USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 741 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 55 SER OG : rot 180:sc= 0.612 USER MOD Set 1.2: A 85 LYS NZ :NH3+ 154:sc= 0.678 (180deg=0) USER MOD Set 2.1: A 82 SER OG : rot -175:sc= 2.21 USER MOD Set 2.2: A 104 THR OG1 : rot 75:sc= 1.26 USER MOD Set 3.1: A 28 SER OG : rot 37:sc= 1.2 USER MOD Set 3.2: A 64 THR OG1 : rot 68:sc= 2.27 USER MOD Single : A 5 LYS NZ :NH3+ -172:sc=-0.000135 (180deg=-0.0731) USER MOD Single : A 11 GLN : amide:sc= 0.838 K(o=0.84,f=-0.3) USER MOD Single : A 14 LYS NZ :NH3+ 155:sc= 0.119 (180deg=-0.103) USER MOD Single : A 20 GLN : amide:sc= 1.15 K(o=1.2,f=-0.11) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.0305 K(o=-0.03,f=-3.1) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 140:sc= 0.0187 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -2.39! C(o=-2.4!,f=-2.4!) USER MOD Single : A 37 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 73:sc= 0.0621 USER MOD Single : A 42 THR OG1 : rot -90:sc= 1.16 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 161:sc= 1.05 (180deg=0.764) USER MOD Single : A 45 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.059) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0.023 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 150:sc= 0 USER MOD Single : A 57 MET CE :methyl -172:sc= -1 (180deg=-1.1) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.936 K(o=-0.94,f=-5.5!) USER MOD Single : A 77 LYS NZ :NH3+ 159:sc= 1.25 (180deg=1.04) USER MOD Single : A 83 SER OG : rot 180:sc= -0.0615 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 77:sc= 1.16 USER MOD Single : A 96 HIS : no HD1:sc= -0.0277 K(o=-0.028,f=-0.64) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.0363 USER MOD ----------------------------------------------------------------- ATOM 60 N LYS A 5 1.392 -10.983 4.237 1.00 0.00 N ATOM 61 CA LYS A 5 -0.057 -10.954 4.057 1.00 0.00 C ATOM 62 C LYS A 5 -0.572 -9.569 4.408 1.00 0.00 C ATOM 63 O LYS A 5 0.085 -8.826 5.128 1.00 0.00 O ATOM 64 CB LYS A 5 -0.729 -12.011 4.958 1.00 0.00 C ATOM 65 CG LYS A 5 -1.393 -13.077 4.084 1.00 0.00 C ATOM 66 CD LYS A 5 -1.631 -14.368 4.867 1.00 0.00 C ATOM 67 CE LYS A 5 -2.305 -15.434 4.002 1.00 0.00 C ATOM 68 NZ LYS A 5 -3.668 -15.052 3.584 1.00 0.00 N ATOM 0 HA LYS A 5 -0.298 -11.183 3.019 1.00 0.00 H new ATOM 0 HB2 LYS A 5 0.012 -12.471 5.612 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -1.471 -11.538 5.601 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.342 -12.699 3.704 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -0.763 -13.285 3.219 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -0.680 -14.749 5.240 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.253 -14.157 5.737 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -1.696 -15.616 3.117 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.349 -16.371 4.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -4.127 -15.860 3.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -4.222 -14.773 4.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.616 -14.253 2.920 1.00 0.00 H new ATOM 78 N LEU A 6 -1.762 -9.231 3.931 1.00 0.00 N ATOM 79 CA LEU A 6 -2.487 -8.021 4.272 1.00 0.00 C ATOM 80 C LEU A 6 -3.486 -8.392 5.365 1.00 0.00 C ATOM 81 O LEU A 6 -3.999 -9.512 5.389 1.00 0.00 O ATOM 82 CB LEU A 6 -3.188 -7.370 3.071 1.00 0.00 C ATOM 83 CG LEU A 6 -3.109 -8.108 1.732 1.00 0.00 C ATOM 84 CD1 LEU A 6 -1.668 -8.142 1.177 1.00 0.00 C ATOM 85 CD2 LEU A 6 -3.806 -9.472 1.827 1.00 0.00 C ATOM 0 H LEU A 6 -2.267 -9.819 3.268 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.781 -7.267 4.620 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.240 -7.240 3.324 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.768 -6.374 2.933 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.666 -7.549 0.980 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.657 -8.675 0.226 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.312 -7.123 1.026 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.017 -8.652 1.887 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.740 -9.982 0.866 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.320 -10.076 2.593 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.854 -9.328 2.090 1.00 0.00 H new ATOM 96 N ASP A 7 -3.852 -7.435 6.209 1.00 0.00 N ATOM 97 CA ASP A 7 -4.489 -7.690 7.502 1.00 0.00 C ATOM 98 C ASP A 7 -5.892 -7.101 7.571 1.00 0.00 C ATOM 99 O ASP A 7 -6.723 -7.610 8.320 1.00 0.00 O ATOM 100 CB ASP A 7 -3.616 -7.111 8.625 1.00 0.00 C ATOM 101 CG ASP A 7 -3.114 -8.189 9.582 1.00 0.00 C ATOM 102 OD1 ASP A 7 -2.680 -9.271 9.122 1.00 0.00 O ATOM 103 OD2 ASP A 7 -3.143 -7.969 10.812 1.00 0.00 O ATOM 0 H ASP A 7 -3.714 -6.443 6.014 1.00 0.00 H new ATOM 0 HA ASP A 7 -4.584 -8.769 7.625 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -2.764 -6.591 8.188 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -4.189 -6.371 9.183 1.00 0.00 H new ATOM 107 N ILE A 8 -6.130 -6.089 6.731 1.00 0.00 N ATOM 108 CA ILE A 8 -7.388 -5.509 6.280 1.00 0.00 C ATOM 109 C ILE A 8 -8.441 -5.329 7.374 1.00 0.00 C ATOM 110 O ILE A 8 -9.068 -6.271 7.864 1.00 0.00 O ATOM 111 CB ILE A 8 -7.922 -6.256 5.049 1.00 0.00 C ATOM 112 CG1 ILE A 8 -6.810 -6.443 4.003 1.00 0.00 C ATOM 113 CG2 ILE A 8 -9.114 -5.463 4.478 1.00 0.00 C ATOM 114 CD1 ILE A 8 -7.299 -6.862 2.621 1.00 0.00 C ATOM 0 H ILE A 8 -5.344 -5.601 6.301 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.157 -4.486 5.982 1.00 0.00 H new ATOM 0 HB ILE A 8 -8.259 -7.253 5.331 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.257 -5.508 3.910 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.109 -7.193 4.368 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -9.508 -5.978 3.602 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -9.895 -5.385 5.234 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.784 -4.464 4.193 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.446 -6.970 1.951 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.825 -7.814 2.694 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.975 -6.103 2.229 1.00 0.00 H new ATOM 125 N VAL A 9 -8.666 -4.060 7.689 1.00 0.00 N ATOM 126 CA VAL A 9 -9.455 -3.569 8.797 1.00 0.00 C ATOM 127 C VAL A 9 -10.331 -2.432 8.271 1.00 0.00 C ATOM 128 O VAL A 9 -9.873 -1.315 8.060 1.00 0.00 O ATOM 129 CB VAL A 9 -8.525 -3.240 9.994 1.00 0.00 C ATOM 130 CG1 VAL A 9 -9.344 -3.038 11.269 1.00 0.00 C ATOM 131 CG2 VAL A 9 -7.466 -4.327 10.269 1.00 0.00 C ATOM 0 H VAL A 9 -8.272 -3.299 7.135 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.143 -4.310 9.204 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.002 -2.326 9.714 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.675 -2.808 12.098 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.042 -2.213 11.126 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -9.900 -3.949 11.493 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.852 -4.030 11.119 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -7.963 -5.271 10.493 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.834 -4.450 9.390 1.00 0.00 H new ATOM 141 N GLU A 10 -11.577 -2.725 7.909 1.00 0.00 N ATOM 142 CA GLU A 10 -12.476 -1.733 7.342 1.00 0.00 C ATOM 143 C GLU A 10 -12.915 -0.781 8.464 1.00 0.00 C ATOM 144 O GLU A 10 -13.521 -1.196 9.454 1.00 0.00 O ATOM 145 CB GLU A 10 -13.638 -2.416 6.598 1.00 0.00 C ATOM 146 CG GLU A 10 -13.303 -2.656 5.111 1.00 0.00 C ATOM 147 CD GLU A 10 -14.523 -3.013 4.242 1.00 0.00 C ATOM 148 OE1 GLU A 10 -15.662 -3.068 4.761 1.00 0.00 O ATOM 149 OE2 GLU A 10 -14.368 -3.108 3.000 1.00 0.00 O ATOM 0 H GLU A 10 -11.988 -3.654 8.001 1.00 0.00 H new ATOM 0 HA GLU A 10 -11.974 -1.131 6.584 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.867 -3.368 7.077 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.532 -1.797 6.674 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.832 -1.760 4.707 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.571 -3.461 5.040 1.00 0.00 H new ATOM 154 N GLN A 11 -12.559 0.503 8.348 1.00 0.00 N ATOM 155 CA GLN A 11 -12.876 1.549 9.312 1.00 0.00 C ATOM 156 C GLN A 11 -14.246 2.154 8.961 1.00 0.00 C ATOM 157 O GLN A 11 -15.115 1.457 8.430 1.00 0.00 O ATOM 158 CB GLN A 11 -11.737 2.580 9.406 1.00 0.00 C ATOM 159 CG GLN A 11 -11.227 2.840 10.827 1.00 0.00 C ATOM 160 CD GLN A 11 -12.110 3.781 11.636 1.00 0.00 C ATOM 161 OE1 GLN A 11 -13.238 3.453 12.003 1.00 0.00 O ATOM 162 NE2 GLN A 11 -11.615 4.970 11.935 1.00 0.00 N ATOM 0 H GLN A 11 -12.024 0.849 7.551 1.00 0.00 H new ATOM 0 HA GLN A 11 -12.957 1.131 10.315 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -10.904 2.238 8.792 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.082 3.522 8.980 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -11.148 1.889 11.354 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -10.222 3.258 10.771 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -10.678 5.226 11.623 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -12.170 5.632 12.478 1.00 0.00 H new ATOM 169 N ASP A 12 -14.479 3.427 9.290 1.00 0.00 N ATOM 170 CA ASP A 12 -15.792 4.047 9.156 1.00 0.00 C ATOM 171 C ASP A 12 -16.185 4.141 7.694 1.00 0.00 C ATOM 172 O ASP A 12 -17.197 3.570 7.292 1.00 0.00 O ATOM 173 CB ASP A 12 -15.822 5.447 9.748 1.00 0.00 C ATOM 174 CG ASP A 12 -17.244 6.015 9.628 1.00 0.00 C ATOM 175 OD1 ASP A 12 -18.191 5.413 10.184 1.00 0.00 O ATOM 176 OD2 ASP A 12 -17.430 7.052 8.946 1.00 0.00 O ATOM 0 H ASP A 12 -13.762 4.053 9.656 1.00 0.00 H new ATOM 0 HA ASP A 12 -16.494 3.417 9.701 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -15.515 5.419 10.794 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -15.115 6.091 9.225 1.00 0.00 H new ATOM 180 N ASP A 13 -15.353 4.805 6.884 1.00 0.00 N ATOM 181 CA ASP A 13 -15.574 4.878 5.438 1.00 0.00 C ATOM 182 C ASP A 13 -14.281 4.730 4.619 1.00 0.00 C ATOM 183 O ASP A 13 -14.223 4.899 3.400 1.00 0.00 O ATOM 184 CB ASP A 13 -16.432 6.086 5.034 1.00 0.00 C ATOM 185 CG ASP A 13 -17.301 5.773 3.807 1.00 0.00 C ATOM 186 OD1 ASP A 13 -17.527 4.583 3.475 1.00 0.00 O ATOM 187 OD2 ASP A 13 -17.794 6.725 3.153 1.00 0.00 O ATOM 0 H ASP A 13 -14.521 5.299 7.207 1.00 0.00 H new ATOM 0 HA ASP A 13 -16.167 4.002 5.176 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -17.070 6.376 5.869 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -15.786 6.936 4.816 1.00 0.00 H new ATOM 191 N LYS A 14 -13.220 4.352 5.326 1.00 0.00 N ATOM 192 CA LYS A 14 -11.844 4.177 4.899 1.00 0.00 C ATOM 193 C LYS A 14 -11.467 2.730 5.178 1.00 0.00 C ATOM 194 O LYS A 14 -11.866 2.188 6.208 1.00 0.00 O ATOM 195 CB LYS A 14 -10.968 5.207 5.648 1.00 0.00 C ATOM 196 CG LYS A 14 -11.031 5.094 7.180 1.00 0.00 C ATOM 197 CD LYS A 14 -10.720 6.379 7.951 1.00 0.00 C ATOM 198 CE LYS A 14 -9.311 6.888 7.698 1.00 0.00 C ATOM 199 NZ LYS A 14 -9.003 8.105 8.477 1.00 0.00 N ATOM 0 H LYS A 14 -13.319 4.139 6.319 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.696 4.359 3.834 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -9.933 5.087 5.329 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -11.277 6.211 5.356 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -12.028 4.755 7.461 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.331 4.322 7.499 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.437 7.150 7.668 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -10.851 6.198 9.018 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.594 6.107 7.952 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.189 7.100 6.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.975 8.176 8.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.341 8.942 7.