USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 600 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 76 THR OG1 : rot -110:sc= 0.625! USER MOD Set 1.2: A 85 TYR OH : rot -82:sc= 0.585 USER MOD Single : A 16 SER OG : rot 135:sc= 0.388 USER MOD Single : A 20 HIS : no HD1:sc= -5.5! C(o=-5.5!,f=-6.8!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -58:sc= -3.45! USER MOD Single : A 35 SER OG : rot 115:sc= 0.931 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -1.86! USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 MET CE :methyl -141:sc= -4.23 (180deg=-6.68!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -3.01! C(o=-3!,f=-3.3!) USER MOD Single : A 54 GLN : amide:sc= -1.02 K(o=-1,f=-4.6!) USER MOD Single : A 59 MET CE :methyl -171:sc= -2.61! (180deg=-3.02!) USER MOD Single : A 60 ASN : amide:sc= -14.1! C(o=-14!,f=-26!) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.842! USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot 73:sc= 1.15 USER MOD Single : A 68 MET CE :methyl -125:sc= -3.05! (180deg=-3.18!) USER MOD Single : A 70 ASN : amide:sc= -0.0322 K(o=-0.032,f=-1.5) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 98:sc= -0.913 USER MOD Single : A 73 THR OG1 : rot 16:sc= 1.05 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 87 GLN : amide:sc= -0.0732 X(o=-0.073,f=0) USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 16 -11.708 5.076 1.255 1.00 0.00 N ATOM 49 CA SER A 16 -10.335 4.600 1.122 1.00 0.00 C ATOM 50 C SER A 16 -9.798 4.111 2.464 1.00 0.00 C ATOM 51 O SER A 16 -9.723 4.872 3.428 1.00 0.00 O ATOM 52 CB SER A 16 -9.440 5.711 0.573 1.00 0.00 C ATOM 53 OG SER A 16 -8.458 5.188 -0.304 1.00 0.00 O ATOM 0 HA SER A 16 -10.331 3.763 0.424 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.049 6.446 0.046 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.955 6.232 1.398 1.00 0.00 H new ATOM 0 HG SER A 16 -8.409 5.745 -1.109 1.00 0.00 H new ATOM 59 N ARG A 17 -9.423 2.837 2.517 1.00 0.00 N ATOM 60 CA ARG A 17 -8.892 2.246 3.740 1.00 0.00 C ATOM 61 C ARG A 17 -7.711 1.329 3.434 1.00 0.00 C ATOM 62 O ARG A 17 -6.610 1.528 3.945 1.00 0.00 O ATOM 63 CB ARG A 17 -9.985 1.464 4.471 1.00 0.00 C ATOM 64 CG ARG A 17 -9.955 1.643 5.980 1.00 0.00 C ATOM 65 CD ARG A 17 -11.321 1.392 6.598 1.00 0.00 C ATOM 66 NE ARG A 17 -11.224 0.988 7.998 1.00 0.00 N ATOM 67 CZ ARG A 17 -10.862 1.810 8.977 1.00 0.00 C ATOM 68 NH1 ARG A 17 -10.562 3.074 8.709 1.00 0.00 N ATOM 69 NH2 ARG A 17 -10.798 1.370 10.226 1.00 0.00 N ATOM 0 H ARG A 17 -9.477 2.194 1.727 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.543 3.055 4.382 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.959 1.779 4.095 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -9.881 0.405 4.237 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.227 0.958 6.414 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -9.626 2.654 6.221 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -11.924 2.297 6.523 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -11.838 0.617 6.032 1.00 0.00 H new ATOM 0 HE ARG A 17 -11.446 0.022 8.237 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -10.609 3.417 7.750 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -10.284 3.703 9.462 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -11.027 0.399 10.437 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -10.520 2.003 10.976 1.00 0.00 H new ATOM 83 N VAL A 18 -7.951 0.325 2.597 1.00 0.00 N ATOM 84 CA VAL A 18 -6.907 -0.623 2.223 1.00 0.00 C ATOM 85 C VAL