H new ATOM 0 HB3 GLU B 140 -1.787 -7.550 -9.207 1.00 0.00 H new ATOM 0 HG2 GLU B 140 -1.469 -8.003 -12.202 1.00 0.00 H new ATOM 0 HG3 GLU B 140 -1.390 -9.293 -11.019 1.00 0.00 H new ATOM 2129 N LEU B 141 -0.276 -4.413 -8.971 1.00 0.00 N ATOM 2130 CA LEU B 141 -0.038 -3.473 -7.872 1.00 0.00 C ATOM 2131 C LEU B 141 -0.971 -2.275 -8.034 1.00 0.00 C ATOM 2132 O LEU B 141 -1.826 -2.028 -7.193 1.00 0.00 O ATOM 2133 CB LEU B 141 1.413 -2.947 -7.869 1.00 0.00 C ATOM 2134 CG LEU B 141 2.509 -3.960 -7.525 1.00 0.00 C ATOM 2135 CD1 LEU B 141 3.858 -3.400 -7.975 1.00 0.00 C ATOM 2136 CD2 LEU B 141 2.576 -4.175 -6.018 1.00 0.00 C ATOM 0 H LEU B 141 0.562 -4.612 -9.517 1.00 0.00 H new ATOM 0 HA LEU B 141 -0.221 -4.003 -6.937 1.00 0.00 H new ATOM 0 HB2 LEU B 141 1.628 -2.534 -8.855 1.00 0.00 H new ATOM 0 HB3 LEU B 141 1.475 -2.123 -7.158 1.00 0.00 H new ATOM 0 HG LEU B 141 2.285 -4.902 -8.025 1.00 0.00 H new ATOM 0 HD11 LEU B 141 4.646 -4.113 -7.735 1.00 0.00 H new ATOM 0 HD12 LEU B 141 3.840 -3.228 -9.051 1.00 0.00 H new ATOM 0 HD13 LEU B 141 4.051 -2.459 -7.460 1.00 0.00 H new ATOM 0 HD21 LEU B 141 3.359 -4.897 -5.788 1.00 0.00 H new ATOM 0 HD22 LEU B 141 2.799 -3.229 -5.525 1.00 0.00 H new ATOM 0 HD23 LEU B 141 1.618 -4.553 -5.661 1.00 0.00 H new ATOM 2148 N LEU B 142 -0.802 -1.530 -9.129 1.00 0.00 N ATOM 2149 CA LEU B 142 -1.554 -0.317 -9.437 1.00 0.00 C ATOM 2150 C LEU B 142 -3.068 -0.566 -9.431 1.00 0.00 C ATOM 2151 O LEU B 142 -3.809 0.230 -8.858 1.00 0.00 O ATOM 2152 CB LEU B 142 -1.067 0.315 -10.751 1.00 0.00 C ATOM 2153 CG LEU B 142 0.461 0.439 -10.942 1.00 0.00 C ATOM 2154 CD1 LEU B 142 0.735 1.462 -12.044 1.00 0.00 C ATOM 2155 CD2 LEU B 142 1.227 0.896 -9.698 1.00 0.00 C ATOM 0 H LEU B 142 -0.116 -1.764 -9.847 1.00 0.00 H new ATOM 0 HA LEU B 142 -1.362 0.405 -8.643 1.00 0.00 H new ATOM 0 HB2 LEU B 142 -1.466 -0.272 -11.578 1.00 0.00 H new ATOM 0 HB3 LEU B 142 -1.501 1.312 -10.829 1.00 0.00 H new ATOM 0 HG LEU B 142 0.811 -0.564 -11.185 1.00 0.00 H new ATOM 0 HD11 LEU B 142 1.811 1.560 -12.190 1.00 0.00 H new ATOM 0 HD12 LEU B 142 0.272 1.129 -12.973 1.00 0.00 H new ATOM 0 HD13 LEU B 142 0.318 2.427 -11.756 1.00 0.00 H new ATOM 0 HD21 LEU B 142 2.291 