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.476 8.054 9.402 1.00 0.00 H new ATOM 209 N ALA A 15 -10.788 2.073 4.246 1.00 0.00 N ATOM 210 CA ALA A 15 -10.292 0.714 4.458 1.00 0.00 C ATOM 211 C ALA A 15 -8.869 0.785 5.002 1.00 0.00 C ATOM 212 O ALA A 15 -7.987 1.242 4.271 1.00 0.00 O ATOM 213 CB ALA A 15 -10.313 -0.076 3.146 1.00 0.00 C ATOM 0 H ALA A 15 -10.566 2.460 3.329 1.00 0.00 H new ATOM 0 HA ALA A 15 -10.936 0.203 5.174 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -9.941 -1.085 3.323 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -11.334 -0.127 2.768 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.679 0.421 2.412 1.00 0.00 H new ATOM 219 N ILE A 16 -8.617 0.328 6.235 1.00 0.00 N ATOM 220 CA ILE A 16 -7.243 0.219 6.716 1.00 0.00 C ATOM 221 C ILE A 16 -6.688 -1.110 6.184 1.00 0.00 C ATOM 222 O ILE A 16 -6.853 -2.160 6.808 1.00 0.00 O ATOM 223 CB ILE A 16 -7.179 0.322 8.256 1.00 0.00 C ATOM 224 CG1 ILE A 16 -7.790 1.630 8.793 1.00 0.00 C ATOM 225 CG2 ILE A 16 -5.737 0.175 8.756 1.00 0.00 C ATOM 226 CD1 ILE A 16 -7.943 1.565 10.314 1.00 0.00 C ATOM 0 H ILE A 16 -9.332 0.035 6.901 1.00 0.00 H new ATOM 0 HA ILE A 16 -6.630 1.043 6.351 1.00 0.00 H new ATOM 0 HB ILE A 16 -7.781 -0.501 8.642 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -7.155 2.473 8.521 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -8.762 1.801 8.331 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -5.719 0.251 9.843 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.344 -0.796 8.454 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -5.121 0.965 8.327 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -8.376 2.497 10.676 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -8.597 0.734 10.579 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -6.965 1.417 10.772 1.00 0.00 H new ATOM 237 N VAL A 17 -6.027 -1.120 5.033 1.00 0.00 N ATOM 238 CA VAL A 17 -5.228 -2.265 4.612 1.00 0.00 C ATOM 239 C VAL A 17 -3.911 -2.164 5.380 1.00 0.00 C ATOM 240 O VAL A 17 -2.946 -1.535 4.938 1.00 0.00 O ATOM 241 CB VAL A 17 -5.064 -2.289 3.081 1.00 0.00 C ATOM 242 CG1 VAL A 17 -4.276 -3.517 2.603 1.00 0.00 C ATOM 243 CG2 VAL A 17 -6.427 -2.304 2.376 1.00 0.00 C ATOM 0 H VAL A 17 -6.029 -0.344 4.371 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.707 -3.217 4.843 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.515 -1.383 2.826 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.186 -3.491 1.517 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.282 -3.508 3.050 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.800 -4.425 2.902 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.278 -2.321 1.296 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.984 -3.191 2.679 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.989 -1.411 2.651 1.00 0.00 H new ATOM 253 N ARG A 18 -3.860 -2.762 6.569 1.00 0.00 N ATOM 254 CA ARG A 18 -2.570 -2.990 7.205 1.00 0.00 C ATOM 255 C ARG A 18 -1.842 -4.018 6.361 1.00 0.00 C ATOM 256 O ARG A 18 -2.458 -5.018 5.975 1.00 0.00 O ATOM 257 CB ARG A 18 -2.652 -3.440 8.673 1.00 0.00 C ATOM 258 CG ARG A 18 -3.663 -2.646 9.500 1.00 0.00 C ATOM 259 CD ARG A 18 -3.416 -2.740 11.009 1.00 0.00 C ATOM 260 NE ARG A 18 -2.686 -1.547 11.460 1.00 0.00 N ATOM 261 CZ ARG A 18 -2.651 -0.987 12.669 1.00 0.00 C ATOM 262 NH1 ARG A 18 -3.027 -1.643 13.761 1.00 0.00 N ATOM 263 NH2 ARG A 18 -2.227 0.263 12.754 1.00 0.00 N ATOM 0 H ARG A 18 -4.671 -3.087 7.096 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.035 -2.041 7.250 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.918 -4.497 8.706 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.667 -3.345 9.129 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.628 -1.599 9.197 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.667 -3.008 9.280 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.365 -2.821 11.539 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.844 -3.639 11.240 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.126 -1.081 10.746 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.355 -2.606 13.690 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.987 -1.184 14.671 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -1.941 0.763 11.912 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -2.186 0.727 13.661 1.00 0.00 H new ATOM 274 N VAL A 19 -0.577 -3.789 6.041 1.00 0.00 N ATOM 275 CA VAL A 19 0.236 -4.782 5.356 1.00 0.00 C ATOM 276 C VAL A 19 1.089 -5.524 6.403 1.00 0.00 C ATOM 277 O VAL A 19 1.351 -4.971 7.475 1.00 0.00 O ATOM 278 CB VAL A 19 1.026 -4.003 4.290 1.00 0.00 C ATOM 279 CG1 VAL A 19 2.376 -3.517 4.751 1.00 0.00 C ATOM 280 CG2 VAL A 19 1.284 -4.784 3.012 1.00 0.00 C ATOM 0 H VAL A 19 -0.089 -2.917 6.247 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.327 -5.566 4.849 1.00 0.00 H new ATOM 0 HB VAL A 19 0.360 -3.161 4.100 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.865 -2.978 3.939 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.251 -2.851 5.605 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.989 -4.369 5.043 1.00 0.00 H new ATOM 0 HG21 VAL A 19 1.846 -4.164 2.314 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.858 -5.681 3.243 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.333 -5.068 2.561 1.00 0.00 H new ATOM 290 N GLN A 20 1.583 -6.725 6.090 1.00 0.00 N ATOM 291 CA GLN A 20 2.634 -7.415 6.822 1.00 0.00 C ATOM 292 C GLN A 20 3.662 -7.935 5.817 1.00 0.00 C ATOM 293 O GLN A 20 3.302 -8.344 4.703 1.00 0.00 O ATOM 294 CB GLN A 20 2.105 -8.584 7.661 1.00 0.00 C ATOM 295 CG GLN A 20 0.991 -8.197 8.640 1.00 0.00 C ATOM 296 CD GLN A 20 0.938 -9.174 9.814 1.00 0.00 C ATOM 297 OE1 GLN A 20 1.905 -9.323 10.555 1.00 0.00 O ATOM 298 NE2 GLN A 20 -0.158 -9.879 10.033 1.00 0.00 N ATOM 0 H GLN A 20 1.245 -7.258 5.289 1.00 0.00 H new ATOM 0 HA GLN A 20 3.081 -6.704 7.516 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.732 -9.359 6.991 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.932 -9.018 8.222 1.00 0.00 H new ATOM 0 HG2 GLN A 20 1.161 -7.186 9.010 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.032 -8.191 8.123 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -0.968 -9.764 9.424 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.194 -10.538 10.811 1.00 0.00 H new ATOM 305 N GLY A 21 4.928 -7.922 6.229 1.00 0.00 N ATOM 306 CA GLY A 21 6.085 -8.341 5.466 1.00 0.00 C ATOM 307 C GLY A 21 6.725 -7.142 4.783 1.00 0.00 C ATOM 308 O GLY A 21 6.035 -6.202 4.379 1.00 0.00 O ATOM 0 H GLY A 21 5.181 -7.598 7.162 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.808 -8.823 6.123 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.790 -9.079 4.720 1.00 0.00 H new ATOM 312 N ASP A 22 8.037 -7.219 4.599 1.00 0.00 N ATOM 313 CA ASP A 22 8.804 -6.647 3.495 1.00 0.00 C ATOM 314 C ASP A 22 8.138 -6.984 2.160 1.00 0.00 C ATOM 315 O ASP A 22 7.297 -7.874 2.060 1.00 0.00 O ATOM 316 CB ASP A 22 10.246 -7.183 3.544 1.00 0.00 C ATOM 317 CG ASP A 22 10.319 -8.696 3.768 1.00 0.00 C ATOM 318 OD1 ASP A 22 10.087 -9.120 4.926 1.00 0.00 O ATOM 319 OD2 ASP A 22 10.647 -9.453 2.824 1.00 0.00 O ATOM 0 H ASP A 22 8.635 -7.715 5.260 1.00 0.00 H new ATOM 0 HA ASP A 22 8.831 -5.562 3.591 1.00 0.00 H new ATOM 0 HB2 ASP A 22 10.751 -6.936 2.610 1.00 0.00 H new ATOM 0 HB3 ASP A 22 10.788 -6.677 4.343 1.00 0.00 H new ATOM 323 N ILE A 23 8.460 -6.205 1.140 1.00 0.00 N ATOM 324 CA ILE A 23 7.880 -6.194 -0.181 1.00 0.00 C ATOM 325 C ILE A 23 9.013 -6.430 -1.177 1.00 0.00 C ATOM 326 O ILE A 23 9.927 -5.616 -1.275 1.00 0.00 O ATOM 327 CB ILE A 23 7.124 -4.850 -0.361 1.00 0.00 C ATOM 328 CG1 ILE A 23 6.579 -4.697 -1.778 1.00 0.00 C ATOM 329 CG2 ILE A 23 7.945 -3.578 -0.123 1.00 0.00 C ATOM 330 CD1 ILE A 23 5.359 -3.784 -1.839 1.00 0.00 C ATOM 0 H ILE A 23 9.198 -5.507 1.230 1.00 0.00 H new ATOM 0 HA ILE A 23 7.145 -6.981 -0.346 1.00 0.00 H new ATOM 0 HB ILE A 23 6.350 -4.925 0.403 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.361 -4.297 -2.423 1.00 0.00 H new ATOM 0 HG13 ILE A 23 6.314 -5.679 -2.170 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.313 -2.703 -0.277 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.325 -3.576 0.899 1.00 0.00 H new ATOM 0 HG23 ILE A 23 8.782 -3.549 -0.821 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.011 -3.710 -2.869 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.565 -4.196 -1.217 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.628 -2.793 -1.474 1.00 0.00 H new ATOM 341 N ASP A 24 8.973 -7.512 -1.948 1.00 0.00 N ATOM 342 CA ASP A 24 9.994 -7.822 -2.948 1.00 0.00 C ATOM 343 C ASP A 24 9.403 -8.301 -4.269 1.00 0.00 C ATOM 344 O ASP A 24 8.186 -8.291 -4.458 1.00 0.00 O ATOM 345 CB ASP A 24 11.012 -8.833 -2.407 1.00 0.00 C ATOM 346 CG ASP A 24 10.491 -10.251 -2.163 1.00 0.00 C ATOM 347 OD1 ASP A 24 9.608 -10.706 -2.920 1.00 0.00 O ATOM 348 OD2 ASP A 24 11.054 -10.950 -1.284 1.00 0.00 O ATOM 0 H ASP A 24 8.226 -8.205 -1.898 1.00 0.00 H new ATOM 0 HA ASP A 24 10.512 -6.886 -3.157 1.00 0.00 H new ATOM 0 HB2 ASP A 24 11.845 -8.890 -3.108 1.00 0.00 H new ATOM 0 HB3 ASP A 24 11.411 -8.448 -1.469 1.00 0.00 H new ATOM 352 N ALA A 25 10.273 -8.683 -5.206 1.00 0.00 N ATOM 353 CA ALA A 25 9.937 -9.127 -6.547 1.00 0.00 C ATOM 354 C ALA A 25 9.026 -10.358 -6.572 1.00 0.00 C ATOM 355 O ALA A 25 8.216 -10.470 -7.492 1.00 0.00 O ATOM 356 CB ALA A 25 11.240 -9.406 -7.293 1.00 0.00 C ATOM 0 H ALA A 25 11.279 -8.689 -5.035 1.00 0.00 H new ATOM 0 HA ALA A 25 9.367 -8.335 -7.034 1.00 0.00 H new ATOM 0 HB1 ALA A 25 11.015 -9.742 -8.305 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.836 -8.495 -7.337 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.800 -10.181 -6.770 1.00 0.00 H new ATOM 362 N TYR A 26 9.108 -11.260 -5.594 1.00 0.00 N ATOM 363 CA TYR A 26 8.192 -12.386 -5.474 1.00 0.00 C ATOM 364 C TYR A 26 6.848 -11.908 -4.919 1.00 0.00 C ATOM 365 O TYR A 26 5.794 -12.409 -5.297 1.00 0.00 O ATOM 366 CB TYR A 26 8.775 -13.444 -4.526 1.00 0.00 C ATOM 367 CG TYR A 26 10.247 -13.804 -4.686 1.00 0.00 C ATOM 368 CD1 TYR A 26 10.712 -14.522 -5.802 1.00 0.00 C ATOM 369 CD2 TYR A 26 11.158 -13.460 -3.672 1.00 0.00 C ATOM 370 CE1 TYR A 26 12.055 -14.943 -5.860 1.00 0.00 C ATOM 371 CE2 TYR A 26 12.483 -13.912 -3.696 1.00 0.00 C ATOM 372 CZ TYR A 26 12.932 -14.690 -4.780 1.00 0.00 C ATOM 373 OH TYR A 26 14.210 -15.151 -4.785 1.00 0.00 O ATOM 0 H TYR A 26 9.816 -11.227 -4.861 1.00 0.00 H new ATOM 0 HA TYR A 26 8.048 -12.822 -6.462 1.00 0.00 H new ATOM 0 HB2 TYR A 26 8.624 -13.098 -3.504 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.192 -14.357 -4.643 1.00 0.00 H new ATOM 0 HD1 TYR A 26 10.039 -14.751 -6.615 1.00 0.00 H new ATOM 0 HD2 TYR A 26 10.829 -12.833 -2.857 1.00 0.00 H new ATOM 0 HE1 TYR A 26 12.417 -15.462 -6.735 1.00 0.00 H new ATOM 0 HE2 TYR A 26 13.156 -13.665 -2.888 1.00 0.00 H new ATOM 0 HH TYR A 26 14.660 -14.877 -3.959 1.00 0.00 H new ATOM 382 N ASN A 27 6.865 -10.913 -4.029 1.00 0.00 N ATOM 383 CA ASN A 27 5.684 -10.365 -3.377 1.00 0.00 C ATOM 384 C ASN A 27 5.016 -9.384 -4.338 1.00 0.00 C ATOM 385 O ASN A 27 3.892 -8.945 -4.100 1.00 0.00 O ATOM 386 CB ASN A 27 6.061 -9.663 -2.055 1.00 0.00 C ATOM 387 CG ASN A 27 7.090 -10.362 -1.159 1.00 0.00 C ATOM 388 OD1 ASN A 27 7.787 -9.687 -0.418 1.00 0.00 O ATOM 389 ND2 ASN A 27 7.209 -11.679 -1.175 1.00 0.00 N ATOM 0 H ASN A 27 7.729 -10.456 -3.737 1.00 0.00 H new ATOM 0 HA ASN A 27 4.993 -11.171 -3.130 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.442 -8.671 -2.296 1.00 0.00 H new ATOM 0 HB3 ASN A 27 5.149 -9.522 -1.475 1.00 0.00 H new ATOM 0 HD21 ASN A 27 7.886 -12.137 -0.566 1.00 0.00 H new ATOM 0 HD22 ASN A 27 6.623 -12.236 -1.797 1.00 0.00 H new ATOM 395 N SER A 28 5.704 -9.058 -5.438 1.00 0.00 N ATOM 396 CA SER A 28 5.292 -8.157 -6.475 1.00 0.00 C ATOM 397 C SER A 28 4.108 -8.688 -7.296 1.00 0.00 C ATOM 398 O SER A 28 3.599 -7.968 -8.155 1.00 0.00 O ATOM 399 CB SER A 28 6.486 -7.819 -7.375 1.00 0.00 C ATOM 400 OG SER A 28 6.263 -6.646 -8.130 1.00 0.00 O ATOM 0 H SER A 28 6.625 -9.455 -5.622 1.00 0.00 H new ATOM 0 HA SER A 28 4.935 -7.247 -5.993 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.378 -7.691 -6.762 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.680 -8.653 -8.049 1.00 0.00 H new ATOM 0 HG SER A 28 5.763 -5.999 -7.589 1.00 0.00 H new ATOM 405 N SER A 29 3.662 -9.924 -7.083 1.00 0.00 N ATOM 406 CA SER A 29 2.359 -10.373 -7.553 1.00 0.00 C ATOM 407 C SER A 29 1.426 -10.615 -6.393 1.00 0.00 C ATOM 408 O SER A 29 0.230 -10.474 -6.570 1.00 0.00 O ATOM 409 CB SER A 29 2.503 -11.579 -8.470 1.00 0.00 C ATOM 410 OG SER A 29 3.092 -12.698 -7.835 1.00 0.00 O ATOM 0 H SER A 29 4.192 -10.637 -6.582 1.00 0.00 H new ATOM 0 HA SER A 29 1.905 -9.584 -8.152 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.519 -11.860 -8.847 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.107 -11.300 -9.333 1.00 0.00 H new ATOM 0 HG SER A 29 3.156 -13.440 -8.472 1.00 0.00 H new ATOM 415 N GLU A 30 1.944 -10.902 -5.204 1.00 0.00 N ATOM 416 CA GLU A 30 1.097 -11.254 -4.092 1.00 0.00 C ATOM 417 C GLU A 30 0.352 -10.030 -3.563 1.00 0.00 C ATOM 418 O GLU A 30 -0.853 -9.972 -3.753 1.00 0.00 O ATOM 419 CB GLU A 30 1.933 -12.001 -3.045 1.00 0.00 C ATOM 420 CG GLU A 30 1.221 -13.301 -2.675 1.00 0.00 C ATOM 421 CD GLU A 30 2.109 -14.207 -1.833 1.00 0.00 C ATOM 422 OE1 GLU A 30 3.263 -14.497 -2.230 1.00 0.00 O ATOM 423 OE2 GLU A 30 1.627 -14.695 -0.785 1.00 0.00 O ATOM 0 H GLU A 30 2.942 -10.895 -4.995 1.00 0.00 H new ATOM 0 HA GLU A 30 0.308 -11.937 -4.407 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.926 -12.215 -3.439 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.069 -11.381 -2.159 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.308 -13.073 -2.125 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.923 -13.825 -3.583 1.00 0.00 H new ATOM 428 N LEU A 31 0.997 -9.021 -2.955 1.00 0.00 N ATOM 429 CA LEU A 31 0.311 -7.777 -2.580 1.00 0.00 C ATOM 430 C LEU A 31 -0.481 -7.219 -3.743 1.00 0.00 C ATOM 431 O LEU A 31 -1.625 -6.811 -3.568 1.00 0.00 O ATOM 432 CB LEU A 31 1.311 -6.797 -1.986 