A 18 -6.133 -0.134 1.005 1.00 0.00 C ATOM 86 O VAL A 18 -6.626 -0.195 -0.122 1.00 0.00 O ATOM 87 CB VAL A 18 -7.496 -2.014 1.919 1.00 0.00 C ATOM 88 CG1 VAL A 18 -8.530 -1.926 0.807 1.00 0.00 C ATOM 89 CG2 VAL A 18 -6.390 -2.993 1.552 1.00 0.00 C ATOM 0 H VAL A 18 -8.858 0.147 2.165 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.229 -0.701 3.073 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.993 -2.382 2.817 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -8.934 -2.918 0.607 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -9.337 -1.260 1.112 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.061 -1.536 -0.096 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -6.824 -3.970 1.341 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.862 -2.632 0.669 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.690 -3.079 2.383 1.00 0.00 H new ATOM 99 N ILE A 19 -4.916 0.348 1.237 1.00 0.00 N ATOM 100 CA ILE A 19 -4.073 0.846 0.158 1.00 0.00 C ATOM 101 C ILE A 19 -3.316 -0.291 -0.518 1.00 0.00 C ATOM 102 O ILE A 19 -2.510 -0.975 0.113 1.00 0.00 O ATOM 103 CB ILE A 19 -3.060 1.887 0.669 1.00 0.00 C ATOM 104 CG1 ILE A 19 -3.784 3.024 1.392 1.00 0.00 C ATOM 105 CG2 ILE A 19 -2.230 2.430 -0.485 1.00 0.00 C ATOM 106 CD1 ILE A 19 -4.822 3.719 0.538 1.00 0.00 C ATOM 0 H ILE A 19 -4.492 0.404 2.163 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.736 1.320 -0.566 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.389 1.401 1.377 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.267 2.627 2.285 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.050 3.757 1.726 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.519 3.165 -0.108 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.689 1.612 -0.960 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.887 2.903 -1.215 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.295 4.514 1.115 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.342 4.146 -0.342 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.578 2.998 0.225 1.00 0.00 H new ATOM 118 N HIS A 20 -3.581 -0.488 -1.806 1.00 0.00 N ATOM 119 CA HIS A 20 -2.923 -1.543 -2.566 1.00 0.00 C ATOM 120 C HIS A 20 -1.549 -1.090 -3.050 1.00 0.00 C ATOM 121 O HIS A 20 -1.311 0.103 -3.242 1.00 0.00 O ATOM 122 CB HIS A 20 -3.786 -1.955 -3.760 1.00 0.00 C ATOM 123 CG HIS A 20 -3.505 -3.340 -4.253 1.00 0.00 C ATOM 124 ND1 HIS A 20 -3.524 -3.682 -5.588 1.00 0.00 N ATOM 125 CD2 HIS A 20 -3.194 -4.474 -3.580 1.00 0.00 C ATOM 126 CE1 HIS A 20 -3.239 -4.966 -5.716 1.00 0.00 C ATOM 127 NE2 HIS A 20 -3.033 -5.469 -4.513 1.00 0.00 N ATOM 0 H HIS A 20 -4.246 0.068 -2.344 1.00 0.00 H new ATOM 0 HA HIS A 20 -2.792 -2.402 -1.908 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -4.837 -1.884 -3.480 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.625 -1.249 -4.575 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -3.092 -4.576 -2.510 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -3.184 -5.511 -6.647 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -2.793 -6.439 -4.309 1.00 0.00 H new ATOM 136 N ILE A 21 -0.650 -2.048 -3.245 1.00 0.00 N ATOM 137 CA ILE A 21 0.700 -1.748 -3.705 1.00 0.00 C ATOM 138 C ILE A 21 1.023 -2.505 -4.989 1.00 0.00 C ATOM 139 O ILE A 21 1.171 -3.727 -4.980 1.00 0.00 O ATOM 140 CB ILE A 21 1.751 -2.102 -2.635 1.00 0.00 C ATOM 141 CG1 ILE A 21 1.157 -1.961 -1.230 1.00 0.00 C ATOM 142 CG2 ILE A 21 2.980 -1.218 -2.788 1.00 0.00 C ATOM 143 CD1 ILE A 21 1.090 -0.531 -0.742 1.00 0.00 C ATOM 0 H ILE A 21 -0.832 -3.040 -3.091 1.00 0.00 H new ATOM 0 HA ILE A 21 0.737 -0.676 -3.898 1.00 0.00 H new ATOM 0 HB ILE A 21 2.052 -3.140 -2.776 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.153 -2.385 -1.225 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.754 -2.547 -0.531 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.714 -1.480 -2.025 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.415 -1.367 -3.776 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.693 -0.173 -2.672 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.659 -0.508 0.259 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.094 -0.109 -0.714 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.468 0.056 -1.418 1.00 0.00 H new ATOM 155 N ARG A 22 1.134 -1.772 -6.092 1.00 0.00 N ATOM 156 CA ARG A 22 1.443 -2.376 -7.384 1.00 0.00 C ATOM 157 C ARG A 22 2.918 -2.200 -7.727 1.00 0.00 C ATOM 158 O ARG A 22 3.640 -1.476 -7.041 1.00 0.00 O ATOM 159 CB ARG A 22 0.573 -1.760 -8.481 1.00 0.00 C ATOM 160 CG ARG A 22 -0.550 -2.671 -8.950 1.00 0.00 C ATOM 161 CD ARG A 22 -0.197 -3.361 -10.258 1.00 0.00 C ATOM 162 NE ARG A 22 -1.385 -3.686 -11.042 1.00 0.00 N ATOM 163 CZ ARG A 22 -1.408 -4.616 -11.993 1.00 0.00 C ATOM 164 NH1 ARG A 22 -0.312 -5.305 -12.275 1.00 0.00 N ATOM 165 NH2 ARG A 22 -2.528 -4.854 -12.661 1.00 0.00 N ATOM 0 H ARG A 22 1.015 -0.759 -6.118 1.00 0.00 H new ATOM 0 HA ARG A 22 1.229 -3.443 -7.319 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.144 -0.828 -8.113 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.203 -1.506 -9.333 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.755 -3.421 -8.186 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.463 -2.089 -9.079 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.458 -2.716 -10.843 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.360 -4.274 -10.048 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.245 -3.172 -10.850 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.551 -5.123 -11.763 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.331 -6.018 -13.004 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.373 -4.324 -12.446 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.545 -5.567 -13.390 1.00 0.00 H new ATOM 179 N LYS A 23 3.362 -2.865 -8.788 1.00 0.00 N ATOM 180 CA LYS A 23 4.754 -2.776 -9.209 1.00 0.00 C ATOM 181 C LYS A 23 5.678 -2.883 -8.004 1.00 0.00 C ATOM 182 O LYS A 23 6.676 -2.170 -7.908 1.00 0.00 O ATOM 183 CB LYS A 23 5.007 -1.456 -9.937 1.00 0.00 C ATOM 184 CG LYS A 23 5.625 -1.632 -11.315 1.00 0.00 C ATOM 185 CD LYS A 23 6.046 -0.298 -11.908 1.00 0.00 C ATOM 186 CE LYS A 23 5.152 0.101 -13.071 1.00 0.00 C ATOM 187 NZ LYS A 23 5.442 1.482 -13.547 1.00 0.00 N ATOM 0 H LYS A 23 2.781 -3.469 -9.369 1.00 0.00 H new ATOM 0 HA LYS A 23 4.960 -3.602 -9.890 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.064 -0.919 -10.036 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.665 -0.835 -9.329 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.491 -2.291 -11.246 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.908 -2.117 -11.978 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.008 0.472 -11.138 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.080 -0.359 -12.247 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.290 -0.602 -13.892 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.108 0.034 -12.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.811 1.715 -14.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.286 2.157 -12.