USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 638 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 25 THR OG1 : rot 180:sc= -0.433 USER MOD Set 1.2: A 68 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 30 CYS SG : rot -16:sc= -1.02 USER MOD Set 2.2: A 80 CYS SG : rot 118:sc= 0.546 USER MOD Single : A 9 ASN : amide:sc= -1.27 X(o=-1.3,f=-1.5) USER MOD Single : A 10 CYS SG : rot 16:sc= 0.483 USER MOD Single : A 12 THR OG1 : rot -153:sc= -0.913 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.216 K(o=-0.22,f=0.69) USER MOD Single : A 19 GLN : amide:sc= -2.27! C(o=-2.3!,f=-7.5!) USER MOD Single : A 23 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0663) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0536 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 117:sc= 0.341 USER MOD Single : A 34 HIS : no HD1:sc= -2.14! K(o=-2.1!,f=-1.1) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 14:sc= 0.243 USER MOD Single : A 53 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0592) USER MOD Single : A 54 HIS : no HD1:sc= -0.479 X(o=-0.48,f=-0.41) USER MOD Single : A 55 GLN : amide:sc= -0.0621 K(o=-0.062,f=-0.59) USER MOD Single : A 57 SER OG : rot 25:sc= 0.754 USER MOD Single : A 58 GLN : amide:sc= -2.22! K(o=-2.2!,f=-1.6) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 70:sc= -1.24 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 100:sc= -1.35 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot -29:sc= 0.612 USER MOD Single : A 79 THR OG1 : rot 170:sc= -0.382 USER MOD Single : A 84 GLN : amide:sc= -1.05 K(o=-1.1,f=-3.5!) USER MOD Single : A 86 GLN : amide:sc= -9.23! C(o=-9.2!,f=-7.5!) USER MOD Single : A 87 SER OG : rot 129:sc= -1.02 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD ----------------------------------------------------------------- ATOM 76 N ASN A 9 8.263 18.610 -0.823 1.00 0.00 N ATOM 77 CA ASN A 9 7.114 18.047 -0.123 1.00 0.00 C ATOM 78 C ASN A 9 7.560 17.049 0.941 1.00 0.00 C ATOM 79 O ASN A 9 8.697 16.577 0.926 1.00 0.00 O ATOM 80 CB ASN A 9 6.170 17.364 -1.116 1.00 0.00 C ATOM 81 CG ASN A 9 5.119 18.312 -1.660 1.00 0.00 C ATOM 82 OD1 ASN A 9 5.392 19.489 -1.897 1.00 0.00 O ATOM 83 ND2 ASN A 9 3.909 17.802 -1.860 1.00 0.00 N ATOM 0 HA ASN A 9 6.585 18.863 0.369 1.00 0.00 H new ATOM 0 HB2 ASN A 9 6.751 16.956 -1.943 1.00 0.00 H new ATOM 0 HB3 ASN A 9 5.679 16.523 -0.626 1.00 0.00 H new ATOM 0 HD21 ASN A 9 3.161 18.392 -2.224 1.00 0.00 H new ATOM 0 HD22 ASN A 9 3.728 16.821 -1.649 1.00 0.00 H new ATOM 90 N CYS A 10 6.657 16.731 1.861 1.00 0.00 N ATOM 91 CA CYS A 10 6.957 15.788 2.934 1.00 0.00 C ATOM 92 C CYS A 10 5.678 15.160 3.479 1.00 0.00 C ATOM 93 O CYS A 10 4.584 15.695 3.295 1.00 0.00 O ATOM 94 CB CYS A 10 7.715 16.491 4.061 1.00 0.00 C ATOM 95 SG CYS A 10 9.405 16.966 3.628 1.00 0.00 S ATOM 0 H CYS A 10 5.711 17.112 1.886 1.00 0.00 H new ATOM 0 HA CYS A 10 7.583 14.995 2.524 1.00 0.00 H new ATOM 0 HB2 CYS A 10 7.162 17.383 4.355 1.00 0.00 H new ATOM 0 HB3 CYS A 10 7.745 15.834 4.930 1.00 0.00 H new ATOM 0 HG CYS A 10 9.551 16.922 2.337 1.00 0.00 H new ATOM 101 N PHE A 11 5.823 14.022 4.149 1.00 0.00 N ATOM 102 CA PHE A 11 4.680 13.319 4.719 1.00 0.00 C ATOM 103 C PHE A 11 4.499 13.679 6.191 1.00 0.00 C ATOM 104 O PHE A 11 5.295 13.282 7.042 1.00 0.00 O ATOM 105 CB PHE A 11 4.858 11.807 4.570 1.00 0.00 C ATOM 106 CG PHE A 11 4.627 11.311 3.172 1.00 0.00 C ATOM 107 CD1 PHE A 11 5.551 11.566 2.171 1.00 0.00 C ATOM 108 CD2 PHE A 11 3.487 10.589 2.858 1.00 0.00 C ATOM 109 CE1 PHE A 11 5.341 11.111 0.882 1.00 0.00 C ATOM 110 CE2 PHE A 11 3.273 10.130 1.572 1.00 0.00 C ATOM 111 CZ PHE A 11 4.200 10.393 0.583 1.00 0.00 C ATOM 0 H PHE A 11 6.721 13.567 4.311 1.00 0.00 H new ATOM 0 HA PHE A 11 3.787 13.628 4.175 1.00 0.00 H new ATOM 0 HB2 PHE A 11 5.867 11.536 4.881 1.00 0.00 H new ATOM 0 HB3 PHE A 11 4.169 11.300 5.245 1.00 0.00 H new ATOM 0 HD1 PHE A 11 6.445 12.126 2.400 1.00 0.00 H new ATOM 0 HD2 PHE A 11 2.757 10.382 3.627 1.00 0.00 H new ATOM 0 HE1 PHE A 11 6.068 11.317 0.111 1.00 0.00 H new ATOM 0 HE2 PHE A 11 2.381 9.566 1.341 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.033 10.038 -0.423 1.00 0.00 H new ATOM 121 N THR A 12 3.445 14.435 6.484 1.00 0.00 N ATOM 122 CA THR A 12 3.159 14.851 7.851 1.00 0.00 C ATOM 123 C THR A 12 2.699 13.671 8.700 1.00 0.00 C ATOM 124 O THR A 12 2.945 13.629 9.905 1.00 0.00 O ATOM 125 CB THR A 12 2.080 15.949 7.890 1.00 0.00 C ATOM 126 OG1 THR A 12 0.908 15.508 7.196 1.00 0.00 O ATOM 127 CG2 THR A 12 2.593 17.236 7.263 1.00 0.00 C ATOM 0 H THR A 12 2.775 14.772 5.792 1.00 0.00 H new ATOM 0 HA THR A 12 4.087 15.250 8.261 1.00 0.00 H new ATOM 0 HB THR A 12 1.832 16.147 8.933 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.421 16.285 6.849 1.00 0.00 H new ATOM 0 HG21 THR A 12 1.813 17.996 7.303 1.00 0.00 H new ATOM 0 HG22 THR A 12 3.468 17.585 7.812 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.867 17.051 6.224 1.00 0.00 H new ATOM 135 N GLU A 13 2.032 12.714 8.062 1.00 0.00 N ATOM 136 CA GLU A 13 1.538 11.533 8.761 1.00 0.00 C ATOM 137 C GLU A 13 1.837 10.266 7.965 1.00 0.00 C ATOM 138 O GLU A 13 1.120 9.929 7.024 1.00 0.00 O ATOM 139 CB GLU A 13 0.032 11.652 9.006 1.00 0.00 C ATOM 140 CG GLU A 13 -0.319 12.310 10.330 1.00 0.00 C ATOM 141 CD GLU A 13 -1.793 12.192 10.667 1.00 0.00 C ATOM 142 OE1 GLU A 13 -2.337 11.073 10.562 1.00 0.00 O ATOM 143 OE2 GLU A 13 -2.401 13.218 11.037 1.00 0.00 O ATOM 0 H GLU A 13 1.822 12.733 7.064 1.00 0.00 H new ATOM 0 HA GLU A 13 2.051 11.468 9.721 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.415 12.226 8.195 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.412 10.657 8.975 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.270 11.853 11.126 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.042 13.363 10.293 1.00 0.00 H new ATOM 150 N GLU A 14 2.901 9.569 8.352 1.00 0.00 N ATOM 151 CA GLU A 14 3.295 8.340 7.673 1.00 0.00 C ATOM 152 C GLU A 14 2.176 7.303 7.731 1.00 0.00 C ATOM 153 O GLU A 14 1.233 7.435 8.512 1.00 0.00 O ATOM 154 CB GLU A 14 4.567 7.769 8.304 1.00 0.00 C ATOM 155 CG GLU A 14 5.846 8.282 7.664 1.00 0.00 C ATOM 156 CD GLU A 14 6.237 7.493 6.429 1.00 0.00 C ATOM 157 OE1 GLU A 14 6.458 6.270 6.551 1.00 0.00 O ATOM 158 OE2 GLU A 14 6.323 8.099 5.340 1.00 0.00 O ATOM 0 H GLU A 14 3.504 9.834 9.131 1.00 0.00 H new ATOM 0 HA GLU A 14 3.491 8.579 6.628 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.578 8.015 9.366 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.544 6.682 8.229 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.718 9.331 7.395 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.656 8.236 8.392 1.00 0.00 H new ATOM 165 N LEU A 15 2.289 6.273 6.900 1.00 0.00 N ATOM 166 CA LEU A 15 1.287 5.214 6.855 1.00 0.00 C ATOM 167 C LEU A 15 1.325 4.375 8.129 1.00 0.00 C ATOM 168 O LEU A 15 2.228 4.518 8.954 1.00 0.00 O ATOM 169 CB LEU A 15 1.516 4.320 5.635 1.00 0.00 C ATOM 170 CG LEU A 15 1.216 4.951 4.275 1.00 0.00 C ATOM 171 CD1 LEU A 15 2.055 4.298 3.187 1.00 0.00 C ATOM 172 CD2 LEU A 15 -0.266 4.836 3.949 1.00 0.00 C ATOM 0 H LEU A 15 3.064 6.149 6.249 1.00 0.00 H new ATOM 0 HA LEU A 15 0.304 5.680 6.777 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.556 3.992 5.640 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.900 3.427 5.743 1.00 0.00 H new ATOM 0 HG LEU A 15 1.477 6.008 4.321 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.828 4.760 2.226 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.113 4.432 3.413 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.826 3.233 3.141 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.461 5.290 2.978 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.552 3.785 3.922 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.848 5.351 4.714 1.00 0.00 H new ATOM 184 N THR A 16 0.338 3.497 8.282 1.00 0.00 N ATOM 185 CA THR A 16 0.259 2.634 9.454 1.00 0.00 C ATOM 186 C THR A 16 -0.048 1.194 9.057 1.00 0.00 C ATOM 187 O THR A 16 -1.003 0.932 8.327 1.00 0.00 O ATOM 188 CB THR A 16 -0.819 3.123 10.440 1.00 0.00 C ATOM 189 OG1 THR A 16 -0.780 2.339 11.638 1.00 0.00 O ATOM 190 CG2 THR A 16 -2.203 3.036 9.816 1.00 0.00 C ATOM 0 H THR A 16 -0.417 3.365 7.609 1.00 0.00 H new ATOM 0 HA THR A 16 1.233 2.674 9.942 1.00 0.00 H new ATOM 0 HB THR A 16 -0.612 4.165 10.682 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.467 2.658 12.260 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.947 3.387 10.531 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.238 3.658 8.921 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.417 2.001 9.548 1.00 0.00 H new ATOM 198 N ASN A 17 0.767 0.265 9.543 1.00 0.00 N ATOM 199 CA ASN A 17 0.582 -1.150 9.239 1.00 0.00 C ATOM 200 C ASN A 17 -0.887 -1.544 9.360 1.00 0.00 C ATOM 201 O ASN A 17 -1.516 -1.327 10.396 1.00 0.00 O ATOM 202 CB ASN A 17 1.432 -2.010 10.176 1.00 0.00 C ATOM 203 CG ASN A 17 1.528 -1.424 11.571 1.00 0.00 C ATOM 204 OD1 ASN A 17 0.519 -1.254 12.255 1.00 0.00 O ATOM 205 ND2 ASN A 17 2.746 -1.112 12.000 1.00 0.00 N ATOM 0 H ASN A 17 1.562 0.466 10.149 1.00 0.00 H new ATOM 0 HA ASN A 17 0.902 -1.321 8.211 1.00 0.00 H new ATOM 0 HB2 ASN A 17 1.004 -3.011 10.234 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.434 -2.115 9.759 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.873 -0.714 12.931 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.555 -1.270 11.399 1.00 0.00 H new ATOM 212 N LEU A 18 -1.427 -2.126 8.295 1.00 0.00 N ATOM 213 CA LEU A 18 -2.822 -2.552 8.281 1.00 0.00 C ATOM 214 C LEU A 18 -2.928 -4.070 8.381 1.00 0.00 C ATOM 215 O LEU A 18 -2.088 -4.796 7.849 1.00 0.00 O ATOM 216 CB LEU A 18 -3.513 -2.063 7.007 1.00 0.00 C