1.00 0.00 C ATOM 433 CG LEU A 31 0.673 -5.457 -1.611 1.00 0.00 C ATOM 434 CD1 LEU A 31 1.430 -4.836 -0.447 1.00 0.00 C ATOM 435 CD2 LEU A 31 0.785 -4.529 -2.796 1.00 0.00 C ATOM 0 H LEU A 31 1.988 -9.043 -2.714 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.426 -7.981 -1.804 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.765 -7.240 -1.099 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.114 -6.625 -2.702 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.369 -5.613 -1.332 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.973 -3.882 -0.183 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.392 -5.507 0.411 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.469 -4.673 -0.734 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.335 -3.567 -2.549 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.836 -4.385 -3.047 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.265 -4.964 -3.649 1.00 0.00 H new ATOM 446 N LYS A 32 0.142 -7.209 -4.917 1.00 0.00 N ATOM 447 CA LYS A 32 -0.484 -6.724 -6.135 1.00 0.00 C ATOM 448 C LYS A 32 -1.852 -7.385 -6.328 1.00 0.00 C ATOM 449 O LYS A 32 -2.852 -6.673 -6.436 1.00 0.00 O ATOM 450 CB LYS A 32 0.462 -7.001 -7.325 1.00 0.00 C ATOM 451 CG LYS A 32 0.065 -6.066 -8.466 1.00 0.00 C ATOM 452 CD LYS A 32 0.842 -6.285 -9.768 1.00 0.00 C ATOM 453 CE LYS A 32 2.219 -5.612 -9.764 1.00 0.00 C ATOM 454 NZ LYS A 32 2.835 -5.573 -11.106 1.00 0.00 N ATOM 0 H LYS A 32 1.098 -7.539 -5.047 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.654 -5.649 -6.069 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.499 -6.831 -7.036 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.385 -8.042 -7.640 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.999 -6.191 -8.668 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.209 -5.036 -8.141 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.967 -7.355 -9.934 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.257 -5.899 -10.603 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.122 -4.595 -9.383 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.879 -6.147 -9.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.308 -4.657 -11.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.533 -6.339 -11.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.098 -5.695 -11.830 1.00 0.00 H new ATOM 464 N GLU A 33 -1.911 -8.718 -6.348 1.00 0.00 N ATOM 465 CA GLU A 33 -3.150 -9.453 -6.524 1.00 0.00 C ATOM 466 C GLU A 33 -4.098 -9.183 -5.365 1.00 0.00 C ATOM 467 O GLU A 33 -5.283 -8.948 -5.578 1.00 0.00 O ATOM 468 CB GLU A 33 -2.924 -10.944 -6.788 1.00 0.00 C ATOM 469 CG GLU A 33 -2.770 -11.873 -5.596 1.00 0.00 C ATOM 470 CD GLU A 33 -3.011 -13.316 -6.026 1.00 0.00 C ATOM 471 OE1 GLU A 33 -2.341 -13.797 -6.966 1.00 0.00 O ATOM 472 OE2 GLU A 33 -3.956 -13.943 -5.489 1.00 0.00 O ATOM 0 H GLU A 33 -1.091 -9.315 -6.241 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.632 -9.084 -7.429 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.761 -11.306 -7.385 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.029 -11.041 -7.402 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.770 -11.773 -5.173 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.476 -11.595 -4.814 1.00 0.00 H new ATOM 477 N GLN A 34 -3.580 -9.180 -4.135 1.00 0.00 N ATOM 478 CA GLN A 34 -4.386 -9.051 -2.932 1.00 0.00 C ATOM 479 C GLN A 34 -5.062 -7.686 -2.898 1.00 0.00 C ATOM 480 O GLN A 34 -6.095 -7.529 -2.254 1.00 0.00 O ATOM 481 CB GLN A 34 -3.542 -9.270 -1.679 1.00 0.00 C ATOM 482 CG GLN A 34 -2.828 -10.628 -1.719 1.00 0.00 C ATOM 483 CD GLN A 34 -3.228 -11.669 -0.685 1.00 0.00 C ATOM 484 OE1 GLN A 34 -4.369 -12.112 -0.612 1.00 0.00 O ATOM 485 NE2 GLN A 34 -2.281 -12.144 0.102 1.00 0.00 N ATOM 0 H GLN A 34 -2.581 -9.268 -3.951 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.157 -9.822 -2.950 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -2.805 -8.472 -1.590 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.178 -9.217 -0.795 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.985 -11.060 -2.707 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -1.758 -10.447 -1.616 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.333 -11.774 0.039 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.498 -12.881 0.773 1.00 0.00 H new ATOM 492 N LEU A 35 -4.498 -6.687 -3.580 1.00 0.00 N ATOM 493 CA LEU A 35 -5.130 -5.388 -3.734 1.00 0.00 C ATOM 494 C LEU A 35 -6.044 -5.352 -4.928 1.00 0.00 C ATOM 495 O LEU A 35 -7.108 -4.821 -4.727 1.00 0.00 O ATOM 496 CB LEU A 35 -4.141 -4.245 -3.860 1.00 0.00 C ATOM 497 CG LEU A 35 -3.544 -3.808 -2.520 1.00 0.00 C ATOM 498 CD1 LEU A 35 -2.333 -2.894 -2.703 1.00 0.00 C ATOM 499 CD2 LEU A 35 -4.567 -3.064 -1.634 1.00 0.00 C ATOM 0 H LEU A 35 -3.590 -6.762 -4.039 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.701 -5.249 -2.816 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.334 -4.545 -4.529 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.639 -3.393 -4.323 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.241 -4.733 -2.029 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.942 -2.609 -1.727 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.561 -3.421 -3.263 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.632 -2.000 -3.250 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.094 -2.776 -0.695 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.917 -2.172 -2.153 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.413 -3.719 -1.427 1.00 0.00 H new ATOM 510 N ARG A 36 -5.754 -5.846 -6.136 1.00 0.00 N ATOM 511 CA ARG A 36 -6.813 -5.842 -7.169 1.00 0.00 C ATOM 512 C ARG A 36 -8.029 -6.644 -6.698 1.00 0.00 C ATOM 513 O ARG A 36 -9.163 -6.229 -6.937 1.00 0.00 O ATOM 514 CB ARG A 36 -6.327 -6.324 -8.546 1.00 0.00 C ATOM 515 CG ARG A 36 -5.573 -7.652 -8.482 1.00 0.00 C ATOM 516 CD ARG A 36 -5.089 -8.172 -9.839 1.00 0.00 C ATOM 517 NE ARG A 36 -5.683 -9.479 -10.160 1.00 0.00 N ATOM 518 CZ ARG A 36 -6.630 -9.753 -11.062 1.00 0.00 C ATOM 519 NH1 ARG A 36 -7.112 -8.809 -11.860 1.00 0.00 N ATOM 520 NH2 ARG A 36 -7.100 -10.986 -11.151 1.00 0.00 N ATOM 0 H ARG A 36 -4.854 -6.233 -6.420 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.107 -4.801 -7.306 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.184 -6.431 -9.211 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.678 -5.565 -8.982 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.712 -7.536 -7.823 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.221 -8.402 -8.030 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.346 -7.454 -10.617 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.002 -8.258 -9.830 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.328 -10.274 -9.629 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.760 -7.854 -11.791 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.835 -9.038 -12.542 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.740 -11.715 -10.535 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.823 -11.208 -11.835 1.00 0.00 H new ATOM 531 N ASN A 37 -7.798 -7.742 -5.976 1.00 0.00 N ATOM 532 CA ASN A 37 -8.834 -8.600 -5.443 1.00 0.00 C ATOM 533 C ASN A 37 -9.590 -7.815 -4.373 1.00 0.00 C ATOM 534 O ASN A 37 -10.824 -7.821 -4.339 1.00 0.00 O ATOM 535 CB ASN A 37 -8.228 -9.900 -4.863 1.00 0.00 C ATOM 536 CG ASN A 37 -7.784 -10.928 -5.897 1.00 0.00 C ATOM 537 OD1 ASN A 37 -8.067 -10.831 -7.091 1.00 0.00 O ATOM 538 ND2 ASN A 37 -7.067 -11.951 -5.451 1.00 0.00 N ATOM 0 H ASN A 37 -6.857 -8.059 -5.745 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.520 -8.899 -6.235 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.370 -9.637 -4.244 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.964 -10.364 -4.207 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.744 -12.669 -6.100 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.839 -12.020 -4.459 1.00 0.00 H new ATOM 544 N PHE A 38 -8.855 -7.096 -3.516 1.00 0.00 N ATOM 545 CA PHE A 38 -9.471 -6.381 -2.423 1.00 0.00 C ATOM 546 C PHE A 38 -10.139 -5.111 -2.910 1.00 0.00 C ATOM 547 O PHE A 38 -11.259 -4.864 -2.507 1.00 0.00 O ATOM 548 CB PHE A 38 -8.498 -6.067 -1.298 1.00 0.00 C ATOM 549 CG PHE A 38 -9.103 -5.196 -0.220 1.00 0.00 C ATOM 550 CD1 PHE A 38 -10.148 -5.677 0.595 1.00 0.00 C ATOM 551 CD2 PHE A 38 -8.663 -3.868 -0.091 1.00 0.00 C ATOM 552 CE1 PHE A 38 -10.755 -4.825 1.537 1.00 0.00 C ATOM 553 CE2 PHE A 38 -9.258 -3.026 0.857 1.00 0.00 C ATOM 554 CZ PHE A 38 -10.303 -3.502 1.670 1.00 0.00 C ATOM 0 H PHE A 38 -7.841 -7.002 -3.568 1.00 0.00 H new ATOM 0 HA PHE A 38 -10.230 -7.047 -2.013 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.153 -7.000 -0.852 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -7.622 -5.568 -1.712 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -10.483 -6.699 0.497 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -7.868 -3.497 -0.721 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -11.564 -5.187 2.154 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -8.914 -2.008 0.964 1.00 0.00 H new ATOM 0 HZ PHE A 38 -10.759 -2.848 2.399 1.00 0.00 H new ATOM 563 N ILE A 39 -9.525 -4.311 -3.778 1.00 0.00 N ATOM 564 CA ILE A 39 -10.207 -3.219 -4.470 1.00 0.00 C ATOM 565 C ILE A 39 -11.520 -3.695 -5.109 1.00 0.00 C ATOM 566 O ILE A 39 -12.488 -2.935 -5.083 1.00 0.00 O ATOM 567 CB ILE A 39 -9.241 -2.558 -5.475 1.00 0.00 C ATOM 568 CG1 ILE A 39 -8.449 -1.385 -4.843 1.00 0.00 C ATOM 569 CG2 ILE A 39 -9.901 -2.003 -6.743 1.00 0.00 C ATOM 570 CD1 ILE A 39 -7.277 -1.806 -3.962 1.00 0.00 C ATOM 0 H ILE A 39 -8.539 -4.401 -4.022 1.00 0.00 H new ATOM 0 HA ILE A 39 -10.496 -2.455 -3.748 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.587 -3.385 -5.753 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.073 -0.746 -5.642 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -9.134 -0.781 -4.248 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.140 -1.559 -7.385 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.400 -2.812 -7.277 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.633 -1.243 -6.469 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.784 -0.919 -3.564 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -7.643 -2.418 -3.138 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.566 -2.382 -4.554 1.00 0.00 H new ATOM 581 N SER A 40 -11.595 -4.913 -5.660 1.00 0.00 N ATOM 582 CA SER A 40 -12.855 -5.396 -6.209 1.00 0.00 C ATOM 583 C SER A 40 -13.845 -5.842 -5.124 1.00 0.00 C ATOM 584 O SER A 40 -15.025 -5.983 -5.440 1.00 0.00 O ATOM 585 CB SER A 40 -12.625 -6.487 -7.261 1.00 0.00 C ATOM 586 OG SER A 40 -13.571 -6.319 -8.307 1.00 0.00 O ATOM 0 H SER A 40 -10.814 -5.565 -5.734 1.00 0.00 H new ATOM 0 HA SER A 40 -13.322 -4.549 -6.711 1.00 0.00 H new ATOM 0 HB2 SER A 40 -11.611 -6.424 -7.655 1.00 0.00 H new ATOM 0 HB3 SER A 40 -12.731 -7.474 -6.811 1.00 0.00 H new ATOM 0 HG SER A 40 -13.433 -7.011 -8.987 1.00 0.00 H new ATOM 591 N THR A 41 -13.429 -6.033 -3.870 1.00 0.00 N ATOM 592 CA THR A 41 -14.296 -6.198 -2.725 1.00 0.00 C ATOM 593 C THR A 41 -14.708 -4.823 -2.171 1.00 0.00 C ATOM 594 O THR A 41 -15.904 -4.582 -1.972 1.00 0.00 O ATOM 595 CB THR A 41 -13.530 -7.018 -1.683 1.00 0.00 C ATOM 596 OG1 THR A 41 -13.180 -8.302 -2.169 1.00 0.00 O ATOM 597 CG2 THR A 41 -14.312 -7.159 -0.388 1.00 0.00 C ATOM 0 H THR A 41 -12.440 -6.077 -3.626 1.00 0.00 H new ATOM 0 HA THR A 41 -15.214 -6.719 -2.999 1.00 0.00 H new ATOM 0 HB THR A 41 -12.613 -6.465 -1.479 1.00 0.00 H new ATOM 0 HG1 THR A 41 -12.456 -8.218 -2.824 1.00 0.00 H new ATOM 0 HG21 THR A 41 -13.733 -7.747 0.324 1.00 0.00 H new ATOM 0 HG22 THR A 41 -14.505 -6.171 0.030 1.00 0.00 H new ATOM 0 HG23 THR A 41 -15.259 -7.660 -0.588 1.00 0.00 H new ATOM 605 N THR A 42 -13.715 -3.971 -1.874 1.00 0.00 N ATOM 606 CA THR A 42 -13.659 -3.058 -0.740 1.00 0.00 C ATOM 607 C THR A 42 -14.918 -2.223 -0.649 1.00 0.00 C ATOM 608 O THR A 42 -15.195 -1.368 -1.491 1.00 0.00 O ATOM 609 CB THR A 42 -12.355 -2.236 -0.771 1.00 0.00 C ATOM 610 OG1 THR A 42 -12.236 -1.379 0.351 1.00 0.00 O ATOM 611 CG2 THR A 42 -12.180 -1.380 -2.021 1.00 0.00 C ATOM 0 H THR A 42 -12.883 -3.903 -2.460 1.00 0.00 H new ATOM 0 HA THR A 42 -13.628 -3.633 0.186 1.00 0.00 H new ATOM 0 HB THR A 42 -11.576 -2.998 -0.762 1.00 0.00 H new ATOM 0 HG1 THR A 42 -12.638 -0.510 0.143 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.238 -0.836 -1.960 1.00 0.00 H new ATOM 0 HG22 THR A 42 -12.173 -2.021 -2.903 1.00 0.00 H new ATOM 0 HG23 THR A 42 -13.004 -0.671 -2.095 1.00 0.00 H new ATOM 619 N SER A 43 -15.673 -2.462 0.411 1.00 0.00 N ATOM 620 CA SER A 43 -16.872 -1.722 0.699 1.00 0.00 C ATOM 621 C SER A 43 -16.511 -0.244 0.919 1.00 0.00 C ATOM 622 O SER A 43 -17.243 0.655 0.494 1.00 0.00 O ATOM 623 CB SER A 43 -17.469 -2.427 1.915 1.00 0.00 C ATOM 624 OG SER A 43 -18.701 -1.871 2.299 1.00 0.00 O ATOM 0 H SER A 43 -15.461 -3.185 1.098 1.00 0.00 H new ATOM 0 HA SER A 43 -17.609 -1.706 -0.104 1.00 0.00 H new ATOM 0 HB2 SER A 43 -17.604 -3.485 1.689 1.00 0.00 H new ATOM 0 HB3 SER A 43 -16.769 -2.366 2.748 1.00 0.00 H new ATOM 0 HG SER A 43 -19.048 -2.352 3.079 1.00 0.00 H new ATOM 629 N LYS A 44 -15.349 0.029 1.522 1.00 0.00 N ATOM 630 CA LYS A 44 -14.898 1.390 1.820 1.00 0.00 C ATOM 631 C LYS A 44 -14.056 1.925 0.672 1.00 0.00 C ATOM 632 O LYS A 44 -13.292 1.170 0.067 1.00 0.00 O ATOM 633 CB LYS A 44 -14.113 1.406 3.135 1.00 0.00 C ATOM 634 CG LYS A 44 -15.033 1.458 4.365 1.00 0.00 C ATOM 635 CD LYS A 44 -15.913 0.223 4.541 1.00 0.00 C ATOM 636 CE LYS A 44 -16.347 0.005 5.992 1.00 0.00 C ATOM 637 NZ LYS A 44 -17.371 0.966 6.433 1.00 0.00 N ATOM 0 H LYS A 44 -14.692 -0.693 1.818 1.00 0.00 H new ATOM 0 HA LYS A 44 -15.766 2.039 1.934 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.485 0.517 3.191 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.446 2.268 3.147 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -14.421 1.584 5.258 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -15.672 2.338 4.290 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -16.798 0.321 3.913 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.371 -0.656 4.193 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -16.735 -1.008 6.102 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -15.476 0.085 6.