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.431 1.540 -13.863 1.00 0.00 H new ATOM 201 N LEU A 24 5.332 -3.772 -7.079 1.00 0.00 N ATOM 202 CA LEU A 24 6.126 -3.959 -5.874 1.00 0.00 C ATOM 203 C LEU A 24 6.568 -5.408 -5.721 1.00 0.00 C ATOM 204 O LEU A 24 5.741 -6.307 -5.567 1.00 0.00 O ATOM 205 CB LEU A 24 5.323 -3.539 -4.643 1.00 0.00 C ATOM 206 CG LEU A 24 5.972 -3.889 -3.303 1.00 0.00 C ATOM 207 CD1 LEU A 24 6.951 -2.804 -2.885 1.00 0.00 C ATOM 208 CD2 LEU A 24 4.913 -4.092 -2.231 1.00 0.00 C ATOM 0 H LEU A 24 4.509 -4.372 -7.142 1.00 0.00 H new ATOM 0 HA LEU A 24 7.015 -3.335 -5.962 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.162 -2.462 -4.682 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.341 -4.010 -4.689 1.00 0.00 H new ATOM 0 HG LEU A 24 6.522 -4.822 -3.423 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.403 -3.070 -1.929 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.731 -2.707 -3.641 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.422 -1.856 -2.785 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.395 -4.340 -1.286 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.334 -3.176 -2.114 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.250 -4.906 -2.524 1.00 0.00 H new ATOM 220 N PRO A 25 7.885 -5.652 -5.741 1.00 0.00 N ATOM 221 CA PRO A 25 8.432 -6.997 -5.583 1.00 0.00 C ATOM 222 C PRO A 25 8.177 -7.534 -4.182 1.00 0.00 C ATOM 223 O PRO A 25 9.089 -7.590 -3.357 1.00 0.00 O ATOM 224 CB PRO A 25 9.933 -6.811 -5.826 1.00 0.00 C ATOM 225 CG PRO A 25 10.193 -5.376 -5.521 1.00 0.00 C ATOM 226 CD PRO A 25 8.940 -4.636 -5.898 1.00 0.00 C ATOM 0 HA PRO A 25 7.976 -7.715 -6.264 1.00 0.00 H new ATOM 0 HB2 PRO A 25 10.522 -7.465 -5.183 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.200 -7.051 -6.855 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.424 -5.238 -4.465 1.00 0.00 H new ATOM 0 HG3 PRO A 25 11.049 -5.006 -6.086 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.770 -3.776 -5.250 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.987 -4.260 -6.920 1.00 0.00 H new ATOM 234 N ILE A 26 6.926 -7.908 -3.922 1.00 0.00 N ATOM 235 CA ILE A 26 6.527 -8.429 -2.619 1.00 0.00 C ATOM 236 C ILE A 26 7.680 -9.153 -1.939 1.00 0.00 C ATOM 237 O ILE A 26 8.545 -9.720 -2.606 1.00 0.00 O ATOM 238 CB ILE A 26 5.313 -9.368 -2.741 1.00 0.00 C ATOM 239 CG1 ILE A 26 4.095 -8.581 -3.220 1.00 0.00 C ATOM 240 CG2 ILE A 26 5.016 -10.042 -1.412 1.00 0.00 C ATOM 241 CD1 ILE A 26 3.581 -7.589 -2.199 1.00 0.00 C ATOM 0 H ILE A 26 6.168 -7.859 -4.602 1.00 0.00 H new ATOM 0 HA ILE A 26 6.243 -7.576 -2.003 1.00 0.00 H new ATOM 0 HB ILE A 26 5.546 -10.144 -3.470 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.353 -8.048 -4.135 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.297 -9.279 -3.471 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.154 -10.701 -1.523 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.881 -10.626 -1.099 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.799 -9.284 -0.660 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.716 -7.065 -2.605 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.292 -8.118 -1.291 1.00 0.00 H new ATOM 0 HD13 ILE A 26 4.365 -6.868 -1.965 1.00 0.00 H new ATOM 253 N ASP A 27 7.691 -9.090 -0.609 1.00 0.00 N ATOM 254 CA ASP A 27 8.737 -9.690 0.210 1.00 0.00 C ATOM 255 C ASP A 27 9.720 -8.612 0.658 1.00 0.00 C ATOM 256 O ASP A 27 10.781 -8.906 1.209 1.00 0.00 O ATOM 257 CB ASP A 27 9.463 -10.812 -0.539 1.00 0.00 C ATOM 258 CG ASP A 27 10.671 -10.321 -1.319 1.00 0.00 C ATOM 259 OD1 ASP A 27 10.668 -9.145 -1.741 1.00 0.00 O ATOM 260 OD2 ASP A 27 11.618 -11.113 -1.507 1.00 0.00 O ATOM 0 H ASP A 27 6.968 -8.617 -0.067 1.00 0.00 H new ATOM 0 HA ASP A 27 8.272 -10.137 1.089 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.783 -11.571 0.176 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.766 -11.294 -1.225 1.00 0.00 H new ATOM 265 N VAL A 28 9.341 -7.353 0.427 1.00 0.00 N ATOM 266 CA VAL A 28 10.164 -6.217 0.813 1.00 0.00 C ATOM 267 C VAL A 28 10.240 -6.125 2.329 1.00 0.00 C ATOM 268 O VAL A 28 10.140 -7.136 3.022 1.00 0.00 O ATOM 269 CB VAL A 28 9.609 -4.892 0.241 1.00 0.00 C ATOM 270 CG1 VAL A 28 10.737 -3.906 -0.027 1.00 0.00 C ATOM 271 CG2 VAL A 28 8.811 -5.142 -1.031 1.00 0.00 C ATOM 0 H VAL A 28 8.464 -7.099 -0.028 1.00 0.00 H new ATOM 0 HA VAL A 28 11.161 -6.373 0.401 1.00 0.00 H new ATOM 0 HB VAL A 28 8.941 -4.459 0.985 1.00 0.00 H new ATOM 0 HG11 VAL A 28 10.324 -2.981 -0.429 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.264 -3.694 0.903 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.433 -4.336 -0.748 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.431 -4.195 -1.414 1.00 0.00 H new ATOM 0 HG22 VAL A 28 9.455 -5.604 -1.779 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.975 -5.806 -0.811 1.00 0.00 H new ATOM 281 N THR A 29 10.419 -4.920 2.844 1.00 0.00 N ATOM 282 CA THR A 29 10.505 -4.731 4.284 1.00 0.00 C ATOM 283 C THR A 29 9.485 -3.715 4.778 1.00 0.00 C ATOM 284 O THR A 29 9.179 -2.739 4.092 1.00 0.00 O ATOM 285 CB THR A 29 11.913 -4.280 4.713 1.00 0.00 C ATOM 286 OG1 THR A 29 12.214 -3.001 4.144 1.00 0.00 O ATOM 287 CG2 THR A 29 12.962 -5.294 4.278 1.00 0.00 C ATOM 0 H THR A 29 10.507 -4.066 2.294 1.00 0.00 H new ATOM 0 HA THR A 29 10.289 -5.700 4.735 1.00 0.00 H new ATOM 0 HB THR A 29 11.930 -4.206 5.800 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.150 -3.054 3.168 1.00 0.00 H new ATOM 0 HG21 THR A 29 13.949 -4.954 4.592 1.00 0.00 H new ATOM 0 HG22 THR A 29 12.748 -6.259 4.737 1.00 0.00 H new ATOM 0 HG23 THR A 29 12.942 -5.396 3.193 1.00 0.00 H new ATOM 295 N GLU A 30 8.965 -3.952 5.977 1.00 0.00 N ATOM 296 CA GLU A 30 7.981 -3.059 6.573 1.00 0.00 C ATOM 297 C GLU A 30 8.581 -1.678 6.802 1.00 0.00 C ATOM 298 O GLU A 30 8.145 -0.694 6.203 1.00 0.00 O ATOM 299 CB GLU A 30 7.473 -3.635 7.896 1.00 0.00 C ATOM 300 CG GLU A 30 6.830 -5.005 7.756 1.00 0.00 C ATOM 301 CD GLU A 30 6.076 -5.424 9.003 1.00 0.00 C ATOM 302 OE1 GLU A 30 6.131 -4.683 10.007 1.00 0.00 O ATOM 303 OE2 GLU A 30 5.432 -6.494 8.976 1.00 0.00 O ATOM 0 H GLU A 30 9.209 -4.756 6.555 1.00 0.00 H new ATOM 0 HA GLU A 30 7.142 -2.965 5.884 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.305 -3.703 8.596 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.748 -2.945 8.329 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.146 -4.996 6.908 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.601 -5.744 7.536 1.00 0.00 H new ATOM 310 N GLY A 31 9.589 -1.610 7.664 1.00 0.00 N ATOM 311 CA GLY A 31 10.229 -0.341 7.943 1.00 0.00 C ATOM 312 C GLY A 31 10.387 0.496 6.691 1.00 0.00 C ATOM 313 O GLY A 31 10.347 1.724 6.746 1.00 0.00 O ATOM 0 H GLY A 31 9.972 -2.407 8.172 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.640 0.210 8.677 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.208 -0.518 8.388 1.00 0.00 H new ATOM 317 N GLU A 32 10.556 -0.176 5.557 1.00 0.00 N ATOM 318 CA GLU A 32 10.709 0.504 4.277 1.00 0.00 C ATOM 319 C GLU A 32 9.349 0.945 3.748 1.00 0.00 C ATOM 320 O GLU