ATOM 217 CG LEU A 18 -3.543 -0.549 6.798 1.00 0.00 C ATOM 218 CD1 LEU A 18 -4.027 -0.213 5.396 1.00 0.00 C ATOM 219 CD2 LEU A 18 -4.426 0.116 7.844 1.00 0.00 C ATOM 0 H LEU A 18 -0.920 -2.314 7.430 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.319 -2.114 9.146 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.016 -2.518 6.150 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.540 -2.429 7.011 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.529 -0.165 6.911 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.042 0.869 5.266 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.354 -0.658 4.663 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.032 -0.609 5.253 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.436 1.194 7.680 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.441 -0.273 7.763 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.034 -0.096 8.839 1.00 0.00 H new ATOM 231 N GLN A 19 -3.967 -4.542 9.062 1.00 0.00 N ATOM 232 CA GLN A 19 -4.183 -5.975 9.229 1.00 0.00 C ATOM 233 C GLN A 19 -5.632 -6.345 8.928 1.00 0.00 C ATOM 234 O GLN A 19 -6.547 -5.955 9.653 1.00 0.00 O ATOM 235 CB GLN A 19 -3.820 -6.404 10.652 1.00 0.00 C ATOM 236 CG GLN A 19 -4.207 -7.839 10.972 1.00 0.00 C ATOM 237 CD GLN A 19 -4.100 -8.157 12.450 1.00 0.00 C ATOM 238 OE1 GLN A 19 -3.001 -8.304 12.987 1.00 0.00 O ATOM 239 NE2 GLN A 19 -5.243 -8.264 13.117 1.00 0.00 N ATOM 0 H GLN A 19 -4.672 -3.954 9.507 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.539 -6.499 8.523 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -2.746 -6.285 10.796 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -4.312 -5.737 11.360 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -5.229 -8.018 10.639 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -3.565 -8.518 10.411 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -6.131 -8.134 12.632 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -5.233 -8.476 14.115 1.00 0.00 H new ATOM 248 N VAL A 20 -5.833 -7.101 7.853 1.00 0.00 N ATOM 249 CA VAL A 20 -7.170 -7.525 7.456 1.00 0.00 C ATOM 250 C VAL A 20 -7.159 -8.955 6.928 1.00 0.00 C ATOM 251 O VAL A 20 -6.178 -9.399 6.332 1.00 0.00 O ATOM 252 CB VAL A 20 -7.756 -6.596 6.376 1.00 0.00 C ATOM 253 CG1 VAL A 20 -9.243 -6.858 6.196 1.00 0.00 C ATOM 254 CG2 VAL A 20 -7.502 -5.139 6.733 1.00 0.00 C ATOM 0 H VAL A 20 -5.087 -7.432 7.242 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.795 -7.474 8.347 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.258 -6.807 5.430 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.640 -6.192 5.429 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -9.396 -7.894 5.892 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.761 -6.676 7.138 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.922 -4.496 5.960 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.973 -4.911 7.689 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.429 -4.964 6.806 1.00 0.00 H new ATOM 264 N GLU A 21 -8.256 -9.671 7.151 1.00 0.00 N ATOM 265 CA GLU A 21 -8.372 -11.052 6.698 1.00 0.00 C ATOM 266 C GLU A 21 -8.441 -11.121 5.175 1.00 0.00 C ATOM 267 O GLU A 21 -9.186 -10.373 4.543 1.00 0.00 O ATOM 268 CB GLU A 21 -9.613 -11.710 7.306 1.00 0.00 C ATOM 269 CG GLU A 21 -9.641 -11.670 8.825 1.00 0.00 C ATOM 270 CD GLU A 21 -10.065 -10.319 9.366 1.00 0.00 C ATOM 271 OE1 GLU A 21 -11.283 -10.103 9.536 1.00 0.00 O ATOM 272 OE2 GLU A 21 -9.178 -9.477 9.620 1.00 0.00 O ATOM 0 H GLU A 21 -9.077 -9.318 7.643 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.485 -11.591 7.029 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.503 -11.212 6.921 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.661 -12.748 6.977 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.325 -12.435 9.192 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.651 -11.917 9.209 1.00 0.00 H new ATOM 279 N GLU A 22 -7.657 -12.024 4.594 1.00 0.00 N ATOM 280 CA GLU A 22 -7.628 -12.190 3.145 1.00 0.00 C ATOM 281 C GLU A 22 -9.023 -12.020 2.550 1.00 0.00 C ATOM 282 O GLU A 22 -10.030 -12.214 3.232 1.00 0.00 O ATOM 283 CB GLU A 22 -7.070 -13.566 2.778 1.00 0.00 C ATOM 284 CG GLU A 22 -7.953 -14.720 3.222 1.00 0.00 C ATOM 285 CD GLU A 22 -7.317 -16.073 2.968 1.00 0.00 C ATOM 286 OE1 GLU A 22 -6.168 -16.281 3.413 1.00 0.00 O ATOM 287 OE2 GLU A 22 -7.966 -16.923 2.324 1.00 0.00 O ATOM 0 H GLU A 22 -7.034 -12.651 5.103 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.978 -11.420 2.730 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.935 -13.618 1.698 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.084 -13.680 3.228 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.170 -14.618 4.285 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.906 -14.666 2.696 1.00 0.00 H new ATOM 294 N LYS A 23 -9.075 -11.655 1.274 1.00 0.00 N ATOM 295 CA LYS A 23 -10.345 -11.458 0.584 1.00 0.00 C ATOM 296 C LYS A 23 -11.148 -10.336 1.233 1.00 0.00 C ATOM 297 O LYS A 23 -12.378 -10.334 1.190 1.00 0.00 O ATOM 298 CB LYS A 23 -11.159 -12.754 0.594 1.00 0.00 C ATOM 299 CG LYS A 23 -10.593 -13.835 -0.310 1.00 0.00 C ATOM 300 CD LYS A 23 -11.007 -13.627 -1.757 1.00 0.00 C ATOM 301 CE LYS A 23 -12.412 -14.150 -2.015 1.00 0.00 C ATOM 302 NZ LYS A 23 -12.448 -15.638 -2.072 1.00 0.00 N ATOM 0 H LYS A 23 -8.251 -11.489 0.695 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.131 -11.178 -0.447 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -11.208 -13.134 1.614 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -12.181 -12.533 0.286 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -9.505 -13.837 -0.239 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -10.937 -14.812 0.031 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.962 -12.565 -2.000 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.302 -14.135 -2.415 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.080 -13.800 -1.228 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.785 -13.741 -2.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -13.367 -15.949 -2.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.687 -15.980 -2.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.315 -16.025 -1.116 1.00 0.00 H new ATOM 316 N GLY A 24 -10.444 -9.380 1.832 1.00 0.00 N ATOM 317 CA GLY A 24 -11.109 -8.264 2.479 1.00 0.00 C ATOM 318 C GLY A 24 -10.849 -6.947 1.776 1.00 0.00 C ATOM 319 O GLY A 24 -11.055 -6.828 0.567 1.00 0.00 O ATOM 0 H GLY A 24 -9.425 -9.359 1.881 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.182 -8.452 2.507 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.771 -8.193 3.513 1.00 0.00 H new ATOM 323 N THR A 25 -10.397 -5.952 2.533 1.00 0.00 N ATOM 324 CA THR A 25 -10.111 -4.636 1.975 1.00 0.00 C ATOM 325 C THR A 25 -9.117 -3.875 2.844 1.00 0.00 C ATOM 326 O THR A 25 -9.196 -3.911 4.072 1.00 0.00 O ATOM 327 CB THR A 25 -11.395 -3.797 1.829 1.00 0.00 C ATOM 328 OG1 THR A 25 -12.499 -4.646 1.496 1.00 0.00 O ATOM 329 CG2 THR A 25 -11.226 -2.731 0.757 1.00 0.00 C ATOM 0 H THR A 25 -10.221 -6.033 3.534 1.00 0.00 H new ATOM 0 HA THR A 25 -9.677 -4.798 0.988 1.00 0.00 H new ATOM 0 HB THR A 25 -11.591 -3.304 2.781 1.00 0.00 H new ATOM 0 HG1 THR A 25 -13.312 -4.106 1.406 1.00 0.00 H new ATOM 0 HG21 THR A 25 -12.145 -2.151 0.672 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.404 -2.069 1.028 1.00 0.00 H new ATOM 0 HG23 THR A 25 -11.008 -3.208 -0.199 1.00 0.00 H new ATOM 337 N ALA A 26 -8.182 -3.185 2.200 1.00 0.00 N ATOM 338 CA ALA A 26 -7.173 -2.412 2.914 1.00 0.00 C ATOM 339 C ALA A 26 -6.877 -1.100 2.197 1.00 0.00 C ATOM 340 O ALA A 26 -6.446 -1.095 1.043 1.00 0.00 O ATOM 341 CB ALA A 26 -5.899 -3.228 3.074 1.00 0.00 C ATOM 0 H ALA A 26 -8.102 -3.145 1.184 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.566 -2.174 3.903 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.154 -2.639 3.609 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.116 -4.135 3.637 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.512 -3.495 2.091 1.00 0.00 H new ATOM 347 N VAL A 27 -7.110 0.012 2.886 1.00 0.00 N ATOM 348 CA VAL A 27 -6.868 1.331 2.315 1.00 0.00 C ATOM 349 C VAL A 27 -5.746 2.053 3.054 1.00 0.00 C ATOM 350 O VAL A 27 -5.930 2.525 4.175 1.00 0.00 O ATOM 351 CB VAL A 27 -8.137 2.203 2.355 1.00 0.00 C ATOM 352 CG1 VAL A 27 -8.849 2.048 3.691 1.00 0.00 C ATOM 353 CG2 VAL A 27 -7.791 3.660 2.092 1.00 0.00 C ATOM 0 H VAL A 27 -7.467 0.026 3.842 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.575 1.176 1.277 1.00 0.00 H new ATOM 0 HB VAL A 27 -8.813 1.867 1.569 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.743 2.671 3.701 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -9.132 1.005 3.834 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -8.183 2.356 4.496 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -8.700 4.261 2.124 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.096 4.012 2.854 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.329 3.753 1.109 1.00 0.00 H new ATOM 363 N PHE A 28 -4.582 2.134 2.417 1.00 0.00 N ATOM 364 CA PHE A 28 -3.429 2.798 3.014 1.00 0.00 C ATOM 365 C PHE A 28 -3.648 4.306 3.089 1.00 0.00 C ATOM 366 O PHE A 28 -3.448 5.024 2.109 1.00 0.00 O ATOM 367 CB PHE A 28 -2.165 2.494 2.207 1.00 0.00 C ATOM 368 CG PHE A 28 -1.479 1.224 2.623 1.00 0.00 C ATOM 369 CD1 PHE A 28 -1.072 1.039 3.934 1.00 0.00 C ATOM 370 CD2 PHE A 28 -1.240 0.217 1.702 1.00 0.00 C ATOM 371 CE1 PHE A 28 -0.440 -0.129 4.321 1.00 0.00 C ATOM 372 CE2 PHE A 28 -0.609 -0.953 2.083 1.00 0.00 C ATOM 373 CZ PHE A 28 -0.208 -1.125 3.393 1.00 0.00 C ATOM 0 H PHE A 28 -4.413 1.748 1.488 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.306 2.416 4.027 