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -17.855 0.595 7.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -16.919 1.873 6.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -18.064 1.109 5.671 1.00 0.00 H new ATOM 647 N LYS A 45 -14.164 3.224 0.385 1.00 0.00 N ATOM 648 CA LYS A 45 -13.397 3.867 -0.684 1.00 0.00 C ATOM 649 C LYS A 45 -11.965 4.160 -0.294 1.00 0.00 C ATOM 650 O LYS A 45 -11.099 4.021 -1.152 1.00 0.00 O ATOM 651 CB LYS A 45 -14.055 5.175 -1.151 1.00 0.00 C ATOM 652 CG LYS A 45 -15.226 4.853 -2.077 1.00 0.00 C ATOM 653 CD LYS A 45 -15.927 6.101 -2.615 1.00 0.00 C ATOM 654 CE LYS A 45 -16.882 5.729 -3.754 1.00 0.00 C ATOM 655 NZ LYS A 45 -17.863 4.684 -3.379 1.00 0.00 N ATOM 0 H LYS A 45 -14.785 3.859 0.886 1.00 0.00 H new ATOM 0 HA LYS A 45 -13.391 3.144 -1.500 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.404 5.746 -0.291 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.326 5.796 -1.672 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.865 4.257 -2.915 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.950 4.241 -1.538 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.480 6.589 -1.813 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.186 6.816 -2.972 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -17.418 6.622 -4.076 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.300 5.382 -4.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -18.581 4.598 -4.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.373 3.774 -3.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -18.324 4.946 -2.484 1.00 0.00 H new ATOM 665 N LYS A 46 -11.702 4.654 0.919 1.00 0.00 N ATOM 666 CA LYS A 46 -10.397 5.254 1.196 1.00 0.00 C ATOM 667 C LYS A 46 -9.368 4.183 1.506 1.00 0.00 C ATOM 668 O LYS A 46 -9.336 3.745 2.650 1.00 0.00 O ATOM 669 CB LYS A 46 -10.523 6.413 2.201 1.00 0.00 C ATOM 670 CG LYS A 46 -9.304 7.349 2.202 1.00 0.00 C ATOM 671 CD LYS A 46 -9.532 8.719 2.862 1.00 0.00 C ATOM 672 CE LYS A 46 -10.090 8.646 4.285 1.00 0.00 C ATOM 673 NZ LYS A 46 -11.520 9.019 4.353 1.00 0.00 N ATOM 0 H LYS A 46 -12.354 4.651 1.703 1.00 0.00 H new ATOM 0 HA LYS A 46 -10.002 5.739 0.304 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -11.417 6.992 1.968 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -10.660 6.004 3.202 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.482 6.849 2.714 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.987 7.508 1.171 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.587 9.262 2.882 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.219 9.297 2.244 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.963 7.634 4.670 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.514 9.308 4.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.849 8.953 5.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.641 9.994 4.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -12.076 8.372 3.758 1.00 0.00 H new ATOM 683 N ILE A 47 -8.608 3.685 0.519 1.00 0.00 N ATOM 684 CA ILE A 47 -7.748 2.534 0.747 1.00 0.00 C ATOM 685 C ILE A 47 -6.447 3.078 1.317 1.00 0.00 C ATOM 686 O ILE A 47 -5.657 3.711 0.611 1.00 0.00 O ATOM 687 CB ILE A 47 -7.551 1.703 -0.536 1.00 0.00 C ATOM 688 CG1 ILE A 47 -8.852 1.467 -1.337 1.00 0.00 C ATOM 689 CG2 ILE A 47 -6.895 0.353 -0.203 1.00 0.00 C ATOM 690 CD1 ILE A 47 -10.029 0.908 -0.533 1.00 0.00 C ATOM 0 H ILE A 47 -8.577 4.061 -0.429 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.198 1.835 1.452 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.897 2.295 -1.176 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.158 2.412 -1.786 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.635 0.780 -2.155 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.762 -0.223 -1.119 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.924 0.525 0.261 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.533 -0.202 0.485 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -10.890 0.780 -1.189 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -9.753 -0.056 -0.105 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -10.284 1.601 0.269 1.00 0.00 H new ATOM 701 N VAL A 48 -6.267 2.931 2.616 1.00 0.00 N ATOM 702 CA VAL A 48 -5.069 3.339 3.323 1.00 0.00 C ATOM 703 C VAL A 48 -4.185 2.102 3.403 1.00 0.00 C ATOM 704 O VAL A 48 -4.683 1.011 3.683 1.00 0.00 O ATOM 705 CB VAL A 48 -5.471 3.877 4.713 1.00 0.00 C ATOM 706 CG1 VAL A 48 -4.292 4.596 5.364 1.00 0.00 C ATOM 707 CG2 VAL A 48 -6.665 4.849 4.666 1.00 0.00 C ATOM 0 H VAL A 48 -6.970 2.513 3.225 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.525 4.140 2.823 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.769 3.006 5.296 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.590 4.970 6.343 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.460 3.901 5.479 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.983 5.431 4.735 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.896 5.190 5.675 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.412 5.706 4.042 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.533 4.339 4.247 1.00 0.00 H new ATOM 717 N LEU A 49 -2.881 2.249 3.185 1.00 0.00 N ATOM 718 CA LEU A 49 -1.918 1.156 3.247 1.00 0.00 C ATOM 719 C LEU A 49 -0.923 1.400 4.363 1.00 0.00 C ATOM 720 O LEU A 49 -0.137 2.326 4.266 1.00 0.00 O ATOM 721 CB LEU A 49 -1.197 0.985 1.907 1.00 0.00 C ATOM 722 CG LEU A 49 -1.629 -0.174 0.999 1.00 0.00 C ATOM 723 CD1 LEU A 49 -1.539 -1.541 1.693 1.00 0.00 C ATOM 724 CD2 LEU A 49 -3.017 0.101 0.418 1.00 0.00 C ATOM 0 H LEU A 49 -2.457 3.148 2.956 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.458 0.233 3.456 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.314 1.911 1.344 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.133 0.869 2.113 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.922 -0.230 0.171 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.857 -2.322 1.002 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.510 -1.726 2.000 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.186 -1.547 2.570 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.313 -0.728 -0.225 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.737 0.206 1.230 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.991 1.021 -0.166 1.00 0.00 H new ATOM 735 N ASP A 50 -0.970 0.606 5.425 1.00 0.00 N ATOM 736 CA ASP A 50 -0.162 0.807 6.636 1.00 0.00 C ATOM 737 C ASP A 50 1.150 0.053 6.498 1.00 0.00 C ATOM 738 O ASP A 50 1.086 -1.175 6.390 1.00 0.00 O ATOM 739 CB ASP A 50 -0.942 0.237 7.841 1.00 0.00 C ATOM 740 CG ASP A 50 -0.695 0.899 9.182 1.00 0.00 C ATOM 741 OD1 ASP A 50 -0.221 2.038 9.236 1.00 0.00 O ATOM 742 OD2 ASP A 50 -1.092 0.304 10.208 1.00 0.00 O ATOM 0 H ASP A 50 -1.578 -0.211 5.477 1.00 0.00 H new ATOM 0 HA ASP A 50 0.041 1.868 6.779 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.007 0.302 7.619 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.700 -0.822 7.934 1.00 0.00 H new ATOM 746 N LEU A 51 2.319 0.717 6.432 1.00 0.00 N ATOM 747 CA LEU A 51 3.541 0.058 6.020 1.00 0.00 C ATOM 748 C LEU A 51 4.519 -0.170 7.166 1.00 0.00 C ATOM 749 O LEU A 51 5.713 -0.370 6.949 1.00 0.00 O ATOM 750 CB LEU A 51 4.109 0.730 4.766 1.00 0.00 C ATOM 751 CG LEU A 51 3.044 0.979 3.669 1.00 0.00 C ATOM 752 CD1 LEU A 51 3.653 1.790 2.547 1.00 0.00 C ATOM 753 CD2 LEU A 51 2.420 -0.287 3.077 1.00 0.00 C ATOM 0 H LEU A 51 2.428 1.705 6.661 1.00 0.00 H new ATOM 0 HA LEU A 51 3.309 -0.964 5.721 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.562 1.681 5.045 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.904 0.107 4.356 1.00 0.00 H new ATOM 0 HG LEU A 51 2.236 1.514 4.167 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.903 1.965 1.776 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.002 2.746 2.937 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.494 1.244 2.119 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.687 -0.011 2.319 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.200 -0.899 2.623 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.928 -0.854 3.867 1.00 0.00 H new ATOM 764 N SER A 52 3.989 -0.227 8.387 1.00 0.00 N ATOM 765 CA SER A 52 4.730 -0.326 9.634 1.00 0.00 C ATOM 766 C SER A 52 5.518 -1.627 9.762 1.00 0.00 C ATOM 767 O SER A 52 6.445 -1.714 10.567 1.00 0.00 O ATOM 768 CB SER A 52 3.716 -0.213 10.769 1.00 0.00 C ATOM 769 OG SER A 52 2.652 -1.126 10.558 1.00 0.00 O ATOM 0 H SER A 52 2.980 -0.204 8.536 1.00 0.00 H new ATOM 0 HA SER A 52 5.470 0.473 9.668 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.201 -0.420 11.723 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.329 0.804 10.822 1.00 0.00 H new ATOM 0 HG SER A 52 2.006 -1.050 11.291 1.00 0.00 H new ATOM 774 N SER A 53 5.155 -2.649 8.992 1.00 0.00 N ATOM 775 CA SER A 53 5.795 -3.939 8.949 1.00 0.00 C ATOM 776 C SER A 53 6.635 -4.096 7.671 1.00 0.00 C ATOM 777 O SER A 53 7.323 -5.109 7.529 1.00 0.00 O ATOM 778 CB SER A 53 4.661 -4.965 9.119 1.00 0.00 C ATOM 779 OG SER A 53 4.357 -5.064 10.498 1.00 0.00 O ATOM 0 H SER A 53 4.364 -2.585 8.352 1.00 0.00 H new ATOM 0 HA SER A 53 6.526 -4.085 9.744 1.00 0.00 H new ATOM 0 HB2 SER A 53 3.780 -4.655 8.557 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.964 -5.935 8.726 1.00 0.00 H new ATOM 0 HG SER A 53 3.634 -5.713 10.628 1.00 0.00 H new ATOM 784 N VAL A 54 6.597 -3.132 6.733 1.00 0.00 N ATOM 785 CA VAL A 54 7.340 -3.238 5.489 1.00 0.00 C ATOM 786 C VAL A 54 8.758 -2.791 5.820 1.00 0.00 C ATOM 787 O VAL A 54 9.026 -1.598 5.968 1.00 0.00 O ATOM 788 CB VAL A 54 6.739 -2.421 4.322 1.00 0.00 C ATOM 789 CG1 VAL A 54 7.565 -2.715 3.053 1.00 0.00 C ATOM 790 CG2 VAL A 54 5.301 -2.808 4.026 1.00 0.00 C ATOM 0 H VAL A 54 6.055 -2.273 6.825 1.00 0.00 H new ATOM 0 HA VAL A 54 7.305 -4.264 5.123 1.00 0.00 H new ATOM 0 HB VAL A 54 6.764 -1.369 4.606 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.159 -2.149 2.215 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.602 -2.424 3.219 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.518 -3.780 2.827 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.925 -2.206 3.199 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.256 -3.863 3.756 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.688 -2.633 4.910 1.00 0.00 H new ATOM 800 N SER A 55 9.659 -3.748 5.994 1.00 0.00 N ATOM 801 CA SER A 55 11.004 -3.449 6.450 1.00 0.00 C ATOM 802 C SER A 55 12.012 -3.235 5.323 1.00 0.00 C ATOM 803 O SER A 55 12.967 -2.474 5.489 1.00 0.00 O ATOM 804 CB SER A 55 11.430 -4.571 7.371 1.00 0.00 C ATOM 805 OG SER A 55 10.581 -4.591 8.506 1.00 0.00 O ATOM 0 H SER A 55 9.480 -4.738 5.825 1.00 0.00 H new ATOM 0 HA SER A 55 10.986 -2.494 6.975 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.380 -5.526 6.848 1.00 0.00 H new ATOM 0 HB3 SER A 55 12.466 -4.431 7.679 1.00 0.00 H new ATOM 0 HG SER A 55 10.852 -5.318 9.105 1.00 0.00 H new ATOM 810 N TYR A 56 11.793 -3.859 4.168 1.00 0.00 N ATOM 811 CA TYR A 56 12.610 -3.714 2.975 1.00 0.00 C ATOM 812 C TYR A 56 11.668 -3.571 1.785 1.00 0.00 C ATOM 813 O TYR A 56 10.547 -4.081 1.846 1.00 0.00 O ATOM 814 CB TYR A 56 13.522 -4.941 2.828 1.00 0.00 C ATOM 815 CG TYR A 56 14.167 -5.020 1.462 1.00 0.00 C ATOM 816 CD1 TYR A 56 15.279 -4.210 1.167 1.00 0.00 C ATOM 817 CD2 TYR A 56 13.552 -5.779 0.447 1.00 0.00 C ATOM 818 CE1 TYR A 56 15.781 -4.157 -0.142 1.00 0.00 C ATOM 819 CE2 TYR A 56 14.060 -5.739 -0.864 1.00 0.00 C ATOM 820 CZ TYR A 56 15.173 -4.924 -1.160 1.00 0.00 C ATOM 821 OH TYR A 56 15.672 -4.905 -2.423 1.00 0.00 O ATOM 0 H TYR A 56 11.012 -4.502 4.037 1.00 0.00 H new ATOM 0 HA TYR A 56 13.251 -2.834 3.036 1.00 0.00 H new ATOM 0 HB2 TYR A 56 14.299 -4.907 3.592 1.00 0.00 H new ATOM 0 HB3 TYR A 56 12.941 -5.846 3.005 1.00 0.00 H new ATOM 0 HD1 TYR A 56 15.746 -3.629 1.948 1.00 0.00 H new ATOM 0 HD2 TYR A 56 12.692 -6.391 0.675 1.00 0.00 H new ATOM 0 HE1 TYR A 56 16.631 -3.531 -0.371 1.00 0.00 H new ATOM 0 HE2 TYR A 56 13.600 -6.330 -1.642 1.00 0.00 H new ATOM 0 HH TYR A 56 15.498 -5.767 -2.856 1.00 0.00 H new ATOM 830 N MET A 57 12.128 -2.894 0.728 1.00 0.00 N ATOM 831 CA MET A 57 11.426 -2.689 -0.525 1.00 0.00 C ATOM 832 C MET A 57 12.459 -2.627 -1.644 1.00 0.00 C ATOM 833 O MET A 57 13.432 -1.876 -1.532 1.00 0.00 O ATOM 834 CB MET A 57 10.618 -1.388 -0.422 1.00 0.00 C ATOM 835 CG MET A 57 9.800 -1.003 -1.656 1.00 0.00 C ATOM 836 SD MET A 57 8.963 0.588 -1.445 1.00 0.00 S ATOM 837 CE MET A 57 7.644 0.368 -2.647 1.00 0.00 C ATOM 0 H MET A 57 13.049 -2.455 0.732 1.00 0.00 H new ATOM 0 HA MET A 57 10.734 -3.503 -0.739 1.00 0.00 H new ATOM 0 HB2 MET A 57 9.939 -1.472 0.427 1.00 0.00 H new ATOM 0 HB3 MET A 57 11.307 -0.573 -0.199 1.00 0.00 H new ATOM 0 HG2 MET A 57 10.456 -0.955 -2.525 1.00 0.00 H new ATOM 0 HG3 MET A 57 9.060 -1.778 -1.857 1.00 0.00 H new ATOM 0 HE1 MET A 57 7.100 1.305 -2.766 1.00 0.00 H new ATOM 0 HE2 MET A 57 8.071 0.072 -3.605 1.00 0.00 H new ATOM 0 HE3 MET A 57 6.960 -0.407 -2.299 1.00 0.00 H new ATOM 845 N ASP A 58 12.238 -3.351 -2.739 1.00 0.00 N ATOM 846 CA ASP A 58 13.031 -3.223 -3.959 1.00 0.00 C ATOM 847 C ASP A 58 12.294 -2.325 -4.957 1.00 0.00 C ATOM 848 O ASP A 58 11.204 -1.816 -4.681 1.00 0.00 O ATOM 849 CB ASP A 58 13.352 -4.593 -4.590 1.00 0.00 C ATOM 850 CG ASP A 58 14.604 -4.526 -5.482 1.00 0.00 C ATOM 851 OD1 ASP A 58 15.267 -3.459 -5.520 1.00 0.00 O ATOM 852 OD2 ASP A 58 14.921 -5.521 -6.175 1.00 0.00 O ATOM 0 H ASP A 58 11.497 -4.049 -2.805 1.00 0.00 H new ATOM 0 HA ASP A 58 13.985 -2.767 -3.695 1.00 0.00 H new ATOM 0 HB2 ASP A 58 13.505 -5.330 -3.802 1.00 0.00 H new ATOM 0 HB3 ASP A 58 12.501 -4.930 -5.181 1.00 0.00 H new ATOM 856 N SER A 59 12.869 -2.111 -6.133 1.00 0.00 N ATOM 857 CA SER A 59 12.234 -1.401 -7.239 1.00 0.00 C ATOM 858 C SER A 59 11.021 -2.154 -7.814 1.00 0.00 C ATOM 859 O SER A 59 10.278 -1.593 -8.623 1.00 0.00 O ATOM 860 CB SER A 59 13.295 -1.112 -8.302 1.00 0.00 C ATOM 861 OG SER A 59 14.336 -0.379 -7.686 1.00 0.00 O ATOM 0 H SER A 59 13.812 -2.433 -6.351 1.00 0.00 H new ATOM 0 HA SER A 59 11.827 -0.461 -6.867 1.00 0.00 H new ATOM 0 HB2 SER A 59 13.679 -2.042 -8.721 1.00 0.00 H new ATOM 0 HB3 SER A 59 12.864 -0.544 -9.127 1.00 0.00 H new ATOM 0 HG SER A 59 15.032 -0.181 -8.347 1.00 0.00 H new ATOM 866 N ALA A 60 10.769 -3.390 -7.365 1.00 0.00 N ATOM 867 CA ALA A 60 9.541 -4.113 -7.645 1.00 0.00 C ATOM 868 C ALA A 60 8.373 -3.436 -6.933 1.00 0.00 C ATOM 869 O ALA A 60 7.288 -3.291 -7.498 1.00 0.00 O ATOM 870 CB ALA A 60 9.678 -5.555 -7.151 1.00 0.00 C ATOM 0 H ALA A 60 11.427 -3.916 -6.790 1.00 0.00 H new ATOM 0 HA ALA A 60 9.355 -4.112 -8.719 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.758 -6.100 -7.360 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.510 -6.038 -7.664 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.864 -5.556 -6.077 1.00 0.00 H new ATOM 876 N GLY A 61 8.584 -3.013 -5.687 1.00 0.00 N ATOM 877 CA GLY A 61 7.557 -2.538 -4.778 1.00 0.00 C ATOM 878 C GLY A 61 6.811 -1.349 -5.372 1.00 0.00 C ATOM 879 O GLY A 61 5.597 -1.237 -5.233 1.00 0.00 O ATOM 0 H GLY A 61 9.516 -2.994 -5.272 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.854 -3.343 -4.565 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.010 -2.251 -3.829 1.00 0.00 H new ATOM 883 N LEU A 62 7.523 -0.503 -6.116 1.00 0.00 N ATOM 884 CA LEU A 62 6.980 0.668 -6.802 1.00 0.00 C ATOM 885 C LEU A 62 5.922 0.177 -7.777 1.00 0.00 C ATOM 886 O LEU A 62 4.755 0.516 -7.634 1.00 0.00 O ATOM 887 CB LEU A 62 8.050 1.485 -7.571 1.00 0.00 C ATOM 888 CG LEU A 62 9.470 1.457 -6.993 1.00 0.00 C ATOM 889 CD1 LEU A 62 10.460 2.062 -7.985 1.00 0.00 C ATOM 890 CD2 LEU A 62 9.567 2.168 -5.640 1.00 0.00 C ATOM 0 H LEU A 62 8.526 -0.618 -6.262 1.00 0.00 H new ATOM 0 HA LEU A 62 6.568 1.341 -6.050 1.00 0.00 H new ATOM 0 HB2 LEU A 62 8.090 1.117 -8.596 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.720 2.523 -7.618 1.00 0.00 H new ATOM 0 HG LEU A 62 9.725 0.411 -6.822 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.463 2.035 -7.560 1.00 0.00 H new ATOM 0 HD12 LEU A 62 10.443 1.489 -8.912 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.182 3.095 -8.192 1.00 0.00 H new ATOM 0 HD21 LEU A 62 10.593 2.119 -5.276 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.273 3.211 -5.755 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.904 1.681 -4.925 1.00 0.00 H new ATOM 901 N GLY A 63 6.324 -0.694 -8.705 1.00 0.00 N ATOM 902 CA GLY A 63 5.504 -1.353 -9.718 1.00 0.00 C ATOM 903 C GLY A 63 4.442 -2.281 -9.133 1.00 0.00 C ATOM 904 O GLY A 63 3.609 -2.811 -9.863 1.00 0.00 O ATOM 0 H GLY A 63 7.302 -0.976 -8.771 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.015 -0.594 -10.329 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.151 -1.927 -10.381 1.00 0.00 H new ATOM 908 N THR A 64 4.440 -2.482 -7.818 1.00 0.00 N ATOM 909 CA THR A 64 3.431 -3.251 -7.116 1.00 0.00 C ATOM 910 C THR A 64 2.357 -2.325 -6.533 1.00 0.00 C ATOM 911 O THR A 64 1.261 -2.782 -6.228 1.00 0.00 O ATOM 912 CB THR A 64 4.142 -4.083 -6.025 1.00 0.00 C ATOM 913 OG1 THR A 64 5.298 -4.732 -6.528 1.00 0.00 O ATOM 914 CG2 THR A 64 3.279 -5.211 -5.464 1.00 0.00 C ATOM 0 H THR A 64 5.159 -2.103 -7.202 1.00 0.00 H new ATOM 0 HA THR A 64 2.915 -3.926 -7.798 1.00 0.00 H new ATOM 0 HB THR A 64 4.376 -3.350 -5.253 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.980 -4.063 -6.745 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.840 -5.754 -4.703 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.376 -4.792 -5.019 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.004 -5.893 -6.268 1.00 0.00 H new ATOM 922 N LEU A 65 2.627 -1.022 -6.429 1.00 0.00 N ATOM 923 CA LEU A 65 1.783 -0.052 -5.747 1.00 0.00 C ATOM 924 C LEU A 65 1.286 1.006 -6.719 1.00 0.00 C ATOM 925 O LEU A 65 0.110 1.360 -6.697 1.00 0.00 O ATOM 926 CB LEU A 65 2.594 0.606 -4.632 1.00 0.00 C ATOM 927 CG LEU A 65 3.008 -0.325 -3.475 1.00 0.00 C ATOM 928 CD1 LEU A 65 4.132 0.364 -2.696 1.00 0.00 C ATOM 929 CD2 LEU A 65 1.830 -0.645 -2.546 1.00 0.00 C ATOM 0 H LEU A 65 3.466 -0.605 -6.831 1.00 0.00 H new ATOM 0 HA LEU A 65 0.915 -0.562 -5.328 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.495 1.038 -5.068 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.012 1.431 -4.221 1.00 0.00 H new ATOM 0 HG LEU A 65 3.348 -1.276 -3.884 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.446 -0.274 -1.869 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.979 0.541 -3.359 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.773 1.316 -2.304 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.167 -1.304 -1.745 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.443 0.279 -2.117 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.042 -1.139 -3.115 1.00 0.00 H new ATOM 940 N VAL A 66 2.153 1.511 -7.596 1.00 0.00 N ATOM 941 CA VAL A 66 1.788 2.479 -8.619 1.00 0.00 C ATOM 942 C VAL A 66 0.803 1.853 -9.616 1.00 0.00 C ATOM 943 O VAL A 66 -0.047 2.560 -10.159 1.00 0.00 O ATOM 944 CB VAL A 66 3.081 3.047 -9.239 1.00 0.00 C ATOM 945 CG1 VAL A 66 3.813 2.078 -10.166 1.00 0.00 C ATOM 946 CG2 VAL A 66 2.808 4.364 -9.967 1.00 0.00 C ATOM 0 H VAL A 66 3.140 1.253 -7.613 1.00 0.00 H new ATOM 0 HA VAL A 66 1.249 3.328 -8.199 1.00 0.00 H new ATOM 0 HB VAL A 66 3.748 3.222 -8.395 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.710 2.557 -10.558 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.093 1.184 -9.610 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.159 1.801 -10.993 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.736 4.743 -10.395 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.083 4.196 -10.764 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.409 5.094 -9.262 1.00 0.00 H new ATOM 956 N VAL A 67 0.854 0.531 -9.805 1.00 0.00 N ATOM 957 CA VAL A 67 -0.142 -0.215 -10.563 1.00 0.00 C ATOM 958 C VAL A 67 -1.539 -0.015 -9.948 1.00 0.00 C ATOM 959 O VAL A 67 -2.513 0.240 -10.659 1.00 0.00 O ATOM 960 CB VAL A 67 0.327 -1.685 -10.708 1.00 0.00 C ATOM 961 CG1 VAL A 67 -0.161 -2.598 -9.597 1.00 0.00 C ATOM 962 CG2 VAL A 67 -0.114 -2.263 -12.057 1.00 0.00 C ATOM 0 H VAL A 67 1.600 -0.054 -9.429 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.239 0.163 -11.581 1.00 0.00 H new ATOM 0 HB VAL A 67 1.414 -1.649 -10.642 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.208 -3.609 -9.768 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.209 -2.234 -8.638 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.251 -2.607 -9.586 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.225 -3.296 -12.139 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.201 -2.231 -12.128 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.320 -1.674 -12.865 1.00 0.00 H new ATOM 972 N ILE A 68 -1.629 -0.068 -8.614 1.00 0.00 N ATOM 973 CA ILE A 68 -2.883 -0.016 -7.878 1.00 0.00 C ATOM 974 C ILE A 68 -3.531 1.366 -8.026 1.00 0.00 C ATOM 975 O ILE A 68 -4.750 1.470 -7.914 1.00 0.00 O ATOM 976 CB ILE A 68 -2.672 -0.444 -6.404 1.00 0.00 C ATOM 977 CG1 ILE A 68 -1.913 -1.789 -6.252 1.00 0.00 C ATOM 978 CG2 ILE A 68 -4.007 -0.523 -5.642 1.00 0.00 C ATOM 979 CD1 ILE A 68 -2.646 -3.043 -6.747 1.00 0.00 C ATOM 0 H ILE A 68 -0.811 -0.150 -8.010 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.584 -0.734 -8.303 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.047 0.336 -5.969 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.968 -1.711 -6.789 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.671 -1.928 -5.198 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.820 -0.826 -4.612 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -4.490 0.454 -5.651 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.658 -1.253 -6.123 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.017 -3.919 -6.588 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.578 -3.161 -6.195 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.864 -2.941 -7.810 1.00 0.00 H new ATOM 990 N LEU A 69 -2.763 2.417 -8.353 1.00 0.00 N ATOM 991 CA LEU A 69 -3.311 3.740 -8.646 1.00 0.00 C ATOM 992 C LEU A 69 -4.354 3.656 -9.762 1.00 0.00 C ATOM 993 O LEU A 69 -5.370 4.352 -9.706 1.00 0.00 O ATOM 994 CB LEU A 69 -2.180 4.698 -9.055 1.00 0.00 C ATOM 995 CG LEU A 69 -2.608 6.177 -9.118 1.00 0.00 C ATOM 996 CD1 LEU A 69 -2.876 6.754 -7.722 1.00 0.00 C ATOM 997 CD2 LEU A 69 -1.497 6.972 -9.807 1.00 0.00 C ATOM 0 H LEU A 69 -1.746 2.368 -8.420 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.796 4.121 -7.747 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.358 4.598 -8.346 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.798 4.398 -10.031 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.539 6.249 -9.680 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.175 7.798 -7.811 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.674 6.188 -7.241 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.970 6.686 -7.120 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.782 8.023 -9.861 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.573 6.875 -9.237 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.344 6.585 -10.814 1.00 0.00 H new ATOM 1008 N LYS A 70 -4.104 2.830 -10.785 1.00 0.00 N ATOM 1009 CA LYS A 70 -5.104 2.522 -11.795 1.00 0.00 C ATOM 1010 C LYS A 70 -6.167 1.644 -11.166 1.00 0.00 C ATOM 1011 O LYS A 70 -7.297 2.095 -11.091 1.00 0.00 O ATOM 1012 CB LYS A 70 -4.450 1.952 -13.057 1.00 0.00 C ATOM 1013 CG LYS A 70 -5.431 1.374 -14.087 1.00 0.00 C ATOM 1014 CD LYS A 70 -4.957 1.568 -15.535 1.00 0.00 C ATOM 1015 CE LYS A 70 -3.599 0.910 -15.818 1.00 0.00 C ATOM 1016 NZ LYS A 70 -3.008 1.347 -17.102 1.00 0.00 N ATOM 0 H LYS A 70 -3.208 2.364 -10.929 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.608 3.424 -12.143 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.867 2.740 -13.534 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.750 1.170 -12.764 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -5.568 0.310 -13.894 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.404 1.849 -13.961 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.703 1.154 -16.214 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.889 2.635 -15.749 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.910 1.146 -15.007 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.720 -0.173 -15.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.093 0.873 -17.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.650 1.099 -17.