0.954 -9.927 1.00 0.00 H new ATOM 0 HD22 LEU B 142 0.868 1.878 -9.390 1.00 0.00 H new ATOM 0 HD23 LEU B 142 1.068 0.182 -8.890 1.00 0.00 H new ATOM 2167 N ARG B 143 -3.519 -1.687 -10.015 1.00 0.00 N ATOM 2168 CA ARG B 143 -4.925 -2.139 -10.007 1.00 0.00 C ATOM 2169 C ARG B 143 -5.431 -2.302 -8.565 1.00 0.00 C ATOM 2170 O ARG B 143 -6.490 -1.776 -8.219 1.00 0.00 O ATOM 2171 CB ARG B 143 -5.064 -3.454 -10.795 1.00 0.00 C ATOM 2172 CG ARG B 143 -4.788 -3.307 -12.303 1.00 0.00 C ATOM 2173 CD ARG B 143 -4.669 -4.699 -12.937 1.00 0.00 C ATOM 2174 NE ARG B 143 -4.288 -4.655 -14.358 1.00 0.00 N ATOM 2175 CZ ARG B 143 -4.107 -5.699 -15.148 1.00 0.00 C ATOM 2176 NH1 ARG B 143 -4.210 -6.929 -14.731 1.00 0.00 N ATOM 2177 NH2 ARG B 143 -3.799 -5.518 -16.397 1.00 0.00 N ATOM 0 H ARG B 143 -2.902 -2.323 -10.520 1.00 0.00 H new ATOM 0 HA ARG B 143 -5.541 -1.383 -10.494 1.00 0.00 H new ATOM 0 HB2 ARG B 143 -4.376 -4.190 -10.379 1.00 0.00 H new ATOM 0 HB3 ARG B 143 -6.072 -3.845 -10.656 1.00 0.00 H new ATOM 0 HG2 ARG B 143 -5.593 -2.746 -12.778 1.00 0.00 H new ATOM 0 HG3 ARG B 143 -3.869 -2.743 -12.463 1.00 0.00 H new ATOM 0 HD2 ARG B 143 -3.930 -5.281 -12.386 1.00 0.00 H new ATOM 0 HD3 ARG B 143 -5.622 -5.219 -12.838 1.00 0.00 H new ATOM 0 HE ARG B 143 -4.151 -3.733 -14.772 1.00 0.00 H new ATOM 0 HH11 ARG B 143 -4.440 -7.119 -13.756 1.00 0.00 H new ATOM 0 HH12 ARG B 143 -4.061 -7.702 -15.380 1.00 0.00 H new ATOM 0 HH21 ARG B 143 -3.697 -4.572 -16.765 1.00 0.00 H new ATOM 0 HH22 ARG B 143 -3.659 -6.322 -17.009 1.00 0.00 H new ATOM 2191 N ALA B 144 -4.670 -3.004 -7.719 1.00 0.00 N ATOM 2192 CA ALA B 144 -4.963 -3.203 -6.300 1.00 0.00 C ATOM 2193 C ALA B 144 -5.005 -1.864 -5.530 1.00 0.00 C ATOM 2194 O ALA B 144 -5.947 -1.638 -4.771 1.00 0.00 O ATOM 2195 CB ALA B 144 -3.957 -4.196 -5.699 1.00 0.00 C ATOM 0 H ALA B 144 -3.808 -3.462 -8.014 1.00 0.00 H new ATOM 0 HA ALA B 144 -5.960 -3.632 -6.203 1.00 0.00 H new ATOM 0 HB1 ALA B 144 -4.178 -4.342 -4.642 1.00 0.00 H new ATOM 0 HB2 ALA B 144 -4.032 -5.150 -6.221 1.00 0.00 H new ATOM 0 HB3 ALA B 144 -2.947 -3.801 -5.808 1.00 0.00 H new ATOM 2201 N LEU B 145 -4.023 -0.971 -5.719 1.00 0.00 N ATOM 2202 CA LEU B 145 -3.963 0.357 -5.085 1.00 0.00 C ATOM 2203 C LEU B 145 -5.148 1.257 -5.493 1.00 0.00 C ATOM 2204 O LEU B 145 -5.723 1.949 -4.656 1.00 0.00 O ATOM 2205 CB LEU B 145 -2.653 1.092 -5.434 1.00 0.00 C ATOM 2206 CG LEU B 145 -1.323 0.444 -5.021 1.00 0.00 C ATOM 2207 CD1 LEU B 145 -0.157 1.335 -5.410 1.00 0.00 C ATOM 2208 CD2 LEU B 145 -1.199 0.197 -3.527 1.00 0.00 C ATOM 0 H LEU B 145 -3.228 -1.155 -6.332 1.00 0.00 H new ATOM 0 HA LEU B 145 -4.010 0.173 -4.012 1.00 0.00 H new ATOM 0 HB2 LEU B 145 -2.631 1.238 -6.514 1.00 0.00 H new ATOM 0 HB3 LEU B 145 -2.696 2.082 -4.980 1.00 0.00 H new ATOM 0 HG LEU B 145 -1.305 -0.514 -5.540 1.00 0.00 H new ATOM 0 HD11 LEU B 145 0.778 0.862 -5.111 1.00 0.00 H new ATOM 0 HD12 LEU B 145 -0.158 1.485 -6.490 1.00 0.00 H new ATOM 0 HD13 LEU B 145 -0.253 2.299 -4.909 1.00 0.00 H new ATOM 0 HD21 LEU B 145 -0.234 -0.262 -3.313 1.00 0.00 H new ATOM 0 HD22 LEU B 145 -1.276 1.145 -2.994 1.00 0.00 H new ATOM 0 HD23 LEU B 145 -1.998 -0.469 -3.201 1.00 0.00 H new ATOM 2220 N ASP B 146 -5.491 1.288 -6.784 1.00 0.00 N ATOM 2221 CA ASP B 146 -6.557 2.111 -7.368 1.00 0.00 C ATOM 2222 C ASP B 146 -7.939 1.903 -6.730 1.00 0.00 C ATOM 2223 O ASP B 146 -8.649 2.885 -6.523 1.00 0.00 O ATOM 2224 CB ASP B 146 -6.612 1.873 -8.888 1.00 0.00 C ATOM 2225 CG ASP B 146 -7.838 2.511 -9.566 1.00 0.00 C ATOM 2226 OD1 ASP B 146 -7.823 3.736 -9.829 1.00 0.00 O ATOM 2227 OD2 ASP B 146 -8.807 1.779 -9.881 1.00 0.00 O ATOM 0 H ASP B 146 -5.014 0.716 -7.481 1.00 0.00 H new ATOM 0 HA ASP B 146 -6.302 3.149 -7.155 1.00 0.00 H new ATOM 0 HB2 ASP B 146 -5.706 2.273 -9.343 1.00 0.00 H new ATOM 0 HB3 ASP B 146 -6.618 0.800 -9.080 1.00 0.00 H new ATOM 2232 N GLN B 147 -8.337 0.660 -6.430 1.00 0.00 N ATOM 2233 CA GLN B 147 -9.669 0.304 -5.904 1.00 0.00 C ATOM 2234 C GLN B 147 -10.211 1.161 -4.733 1.00 0.00 C ATOM 2235 O GLN B 147 -11.427 1.199 -4.531 1.00 0.00 O ATOM 2236 CB GLN B 147 -9.741 -1.205 -5.606 1.00 0.00 C ATOM 2237 CG GLN B 147 -9.257 -1.580 -4.199 1.00 0.00 C ATOM 2238 CD GLN B 147 -9.111 -3.090 -4.030 1.00 0.00 C ATOM 2239 OE1 GLN B 147 -10.080 -3.832 -3.921 1.00 0.00 O ATOM 2240 NE2 GLN B 147 -7.900 -3.602 -4.011 1.00 0.00 N ATOM 0 H GLN B 147 -7.728 -0.150 -6.548 1.00 0.00 H new ATOM 0 HA GLN B 147 -10.357 0.556 -6.711 1.00 0.00 H new ATOM 0 HB2 GLN B 147 -10.770 -1.542 -5.728 1.00 0.00 H new ATOM 0 HB3 GLN B 147 -9.141 -1.741 -6.342 1.00 0.00 H new ATOM 0 HG2 GLN B 147 -8.298 -1.099 -4.005 1.00 0.00 H new ATOM 0 HG3 GLN B 147 -9.961 -1.198 -3.459 1.00 0.00 H new ATOM 0 HE21 GLN B 147 -7.087 -2.992 -4.101 1.00 0.00 H new ATOM 0 HE22 GLN B 147 -7.774 -4.609 -3.906 1.00 0.00 H new ATOM 2249 N VAL B 148 -9.344 1.848 -3.974 1.00 0.00 N ATOM 2250 CA VAL B 148 -9.717 2.739 -2.863 1.00 0.00 C ATOM 2251 C VAL B 148 -10.608 3.903 -3.335 1.00 0.00 C ATOM 2252 O VAL B 148 -11.650 4.167 -2.729 1.00 0.00 O ATOM 2253 CB VAL B 148 -8.486 3.305 -2.123 1.00 0.00 C ATOM 2254 CG1 VAL B 148 -8.897 3.949 -0.792 1.00 0.00 C ATOM 2255 CG2 VAL B 148 -7.422 2.267 -1.760 1.00 0.00 C ATOM 0 H VAL B 148 -8.336 1.798 -4.120 1.00 0.00 H new ATOM 0 HA VAL B 148 -10.282 2.120 -2.166 1.00 0.00 H new ATOM 0 HB VAL B 148 -8.065 4.016 -2.834 1.00 0.00 H new ATOM 0 HG11 VAL B 148 -8.013 4.341 -0.289 1.00 0.00 H new ATOM 0 HG12 VAL B 148 -9.597 4.763 -0.982 1.00 0.00 H new ATOM 0 HG13 VAL B 148 -9.374 3.202 -0.158 1.00 0.00 H new ATOM 0 HG21 VAL B 148 -6.597 2.757 -1.244 1.00 0.00 H new ATOM 0 HG22 VAL B 148 -7.859 1.510 -1.109 1.00 0.00 H new ATOM 0 HG23 VAL B 148 -7.051 1.793 -2.669 1.00 0.00 H new ATOM 2265 N ASN B 149 -10.191 4.622 -4.393 1.00 0.00 N ATOM 2266 CA ASN B 149 -10.905 5.796 -4.939 1.00 0.00 C ATOM 2267 C ASN B 149 -12.178 5.446 -5.749 1.00 0.00 C ATOM 2268 O ASN B 149 -12.269 4.340 -6.330 1.00 0.00 O ATOM 2269 CB ASN B 149 -9.948 6.738 -5.719 1.00 0.00 C ATOM 2270 CG ASN B 149 -9.762 6.486 -7.216 1.00 0.00 C ATOM 2271 OD1 ASN B 149 -9.982 7.365 -8.040 1.00 0.00 O ATOM 2272 ND2 ASN B 149 -9.338 5.319 -7.632 1.00 0.00 N ATOM 2273 OXT ASN B 149 -13.085 6.307 -5.806 1.00 0.00 O ATOM 0 H ASN B 149 -9.335 4.402 -4.902 1.00 0.00 H new ATOM 0 HA ASN B 149 -11.272 6.343 -4.071 1.00 0.00 H new ATOM 0 HB2 ASN B 149 -10.308 7.759 -5.594 1.00 0.00 H new ATOM 0 HB3 ASN B 149 -8.967 6.685 -5.246 1.00 0.00 H new ATOM 0 HD21 ASN B 149 -9.196 5.154 -8.628 1.00 0.00 H new ATOM 0 HD22 ASN B 149 -9.150 4.575 -6.960 1.00 0.00 H new