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -2.425 2.428 1.151 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -1.468 3.325 2.312 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.250 1.816 4.663 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.550 0.347 0.676 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.129 -0.262 5.347 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.430 -1.732 1.356 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.287 -2.038 3.692 1.00 0.00 H new ATOM 383 N THR A 29 -4.062 4.780 4.260 1.00 0.00 N ATOM 384 CA THR A 29 -4.310 6.201 4.464 1.00 0.00 C ATOM 385 C THR A 29 -3.036 6.929 4.878 1.00 0.00 C ATOM 386 O THR A 29 -2.352 6.517 5.815 1.00 0.00 O ATOM 387 CB THR A 29 -5.392 6.435 5.537 1.00 0.00 C ATOM 388 OG1 THR A 29 -5.348 5.387 6.512 1.00 0.00 O ATOM 389 CG2 THR A 29 -6.775 6.491 4.907 1.00 0.00 C ATOM 0 H THR A 29 -4.233 4.200 5.081 1.00 0.00 H new ATOM 0 HA THR A 29 -4.660 6.599 3.512 1.00 0.00 H new ATOM 0 HB THR A 29 -5.192 7.391 6.022 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.037 5.543 7.191 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.522 6.657 5.683 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.814 7.308 4.186 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.982 5.549 4.400 1.00 0.00 H new ATOM 397 N CYS A 30 -2.723 8.011 4.174 1.00 0.00 N ATOM 398 CA CYS A 30 -1.530 8.796 4.468 1.00 0.00 C ATOM 399 C CYS A 30 -1.820 10.289 4.359 1.00 0.00 C ATOM 400 O CYS A 30 -2.914 10.693 3.962 1.00 0.00 O ATOM 401 CB CYS A 30 -0.395 8.414 3.516 1.00 0.00 C ATOM 402 SG CYS A 30 -0.811 8.589 1.765 1.00 0.00 S ATOM 0 H CYS A 30 -3.279 8.365 3.395 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.225 8.578 5.492 1.00 0.00 H new ATOM 0 HB2 CYS A 30 0.474 9.034 3.736 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.106 7.381 3.708 1.00 0.00 H new ATOM 0 HG CYS A 30 -2.101 8.678 1.632 1.00 0.00 H new ATOM 408 N LYS A 31 -0.835 11.106 4.716 1.00 0.00 N ATOM 409 CA LYS A 31 -0.984 12.555 4.659 1.00 0.00 C ATOM 410 C LYS A 31 0.283 13.211 4.119 1.00 0.00 C ATOM 411 O LYS A 31 1.355 12.605 4.112 1.00 0.00 O ATOM 412 CB LYS A 31 -1.306 13.110 6.048 1.00 0.00 C ATOM 413 CG LYS A 31 -2.168 14.361 6.019 1.00 0.00 C ATOM 414 CD LYS A 31 -2.263 15.005 7.391 1.00 0.00 C ATOM 415 CE LYS A 31 -3.221 16.186 7.388 1.00 0.00 C ATOM 416 NZ LYS A 31 -3.327 16.819 8.732 1.00 0.00 N ATOM 0 H LYS A 31 0.076 10.789 5.048 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.808 12.784 3.983 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.816 12.341 6.628 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.373 13.334 6.566 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.751 15.075 5.309 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.167 14.107 5.665 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.598 14.266 8.119 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.274 15.338 7.707 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.882 16.927 6.664 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.207 15.853 7.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.989 17.620 8.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.675 16.120 9.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.391 17.160 9.030 1.00 0.00 H new ATOM 430 N THR A 32 0.154 14.455 3.669 1.00 0.00 N ATOM 431 CA THR A 32 1.288 15.194 3.128 1.00 0.00 C ATOM 432 C THR A 32 1.200 16.674 3.482 1.00 0.00 C ATOM 433 O THR A 32 0.108 17.227 3.605 1.00 0.00 O ATOM 434 CB THR A 32 1.375 15.048 1.597 1.00 0.00 C ATOM 435 OG1 THR A 32 0.099 15.320 1.006 1.00 0.00 O ATOM 436 CG2 THR A 32 1.830 13.649 1.211 1.00 0.00 C ATOM 0 H THR A 32 -0.725 14.972 3.669 1.00 0.00 H new ATOM 0 HA THR A 32 2.185 14.769 3.578 1.00 0.00 H new ATOM 0 HB THR A 32 2.107 15.766 1.227 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.167 16.109 0.429 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.884 13.571 0.125 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.814 13.456 1.638 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.119 12.917 1.593 1.00 0.00 H new ATOM 444 N GLU A 33 2.357 17.309 3.644 1.00 0.00 N ATOM 445 CA GLU A 33 2.408 18.726 3.984 1.00 0.00 C ATOM 446 C GLU A 33 1.800 19.575 2.872 1.00 0.00 C ATOM 447 O GLU A 33 1.122 20.569 3.134 1.00 0.00 O ATOM 448 CB GLU A 33 3.853 19.160 4.239 1.00 0.00 C ATOM 449 CG GLU A 33 4.055 20.665 4.190 1.00 0.00 C ATOM 450 CD GLU A 33 5.451 21.081 4.609 1.00 0.00 C ATOM 451 OE1 GLU A 33 6.349 21.103 3.742 1.00 0.00 O ATOM 452 OE2 GLU A 33 5.646 21.384 5.805 1.00 0.00 O ATOM 0 H GLU A 33 3.270 16.865 3.545 1.00 0.00 H new ATOM 0 HA GLU A 33 1.825 18.876 4.892 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.167 18.792 5.216 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.500 18.691 3.498 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.863 21.021 3.178 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.326 21.147 4.841 1.00 0.00 H new ATOM 459 N HIS A 34 2.048 19.177 1.628 1.00 0.00 N ATOM 460 CA HIS A 34 1.525 19.900 0.475 1.00 0.00 C ATOM 461 C HIS A 34 0.755 18.963 -0.451 1.00 0.00 C ATOM 462 O HIS A 34 1.010 17.760 -0.509 1.00 0.00 O ATOM 463 CB HIS A 34 2.664 20.571 -0.292 1.00 0.00 C ATOM 464 CG HIS A 34 3.261 21.743 0.425 1.00 0.00 C ATOM 465 ND1 HIS A 34 2.609 22.949 0.570 1.00 0.00 N ATOM 466 CD2 HIS A 34 4.457 21.887 1.042 1.00 0.00 C ATOM 467 CE1 HIS A 34 3.378 23.785 1.243 1.00 0.00 C ATOM 468 NE2 HIS A 34 4.506 23.165 1.542 1.00 0.00 N ATOM 0 H HIS A 34 2.608 18.358 1.393 1.00 0.00 H new ATOM 0 HA HIS A 34 0.840 20.666 0.838 1.00 0.00 H new ATOM 0 HB2 HIS A 34 3.446 19.835 -0.482 1.00 0.00 H new ATOM 0 HB3 HIS A 34 2.293 20.900 -1.263 1.00 0.00 H new ATOM 0 HD2 HIS A 34 5.229 21.136 1.126 1.00 0.00 H new ATOM 0 HE1 HIS A 34 3.128 24.802 1.505 1.00 0.00 H new ATOM 0 HE2 HIS A 34 5.286 23.570 2.060 1.00 0.00 H new ATOM 477 N PRO A 35 -0.211 19.526 -1.193 1.00 0.00 N ATOM 478 CA PRO A 35 -1.037 18.758 -2.130 1.00 0.00 C ATOM 479 C PRO A 35 -0.247 18.280 -3.343 1.00 0.00 C ATOM 480 O PRO A 35 0.100 19.071 -4.220 1.00 0.00 O ATOM 481 CB PRO A 35 -2.115 19.759 -2.554 1.00 0.00 C ATOM 482 CG PRO A 35 -1.488 21.096 -2.358 1.00 0.00 C ATOM 483 CD PRO A 35 -0.569 20.954 -1.176 1.00 0.00 C ATOM 0 HA PRO A 35 -1.433 17.851 -1.675 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -2.409 19.608 -3.593 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -3.015 19.651 -1.949 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.936 21.402 -3.247 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -2.245 21.859 -2.174 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.311 21.590 -1.272 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.064 21.233 -0.246 1.00 0.00 H new ATOM 491 N ALA A 36 0.033 16.982 -3.387 1.00 0.00 N ATOM 492 CA ALA A 36 0.780 16.399 -4.495 1.00 0.00 C ATOM 493 C ALA A 36 -0.072 16.336 -5.758 1.00 0.00 C ATOM 494 O ALA A 36 -1.225 15.907 -5.720 1.00 0.00 O ATOM 495 CB ALA A 36 1.278 15.010 -4.122 1.00 0.00 C ATOM 0 H ALA A 36 -0.246 16.314 -2.668 1.00 0.00 H new ATOM 0 HA ALA A 36 1.639 17.039 -4.699 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.834 14.586 -4.958 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.929 15.079 -3.251 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.428 14.369 -3.890 1.00 0.00 H new ATOM 501 N ALA A 37 0.504 16.766 -6.876 1.00 0.00 N ATOM 502 CA ALA A 37 -0.202 16.757 -8.151 1.00 0.00 C ATOM 503 C ALA A 37 -0.247 15.352 -8.744 1.00 0.00 C ATOM 504 O ALA A 37 -1.234 14.961 -9.368 1.00 0.00 O ATOM 505 CB ALA A 37 0.456 17.722 -9.126 1.00 0.00 C ATOM 0 H ALA A 37 1.458 17.125 -6.924 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.227 17.081 -7.972 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.082 17.705 -10.074 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.431 18.730 -8.713 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.491 17.423 -9.291 1.00 0.00 H new ATOM 511 N THR A 38 0.829 14.597 -8.546 1.00 0.00 N ATOM 512 CA THR A 38 0.913 13.236 -9.062 1.00 0.00 C ATOM 513 C THR A 38 1.295 12.253 -7.962 1.00 0.00 C ATOM 514 O THR A 38 2.083 12.576 -7.073 1.00 0.00 O ATOM 515 CB THR A 38 1.938 13.132 -10.207 1.00 0.00 C ATOM 516 OG1 THR A 38 1.872 11.834 -10.808 1.00 0.00 O ATOM 517 CG2 THR A 38 3.348 13.389 -9.696 1.00 0.00 C ATOM 0 H THR A 38 1.654 14.905 -8.032 1.00 0.00 H new ATOM 0 HA THR A 38 -0.075 12.982 -9.445 1.00 0.00 H new ATOM 0 HB THR A 38 1.695 13.889 -10.952 1.00 0.00 H new ATOM 0 HG1 THR A 38 2.526 11.777 -11.536 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.054 13.310 -10.522 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.403 14.389 -9.266 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.598 12.652 -8.933 1.00 0.00 H new ATOM 525 N VAL A 39 0.732 11.051 -8.027 1.00 0.00 N ATOM 526 CA VAL A 39 1.016 10.019 -7.037 1.00 0.00 C ATOM 527 C VAL A 39 1.206 8.659 -7.699 1.00 0.00 C ATOM 528 O VAL A 39 0.340 8.188 -8.437 1.00 0.00 O ATOM 529 CB VAL A 39 -0.113 9.917 -5.994 1.00 0.00 C ATOM 530 CG1 VAL A 39 0.163 8.784 -5.017 1.00 0.00 C ATOM 531 CG2 VAL A 39 -0.279 11.238 -5.258 1.00 0.00 C ATOM 0 H VAL A 39 0.076 10.768 -8.755 1.00 0.00 H new ATOM 0 HA VAL A 39 1.940 10.307 -6.535 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.045 9.697 -6.514 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.645 8.727 -4.288 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.227 7.842 -5.561 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.105 8.970 -4.501 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.081 11.148 -4.525 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.651 11.490 -4.749 