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.865 2.377 -17.086 1.00 0.00 H new ATOM 1026 N ASP A 71 -5.843 0.429 -10.723 1.00 0.00 N ATOM 1027 CA ASP A 71 -6.828 -0.562 -10.265 1.00 0.00 C ATOM 1028 C ASP A 71 -7.896 0.020 -9.331 1.00 0.00 C ATOM 1029 O ASP A 71 -9.081 -0.254 -9.531 1.00 0.00 O ATOM 1030 CB ASP A 71 -6.165 -1.790 -9.614 1.00 0.00 C ATOM 1031 CG ASP A 71 -6.164 -2.977 -10.569 1.00 0.00 C ATOM 1032 OD1 ASP A 71 -7.203 -3.665 -10.658 1.00 0.00 O ATOM 1033 OD2 ASP A 71 -5.167 -3.195 -11.291 1.00 0.00 O ATOM 0 H ASP A 71 -4.880 0.098 -10.670 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.337 -0.885 -11.173 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.142 -1.547 -9.328 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -6.697 -2.054 -8.700 1.00 0.00 H new ATOM 1037 N ALA A 72 -7.495 0.837 -8.351 1.00 0.00 N ATOM 1038 CA ALA A 72 -8.361 1.572 -7.453 1.00 0.00 C ATOM 1039 C ALA A 72 -9.257 2.535 -8.231 1.00 0.00 C ATOM 1040 O ALA A 72 -10.473 2.426 -8.107 1.00 0.00 O ATOM 1041 CB ALA A 72 -7.497 2.290 -6.412 1.00 0.00 C ATOM 0 H ALA A 72 -6.507 1.005 -8.162 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.029 0.886 -6.932 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.138 2.848 -5.729 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.920 1.556 -5.850 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.818 2.978 -6.915 1.00 0.00 H new ATOM 1047 N LYS A 73 -8.702 3.423 -9.066 1.00 0.00 N ATOM 1048 CA LYS A 73 -9.457 4.326 -9.939 1.00 0.00 C ATOM 1049 C LYS A 73 -10.501 3.565 -10.759 1.00 0.00 C ATOM 1050 O LYS A 73 -11.634 4.044 -10.844 1.00 0.00 O ATOM 1051 CB LYS A 73 -8.477 5.142 -10.814 1.00 0.00 C ATOM 1052 CG LYS A 73 -9.100 5.870 -12.019 1.00 0.00 C ATOM 1053 CD LYS A 73 -8.522 5.436 -13.382 1.00 0.00 C ATOM 1054 CE LYS A 73 -7.296 6.288 -13.712 1.00 0.00 C ATOM 1055 NZ LYS A 73 -7.078 6.432 -15.168 1.00 0.00 N ATOM 0 H LYS A 73 -7.692 3.535 -9.154 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.020 5.033 -9.329 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.985 5.881 -10.182 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.702 4.470 -11.181 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.176 5.695 -12.020 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -8.952 6.943 -11.898 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.248 4.381 -13.353 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.276 5.548 -14.161 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -7.414 7.276 -13.267 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -6.413 5.838 -13.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -6.235 7.018 -15.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -6.937 5.493 -15.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -7.908 6.887 -15.600 1.00 0.00 H new ATOM 1065 N ILE A 74 -10.163 2.398 -11.321 1.00 0.00 N ATOM 1066 CA ILE A 74 -11.103 1.585 -12.087 1.00 0.00 C ATOM 1067 C ILE A 74 -12.345 1.306 -11.224 1.00 0.00 C ATOM 1068 O ILE A 74 -13.467 1.494 -11.689 1.00 0.00 O ATOM 1069 CB ILE A 74 -10.458 0.270 -12.604 1.00 0.00 C ATOM 1070 CG1 ILE A 74 -9.129 0.476 -13.367 1.00 0.00 C ATOM 1071 CG2 ILE A 74 -11.445 -0.468 -13.519 1.00 0.00 C ATOM 1072 CD1 ILE A 74 -8.472 -0.813 -13.870 1.00 0.00 C ATOM 0 H ILE A 74 -9.229 1.995 -11.255 1.00 0.00 H new ATOM 0 HA ILE A 74 -11.400 2.141 -12.976 1.00 0.00 H new ATOM 0 HB ILE A 74 -10.225 -0.316 -11.715 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -9.313 1.130 -14.219 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -8.427 0.994 -12.713 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -10.988 -1.390 -13.879 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -12.350 -0.706 -12.961 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -11.699 0.167 -14.368 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -7.547 -0.570 -14.392 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -8.251 -1.463 -13.023 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -9.150 -1.325 -14.553 1.00 0.00 H new ATOM 1083 N ASN A 75 -12.163 0.891 -9.968 1.00 0.00 N ATOM 1084 CA ASN A 75 -13.269 0.553 -9.072 1.00 0.00 C ATOM 1085 C ASN A 75 -13.806 1.796 -8.345 1.00 0.00 C ATOM 1086 O ASN A 75 -14.782 1.731 -7.593 1.00 0.00 O ATOM 1087 CB ASN A 75 -12.829 -0.581 -8.134 1.00 0.00 C ATOM 1088 CG ASN A 75 -13.997 -1.448 -7.672 1.00 0.00 C ATOM 1089 OD1 ASN A 75 -14.750 -1.078 -6.786 1.00 0.00 O ATOM 1090 ND2 ASN A 75 -14.163 -2.630 -8.235 1.00 0.00 N ATOM 0 H ASN A 75 -11.242 0.780 -9.544 1.00 0.00 H new ATOM 0 HA ASN A 75 -14.117 0.184 -9.649 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -12.097 -1.207 -8.645 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -12.331 -0.154 -7.263 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -14.923 -3.238 -7.930 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -13.531 -2.935 -8.975 1.00 0.00 H new ATOM 1096 N GLY A 76 -13.215 2.964 -8.598 1.00 0.00 N ATOM 1097 CA GLY A 76 -13.573 4.230 -7.991 1.00 0.00 C ATOM 1098 C GLY A 76 -13.186 4.263 -6.516 1.00 0.00 C ATOM 1099 O GLY A 76 -13.995 4.673 -5.680 1.00 0.00 O ATOM 0 H GLY A 76 -12.443 3.049 -9.260 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -13.075 5.043 -8.519 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -14.646 4.394 -8.092 1.00 0.00 H new ATOM 1103 N LYS A 77 -12.009 3.740 -6.164 1.00 0.00 N ATOM 1104 CA LYS A 77 -11.504 3.747 -4.788 1.00 0.00 C ATOM 1105 C LYS A 77 -10.289 4.675 -4.702 1.00 0.00 C ATOM 1106 O LYS A 77 -9.582 4.873 -5.692 1.00 0.00 O ATOM 1107 CB LYS A 77 -11.192 2.309 -4.333 1.00 0.00 C ATOM 1108 CG LYS A 77 -12.309 1.284 -4.609 1.00 0.00 C ATOM 1109 CD LYS A 77 -13.620 1.507 -3.837 1.00 0.00 C ATOM 1110 CE LYS A 77 -14.647 0.482 -4.335 1.00 0.00 C ATOM 1111 NZ LYS A 77 -15.862 0.364 -3.504 1.00 0.00 N ATOM 0 H LYS A 77 -11.375 3.297 -6.829 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.261 4.133 -4.106 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -10.282 1.975 -4.831 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.984 2.319 -3.263 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -12.531 1.293 -5.676 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -11.932 0.289 -4.370 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -13.455 1.391 -2.766 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.987 2.521 -3.995 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -14.943 0.750 -5.349 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -14.166 -0.495 -4.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -16.629 -0.055 -4.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -15.664 -0.244 -2.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -16.150 1.307 -3.174 1.00 0.00 H new ATOM 1121 N GLU A 78 -10.040 5.239 -3.521 1.00 0.00 N ATOM 1122 CA GLU A 78 -8.920 6.138 -3.249 1.00 0.00 C ATOM 1123 C GLU A 78 -7.656 5.310 -2.953 1.00 0.00 C ATOM 1124 O GLU A 78 -7.703 4.074 -2.932 1.00 0.00 O ATOM 1125 CB GLU A 78 -9.283 7.034 -2.049 1.00 0.00 C ATOM 1126 CG GLU A 78 -8.616 8.416 -2.008 1.00 0.00 C ATOM 1127 CD GLU A 78 -9.260 9.404 -2.978 1.00 0.00 C ATOM 1128 OE1 GLU A 78 -10.387 9.871 -2.686 1.00 0.00 O ATOM 1129 OE2 GLU A 78 -8.637 9.720 -4.018 1.00 0.00 O ATOM 0 H GLU A 78 -10.629 5.078 -2.704 1.00 0.00 H new ATOM 0 HA GLU A 78 -8.720 6.769 -4.115 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -10.364 7.175 -2.041 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.025 6.502 -1.134 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.675 8.815 -0.995 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -7.558 8.313 -2.248 1.00 0.00 H new ATOM 1134 N PHE A 79 -6.526 5.963 -2.677 1.00 0.00 N ATOM 1135 CA PHE A 79 -5.279 5.308 -2.309 1.00 0.00 C ATOM 1136 C PHE A 79 -4.365 6.265 -1.547 1.00 0.00 C ATOM 1137 O PHE A 79 -4.144 7.392 -1.989 1.00 0.00 O ATOM 1138 CB PHE A 79 -4.623 4.804 -3.595 1.00 0.00 C ATOM 1139 CG PHE A 79 -3.142 4.518 -3.469 1.00 0.00 C ATOM 1140 CD1 PHE A 79 -2.710 3.278 -2.963 1.00 0.00 C ATOM 1141 CD2 PHE A 79 -2.204 5.530 -3.747 1.00 0.00 C ATOM 1142 CE1 PHE A 79 -1.344 3.063 -2.711 1.00 0.00 C ATOM 1143 CE2 PHE A 79 -0.844 5.325 -3.467 1.00 0.00 C ATOM 1144 CZ PHE A 79 -0.418 4.093 -2.945 1.00 0.00 C ATOM 0 H PHE A 79 -6.455 6.980 -2.705 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.471 4.469 -1.641 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -5.131 3.894 -3.915 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -4.772 5.546 -4.380 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -3.426 2.493 -2.769 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -2.531 6.465 -4.176 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -1.007 2.107 -2.338 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -0.128 6.112 -3.652 1.00 0.00 H new ATOM 0 HZ PHE A 79 0.627 3.937 -2.722 1.00 0.00 H new ATOM 1153 N ILE A 80 -3.876 5.826 -0.383 1.00 0.00 N ATOM 1154 CA ILE A 80 -2.987 6.525 0.549 1.00 0.00 C ATOM 1155 C ILE A 80 -2.089 5.439 1.153 1.00 0.00 C ATOM 1156 O ILE A 80 -2.491 4.274 1.218 1.00 0.00 O ATOM 1157 CB ILE A 80 -3.817 7.257 1.638 1.00 0.00 C ATOM 1158 CG1 ILE A 80 -4.768 8.305 1.014 1.00 0.00 C ATOM 1159 CG2 ILE A 80 -2.903 7.922 2.685 1.00 0.00 C ATOM 1160 CD1 ILE A 80 -5.851 8.805 1.971 1.00 0.00 C ATOM 0 H ILE A 80 -4.112 4.895 -0.040 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.390 7.292 0.055 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.423 6.503 2.141 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.180 9.156 0.670 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.245 7.871 0.135 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -3.514 8.426 3.434 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.291 7.161 3.169 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.257 8.650 2.194 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -6.478 9.537 1.461 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.465 7.965 2.296 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.383 9.270 2.839 1.00 0.00 H new ATOM 1171 N LEU A 81 -0.909 5.811 1.639 1.00 0.00 N ATOM 1172 CA LEU A 81 -0.032 4.982 2.446 1.00 0.00 C ATOM 1173 C LEU A 81 0.096 5.682 3.791 1.00 0.00 C ATOM 1174 O LEU A 81 0.129 6.910 3.836 1.00 0.00 O ATOM 1175 CB LEU A 81 1.375 4.898 1.834 1.00 0.00 C ATOM 1176 CG LEU A 81 1.504 4.475 0.361 1.00 0.00 C ATOM 1177 CD1 LEU A 81 2.994 4.444 -0.003 1.00 0.00 C ATOM 1178 CD2 LEU A 81 0.868 3.111 0.090 1.00 0.00 C ATOM 0 H LEU A 81 -0.525 6.741 1.471 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.440 3.974 2.519 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.843 5.876 1.941 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.957 4.198 2.433 1.00 0.00 H new ATOM 0 HG LEU A 81 0.969 5.198 -0.255 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.108 4.146 -1.045 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.424 5.435 0.140 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.510 3.729 0.637 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.985 2.858 -0.964 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.357 2.353 0.702 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.193 3.148 0.338 1.00 0.00 H new ATOM 1189 N SER A 82 0.266 4.933 4.869 1.00 0.00 N ATOM 1190 CA SER A 82 0.582 5.463 6.175 1.00 0.00 C ATOM 1191 C SER A 82 1.593 4.570 6.886 1.00 0.00 C ATOM 1192 O SER A 82 1.778 3.420 6.508 1.00 0.00 O ATOM 1193 CB SER A 82 -0.727 5.591 6.948 1.00 0.00 C ATOM 1194 OG SER A 82 -1.156 6.930 6.944 1.00 0.00 O ATOM 0 H SER A 82 0.185 3.916 4.854 1.00 0.00 H new ATOM 0 HA SER A 82 1.050 6.445 6.097 1.00 0.00 H new ATOM 0 HB2 SER A 82 -1.489 4.955 6.498 1.00 0.00 H new ATOM 0 HB3 SER A 82 -0.589 5.247 7.973 1.00 0.00 H new ATOM 0 HG SER A 82 -1.954 7.020 7.506 1.00 0.00 H new ATOM 1199 N SER A 83 2.226 5.096 7.931 1.00 0.00 N ATOM 1200 CA SER A 83 3.121 4.382 8.834 1.00 0.00 C ATOM 1201 C SER A 83 4.337 3.773 8.167 1.00 0.00 C ATOM 1202 O SER A 83 4.546 2.564 8.144 1.00 0.00 O ATOM 1203 CB SER A 83 2.311 3.324 9.599 1.00 0.00 C ATOM 1204 OG SER A 83 2.657 3.196 10.967 1.00 0.00 O ATOM 0 H SER A 83 2.123 6.079 8.182 1.00 0.00 H new ATOM 0 HA SER A 83 3.535 5.119 9.522 1.00 0.00 H new ATOM 0 HB2 SER A 83 1.252 3.573 9.527 1.00 0.00 H new ATOM 0 HB3 SER A 83 2.446 2.359 9.111 1.00 0.00 H new ATOM 0 HG SER A 83 2.098 2.507 11.383 1.00 0.00 H new ATOM 1209 N LEU A 84 5.187 4.626 7.627 1.00 0.00 N ATOM 1210 CA LEU A 84 6.327 4.139 6.873 1.00 0.00 C ATOM 1211 C LEU A 84 7.528 3.982 7.778 1.00 0.00 C ATOM 1212 O LEU A 84 7.700 4.725 8.746 1.00 0.00 O ATOM 1213 CB LEU A 84 6.588 5.101 5.732 1.00 0.00 C ATOM 1214 CG LEU A 84 5.549 4.922 4.614 1.00 0.00 C ATOM 1215 CD1 LEU A 84 6.074 3.957 3.545 1.00 0.00 C ATOM 1216 CD2 LEU A 84 4.084 4.657 4.921 1.00 0.00 C ATOM 0 H LEU A 84 5.113 5.641 7.694 1.00 0.00 H new ATOM 0 HA LEU A 84 6.121 3.153 6.457 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.557 6.126 6.101 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.589 4.935 5.333 1.00 0.00 H new ATOM 0 HG LEU A 84 5.467 5.952 4.266 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.326 3.841 2.761 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.993 4.356 3.115 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.277 2.987 3.999 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.528 4.563 3.988 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.993 3.733 5.492 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.679 5.484 5.503 1.00 0.00 H new ATOM 1227 N LYS A 85 8.381 3.018 7.438 1.00 0.00 N ATOM 1228 CA LYS A 85 9.705 2.961 8.029 1.00 0.00 C ATOM 1229 C LYS A 85 10.583 3.953 7.329 1.00 0.00 C ATOM 1230 O LYS A 85 10.453 4.180 6.126 1.00 0.00 O ATOM 1231 CB LYS A 85 10.338 1.576 7.953 1.00 0.00 C ATOM 1232 CG LYS A 85 9.454 0.568 8.667 1.00 0.00 C ATOM 1233 CD LYS A 85 10.287 -0.582 9.225 1.00 0.00 C ATOM 1234 CE LYS A 85 9.253 -1.555 9.750 1.00 0.00 C ATOM 1235 NZ LYS A 85 9.822 -2.623 10.588 1.00 0.00 N ATOM 0 H LYS A 85 8.178 2.278 6.766 1.00 0.00 H new ATOM 0 HA LYS A 85 9.603 3.198 9.088 1.00 0.00 H new ATOM 0 HB2 LYS A 85 10.471 1.283 6.912 1.00 0.00 H new ATOM 0 HB3 LYS A 85 11.328 1.593 8.409 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.915 1.059 9.477 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.706 0.180 7.976 1.00 0.00 H new ATOM 0 HD2 LYS A 85 10.909 -1.037 8.454 1.00 0.00 H new ATOM 0 HD3 LYS A 85 10.956 -0.244 10.016 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.511 -1.006 10.330 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.729 -2.006 8.