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.527 12.024 -5.972 1.00 0.00 H new ATOM 541 N THR A 40 2.346 8.030 -7.430 1.00 0.00 N ATOM 542 CA THR A 40 2.651 6.724 -8.000 1.00 0.00 C ATOM 543 C THR A 40 2.947 5.703 -6.907 1.00 0.00 C ATOM 544 O THR A 40 4.063 5.636 -6.393 1.00 0.00 O ATOM 545 CB THR A 40 3.854 6.796 -8.959 1.00 0.00 C ATOM 546 OG1 THR A 40 3.597 7.749 -9.996 1.00 0.00 O ATOM 547 CG2 THR A 40 4.139 5.434 -9.574 1.00 0.00 C ATOM 0 H THR A 40 3.073 8.404 -6.821 1.00 0.00 H new ATOM 0 HA THR A 40 1.769 6.409 -8.559 1.00 0.00 H new ATOM 0 HB THR A 40 4.728 7.108 -8.387 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.367 7.790 -10.601 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.993 5.510 -10.247 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.363 4.718 -8.784 1.00 0.00 H new ATOM 0 HG23 THR A 40 3.266 5.097 -10.132 1.00 0.00 H new ATOM 555 N TRP A 41 1.941 4.909 -6.558 1.00 0.00 N ATOM 556 CA TRP A 41 2.094 3.890 -5.526 1.00 0.00 C ATOM 557 C TRP A 41 2.996 2.759 -6.008 1.00 0.00 C ATOM 558 O TRP A 41 3.237 2.612 -7.206 1.00 0.00 O ATOM 559 CB TRP A 41 0.728 3.333 -5.123 1.00 0.00 C ATOM 560 CG TRP A 41 -0.141 4.337 -4.427 1.00 0.00 C ATOM 561 CD1 TRP A 41 -0.875 5.330 -5.011 1.00 0.00 C ATOM 562 CD2 TRP A 41 -0.364 4.446 -3.017 1.00 0.00 C ATOM 563 NE1 TRP A 41 -1.541 6.049 -4.048 1.00 0.00 N ATOM 564 CE2 TRP A 41 -1.245 5.527 -2.817 1.00 0.00 C ATOM 565 CE3 TRP A 41 0.093 3.734 -1.904 1.00 0.00 C ATOM 566 CZ2 TRP A 41 -1.675 5.911 -1.550 1.00 0.00 C ATOM 567 CZ3 TRP A 41 -0.335 4.118 -0.647 1.00 0.00 C ATOM 568 CH2 TRP A 41 -1.212 5.197 -0.478 1.00 0.00 C ATOM 0 H TRP A 41 1.011 4.951 -6.974 1.00 0.00 H new ATOM 0 HA TRP A 41 2.559 4.356 -4.657 1.00 0.00 H new ATOM 0 HB2 TRP A 41 0.213 2.973 -6.014 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.873 2.473 -4.469 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -0.925 5.522 -6.073 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.157 6.843 -4.222 1.00 0.00 H new ATOM 0 HE3 TRP A 41 0.768 2.899 -2.024 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -2.350 6.743 -1.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 0.013 3.576 0.220 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -1.529 5.471 0.517 1.00 0.00 H new ATOM 579 N ARG A 42 3.492 1.961 -5.067 1.00 0.00 N ATOM 580 CA ARG A 42 4.368 0.844 -5.397 1.00 0.00 C ATOM 581 C ARG A 42 4.167 -0.311 -4.420 1.00 0.00 C ATOM 582 O ARG A 42 3.918 -0.099 -3.233 1.00 0.00 O ATOM 583 CB ARG A 42 5.831 1.292 -5.379 1.00 0.00 C ATOM 584 CG ARG A 42 6.816 0.167 -5.649 1.00 0.00 C ATOM 585 CD ARG A 42 8.192 0.483 -5.083 1.00 0.00 C ATOM 586 NE ARG A 42 8.925 1.428 -5.920 1.00 0.00 N ATOM 587 CZ ARG A 42 10.192 1.766 -5.711 1.00 0.00 C ATOM 588 NH1 ARG A 42 10.864 1.237 -4.697 1.00 0.00 N ATOM 589 NH2 ARG A 42 10.791 2.634 -6.517 1.00 0.00 N ATOM 0 H ARG A 42 3.302 2.068 -4.071 1.00 0.00 H new ATOM 0 HA ARG A 42 4.113 0.499 -6.399 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.972 2.074 -6.125 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.055 1.734 -4.408 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.444 -0.758 -5.208 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.893 -0.001 -6.723 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.085 0.895 -4.080 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.766 -0.439 -4.990 1.00 0.00 H new ATOM 0 HE ARG A 42 8.437 1.852 -6.709 1.00 0.00 H new ATOM 0 HH11 ARG A 42 10.408 0.569 -4.076 1.00 0.00 H new ATOM 0 HH12 ARG A 42 11.837 1.498 -4.539 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.278 3.042 -7.298 1.00 0.00 H new ATOM 0 HH22 ARG A 42 11.764 2.893 -6.355 1.00 0.00 H new ATOM 603 N LYS A 43 4.277 -1.534 -4.928 1.00 0.00 N ATOM 604 CA LYS A 43 4.109 -2.724 -4.102 1.00 0.00 C ATOM 605 C LYS A 43 5.060 -3.832 -4.543 1.00 0.00 C ATOM 606 O LYS A 43 4.956 -4.346 -5.655 1.00 0.00 O ATOM 607 CB LYS A 43 2.663 -3.220 -4.174 1.00 0.00 C ATOM 608 CG LYS A 43 2.462 -4.600 -3.574 1.00 0.00 C ATOM 609 CD LYS A 43 1.180 -5.245 -4.074 1.00 0.00 C ATOM 610 CE LYS A 43 1.063 -6.688 -3.608 1.00 0.00 C ATOM 611 NZ LYS A 43 1.798 -7.622 -4.505 1.00 0.00 N ATOM 0 H LYS A 43 4.482 -1.727 -5.908 1.00 0.00 H new ATOM 0 HA LYS A 43 4.344 -2.456 -3.072 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.018 -2.510 -3.655 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.345 -3.237 -5.216 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.312 -5.234 -3.826 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.432 -4.524 -2.487 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.322 -4.676 -3.717 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.155 -5.210 -5.163 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.454 -6.775 -2.594 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.012 -6.973 -3.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.694 -8.595 -4.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.408 -7.558 -5.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.806 -7.366 -4.522 1.00 0.00 H new ATOM 670 N GLU A 47 5.362 -1.079 -9.784 1.00 0.00 N ATOM 671 CA GLU A 47 4.540 0.120 -9.901 1.00 0.00 C ATOM 672 C GLU A 47 3.061 -0.242 -9.999 1.00 0.00 C ATOM 673 O GLU A 47 2.673 -1.111 -10.780 1.00 0.00 O ATOM 674 CB GLU A 47 4.959 0.934 -11.128 1.00 0.00 C ATOM 675 CG GLU A 47 4.387 2.342 -11.148 1.00 0.00 C ATOM 676 CD GLU A 47 4.591 3.035 -12.481 1.00 0.00 C ATOM 677 OE1 GLU A 47 4.047 2.545 -13.493 1.00 0.00 O ATOM 678 OE2 GLU A 47 5.294 4.066 -12.513 1.00 0.00 O ATOM 0 HA GLU A 47 4.691 0.722 -9.005 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.047 0.992 -11.161 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.641 0.409 -12.028 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.321 2.300 -10.924 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.856 2.932 -10.360 1.00 0.00 H new ATOM 685 N LEU A 48 2.240 0.429 -9.199 1.00 0.00 N ATOM 686 CA LEU A 48 0.803 0.179 -9.193 1.00 0.00 C ATOM 687 C LEU A 48 0.070 1.191 -10.067 1.00 0.00 C ATOM 688 O LEU A 48 0.488 2.343 -10.183 1.00 0.00 O ATOM 689 CB LEU A 48 0.261 0.236 -7.763 1.00 0.00 C ATOM 690 CG LEU A 48 0.999 -0.618 -6.731 1.00 0.00 C ATOM 691 CD1 LEU A 48 0.470 -0.341 -5.333 1.00 0.00 C ATOM 692 CD2 LEU A 48 0.867 -2.096 -7.070 1.00 0.00 C ATOM 0 H LEU A 48 2.545 1.151 -8.546 1.00 0.00 H new ATOM 0 HA LEU A 48 0.631 -0.817 -9.601 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.282 1.273 -7.429 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.784 -0.072 -7.779 1.00 0.00 H new ATOM 0 HG LEU A 48 2.056 -0.353 -6.756 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.007 -0.958 -4.612 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.616 0.712 -5.091 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.593 -0.578 -5.293 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.398 -2.689 -6.325 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.186 -2.376 -7.073 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.295 -2.283 -8.055 1.00 0.00 H new ATOM 704 N ARG A 49 -1.025 0.753 -10.679 1.00 0.00 N ATOM 705 CA ARG A 49 -1.817 1.621 -11.542 1.00 0.00 C ATOM 706 C ARG A 49 -3.296 1.553 -11.173 1.00 0.00 C ATOM 707 O ARG A 49 -3.833 0.475 -10.917 1.00 0.00 O ATOM 708 CB ARG A 49 -1.628 1.228 -13.008 1.00 0.00 C ATOM 709 CG ARG A 49 -2.079 -0.189 -13.322 1.00 0.00 C ATOM 710 CD ARG A 49 -1.274 -0.790 -14.464 1.00 0.00 C ATOM 711 NE ARG A 49 -0.076 -1.476 -13.987 1.00 0.00 N ATOM 712 CZ ARG A 49 -0.106 -2.566 -13.229 1.00 0.00 C ATOM 713 NH1 ARG A 49 -1.267 -3.091 -12.863 1.00 0.00 N ATOM 714 NH2 ARG A 49 1.027 -3.133 -12.835 1.00 0.00 N ATOM 0 H ARG A 49 -1.384 -0.198 -10.593 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.472 2.645 -11.400 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.183 1.924 -13.636 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.575 1.332 -13.270 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.972 -0.811 -12.433 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.137 -0.186 -13.584 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.898 -1.492 -15.017 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.987 -0.002 -15.160 1.00 0.00 H new ATOM 0 HE ARG A 49 0.834 -1.097 -14.251 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.140 -2.658 -13.164 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.287 -3.928 -12.281 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.922 -2.732 -13.114 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.003 -3.970 -12.253 1.00 0.00 H new ATOM 728 N ALA A 50 -3.948 2.710 -11.147 1.00 0.00 N ATOM 729 CA ALA A 50 -5.365 2.782 -10.811 1.00 0.00 C ATOM 730 C ALA A 50 -6.147 1.662 -11.488 1.00 0.00 C ATOM 731 O ALA A 50 -6.414 1.717 -12.689 1.00 0.00 O ATOM 732 CB ALA A 50 -5.933 4.137 -11.203 1.00 0.00 C ATOM 0 H ALA A 50 -3.518 3.611 -11.355 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.464 2.658 -9.733 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.992 4.176 -10.946 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.401 4.923 -10.668 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.815 4.284 -12.276 1.00 0.00 H new ATOM 738 N SER A 51 -6.511 0.646 -10.712 1.00 0.00 N ATOM 739 CA SER A 51 -7.259 -0.489 -11.239 1.00 0.00 C ATOM 740 C SER A 51 -8.175 -1.079 -10.171 1.00 0.00 C ATOM 741 O SER A 51 -7.974 -0.865 -8.976 1.00 0.00 O ATOM 742 CB SER A 51 -6.299 -1.564 -11.753 1.00 0.00 C ATOM 743 OG SER A 51 -5.781 -1.218 -13.026 1.00 0.00 O ATOM 0 H SER A 51 -6.300 0.586 -9.716 1.00 0.00 H new ATOM 0 HA SER A 51 -7.875 -0.135 -12.066 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.479 -1.692 -11.046 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.819 -2.520 -11.816 1.00 0.00 H new ATOM 0 HG SER A 51 -5.963 -0.272 -13.207 1.00 0.00 H new ATOM 749 N GLY A 52 -9.186 -1.823 -10.612 1.00 0.00 N ATOM 750 CA GLY A 52 -10.119 -2.432 -9.683 1.00 0.00 C ATOM 751 C GLY A 52 -9.453 -2.866 -8.392 1.00 0.00 C ATOM 752 O GLY A 52 -10.071 -2.846 -7.328 1.00 0.00 O ATOM 0 H GLY A 52 -9.375 -2.014 -11.596 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.916 -1.724 -9.457 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -10.586 -3.296 -10.156 1.00 0.00 H new ATOM 756 N LYS A 53 -8.188 -3.261 -8.486 1.00 0.00 N ATOM 757 CA LYS A 53 -7.436 -3.703 -7.317 1.00 0.00 C ATOM 758 C LYS A 53 -6.908 -2.510 -6.527 1.00 0.00 C ATOM 759 O LYS A 53 -7.286 -2.300 -5.374 1.00 0.00 O ATOM 760 CB LYS A 53 -6.272 -4.601 -7.744 1.00 0.00 C ATOM 761 CG LYS A 53 -5.622 -5.344 -6.589 1.00 0.00 C ATOM 762 CD LYS A 53 -6.549 -6.401 -6.014 1.00 0.00 C ATOM 763 CE LYS A 53 -5.865 -7.206 -4.919 1.00 0.00 C ATOM 764 NZ LYS A 53 -4.821 -8.114 -5.468 1.00 0.00 N ATOM 0 H LYS A 53 -7.662 -3.284 -9.359 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.110 -4.271 -6.676 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.632 -5.325 -8.475 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.518 -3.992 -8.243 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.700 -5.814 -6.931 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -5.348 -4.635 -5.808 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.442 -5.923 -5.612 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.876 -7.071 -6.809 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.412 -6.526 -4.198 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.609 -7.792 -4.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.474 -8.740 -4.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.228 -8.688 -6.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.031 -7.550 -5.840 1.00 0.00 H new ATOM 778 N HIS A 54 -6.033 -1.731 -7.154 1.00 0.00 N ATOM 779 CA HIS A 54 -5.454 -0.557 -6.509 1.00 0.00 C ATOM 780 C HIS A 54 -6.109 0.722 -7.022 1.00 0.00 C ATOM 781 O HIS A 54 -5.793 1.198 -8.112 1.00 0.00 O ATOM 782 CB HIS A 54 -3.946 -0.506 -6.755 1.00 0.00 C ATOM 783 CG HIS A 54 -3.271 -1.836 -6.618 1.00 0.00 C ATOM 784 ND1 HIS A 54 -3.043 -2.677 -7.687 1.00 0.00 N ATOM 785 CD2 HIS A 54 -2.772 -2.468 -5.530 1.00 0.00 C ATOM 786 CE1 HIS A 54 -2.435 -3.770 -7.261 1.00 0.00 C ATOM 787 NE2 HIS A 54 -2.258 -3.668 -5.957 1.00 0.00 N ATOM 0 H HIS A 54 -5.709 -1.891 -8.108 1.00 0.00 H new ATOM 0 HA HIS A 54 -5.637 -0.634 -5.437 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -3.763 -0.116 -7.756 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -3.495 0.195 -6.053 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -2.777 -2.098 -4.515 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -2.134 -4.605 -7.876 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -1.812 -4.367 -5.363 1.00 0.00 H new ATOM 796 N GLN A 55 -7.022 1.272 -6.228 1.00 0.00 N ATOM 797 CA GLN A 55 -7.722 2.495 -6.603 1.00 0.00 C ATOM 798 C GLN A 55 -7.369 3.637 -5.655 1.00 0.00 C ATOM 799 O GLN A 55 -7.990 3.821 -4.608 1.00 0.00 O ATOM 800 CB GLN A 55 -9.234 2.264 -6.601 1.00 0.00 C ATOM 801 CG GLN A 55 -9.783 1.816 -7.946 1.00 0.00 C ATOM 802 CD GLN A 55 -10.215 2.979 -8.817 1.00 0.00 C ATOM 803 OE1 GLN A 55 -10.856 3.919 -8.344 1.00 0.00 O ATOM 804 NE2 GLN A 55 -9.867 2.922 -10.097 1.00 0.00 N ATOM 0 H GLN A 55 -7.294 0.891 -5.322 1.00 0.00 H new ATOM 0 HA GLN A 55 -7.405 2.771 -7.609 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -9.477 1.512 -5.850 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -9.734 3.186 -6.303 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -9.022 1.238 -8.470 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -10.633 1.153 -7.785 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -9.336 2.124 -10.446 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -10.131 3.676 -10.731 1.00 0.00 H new ATOM 813 N PRO A 56 -6.348 4.422 -6.029 1.00 0.00 N ATOM 814 CA PRO A 56 -5.890 5.560 -5.226 1.00 0.00 C ATOM 815 C PRO A 56 -6.896 6.705 -5.216 1.00 0.00 C ATOM 816 O PRO A 56 -7.928 6.643 -5.883 1.00 0.00 O ATOM 817 CB PRO A 56 -4.597 5.989 -5.924 1.00 0.00 C ATOM 818 CG PRO A 56 -4.756 5.528 -7.332 1.00 0.00 C ATOM 819 CD PRO A 56 -5.563 4.261 -7.264 1.00 0.00 C ATOM 0 HA PRO A 56 -5.756 5.292 -4.178 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.460 7.069 -5.874 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.724 5.535 -5.455 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.263 6.282 -7.935 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.786 5.349 -7.796 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -6.206 4.147 -8.137 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.924 3.379 -7.222 1.00 0.00 H new ATOM 827 N SER A 57 -6.588 7.751 -4.455 1.00 0.00 N ATOM 828 CA SER A 57 -7.467 8.910 -4.356 1.00 0.00 C ATOM 829 C SER A 57 -6.694 10.140 -3.891 1.00 0.00 C ATOM 830 O SER A 57 -5.578 10.030 -3.385 1.00 0.00 O ATOM 831 CB SER A 57 -8.618 8.622 -3.390 1.00 0.00 C ATOM 832 OG SER A 57 -9.634 7.861 -4.021 1.00 0.00 O ATOM 0 H SER A 57 -5.736 7.819 -3.898 1.00 0.00 H new ATOM 0 HA SER A 57 -7.875 9.112 -5.347 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.241 8.082 -2.521 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.035 9.561 -3.026 1.00 0.00 H new ATOM 0 HG SER A 57 -9.248 7.354 -4.766 1.00 0.00 H new ATOM 838 N GLN A 58 -7.297 11.312 -4.067 1.00 0.00 N ATOM 839 CA GLN A 58 -6.665 12.563 -3.666 1.00 0.00 C ATOM 840 C GLN A 58 -7.682 13.508 -3.035 1.00 0.00 C ATOM 841 O GLN A 58 -8.645 13.920 -3.681 1.00 0.00 O ATOM 842 CB GLN A 58 -6.007 13.236 -4.872 1.00 0.00 C ATOM 843 CG GLN A 58 -5.402 14.594 -4.556 1.00 0.00 C ATOM 844 CD GLN A 58 -4.814 15.270 -5.779 1.00 0.00 C ATOM 845 OE1 GLN A 58 -5.370 15.189 -6.875 1.00 0.00 O ATOM 846 NE2 GLN A 58 -3.682 15.941 -5.598 1.00 0.00 N ATOM 0 H GLN A 58 -8.221 11.421 -4.484 1.00 0.00 H new ATOM 0 HA GLN A 58 -5.900 12.333 -2.925 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.227 12.582 -5.262 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -6.749 13.353 -5.662 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -6.168 15.237 -4.123 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.624 14.474 -3.802 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.256 15.982 -4.672 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.239 16.415 -6.385 1.00 0.00 H new ATOM 855 N GLU A 59 -7.461 13.847 -1.768 1.00 0.00 N ATOM 856 CA GLU A 59 -8.359 14.743 -1.050 1.00 0.00 C ATOM 857 C GLU A 59 -7.580 15.862 -0.366 1.00 0.00 C ATOM 858 O GLU A 59 -7.347 15.824 0.841 1.00 0.00 O ATOM 859 CB GLU A 59 -9.170 13.964 -0.012 1.00 0.00 C ATOM 860 CG GLU A 59 -10.338 13.194 -0.604 1.00 0.00 C ATOM 861 CD GLU A 59 -11.498 14.096 -0.983 1.00 0.00 C ATOM 862 OE1 GLU A 59 -11.495 14.623 -2.115 1.00 0.00 O ATOM 863 OE2 GLU A 59 -12.408 14.273 -0.147 1.00 0.00 O ATOM 0 H GLU A 59 -6.668 13.515 -1.219 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.041 15.189 -1.774 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.510 13.266 0.503 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -9.547 14.659 0.738 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.001 12.651 -1.487 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.681 12.450 0.116 1.00 0.00 H new ATOM 870 N GLY A 60 -7.178 16.859 -1.149 1.00 0.00 N ATOM 871 CA GLY A 60 -6.428 17.976 -0.603 1.00 0.00 C ATOM 872 C GLY A 60 -5.062 17.562 -0.091 1.00 0.00 C ATOM 873 O GLY A 60 -4.108 17.457 -0.863 1.00 0.00 O ATOM 0 H GLY A 60 -7.358 16.913 -2.151 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.308 18.740 -1.371 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.996 18.428 0.210 1.00 0.00 H new ATOM 877 N LEU A 61 -4.967 17.327 1.212 1.00 0.00 N ATOM 878 CA LEU A 61 -3.707 16.924 1.827 1.00 0.00 C ATOM 879 C LEU A 61 -3.814 15.521 2.418 1.00 0.00 C ATOM 880 O LEU A 61 -3.018 15.134 3.275 1.00 0.00 O ATOM 881 CB LEU A 61 -3.307 17.919 2.917 1.00 0.00 C ATOM 882 CG LEU A 61 -2.905 19.314 2.437 1.00 0.00 C ATOM 883 CD1 LEU A 61 -2.627 20.227 3.622 1.00 0.00 C ATOM 884 CD2 LEU A 61 -1.688 19.235 1.527 1.00 0.00 C ATOM 0 H LEU A 61 -5.747 17.408 1.864 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.940 16.915 1.053 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.141 18.022 3.611 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.475 17.496 3.479 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.734 19.734 1.867 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.342 21.215 3.261 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.524 20.309 4.236 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.815 19.811 4.219 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.416 20.237 1.195 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.854 18.795 2.073 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.921 18.616 0.660 1.00 0.00 H new ATOM 896 N THR A 62 -4.801 14.762 1.953 1.00 0.00 N ATOM 897 CA THR A 62 -5.011 13.402 2.433 1.00 0.00 C ATOM 898 C THR A 62 -5.126 12.420 1.273 1.00 0.00 C ATOM 899 O THR A 62 -6.043 12.513 0.456 1.00 0.00 O ATOM 900 CB THR A 62 -6.280 13.303 3.302 1.00 0.00 C ATOM 901 OG1 THR A 62 -6.356 14.426 4.187 1.00 0.00 O ATOM 902 CG2 THR A 62 -6.284 12.014 4.108 1.00 0.00 C ATOM 0 H THR A 62 -5.468 15.066 1.244 1.00 0.00 H new ATOM 0 HA THR A 62 -4.143 13.144 3.039 1.00 0.00 H new ATOM 0 HB THR A 62 -7.147 13.302 2.642 1.00 0.00 H new ATOM 0 HG1 THR A 62 -7.166 14.357 4.735 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.189 11.966 4.714 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.256 11.161 3.430 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.410 11.989 4.759 1.00 0.00 H new ATOM 910 N LEU A 63 -4.190 11.479 1.206 1.00 0.00 N ATOM 911 CA LEU A 63 -4.187 10.478 0.145 1.00 0.00 C ATOM 912 C LEU A 63 -4.463 9.088 0.708 1.00 0.00 C ATOM 913 O LEU A 63 -4.105 8.786 1.847 1.00 0.00 O ATOM 914 CB LEU A 63 -2.844 10.487 -0.587 1.00 0.00 C ATOM 915 CG LEU A 63 -2.358 11.850 -1.082 1.00 0.00 C ATOM 916 CD1 LEU A 63 -0.840 11.878 -1.167 1.00 0.00 C ATOM 917 CD2 LEU A 63 -2.976 12.178 -2.434 1.00 0.00 C ATOM 0 H LEU A 63 -3.424 11.389 1.873 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.980 10.728 -0.560 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.087 10.074 0.080 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.915 9.816 -1.443 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.675 12.609 -0.366 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.513 12.856 -1.521 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.417 11.689 -0.180 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.500 11.109 -1.861 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.619 13.151 -2.771 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.690 11.416 -3.159 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.062 12.202 -2.342 1.00 0.00 H new ATOM 929 N ARG A 64 -5.099 8.244 -0.099 1.00 0.00 N ATOM 930 CA ARG A 64 -5.422 6.885 0.318 1.00 0.00 C ATOM 931 C ARG A 64 -5.441 5.939 -0.879 1.00 0.00 C ATOM 932 O ARG A 64 -5.727 6.350 -2.004 1.00 0.00 O ATOM 933 CB ARG A 64 -6.777 6.855 1.027 1.00 0.00 C ATOM 934 CG ARG A 64 -7.935 7.298 0.148 1.00 0.00 C ATOM 935 CD ARG A 64 -9.217 7.453 0.951 1.00 0.00 C ATOM 936 NE ARG A 64 -9.934 6.188 1.086 1.00 0.00 N ATOM 937 CZ ARG A 64 -10.527 5.568 0.072 1.00 0.00 C ATOM 938 NH1 ARG A 64 -10.489 6.092 -1.145 1.00 0.00 N ATOM 939 NH2 ARG A 64 -11.161 4.419 0.275 1.00 0.00 N ATOM 0 H ARG A 64 -5.400 8.478 -1.045 1.00 0.00 H new ATOM 0 HA ARG A 64 -4.650 6.551 1.011 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.969 5.843 1.383 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.732 7.499 1.906 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.688 8.245 -0.331 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.089 6.569 -0.648 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.980 7.843 1.941 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.862 8.186 0.466 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.982 5.757 2.009 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.003 6.974 -1.305 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -10.946 5.613 -1.921 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.193 4.012 1.210 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.616 3.943 -0.504 1.00 0.00 H new ATOM 953 N LEU A 65 -5.133 4.671 -0.629 1.00 0.00 N ATOM 954 CA LEU A 65 -5.114 3.666 -1.686 1.00 0.00 C ATOM 955 C LEU A 65 -5.882 2.417 -1.264 1.00 0.00 C ATOM 956 O LEU A 65 -5.370 1.583 -0.517 1.00 0.00 O ATOM 957 CB LEU A 65 -3.673 3.297 -2.040 1.00 0.00 C ATOM 958 CG LEU A 65 -3.499 2.181 -3.072 1.00 0.00 C ATOM 959 CD1 LEU A 65 -3.825 2.689 -4.467 1.00 0.00 C ATOM 960 CD2 LEU A 65 -2.084 1.624 -3.021 1.00 0.00 C ATOM 0 H LEU A 65 -4.893 4.315 0.296 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.600 4.089 -2.565 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.172 4.190 -2.413 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.160 3.001 -1.125 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.193 1.376 -2.830 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.696 1.882 -5.188 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.857 3.039 -4.495 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.156 3.512 -4.720 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.978 0.831 -3.762 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.372 2.420 -3.237 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.887 1.221 -2.028 1.00 0.00 H new ATOM 972 N THR A 66 -7.114 2.294 -1.749 1.00 0.00 N ATOM 973 CA THR A 66 -7.952 1.147 -1.423 1.00 0.00 C ATOM 974 C THR A 66 -7.488 -0.101 -2.166 1.00 0.00 C ATOM 975 O THR A 66 -7.243 -0.062 -3.372 1.00 0.00 O ATOM 976 CB THR A 66 -9.429 1.415 -1.766 1.00 0.00 C ATOM 977 OG1 THR A 66 -9.919 2.516 -0.993 1.00 0.00 O ATOM 978 CG2 THR A 66 -10.280 0.183 -1.498 1.00 0.00 C ATOM 0 H THR A 66 -7.553 2.975 -2.369 1.00 0.00 H new ATOM 0 HA THR A 66 -7.860 0.983 -0.349 1.00 0.00 H new ATOM 0 HB THR A 66 -9.494 1.658 -2.827 1.00 0.00 H new ATOM 0 HG1 THR A 66 -9.501 3.346 -1.305 1.00 0.00 H new ATOM 0 HG21 THR A 66 -11.319 0.397 -1.748 1.00 0.00 H new ATOM 0 HG22 THR A 66 -9.923 -0.646 -2.109 1.00 0.00 H new ATOM 0 HG23 THR A 66 -10.208 -0.086 -0.444 1.00 0.00 H new ATOM 986 N ILE A 67 -7.371 -1.207 -1.438 1.00 0.00 N ATOM 987 CA ILE A 67 -6.938 -2.467 -2.029 1.00 0.00 C ATOM 988 C ILE A 67 -7.888 -3.602 -1.661 1.00 0.00 C ATOM 989 O ILE A 67 -7.775 -4.195 -0.588 1.00 0.00 O ATOM 990 CB ILE A 67 -5.513 -2.840 -1.581 1.00 0.00 C ATOM 991 CG1 ILE A 67 -4.568 -1.650 -1.769 1.00 0.00 C ATOM 992 CG2 ILE A 67 -5.012 -4.048 -2.357 1.00 0.00 C ATOM 993 CD1 ILE A 67 -3.298 -1.753 -0.955 1.00 0.00 C ATOM 0 H ILE A 67 -7.570 -1.256 -0.439 1.00 0.00 H new ATOM 0 HA ILE A 67 -6.944 -2.326 -3.110 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.537 -3.098 -0.522 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.308 -1.566 -2.824 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.092 -0.734 -1.496 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.003 -4.299 -2.028 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.673 -4.896 -2.177 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.000 -3.817 -3.422 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.677 -0.876 -1.138 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.548 -1.806 0.105 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.752 -2.651 -1.244 1.00 0.00 H new ATOM 1005 N SER A 68 -8.822 -3.900 -2.558 1.00 0.00 N ATOM 1006 CA SER A 68 -9.793 -4.963 -2.326 1.00 0.00 C ATOM 1007 C SER A 68 -9.279 -6.295 -2.865 1.00 0.00 C ATOM 1008 O SER A 68 -8.277 -6.344 -3.577 1.00 0.00 O ATOM 1009 CB SER A 68 -11.129 -4.615 -2.986 1.00 0.00 C ATOM 1010 OG SER A 68 -12.213 -5.190 -2.277 1.00 0.00 O ATOM 0 H SER A 68 -8.927 -3.421 -3.452 1.00 0.00 H new ATOM 0 HA SER A 68 -9.941 -5.058 -1.250 1.00 0.00 H new ATOM 0 HB2 SER A 68 -11.248 -3.532 -3.024 1.00 0.00 H new ATOM 0 HB3 SER A 68 -11.133 -4.972 -4.016 1.00 0.00 H new ATOM 0 HG SER A 68 -13.055 -4.952 -2.718 1.00 0.00 H new ATOM 1016 N ALA A 69 -9.974 -7.373 -2.519 1.00 0.00 N ATOM 1017 CA ALA A 69 -9.591 -8.706 -2.968 1.00 0.00 C ATOM 1018 C ALA A 69 -8.219 -9.095 -2.426 1.00 0.00 C ATOM 1019 O ALA A 69 -7.438 -9.763 -3.105 1.00 0.00 O ATOM 1020 CB ALA A 69 -9.598 -8.773 -4.488 1.00 0.00 C ATOM 0 H ALA A 69 -10.806 -7.350 -1.929 1.00 0.00 H new ATOM 0 HA ALA A 69 -10.321 -9.417 -2.580 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -9.310 -9.774 -4.809 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -10.598 -8.547 -4.858 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.891 -8.046 -4.887 1.00 0.00 H new ATOM 1026 N LEU A 70 -7.932 -8.672 -1.200 1.00 0.00 N ATOM 1027 CA LEU A 70 -6.653 -8.975 -0.566 1.00 0.00 C ATOM 1028 C LEU A 70 -6.326 -10.461 -0.684 1.00 0.00 C ATOM 1029 O LEU A 70 -7.133 -11.246 -1.181 1.00 0.00 O ATOM 1030 CB LEU A 70 -6.680 -8.562 0.906 1.00 0.00 C ATOM 1031 CG LEU A 70 -6.939 -7.081 1.183 1.00 0.00 C ATOM 1032 CD1 LEU A 70 -7.366 -6.874 2.628 1.00 0.00 C ATOM 1033 CD2 LEU A 70 -5.699 -6.255 0.869 1.00 0.00 C ATOM 0 H LEU A 70 -8.567 -8.118 -0.625 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.877 -8.409 -1.081 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.449 -9.146 1.412 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.725 -8.834 1.356 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.749 -6.747 0.535 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.546 -5.814 2.806 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.281 -7.435 2.821 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.578 -7.225 3.294 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.901 -5.203 1.072 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.870 -6.592 1.492 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.437 -6.378 -0.182 1.00 0.00 H new ATOM 1045 N GLU A 71 -5.139 -10.838 -0.220 1.00 0.00 N ATOM 1046 CA GLU A 71 -4.707 -12.230 -0.272 1.00 0.00 C ATOM 1047 C GLU A 71 -3.376 -12.414 0.451 1.00 0.00 C ATOM 1048 O GLU A 71 -2.541 -11.510 0.480 1.00 0.00 O ATOM 1049 CB GLU A 71 -4.579 -12.693 -1.725 1.00 0.00 C ATOM 1050 CG GLU A 71 -3.569 -11.895 -2.532 1.00 0.00 C ATOM 1051 CD GLU A 71 -3.903 -11.856 -4.010 1.00 0.00 C ATOM 1052 OE1 GLU A 71 -5.094 -11.693 -4.346 1.00 0.00 O ATOM 1053 OE2 GLU A 71 -2.971 -11.988 -4.832 1.00 0.00 O ATOM 0 H GLU A 71 -4.460 -10.200 0.196 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.460 -12.837 0.230 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -4.292 -13.745 -1.738 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.554 -12.622 -2.207 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -3.525 -10.876 -2.146 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.578 -12.330 -2.399 1.00 0.00 H new ATOM 1060 N LYS A 72 -3.185 -13.592 1.035 1.00 0.00 N ATOM 1061 CA LYS A 72 -1.956 -13.898 1.759 1.00 0.00 C ATOM 1062 C LYS A 72 -0.731 -13.475 0.954 1.00 0.00 C ATOM 1063 O LYS A 72 0.333 -13.217 1.515 1.00 0.00 O ATOM 1064 CB LYS A 72 -1.883 -15.394 2.071 1.00 0.00 C ATOM 1065 CG LYS A 72 -2.704 -15.804 3.282 1.00 0.00 C ATOM 1066 CD LYS A 72 -2.880 -17.311 3.352 1.00 0.00 C ATOM 1067 CE LYS A 72 -3.491 -17.740 4.677 1.00 0.00 C ATOM 1068 NZ LYS A 72 -4.163 -19.065 4.576 1.00 0.00 N ATOM 0 H LYS A 72 -3.866 -14.351 1.021 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.965 -13.338 2.694 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.227 -15.955 1.202 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.842 -15.671 2.237 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.215 -15.451 4.190 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.682 -15.324 3.239 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.517 -17.642 2.532 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.913 -17.798 3.221 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.712 -17.785 5.438 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.213 -16.991 5.