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 9.097 -2.969 11.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 10.141 -3.406 9.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 10.630 -2.249 11.125 1.00 0.00 H new ATOM 1245 N GLU A 86 11.592 4.389 8.062 1.00 0.00 N ATOM 1246 CA GLU A 86 12.534 5.394 7.588 1.00 0.00 C ATOM 1247 C GLU A 86 13.272 4.887 6.344 1.00 0.00 C ATOM 1248 O GLU A 86 13.585 5.652 5.430 1.00 0.00 O ATOM 1249 CB GLU A 86 13.482 5.717 8.745 1.00 0.00 C ATOM 1250 CG GLU A 86 14.249 7.020 8.530 1.00 0.00 C ATOM 1251 CD GLU A 86 15.110 7.340 9.749 1.00 0.00 C ATOM 1252 OE1 GLU A 86 16.145 6.665 9.946 1.00 0.00 O ATOM 1253 OE2 GLU A 86 14.775 8.248 10.541 1.00 0.00 O ATOM 0 H GLU A 86 11.784 4.056 9.007 1.00 0.00 H new ATOM 0 HA GLU A 86 12.022 6.307 7.284 1.00 0.00 H new ATOM 0 HB2 GLU A 86 12.910 5.785 9.670 1.00 0.00 H new ATOM 0 HB3 GLU A 86 14.191 4.898 8.868 1.00 0.00 H new ATOM 0 HG2 GLU A 86 14.879 6.936 7.644 1.00 0.00 H new ATOM 0 HG3 GLU A 86 13.549 7.835 8.348 1.00 0.00 H new ATOM 1258 N SER A 87 13.486 3.570 6.272 1.00 0.00 N ATOM 1259 CA SER A 87 14.180 2.960 5.147 1.00 0.00 C ATOM 1260 C SER A 87 13.299 2.847 3.907 1.00 0.00 C ATOM 1261 O SER A 87 13.841 2.720 2.817 1.00 0.00 O ATOM 1262 CB SER A 87 14.712 1.581 5.530 1.00 0.00 C ATOM 1263 OG SER A 87 15.556 1.670 6.665 1.00 0.00 O ATOM 0 H SER A 87 13.185 2.907 6.986 1.00 0.00 H new ATOM 0 HA SER A 87 15.012 3.618 4.899 1.00 0.00 H new ATOM 0 HB2 SER A 87 13.880 0.910 5.741 1.00 0.00 H new ATOM 0 HB3 SER A 87 15.263 1.152 4.693 1.00 0.00 H new ATOM 0 HG SER A 87 15.887 0.777 6.898 1.00 0.00 H new ATOM 1268 N ILE A 88 11.974 2.918 4.034 1.00 0.00 N ATOM 1269 CA ILE A 88 11.059 2.810 2.910 1.00 0.00 C ATOM 1270 C ILE A 88 10.678 4.221 2.493 1.00 0.00 C ATOM 1271 O ILE A 88 10.594 4.535 1.309 1.00 0.00 O ATOM 1272 CB ILE A 88 9.837 1.961 3.295 1.00 0.00 C ATOM 1273 CG1 ILE A 88 10.202 0.566 3.855 1.00 0.00 C ATOM 1274 CG2 ILE A 88 8.935 1.808 2.064 1.00 0.00 C ATOM 1275 CD1 ILE A 88 11.240 -0.222 3.057 1.00 0.00 C ATOM 0 H ILE A 88 11.507 3.053 4.930 1.00 0.00 H new ATOM 0 HA ILE A 88 11.527 2.303 2.066 1.00 0.00 H new ATOM 0 HB ILE A 88 9.321 2.484 4.100 1.00 0.00 H new ATOM 0 HG12 ILE A 88 10.572 0.690 4.873 1.00 0.00 H new ATOM 0 HG13 ILE A 88 9.291 -0.029 3.917 1.00 0.00 H new ATOM 0 HG21 ILE A 88 8.064 1.207 2.324 1.00 0.00 H new ATOM 0 HG22 ILE A 88 8.610 2.792 1.727 1.00 0.00 H new ATOM 0 HG23 ILE A 88 9.490 1.316 1.265 1.00 0.00 H new ATOM 0 HD11 ILE A 88 11.418 -1.182 3.541 1.00 0.00 H new ATOM 0 HD12 ILE A 88 10.871 -0.388 2.045 1.00 0.00 H new ATOM 0 HD13 ILE A 88 12.172 0.342 3.016 1.00 0.00 H new ATOM 1286 N SER A 89 10.500 5.102 3.470 1.00 0.00 N ATOM 1287 CA SER A 89 10.122 6.470 3.222 1.00 0.00 C ATOM 1288 C SER A 89 11.227 7.147 2.373 1.00 0.00 C ATOM 1289 O SER A 89 10.947 7.682 1.293 1.00 0.00 O ATOM 1290 CB SER A 89 9.783 7.140 4.562 1.00 0.00 C ATOM 1291 OG SER A 89 8.759 8.103 4.410 1.00 0.00 O ATOM 0 H SER A 89 10.617 4.877 4.458 1.00 0.00 H new ATOM 0 HA SER A 89 9.215 6.562 2.625 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.469 6.383 5.281 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.675 7.616 4.969 1.00 0.00 H new ATOM 0 HG SER A 89 8.563 8.512 5.279 1.00 0.00 H new ATOM 1296 N ARG A 90 12.514 6.967 2.736 1.00 0.00 N ATOM 1297 CA ARG A 90 13.646 7.390 1.894 1.00 0.00 C ATOM 1298 C ARG A 90 13.594 6.765 0.505 1.00 0.00 C ATOM 1299 O ARG A 90 13.987 7.419 -0.446 1.00 0.00 O ATOM 1300 CB ARG A 90 15.002 7.086 2.549 1.00 0.00 C ATOM 1301 CG ARG A 90 15.479 5.647 2.309 1.00 0.00 C ATOM 1302 CD ARG A 90 16.564 5.212 3.268 1.00 0.00 C ATOM 1303 NE ARG A 90 17.927 5.613 2.863 1.00 0.00 N ATOM 1304 CZ ARG A 90 18.894 6.039 3.688 1.00 0.00 C ATOM 1305 NH1 ARG A 90 18.670 6.088 4.995 1.00 0.00 N ATOM 1306 NH2 ARG A 90 20.079 6.417 3.218 1.00 0.00 N ATOM 0 H ARG A 90 12.793 6.528 3.613 1.00 0.00 H new ATOM 0 HA ARG A 90 13.549 8.471 1.789 1.00 0.00 H new ATOM 0 HB2 ARG A 90 15.749 7.779 2.162 1.00 0.00 H new ATOM 0 HB3 ARG A 90 14.928 7.264 3.622 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.630 4.970 2.400 1.00 0.00 H new ATOM 0 HG3 ARG A 90 15.849 5.559 1.288 1.00 0.00 H new ATOM 0 HD2 ARG A 90 16.352 5.629 4.252 1.00 0.00 H new ATOM 0 HD3 ARG A 90 16.531 4.127 3.368 1.00 0.00 H new ATOM 0 HE ARG A 90 18.152 5.561 1.869 1.00 0.00 H new ATOM 0 HH11 ARG A 90 17.765 5.802 5.368 1.00 0.00 H new ATOM 0 HH12 ARG A 90 19.403 6.411 5.626 1.00 0.00 H new ATOM 0 HH21 ARG A 90 20.264 6.386 2.215 1.00 0.00 H new ATOM 0 HH22 ARG A 90 20.803 6.738 3.860 1.00 0.00 H new ATOM 1317 N ILE A 91 13.195 5.502 0.375 1.00 0.00 N ATOM 1318 CA ILE A 91 13.235 4.756 -0.869 1.00 0.00 C ATOM 1319 C ILE A 91 12.249 5.412 -1.835 1.00 0.00 C ATOM 1320 O ILE A 91 12.589 5.672 -2.994 1.00 0.00 O ATOM 1321 CB ILE A 91 12.917 3.271 -0.551 1.00 0.00 C ATOM 1322 CG1 ILE A 91 14.213 2.468 -0.349 1.00 0.00 C ATOM 1323 CG2 ILE A 91 11.986 2.609 -1.575 1.00 0.00 C ATOM 1324 CD1 ILE A 91 13.940 1.063 0.207 1.00 0.00 C ATOM 0 H ILE A 91 12.826 4.960 1.156 1.00 0.00 H new ATOM 0 HA ILE A 91 14.214 4.771 -1.349 1.00 0.00 H new ATOM 0 HB ILE A 91 12.360 3.267 0.386 1.00 0.00 H new ATOM 0 HG12 ILE A 91 14.740 2.385 -1.300 1.00 0.00 H new ATOM 0 HG13 ILE A 91 14.870 3.006 0.334 1.00 0.00 H new ATOM 0 HG21 ILE A 91 11.808 1.573 -1.288 1.00 0.00 H new ATOM 0 HG22 ILE A 91 11.038 3.145 -1.605 1.00 0.00 H new ATOM 0 HG23 ILE A 91 12.450 2.638 -2.561 1.00 0.00 H new ATOM 0 HD11 ILE A 91 14.884 0.532 0.334 1.00 0.00 H new ATOM 0 HD12 ILE A 91 13.437 1.144 1.171 1.00 0.00 H new ATOM 0 HD13 ILE A 91 13.305 0.514 -0.488 1.00 0.00 H new ATOM 1335 N LEU A 92 11.033 5.708 -1.360 1.00 0.00 N ATOM 1336 CA LEU A 92 10.027 6.397 -2.138 1.00 0.00 C ATOM 1337 C LEU A 92 10.561 7.782 -2.485 1.00 0.00 C ATOM 1338 O LEU A 92 10.462 8.192 -3.631 1.00 0.00 O ATOM 1339 CB LEU A 92 8.695 6.505 -1.375 1.00 0.00 C ATOM 1340 CG LEU A 92 8.092 5.169 -0.889 1.00 0.00 C ATOM 1341 CD1 LEU A 92 7.072 5.424 0.222 1.00 0.00 C ATOM 1342 CD2 LEU A 92 7.426 4.387 -2.021 1.00 0.00 C ATOM 0 H LEU A 92 10.729 5.469 -0.416 1.00 0.00 H new ATOM 0 HA LEU A 92 9.824 5.831 -3.047 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.844 7.151 -0.510 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.967 6.998 -2.019 1.00 0.00 H new ATOM 0 HG LEU A 92 8.917 4.567 -0.508 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.654 4.475 0.557 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.563 5.920 1.060 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.272 6.060 -0.158 1.00 0.00 H new ATOM 0 HD21 LEU A 92 7.018 3.456 -1.629 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.621 4.983 -2.451 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.164 4.163 -2.792 1.00 0.00 H new ATOM 1353 N LYS A 93 11.172 8.506 -1.546 1.00 0.00 N ATOM 1354 CA LYS A 93 11.730 9.832 -1.775 1.00 0.00 C ATOM 1355 C LYS A 93 12.792 9.803 -2.881 1.00 0.00 C ATOM 1356 O LYS A 93 12.670 10.516 -3.878 1.00 0.00 O ATOM 1357 CB LYS A 93 12.212 10.332 -0.404 1.00 0.00 C ATOM 1358 CG LYS A 93 13.068 11.580 -0.500 1.00 0.00 C ATOM 1359 CD LYS A 93 12.896 12.516 0.706 1.00 0.00 C ATOM 1360 CE LYS A 93 13.788 13.753 0.534 1.00 0.00 C ATOM 1361 NZ LYS A 93 13.379 14.879 1.402 1.00 0.00 N ATOM 0 H LYS A 93 11.293 8.177 -0.588 1.00 0.00 H new ATOM 0 HA LYS A 93 10.998 10.542 -2.161 1.00 0.00 H new ATOM 0 HB2 LYS A 93 11.347 10.538 0.227 1.00 0.00 H new ATOM 0 HB3 LYS A 93 12.783 9.543 0.085 1.00 0.00 H new ATOM 0 HG2 LYS A 93 14.116 11.291 -0.583 1.00 0.00 H new ATOM 0 HG3 LYS A 93 12.814 12.120 -1.412 1.00 0.00 H new ATOM 0 HD2 LYS A 93 11.853 12.818 0.798 1.00 0.00 H new ATOM 0 HD3 LYS A 93 13.158 11.992 1.625 1.00 0.00 H new ATOM 0 HE2 LYS A 93 14.821 13.485 0.757 1.00 0.00 H new ATOM 0 HE3 LYS A 93 13.760 14.074 -0.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 14.015 15.687 1.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 12.403 15.157 1.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 13.431 14.586 2.398 1.00 0.00 H new ATOM 1371 N LEU A 94 13.783 8.928 -2.738 1.00 0.00 N ATOM 1372 CA LEU A 94 14.850 8.640 -3.687 1.00 0.00 C ATOM 1373 C LEU A 94 14.266 8.399 -5.067 1.00 0.00 C ATOM 1374 O LEU A 94 14.586 9.123 -6.006 1.00 0.00 O ATOM 1375 CB LEU A 94 15.637 7.406 -3.201 1.00 0.00 C ATOM 1376 CG LEU A 94 16.664 7.724 -2.103 1.00 0.00 C ATOM 1377 CD1 LEU A 94 17.200 6.416 -1.521 1.00 0.00 C ATOM 1378 CD2 LEU A 94 17.820 8.574 -2.634 1.00 0.00 C ATOM 0 H LEU A 94 13.866 8.361 -1.894 1.00 0.00 H new ATOM 0 HA LEU A 94 15.528 9.491 -3.751 1.00 0.00 H new ATOM 0 HB2 LEU A 94 14.934 6.662 -2.825 1.00 0.00 H new ATOM 0 HB3 LEU A 94 16.153 6.957 -4.050 1.00 0.00 H new ATOM 0 HG LEU A 94 16.164 8.303 -1.326 1.00 0.00 H new ATOM 0 HD11 LEU A 94 17.929 6.636 -0.741 1.00 0.00 H new ATOM 0 HD12 LEU A 94 16.376 5.842 -1.096 1.00 0.00 H new ATOM 0 HD13 LEU A 94 17.677 5.835 -2.310 1.00 0.00 H new ATOM 0 HD21 LEU A 94 18.524 8.776 -1.826 1.00 0.00 H new ATOM 0 HD22 LEU A 94 18.330 8.036 -3.433 1.00 0.00 H new ATOM 0 HD23 LEU A 94 17.431 9.516 -3.021 1.00 0.00 H new ATOM 1389 N THR A 95 13.358 7.430 -5.180 1.00 0.00 N ATOM 1390 CA THR A 95 12.743 7.031 -6.444 1.00 0.00 C ATOM 1391 C THR A 95 11.557 7.932 -6.828 1.00 0.00 C ATOM 1392 O THR A 95 10.739 7.591 -7.684 1.00 0.00 O ATOM 1393 CB THR A 95 12.425 5.518 -6.421 1.00 0.00 C ATOM 1394 OG1 THR A 95 13.266 4.804 -5.520 1.00 0.00 O ATOM 1395 CG2 THR A 95 12.661 4.918 -7.808 1.00 0.00 C ATOM 0 H THR A 95 13.024 6.891 -4.381 1.00 0.00 H new ATOM 0 HA THR A 95 13.457 7.185 -7.253 1.00 0.00 H new ATOM 0 HB THR A 95 11.386 5.425 -6.105 1.00 0.00 H new ATOM 0 HG1 THR A 95 12.963 4.955 -4.600 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.436 3.852 -7.786 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.013 5.411 -8.533 1.00 0.00 H new ATOM 0 HG23 THR A 95 13.703 5.063 -8.095 1.00 0.00 H new ATOM 1403 N HIS A 96 11.471 9.098 -6.182 1.00 0.00 N ATOM 1404 CA HIS A 96 10.503 10.176 -6.340 1.00 0.00 C ATOM 1405 C HIS A 96 9.067 9.777 -6.093 1.00 0.00 C ATOM 1406 O HIS A 96 8.196 10.620 -6.202 1.00 0.00 O ATOM 1407 CB HIS A 96 10.638 10.865 -7.710 1.00 0.00 C ATOM 1408 CG HIS A 96 12.067 11.107 -8.156 1.00 0.00 C ATOM 1409 ND1 HIS A 96 13.172 11.328 -7.343 1.00 0.00 N ATOM 1410 CD2 HIS A 96 12.512 10.999 -9.444 1.00 0.00 C ATOM 1411 CE1 HIS A 96 14.267 11.308 -8.129 1.00 0.00 C ATOM 1412 NE2 HIS A 96 13.888 11.121 -9.409 1.00 0.00 N ATOM 0 H HIS A 96 12.153 9.330 -5.460 1.00 0.00 H new ATOM 0 HA HIS A 96 10.756 10.885 -5.552 1.00 0.00 H new ATOM 0 HB2 HIS A 96 10.135 10.255 -8.460 1.00 0.00 H new ATOM 0 HB3 HIS A 96 10.115 11.821 -7.675 1.00 0.00 H new ATOM 0 HD2 HIS A 96 11.903 10.847 -10.323 1.00 0.00 H new ATOM 0 HE1 HIS A 96 15.285 11.423 -7.788 1.00 0.00 H new ATOM 0 HE2 HIS A 96 14.511 11.077 -10.215 1.00 0.00 H new ATOM 1420 N LEU A 97 8.782 8.558 -5.675 1.00 0.00 N ATOM 1421 CA LEU A 97 7.439 8.132 -5.382 1.00 0.00 C ATOM 1422 C LEU A 97 6.783 8.993 -4.332 1.00 0.00 C ATOM 1423 O LEU A 97 5.594 9.242 -4.419 1.00 0.00 O ATOM 1424 CB LEU A 97 7.456 6.691 -4.899 1.00 0.00 C ATOM 1425 CG LEU A 97 6.983 5.798 -6.045 1.00 0.00 C ATOM 1426 CD1 LEU A 97 8.088 5.625 -7.084 1.00 0.00 C ATOM 1427 