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.566 -19.321 5.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.923 -19.016 3.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.469 -19.785 4.289 1.00 0.00 H new ATOM 1082 N ALA A 73 -0.890 -13.406 -0.364 1.00 0.00 N ATOM 1083 CA ALA A 73 0.202 -13.011 -1.245 1.00 0.00 C ATOM 1084 C ALA A 73 0.383 -11.497 -1.250 1.00 0.00 C ATOM 1085 O ALA A 73 1.504 -10.996 -1.339 1.00 0.00 O ATOM 1086 CB ALA A 73 -0.049 -13.520 -2.657 1.00 0.00 C ATOM 0 H ALA A 73 -1.764 -13.618 -0.845 1.00 0.00 H new ATOM 0 HA ALA A 73 1.121 -13.459 -0.867 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.774 -13.218 -3.304 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.120 -14.608 -2.644 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.981 -13.100 -3.035 1.00 0.00 H new ATOM 1092 N ASP A 74 -0.727 -10.773 -1.156 1.00 0.00 N ATOM 1093 CA ASP A 74 -0.690 -9.315 -1.149 1.00 0.00 C ATOM 1094 C ASP A 74 0.244 -8.800 -0.060 1.00 0.00 C ATOM 1095 O ASP A 74 0.906 -7.775 -0.229 1.00 0.00 O ATOM 1096 CB ASP A 74 -2.097 -8.750 -0.942 1.00 0.00 C ATOM 1097 CG ASP A 74 -2.831 -8.532 -2.251 1.00 0.00 C ATOM 1098 OD1 ASP A 74 -2.169 -8.192 -3.254 1.00 0.00 O ATOM 1099 OD2 ASP A 74 -4.068 -8.702 -2.271 1.00 0.00 O ATOM 0 H ASP A 74 -1.663 -11.172 -1.084 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.311 -8.981 -2.115 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -2.671 -9.433 -0.316 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.030 -7.804 -0.404 1.00 0.00 H new ATOM 1104 N SER A 75 0.292 -9.516 1.059 1.00 0.00 N ATOM 1105 CA SER A 75 1.142 -9.128 2.179 1.00 0.00 C ATOM 1106 C SER A 75 2.537 -8.744 1.695 1.00 0.00 C ATOM 1107 O SER A 75 3.372 -9.608 1.426 1.00 0.00 O ATOM 1108 CB SER A 75 1.238 -10.269 3.193 1.00 0.00 C ATOM 1109 OG SER A 75 -0.045 -10.787 3.501 1.00 0.00 O ATOM 0 H SER A 75 -0.248 -10.368 1.214 1.00 0.00 H new ATOM 0 HA SER A 75 0.692 -8.260 2.661 1.00 0.00 H new ATOM 0 HB2 SER A 75 1.868 -11.063 2.793 1.00 0.00 H new ATOM 0 HB3 SER A 75 1.717 -9.911 4.104 1.00 0.00 H new ATOM 0 HG SER A 75 -0.195 -11.613 2.995 1.00 0.00 H new ATOM 1115 N ASP A 76 2.781 -7.443 1.587 1.00 0.00 N ATOM 1116 CA ASP A 76 4.075 -6.943 1.137 1.00 0.00 C ATOM 1117 C ASP A 76 4.270 -5.488 1.553 1.00 0.00 C ATOM 1118 O ASP A 76 3.371 -4.867 2.121 1.00 0.00 O ATOM 1119 CB ASP A 76 4.195 -7.072 -0.382 1.00 0.00 C ATOM 1120 CG ASP A 76 4.465 -8.497 -0.823 1.00 0.00 C ATOM 1121 OD1 ASP A 76 5.578 -8.999 -0.558 1.00 0.00 O ATOM 1122 OD2 ASP A 76 3.564 -9.110 -1.432 1.00 0.00 O ATOM 0 H ASP A 76 2.100 -6.715 1.805 1.00 0.00 H new ATOM 0 HA ASP A 76 4.853 -7.544 1.608 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.275 -6.719 -0.847 1.00 0.00 H new ATOM 0 HB3 ASP A 76 4.999 -6.427 -0.736 1.00 0.00 H new ATOM 1127 N THR A 77 5.452 -4.950 1.268 1.00 0.00 N ATOM 1128 CA THR A 77 5.767 -3.570 1.615 1.00 0.00 C ATOM 1129 C THR A 77 5.374 -2.617 0.491 1.00 0.00 C ATOM 1130 O THR A 77 5.885 -2.713 -0.624 1.00 0.00 O ATOM 1131 CB THR A 77 7.267 -3.395 1.919 1.00 0.00 C ATOM 1132 OG1 THR A 77 7.651 -4.253 2.999 1.00 0.00 O ATOM 1133 CG2 THR A 77 7.581 -1.950 2.277 1.00 0.00 C ATOM 0 H THR A 77 6.207 -5.449 0.798 1.00 0.00 H new ATOM 0 HA THR A 77 5.192 -3.330 2.509 1.00 0.00 H new ATOM 0 HB THR A 77 7.830 -3.662 1.025 1.00 0.00 H new ATOM 0 HG1 THR A 77 8.606 -4.137 3.185 1.00 0.00 H new ATOM 0 HG21 THR A 77 8.646 -1.850 2.488 1.00 0.00 H new ATOM 0 HG22 THR A 77 7.314 -1.302 1.442 1.00 0.00 H new ATOM 0 HG23 THR A 77 7.008 -1.661 3.158 1.00 0.00 H new ATOM 1141 N TYR A 78 4.463 -1.699 0.793 1.00 0.00 N ATOM 1142 CA TYR A 78 4.000 -0.729 -0.193 1.00 0.00 C ATOM 1143 C TYR A 78 4.684 0.620 0.006 1.00 0.00 C ATOM 1144 O TYR A 78 5.079 0.972 1.118 1.00 0.00 O ATOM 1145 CB TYR A 78 2.482 -0.562 -0.101 1.00 0.00 C ATOM 1146 CG TYR A 78 1.714 -1.832 -0.396 1.00 0.00 C ATOM 1147 CD1 TYR A 78 1.802 -2.931 0.449 1.00 0.00 C ATOM 1148 CD2 TYR A 78 0.902 -1.931 -1.518 1.00 0.00 C ATOM 1149 CE1 TYR A 78 1.103 -4.093 0.184 1.00 0.00 C ATOM 1150 CE2 TYR A 78 0.198 -3.088 -1.790 1.00 0.00 C ATOM 1151 CZ TYR A 78 0.303 -4.167 -0.936 1.00 0.00 C ATOM 1152 OH TYR A 78 -0.396 -5.322 -1.205 1.00 0.00 O ATOM 0 H TYR A 78 4.030 -1.606 1.712 1.00 0.00 H new ATOM 0 HA TYR A 78 4.259 -1.104 -1.183 1.00 0.00 H new ATOM 0 HB2 TYR A 78 2.223 -0.215 0.899 1.00 0.00 H new ATOM 0 HB3 TYR A 78 2.167 0.214 -0.799 1.00 0.00 H new ATOM 0 HD1 TYR A 78 2.427 -2.876 1.328 1.00 0.00 H new ATOM 0 HD2 TYR A 78 0.819 -1.089 -2.189 1.00 0.00 H new ATOM 0 HE1 TYR A 78 1.183 -4.939 0.851 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -0.431 -3.148 -2.666 1.00 0.00 H new ATOM 0 HH TYR A 78 0.089 -6.091 -0.839 1.00 0.00 H new ATOM 1162 N THR A 79 4.820 1.373 -1.081 1.00 0.00 N ATOM 1163 CA THR A 79 5.456 2.683 -1.028 1.00 0.00 C ATOM 1164 C THR A 79 4.650 3.718 -1.804 1.00 0.00 C ATOM 1165 O THR A 79 4.435 3.574 -3.009 1.00 0.00 O ATOM 1166 CB THR A 79 6.889 2.635 -1.593 1.00 0.00 C ATOM 1167 OG1 THR A 79 7.709 1.791 -0.778 1.00 0.00 O ATOM 1168 CG2 THR A 79 7.492 4.030 -1.656 1.00 0.00 C ATOM 0 H THR A 79 4.498 1.098 -2.009 1.00 0.00 H new ATOM 0 HA THR A 79 5.497 2.972 0.022 1.00 0.00 H new ATOM 0 HB THR A 79 6.844 2.230 -2.604 1.00 0.00 H new ATOM 0 HG1 THR A 79 8.566 1.636 -1.227 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.504 3.971 -2.058 1.00 0.00 H new ATOM 0 HG22 THR A 79 6.881 4.662 -2.301 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.524 4.458 -0.654 1.00 0.00 H new ATOM 1176 N CYS A 80 4.207 4.759 -1.109 1.00 0.00 N ATOM 1177 CA CYS A 80 3.424 5.819 -1.734 1.00 0.00 C ATOM 1178 C CYS A 80 4.309 7.007 -2.098 1.00 0.00 C ATOM 1179 O CYS A 80 4.740 7.762 -1.227 1.00 0.00 O ATOM 1180 CB CYS A 80 2.301 6.271 -0.799 1.00 0.00 C ATOM 1181 SG CYS A 80 1.400 7.728 -1.378 1.00 0.00 S ATOM 0 H CYS A 80 4.377 4.892 -0.112 1.00 0.00 H new ATOM 0 HA CYS A 80 2.986 5.422 -2.650 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.597 5.449 -0.670 1.00 0.00 H new ATOM 0 HB3 CYS A 80 2.724 6.485 0.183 1.00 0.00 H new ATOM 0 HG CYS A 80 0.155 7.415 -1.584 1.00 0.00 H new ATOM 1187 N ASP A 81 4.576 7.164 -3.390 1.00 0.00 N ATOM 1188 CA ASP A 81 5.411 8.260 -3.870 1.00 0.00 C ATOM 1189 C ASP A 81 4.553 9.414 -4.379 1.00 0.00 C ATOM 1190 O ASP A 81 3.501 9.199 -4.982 1.00 0.00 O ATOM 1191 CB ASP A 81 6.342 7.772 -4.980 1.00 0.00 C ATOM 1192 CG ASP A 81 7.019 8.914 -5.712 1.00 0.00 C ATOM 1193 OD1 ASP A 81 7.687 9.733 -5.046 1.00 0.00 O ATOM 1194 OD2 ASP A 81 6.881 8.989 -6.951 1.00 0.00 O ATOM 0 H ASP A 81 4.227 6.547 -4.123 1.00 0.00 H new ATOM 0 HA ASP A 81 6.012 8.619 -3.035 1.00 0.00 H new ATOM 0 HB2 ASP A 81 7.101 7.118 -4.552 1.00 0.00 H new ATOM 0 HB3 ASP A 81 5.772 7.175 -5.692 1.00 0.00 H new ATOM 1199 N ILE A 82 5.008 10.637 -4.131 1.00 0.00 N ATOM 1200 CA ILE A 82 4.282 11.825 -4.565 1.00 0.00 C ATOM 1201 C ILE A 82 5.106 12.643 -5.553 1.00 0.00 C ATOM 1202 O ILE A 82 4.560 13.393 -6.361 1.00 0.00 O ATOM 1203 CB ILE A 82 3.898 12.717 -3.370 1.00 0.00 C ATOM 1204 CG1 ILE A 82 5.125 12.994 -2.498 1.00 0.00 C ATOM 1205 CG2 ILE A 82 2.796 12.062 -2.551 1.00 0.00 C ATOM 1206 CD1 ILE A 82 4.993 14.238 -1.647 1.00 0.00 C ATOM 0 H ILE A 82 5.876 10.832 -3.632 1.00 0.00 H new ATOM 0 HA ILE A 82 3.373 11.478 -5.056 1.00 0.00 H new ATOM 0 HB ILE A 82 3.524 13.667 -3.751 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.300 12.136 -1.849 1.00 0.00 H new ATOM 0 HG13 ILE A 82 6.001 13.093 -3.139 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.536 12.705 -1.710 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.917 11.912 -3.178 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.144 11.099 -2.177 1.00 0.00 H new ATOM 0 HD11 ILE A 82 5.899 14.372 -1.056 1.00 0.00 H new ATOM 0 HD12 ILE A 82 4.848 15.106 -2.291 1.00 0.00 H new ATOM 0 HD13 ILE A 82 4.137 14.134 -0.981 1.00 0.00 H new ATOM 1218 N GLY A 83 6.425 12.491 -5.483 1.00 0.00 N ATOM 1219 CA GLY A 83 7.304 13.221 -6.378 1.00 0.00 C ATOM 1220 C GLY A 83 8.554 13.721 -5.683 1.00 0.00 C ATOM 1221 O GLY A 83 9.602 13.872 -6.310 1.00 0.00 O ATOM 0 H GLY A 83 6.900 11.876 -4.823 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.588 12.576 -7.209 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.764 14.068 -6.802 1.00 0.00 H new ATOM 1225 N GLN A 84 8.444 13.979 -4.384 1.00 0.00 N ATOM 1226 CA GLN A 84 9.575 14.468 -3.603 1.00 0.00 C ATOM 1227 C GLN A 84 9.883 13.527 -2.443 1.00 0.00 C ATOM 1228 O GLN A 84 11.040 13.358 -2.059 1.00 0.00 O ATOM 1229 CB GLN A 84 9.286 15.873 -3.073 1.00 0.00 C ATOM 1230 CG GLN A 84 9.095 16.910 -4.168 1.00 0.00 C ATOM 1231 CD GLN A 84 10.313 17.050 -5.059 1.00 0.00 C ATOM 1232 OE1 GLN A 84 11.358 16.451 -4.800 1.00 0.00 O ATOM 1233 NE2 GLN A 84 10.186 17.843 -6.116 1.00 0.00 N ATOM 0 H GLN A 84 7.584 13.858 -3.850 1.00 0.00 H new ATOM 0 HA GLN A 84 10.446 