CD2 LEU A 97 6.495 4.492 -5.451 1.00 0.00 C ATOM 0 H LEU A 97 9.486 7.835 -5.530 1.00 0.00 H new ATOM 0 HA LEU A 97 6.861 8.224 -6.302 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.461 6.407 -4.585 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.806 6.573 -4.032 1.00 0.00 H new ATOM 0 HG LEU A 97 6.152 6.254 -6.584 1.00 0.00 H new ATOM 0 HD11 LEU A 97 7.731 4.986 -7.892 1.00 0.00 H new ATOM 0 HD12 LEU A 97 8.364 6.599 -7.487 1.00 0.00 H new ATOM 0 HD13 LEU A 97 8.959 5.166 -6.616 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.151 3.835 -6.250 1.00 0.00 H new ATOM 0 HD22 LEU A 97 7.310 4.011 -4.911 1.00 0.00 H new ATOM 0 HD23 LEU A 97 5.672 4.690 -4.764 1.00 0.00 H new ATOM 1438 N ASP A 98 7.530 9.461 -3.342 1.00 0.00 N ATOM 1439 CA ASP A 98 6.947 10.206 -2.236 1.00 0.00 C ATOM 1440 C ASP A 98 6.385 11.554 -2.696 1.00 0.00 C ATOM 1441 O ASP A 98 5.473 12.093 -2.070 1.00 0.00 O ATOM 1442 CB ASP A 98 8.036 10.393 -1.182 1.00 0.00 C ATOM 1443 CG ASP A 98 7.656 11.389 -0.092 1.00 0.00 C ATOM 1444 OD1 ASP A 98 6.638 11.187 0.602 1.00 0.00 O ATOM 1445 OD2 ASP A 98 8.355 12.423 0.011 1.00 0.00 O ATOM 0 H ASP A 98 8.541 9.338 -3.282 1.00 0.00 H new ATOM 0 HA ASP A 98 6.106 9.653 -1.819 1.00 0.00 H new ATOM 0 HB2 ASP A 98 8.257 9.429 -0.723 1.00 0.00 H new ATOM 0 HB3 ASP A 98 8.950 10.731 -1.670 1.00 0.00 H new ATOM 1449 N LYS A 99 6.864 12.086 -3.828 1.00 0.00 N ATOM 1450 CA LYS A 99 6.289 13.272 -4.423 1.00 0.00 C ATOM 1451 C LYS A 99 5.098 12.980 -5.340 1.00 0.00 C ATOM 1452 O LYS A 99 4.602 13.919 -5.957 1.00 0.00 O ATOM 1453 CB LYS A 99 7.357 14.134 -5.098 1.00 0.00 C ATOM 1454 CG LYS A 99 8.013 13.490 -6.310 1.00 0.00 C ATOM 1455 CD LYS A 99 8.347 14.480 -7.426 1.00 0.00 C ATOM 1456 CE LYS A 99 7.083 14.760 -8.253 1.00 0.00 C ATOM 1457 NZ LYS A 99 7.103 16.070 -8.929 1.00 0.00 N ATOM 0 H LYS A 99 7.655 11.701 -4.344 1.00 0.00 H new ATOM 0 HA LYS A 99 5.874 13.856 -3.602 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.905 15.077 -5.404 1.00 0.00 H new ATOM 0 HB3 LYS A 99 8.129 14.373 -4.367 1.00 0.00 H new ATOM 0 HG2 LYS A 99 8.928 12.990 -5.994 1.00 0.00 H new ATOM 0 HG3 LYS A 99 7.350 12.721 -6.705 1.00 0.00 H new ATOM 0 HD2 LYS A 99 8.731 15.408 -7.002 1.00 0.00 H new ATOM 0 HD3 LYS A 99 9.131 14.074 -8.065 1.00 0.00 H new ATOM 0 HE2 LYS A 99 6.966 13.976 -9.001 1.00 0.00 H new ATOM 0 HE3 LYS A 99 6.212 14.710 -7.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 6.223 16.196 -9.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 7.185 16.826 -8.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 7.915 16.114 -9.577 1.00 0.00 H new ATOM 1467 N ILE A 100 4.653 11.725 -5.497 1.00 0.00 N ATOM 1468 CA ILE A 100 3.526 11.419 -6.379 1.00 0.00 C ATOM 1469 C ILE A 100 2.485 10.534 -5.688 1.00 0.00 C ATOM 1470 O ILE A 100 1.308 10.574 -6.047 1.00 0.00 O ATOM 1471 CB ILE A 100 4.034 10.829 -7.714 1.00 0.00 C ATOM 1472 CG1 ILE A 100 5.196 9.835 -7.558 1.00 0.00 C ATOM 1473 CG2 ILE A 100 4.514 11.951 -8.649 1.00 0.00 C ATOM 1474 CD1 ILE A 100 5.624 9.102 -8.835 1.00 0.00 C ATOM 0 H ILE A 100 5.055 10.914 -5.027 1.00 0.00 H new ATOM 0 HA ILE A 100 3.007 12.348 -6.614 1.00 0.00 H new ATOM 0 HB ILE A 100 3.180 10.292 -8.127 1.00 0.00 H new ATOM 0 HG12 ILE A 100 6.058 10.373 -7.164 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.916 9.092 -6.812 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.868 11.518 -9.585 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.688 12.632 -8.854 1.00 0.00 H new ATOM 0 HG23 ILE A 100 5.326 12.499 -8.172 1.00 0.00 H new ATOM 0 HD11 ILE A 100 6.450 8.428 -8.608 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.783 8.528 -9.224 1.00 0.00 H new ATOM 0 HD13 ILE A 100 5.944 9.829 -9.582 1.00 0.00 H new ATOM 1485 N PHE A 101 2.893 9.763 -4.689 1.00 0.00 N ATOM 1486 CA PHE A 101 2.058 9.002 -3.781 1.00 0.00 C ATOM 1487 C PHE A 101 1.553 9.920 -2.662 1.00 0.00 C ATOM 1488 O PHE A 101 1.823 11.121 -2.655 1.00 0.00 O ATOM 1489 CB PHE A 101 2.925 7.866 -3.217 1.00 0.00 C ATOM 1490 CG PHE A 101 3.057 6.639 -4.093 1.00 0.00 C ATOM 1491 CD1 PHE A 101 3.434 6.706 -5.444 1.00 0.00 C ATOM 1492 CD2 PHE A 101 2.806 5.384 -3.532 1.00 0.00 C ATOM 1493 CE1 PHE A 101 3.476 5.559 -6.242 1.00 0.00 C ATOM 1494 CE2 PHE A 101 2.896 4.225 -4.292 1.00 0.00 C ATOM 1495 CZ PHE A 101 3.200 4.326 -5.648 1.00 0.00 C ATOM 0 H PHE A 101 3.885 9.648 -4.481 1.00 0.00 H new ATOM 0 HA PHE A 101 1.186 8.588 -4.287 1.00 0.00 H new ATOM 0 HB2 PHE A 101 3.923 8.259 -3.022 1.00 0.00 H new ATOM 0 HB3 PHE A 101 2.510 7.560 -2.257 1.00 0.00 H new ATOM 0 HD1 PHE A 101 3.696 7.661 -5.874 1.00 0.00 H new ATOM 0 HD2 PHE A 101 2.537 5.314 -2.488 1.00 0.00 H new ATOM 0 HE1 PHE A 101 3.716 5.625 -7.293 1.00 0.00 H new ATOM 0 HE2 PHE A 101 2.733 3.259 -3.838 1.00 0.00 H new ATOM 0 HZ PHE A 101 3.223 3.431 -6.253 1.00 0.00 H new ATOM 1504 N LYS A 102 0.850 9.339 -1.688 1.00 0.00 N ATOM 1505 CA LYS A 102 0.437 9.998 -0.461 1.00 0.00 C ATOM 1506 C LYS A 102 0.921 9.163 0.696 1.00 0.00 C ATOM 1507 O LYS A 102 0.709 7.951 0.685 1.00 0.00 O ATOM 1508 CB LYS A 102 -1.081 10.189 -0.497 1.00 0.00 C ATOM 1509 CG LYS A 102 -1.621 10.994 0.688 1.00 0.00 C ATOM 1510 CD LYS A 102 -2.899 11.737 0.290 1.00 0.00 C ATOM 1511 CE LYS A 102 -3.723 12.012 1.543 1.00 0.00 C ATOM 1512 NZ LYS A 102 -4.740 13.056 1.319 1.00 0.00 N ATOM 0 H LYS A 102 0.546 8.367 -1.739 1.00 0.00 H new ATOM 0 HA LYS A 102 0.872 10.991 -0.348 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -1.354 10.693 -1.424 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -1.562 9.211 -0.512 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -1.826 10.327 1.526 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -0.868 11.707 1.025 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -2.650 12.673 -0.210 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -3.476 11.141 -0.417 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -4.212 11.092 1.864 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -3.060 12.319 2.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -5.277 13.211 2.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -4.272 13.941 1.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -5.389 12.753 0.565 1.00 0.00 H new ATOM 1522 N ILE A 103 1.619 9.807 1.625 1.00 0.00 N ATOM 1523 CA ILE A 103 2.263 9.188 2.766 1.00 0.00 C ATOM 1524 C ILE A 103 1.876 9.987 4.015 1.00 0.00 C ATOM 1525 O ILE A 103 2.276 11.148 4.155 1.00 0.00 O ATOM 1526 CB ILE A 103 3.808 9.072 2.610 1.00 0.00 C ATOM 1527 CG1 ILE A 103 4.338 8.151 1.482 1.00 0.00 C ATOM 1528 CG2 ILE A 103 4.414 8.542 3.927 1.00 0.00 C ATOM 1529 CD1 ILE A 103 4.206 8.681 0.052 1.00 0.00 C ATOM 0 H ILE A 103 1.754 10.818 1.598 1.00 0.00 H new ATOM 0 HA ILE A 103 1.915 8.158 2.851 1.00 0.00 H new ATOM 0 HB ILE A 103 4.110 10.085 2.345 1.00 0.00 H new ATOM 0 HG12 ILE A 103 5.391 7.946 1.675 1.00 0.00 H new ATOM 0 HG13 ILE A 103 3.812 7.198 1.543 1.00 0.00 H new ATOM 0 HG21 ILE A 103 5.496 8.459 3.822 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.180 9.231 4.739 1.00 0.00 H new ATOM 0 HG23 ILE A 103 3.995 7.561 4.151 1.00 0.00 H new ATOM 0 HD11 ILE A 103 4.611 7.949 -0.646 1.00 0.00 H new ATOM 0 HD12 ILE A 103 3.155 8.856 -0.175 1.00 0.00 H new ATOM 0 HD13 ILE A 103 4.758 9.616 -0.042 1.00 0.00 H new ATOM 1540 N THR A 104 1.155 9.350 4.929 1.00 0.00 N ATOM 1541 CA THR A 104 0.738 9.879 6.223 1.00 0.00 C ATOM 1542 C THR A 104 1.346 9.043 7.366 1.00 0.00 C ATOM 1543 O THR A 104 2.127 8.109 7.146 1.00 0.00 O ATOM 1544 CB THR A 104 -0.793 10.056 6.231 1.00 0.00 C ATOM 1545 OG1 THR A 104 -1.482 9.081 5.474 1.00 0.00 O ATOM 1546 CG2 THR A 104 -1.170 11.367 5.541 1.00 0.00 C ATOM 0 H THR A 104 0.827 8.396 4.779 1.00 0.00 H new ATOM 0 HA THR A 104 1.134 10.879 6.400 1.00 0.00 H new ATOM 0 HB THR A 104 -1.068 10.000 7.284 1.00 0.00 H new ATOM 0 HG1 THR A 104 -1.484 8.230 5.960 1.00 0.00 H new ATOM 0 HG21 THR A 104 -2.254 11.485 5.551 1.00 0.00 H new ATOM 0 HG22 THR A 104 -0.709 12.202 6.069 1.00 0.00 H new ATOM 0 HG23 THR A 104 -0.816 11.351 4.510 1.00 0.00 H new ATOM 1554 N ASP A 105 1.078 9.425 8.611 1.00 0.00 N ATOM 1555 CA ASP A 105 1.743 8.898 9.803 1.00 0.00 C ATOM 1556 C ASP A 105 0.933 7.783 10.432 1.00 0.00 C ATOM 1557 O ASP A 105 1.475 6.767 10.865 1.00 0.00 O ATOM 1558 CB ASP A 105 1.882 10.015 10.848 1.00 0.00 C ATOM 1559 CG ASP A 105 3.301 10.558 10.994 1.00 0.00 C ATOM 1560 OD1 ASP A 105 4.156 10.354 10.102 1.00 0.00 O ATOM 1561 OD2 ASP A 105 3.546 11.239 12.017 1.00 0.00 O ATOM 0 H ASP A 105 0.373 10.129 8.827 1.00 0.00 H new ATOM 0 HA ASP A 105 2.718 8.517 9.498 1.00 0.00 H new ATOM 0 HB2 ASP A 105 1.217 10.835 10.578 1.00 0.00 H new ATOM 0 HB3 ASP A 105 1.548 9.638 11.814 1.00 0.00 H new ATOM 1565 N THR A 106 -0.376 7.993 10.508 1.00 0.00 N ATOM 1566 CA THR A 106 -1.327 7.057 11.070 1.00 0.00 C ATOM 1567 C THR A 106 -2.312 6.744 9.961 1.00 0.00 C ATOM 1568 O THR A 106 -2.577 7.573 9.082 1.00 0.00 O ATOM 1569 CB THR A 106 -2.022 7.661 12.302 1.00 0.00 C ATOM 1570 OG1 THR A 106 -2.551 8.936 12.002 1.00 0.00 O ATOM 1571 CG2 THR A 106 -1.076 7.807 13.492 1.00 0.00 C ATOM 0 H THR A 106 -0.813 8.849 10.167 1.00 0.00 H new ATOM 0 HA THR A 106 -0.840 6.146 11.419 1.00 0.00 H new ATOM 0 HB THR A 106 -2.820 6.968 12.570 1.00 0.00 H new ATOM 0 HG1 THR A 106 -2.991 9.303 12.797 1.00 0.00 H new ATOM 0 HG21 THR A 106 -1.616 8.238 14.335 1.00 0.00 H new ATOM 0 HG22 THR A 106 -0.689 6.827 13.771 1.00 0.00 H new ATOM 0 HG23 THR A 106 -0.247 8.460 13.220 1.00 0.00 H new ATOM 1579 N VAL A 107 -2.905 5.562 9.999 1.00 0.00 N ATOM 1580 CA VAL A 107 -4.021 5.226 9.127 1.00 0.00 C ATOM 1581 C VAL A 107 -5.247 6.087 9.434 1.00 0.00 C ATOM 1582 O VAL A 107 -6.180 6.182 8.639 1.00 0.00 O ATOM 1583 CB VAL A 107 -4.311 3.726 9.260 1.00 0.00 C ATOM 1584 CG1 VAL A 107 -3.119 2.979 8.677 1.00 0.00 C ATOM 1585 CG2 VAL A 107 -4.518 3.265 10.712 1.00 0.00 C ATOM 0 H VAL A 107 -2.629 4.811 10.632 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.759 5.441 8.091 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.242 3.517 8.732 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.289 1.905 8.754 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.995 3.252 7.629 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.218 3.244 9.230 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.719 2.194 10.729 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.619 3.475 11.292 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -5.363 3.799 11.146 1.00 0.00 H new ATOM 1595 N GLU A 108 -5.241 6.736 10.592 1.00 0.00 N ATOM 1596 CA GLU A 108 -6.267 7.669 10.992 1.00 0.00 C ATOM 1597 C GLU A 108 -6.118 9.023 10.297 1.00 0.00 C ATOM 1598 O GLU A 108 -7.143 9.604 9.938 1.00 0.00 O ATOM 1599 CB GLU A 108 -6.291 7.780 12.514 1.00 0.00 C ATOM 1600 CG GLU A 108 -7.069 6.593 13.098 1.00 0.00 C ATOM 1601 CD GLU A 108 -8.568 6.651 12.779 1.00 0.00 C ATOM 1602 OE1 GLU A 108 -9.327 7.363 13.477 1.00 0.00 O ATOM 1603 OE2 GLU A 108 -9.014 6.061 11.771 1.00 0.00 O ATOM 0 H GLU A 108 -4.504 6.620 11.288 1.00 0.00 H new ATOM 0 HA GLU A 108 -7.235 7.288 10.667 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -5.274 7.790 12.905 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -6.758 8.718 12.814 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -6.654 5.664 12.706 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -6.933 6.572 14.179 1.00 0.00 H new ATOM 1608 N GLU A 109 -4.897 9.512 10.029 1.00 0.00 N ATOM 1609 CA GLU A 109 -4.758 10.814 9.377 1.00 0.00 C ATOM 1610 C GLU A 109 -5.214 10.743 7.920 1.00 0.00 C ATOM 1611 O GLU A 109 -5.653 11.751 7.358 1.00 0.00 O ATOM 1612 CB GLU A 109 -3.318 11.373 9.437 1.00 0.00 C ATOM 1613 CG GLU A 109 -3.397 12.904 9.572 1.00 0.00 C ATOM 1614 CD GLU A 109 -2.320 13.638 8.793 1.00 0.00 C ATOM 1615 OE1 GLU A 109 -1.209 13.828 9.339 1.00 0.00 O ATOM 1616 OE2 GLU A 109 -2.599 14.066 7.646 1.00 0.00 O ATOM 0 H GLU A 109 -4.020 9.040 10.247 1.00 0.00 H new ATOM 0 HA GLU A 109 -5.398 11.498 9.935 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.780 10.945 10.283 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.767 11.099 8.537 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -4.375 13.241 9.229 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -3.319 13.172 10.626 1.00 0.00 H new ATOM 1621 N ALA A 110 -5.082 9.564 7.309 1.00 0.00 N ATOM 1622 CA ALA A 110 -5.376 9.301 5.914 1.00 0.00 C ATOM 1623 C ALA A 110 -6.839 9.596 5.619 1.00 0.00 C ATOM 1624 O ALA A 110 -7.116 10.467 4.775 1.00 0.00 O ATOM 1625 CB ALA A 110 -5.034 7.847 5.607 1.00 0.00 C ATOM 0 H ALA A 110 -4.752 8.735 7.802 1.00 0.00 H new ATOM 0 HA ALA A 110 -4.776 9.950 5.277 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -5.251 7.636 4.560 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.975 7.673 5.801 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.631 7.191 6.241 1.00 0.00 H new