14.506 -4.257 1.00 0.00 H new ATOM 0 HB2 GLN A 84 8.389 15.841 -2.454 1.00 0.00 H new ATOM 0 HB3 GLN A 84 10.108 16.185 -2.428 1.00 0.00 H new ATOM 0 HG2 GLN A 84 8.234 16.635 -4.777 1.00 0.00 H new ATOM 0 HG3 GLN A 84 8.869 17.875 -3.714 1.00 0.00 H new ATOM 0 HE21 GLN A 84 9.302 18.320 -6.293 1.00 0.00 H new ATOM 0 HE22 GLN A 84 10.973 17.975 -6.752 1.00 0.00 H new ATOM 1242 N ALA A 85 8.840 12.918 -1.889 1.00 0.00 N ATOM 1243 CA ALA A 85 8.999 11.993 -0.774 1.00 0.00 C ATOM 1244 C ALA A 85 8.187 10.721 -0.995 1.00 0.00 C ATOM 1245 O ALA A 85 7.358 10.654 -1.902 1.00 0.00 O ATOM 1246 CB ALA A 85 8.591 12.662 0.530 1.00 0.00 C ATOM 0 H ALA A 85 7.876 13.049 -2.194 1.00 0.00 H new ATOM 0 HA ALA A 85 10.051 11.715 -0.713 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.715 11.959 1.354 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.218 13.537 0.702 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.547 12.970 0.470 1.00 0.00 H new ATOM 1252 N GLN A 86 8.431 9.716 -0.160 1.00 0.00 N ATOM 1253 CA GLN A 86 7.722 8.446 -0.267 1.00 0.00 C ATOM 1254 C GLN A 86 7.566 7.794 1.103 1.00 0.00 C ATOM 1255 O GLN A 86 8.465 7.864 1.941 1.00 0.00 O ATOM 1256 CB GLN A 86 8.465 7.501 -1.213 1.00 0.00 C ATOM 1257 CG GLN A 86 8.922 8.166 -2.501 1.00 0.00 C ATOM 1258 CD GLN A 86 10.023 9.183 -2.274 1.00 0.00 C ATOM 1259 OE1 GLN A 86 10.972 8.932 -1.530 1.00 0.00 O ATOM 1260 NE2 GLN A 86 9.903 10.339 -2.916 1.00 0.00 N ATOM 0 H GLN A 86 9.113 9.756 0.597 1.00 0.00 H new ATOM 0 HA GLN A 86 6.729 8.645 -0.670 1.00 0.00 H new ATOM 0 HB2 GLN A 86 9.334 7.092 -0.697 1.00 0.00 H new ATOM 0 HB3 GLN A 86 7.815 6.661 -1.458 1.00 0.00 H new ATOM 0 HG2 GLN A 86 9.275 7.402 -3.194 1.00 0.00 H new ATOM 0 HG3 GLN A 86 8.071 8.657 -2.974 1.00 0.00 H new ATOM 0 HE21 GLN A 86 9.100 10.504 -3.523 1.00 0.00 H new ATOM 0 HE22 GLN A 86 10.614 11.062 -2.802 1.00 0.00 H new ATOM 1269 N SER A 87 6.419 7.160 1.324 1.00 0.00 N ATOM 1270 CA SER A 87 6.143 6.498 2.594 1.00 0.00 C ATOM 1271 C SER A 87 6.240 4.983 2.449 1.00 0.00 C ATOM 1272 O SER A 87 6.463 4.466 1.354 1.00 0.00 O ATOM 1273 CB SER A 87 4.754 6.886 3.104 1.00 0.00 C ATOM 1274 OG SER A 87 4.437 6.192 4.298 1.00 0.00 O ATOM 0 H SER A 87 5.666 7.091 0.640 1.00 0.00 H new ATOM 0 HA SER A 87 6.891 6.825 3.316 1.00 0.00 H new ATOM 0 HB2 SER A 87 4.716 7.960 3.283 1.00 0.00 H new ATOM 0 HB3 SER A 87 4.008 6.663 2.341 1.00 0.00 H new ATOM 0 HG SER A 87 4.140 6.831 4.979 1.00 0.00 H new ATOM 1280 N ARG A 88 6.070 4.276 3.562 1.00 0.00 N ATOM 1281 CA ARG A 88 6.140 2.820 3.560 1.00 0.00 C ATOM 1282 C ARG A 88 5.299 2.234 4.691 1.00 0.00 C ATOM 1283 O ARG A 88 5.285 2.761 5.804 1.00 0.00 O ATOM 1284 CB ARG A 88 7.591 2.357 3.697 1.00 0.00 C ATOM 1285 CG ARG A 88 8.330 2.268 2.371 1.00 0.00 C ATOM 1286 CD ARG A 88 9.436 1.226 2.418 1.00 0.00 C ATOM 1287 NE ARG A 88 10.119 1.095 1.134 1.00 0.00 N ATOM 1288 CZ ARG A 88 11.159 0.293 0.933 1.00 0.00 C ATOM 1289 NH1 ARG A 88 11.633 -0.445 1.928 1.00 0.00 N ATOM 1290 NH2 ARG A 88 11.727 0.228 -0.264 1.00 0.00 N ATOM 0 H ARG A 88 5.883 4.688 4.476 1.00 0.00 H new ATOM 0 HA ARG A 88 5.741 2.464 2.610 1.00 0.00 H new ATOM 0 HB2 ARG A 88 8.123 3.045 4.354 1.00 0.00 H new ATOM 0 HB3 ARG A 88 7.608 1.379 4.179 1.00 0.00 H new ATOM 0 HG2 ARG A 88 7.626 2.017 1.577 1.00 0.00 H new ATOM 0 HG3 ARG A 88 8.755 3.241 2.124 1.00 0.00 H new ATOM 0 HD2 ARG A 88 10.159 1.499 3.187 1.00 0.00 H new ATOM 0 HD3 ARG A 88 9.014 0.262 2.704 1.00 0.00 H new ATOM 0 HE ARG A 88 9.779 1.650 0.348 1.00 0.00 H new ATOM 0 HH11 ARG A 88 11.199 -0.398 2.850 1.00 0.00 H new ATOM 0 HH12 ARG A 88 12.432 -1.060 1.771 1.00 0.00 H new ATOM 0 HH21 ARG A 88 11.365 0.794 -1.032 1.00 0.00 H new ATOM 0 HH22 ARG A 88 12.525 -0.388 -0.417 1.00 0.00 H new ATOM 1304 N ALA A 89 4.600 1.143 4.398 1.00 0.00 N ATOM 1305 CA ALA A 89 3.759 0.485 5.390 1.00 0.00 C ATOM 1306 C ALA A 89 3.661 -1.012 5.121 1.00 0.00 C ATOM 1307 O ALA A 89 3.591 -1.441 3.970 1.00 0.00 O ATOM 1308 CB ALA A 89 2.373 1.112 5.406 1.00 0.00 C ATOM 0 H ALA A 89 4.599 0.696 3.481 1.00 0.00 H new ATOM 0 HA ALA A 89 4.219 0.622 6.368 1.00 0.00 H new ATOM 0 HB1 ALA A 89 1.756 0.611 6.151 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.455 2.170 5.655 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.914 1.005 4.423 1.00 0.00 H new ATOM 1314 N GLN A 90 3.658 -1.802 6.190 1.00 0.00 N ATOM 1315 CA GLN A 90 3.570 -3.252 6.068 1.00 0.00 C ATOM 1316 C GLN A 90 2.128 -3.726 6.223 1.00 0.00 C ATOM 1317 O GLN A 90 1.410 -3.279 7.118 1.00 0.00 O ATOM 1318 CB GLN A 90 4.456 -3.928 7.116 1.00 0.00 C ATOM 1319 CG GLN A 90 5.940 -3.856 6.795 1.00 0.00 C ATOM 1320 CD GLN A 90 6.736 -4.961 7.462 1.00 0.00 C ATOM 1321 OE1 GLN A 90 6.350 -5.471 8.514 1.00 0.00 O ATOM 1322 NE2 GLN A 90 7.853 -5.338 6.852 1.00 0.00 N ATOM 0 H GLN A 90 3.715 -1.462 7.150 1.00 0.00 H new ATOM 0 HA GLN A 90 3.919 -3.529 5.073 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.279 -3.461 8.085 1.00 0.00 H new ATOM 0 HB3 GLN A 90 4.163 -4.974 7.208 1.00 0.00 H new ATOM 0 HG2 GLN A 90 6.078 -3.915 5.715 1.00 0.00 H new ATOM 0 HG3 GLN A 90 6.330 -2.889 7.113 1.00 0.00 H new ATOM 0 HE21 GLN A 90 8.135 -4.888 5.981 1.00 0.00 H new ATOM 0 HE22 GLN A 90 8.429 -6.078 7.254 1.00 0.00 H new ATOM 1331 N LEU A 91 1.711 -4.631 5.345 1.00 0.00 N ATOM 1332 CA LEU A 91 0.354 -5.165 5.383 1.00 0.00 C ATOM 1333 C LEU A 91 0.346 -6.593 5.920 1.00 0.00 C ATOM 1334 O LEU A 91 1.231 -7.390 5.607 1.00 0.00 O ATOM 1335 CB LEU A 91 -0.269 -5.130 3.986 1.00 0.00 C ATOM 1336 CG LEU A 91 -1.604 -5.858 3.829 1.00 0.00 C ATOM 1337 CD1 LEU A 91 -2.693 -5.154 4.625 1.00 0.00 C ATOM 1338 CD2 LEU A 91 -1.991 -5.950 2.360 1.00 0.00 C ATOM 0 H LEU A 91 2.293 -5.011 4.598 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.237 -4.541 6.053 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.410 -4.088 3.699 1.00 0.00 H new ATOM 0 HB3 LEU A 91 0.442 -5.561 3.282 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.493 -6.869 4.220 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.636 -5.686 4.501 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.420 -5.139 5.680 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.804 -4.131 4.265 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.944 -6.471 2.267 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.084 -4.947 1.945 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.223 -6.498 1.815 1.00 0.00 H new ATOM 1350 N LEU A 92 -0.660 -6.909 6.729 1.00 0.00 N ATOM 1351 CA LEU A 92 -0.785 -8.242 7.308 1.00 0.00 C ATOM 1352 C LEU A 92 -2.100 -8.895 6.893 1.00 0.00 C ATOM 1353 O LEU A 92 -3.179 -8.425 7.253 1.00 0.00 O ATOM 1354 CB LEU A 92 -0.699 -8.167 8.833 1.00 0.00 C ATOM 1355 CG LEU A 92 -1.067 -9.444 9.590 1.00 0.00 C ATOM 1356 CD1 LEU A 92 -0.137 -10.582 9.200 1.00 0.00 C ATOM 1357 CD2 LEU A 92 -1.020 -9.205 11.092 1.00 0.00 C ATOM 0 H LEU A 92 -1.400 -6.261 6.998 1.00 0.00 H new ATOM 0 HA LEU A 92 0.037 -8.852 6.933 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.318 -7.887 9.106 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.353 -7.365 9.175 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.085 -9.725 9.318 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.414 -11.482 9.748 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.220 -10.769 8.129 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.891 -10.311 9.442 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.285 -10.124 11.615 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.014 -8.900 11.381 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.728 -8.420 11.358 1.00 0.00 H new ATOM 1369 N VAL A 93 -2.002 -9.982 6.135 1.00 0.00 N ATOM 1370 CA VAL A 93 -3.183 -10.702 5.674 1.00 0.00 C ATOM 1371 C VAL A 93 -3.474 -11.907 6.561 1.00 0.00 C ATOM 1372 O VAL A 93 -2.866 -12.966 6.405 1.00 0.00 O ATOM 1373 CB VAL A 93 -3.016 -11.179 4.218 1.00 0.00 C ATOM 1374 CG1 VAL A 93 -4.234 -11.975 3.775 1.00 0.00 C ATOM 1375 CG2 VAL A 93 -2.778 -9.994 3.294 1.00 0.00 C ATOM 0 H VAL A 93 -1.116 -10.384 5.827 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.019 -10.005 5.728 1.00 0.00 H new ATOM 0 HB VAL A 93 -2.145 -11.833 4.165 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.099 -12.304 2.745 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -4.355 -12.845 4.421 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -5.123 -11.348 3.842 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.662 -10.349 2.270 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.628 -9.314 3.349 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.873 -9.469 3.601 1.00 0.00 H new ATOM 1385 N GLN A 94 -4.407 -11.737 7.492 1.00 0.00 N ATOM 1386 CA GLN A 94 -4.778 -12.812 8.405 1.00 0.00 C ATOM 1387 C GLN A 94 -5.578 -13.890 7.681 1.00 0.00 C ATOM 1388 O GLN A 94 -6.669 -13.633 7.175 1.00 0.00 O ATOM 1389 CB GLN A 94 -5.592 -12.256 9.575 1.00 0.00 C ATOM 1390 CG GLN A 94 -4.766 -11.445 10.560 1.00 0.00 C ATOM 1391 CD GLN A 94 -5.359 -11.442 11.956 1.00 0.00 C ATOM 1392 OE1 GLN A 94 -6.567 -11.281 12.130 1.00 0.00 O ATOM 1393 NE2 GLN A 94 -4.509 -11.622 12.960 1.00 0.00 N ATOM 0 H GLN A 94 -4.919 -10.866 7.634 1.00 0.00 H new ATOM 0 HA GLN A 94 -3.862 -13.262 8.789 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -6.394 -11.630 9.184 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -6.064 -13.084 10.104 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -3.755 -11.850 10.600 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -4.685 -10.419 10.202 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -3.515 -11.752 12.770 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -4.850 -11.631 13.921 1.00 0.00 H new