A 32 9.082 2.139 3.610 1.00 0.00 O ATOM 321 CB GLU A 32 11.394 -0.413 3.264 1.00 0.00 C ATOM 322 CG GLU A 32 12.909 -0.427 3.382 1.00 0.00 C ATOM 323 CD GLU A 32 13.562 0.725 2.642 1.00 0.00 C ATOM 324 OE1 GLU A 32 12.911 1.780 2.494 1.00 0.00 O ATOM 325 OE2 GLU A 32 14.724 0.571 2.212 1.00 0.00 O ATOM 0 H GLU A 32 10.590 -1.194 5.499 1.00 0.00 H new ATOM 0 HA GLU A 32 11.332 1.386 4.426 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.019 -1.428 3.394 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.119 -0.098 2.257 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.188 -0.383 4.435 1.00 0.00 H new ATOM 0 HG3 GLU A 32 13.292 -1.369 2.990 1.00 0.00 H new ATOM 332 N VAL A 33 8.488 -0.027 3.462 1.00 0.00 N ATOM 333 CA VAL A 33 7.153 0.263 2.960 1.00 0.00 C ATOM 334 C VAL A 33 6.406 1.173 3.930 1.00 0.00 C ATOM 335 O VAL A 33 6.058 2.307 3.592 1.00 0.00 O ATOM 336 CB VAL A 33 6.340 -1.028 2.747 1.00 0.00 C ATOM 337 CG1 VAL A 33 4.965 -0.708 2.182 1.00 0.00 C ATOM 338 CG2 VAL A 33 7.091 -1.985 1.832 1.00 0.00 C ATOM 0 H VAL A 33 8.692 -1.020 3.570 1.00 0.00 H new ATOM 0 HA VAL A 33 7.267 0.765 2.000 1.00 0.00 H new ATOM 0 HB VAL A 33 6.205 -1.514 3.713 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.406 -1.633 2.039 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.427 -0.063 2.877 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.075 -0.198 1.225 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.503 -2.892 1.692 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.259 -1.509 0.866 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.050 -2.241 2.282 1.00 0.00 H new ATOM 348 N ILE A 34 6.172 0.677 5.140 1.00 0.00 N ATOM 349 CA ILE A 34 5.484 1.445 6.160 1.00 0.00 C ATOM 350 C ILE A 34 6.050 2.857 6.254 1.00 0.00 C ATOM 351 O ILE A 34 5.302 3.834 6.275 1.00 0.00 O ATOM 352 CB ILE A 34 5.607 0.757 7.525 1.00 0.00 C ATOM 353 CG1 ILE A 34 5.387 -0.748 7.371 1.00 0.00 C ATOM 354 CG2 ILE A 34 4.611 1.353 8.499 1.00 0.00 C ATOM 355 CD1 ILE A 34 4.890 -1.419 8.628 1.00 0.00 C ATOM 0 H ILE A 34 6.452 -0.258 5.435 1.00 0.00 H new ATOM 0 HA ILE A 34 4.433 1.504 5.878 1.00 0.00 H new ATOM 0 HB ILE A 34 6.610 0.919 7.921 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.670 -0.921 6.569 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.324 -1.214 7.067 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.706 0.858 9.465 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.809 2.418 8.616 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.600 1.212 8.117 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.757 -2.485 8.443 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.617 -1.277 9.428 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.937 -0.980 8.922 1.00 0.00 H new ATOM 367 N SER A 35 7.375 2.957 6.304 1.00 0.00 N ATOM 368 CA SER A 35 8.037 4.253 6.387 1.00 0.00 C ATOM 369 C SER A 35 7.377 5.247 5.441 1.00 0.00 C ATOM 370 O SER A 35 7.012 6.353 5.840 1.00 0.00 O ATOM 371 CB SER A 35 9.522 4.116 6.048 1.00 0.00 C ATOM 372 OG SER A 35 10.306 4.009 7.225 1.00 0.00 O ATOM 0 H SER A 35 8.009 2.158 6.289 1.00 0.00 H new ATOM 0 HA SER A 35 7.942 4.623 7.408 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.676 3.236 5.423 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.847 4.980 5.468 1.00 0.00 H new ATOM 0 HG SER A 35 10.730 3.126 7.256 1.00 0.00 H new ATOM 378 N LEU A 36 7.217 4.839 4.186 1.00 0.00 N ATOM 379 CA LEU A 36 6.590 5.688 3.183 1.00 0.00 C ATOM 380 C LEU A 36 5.191 6.090 3.632 1.00 0.00 C ATOM 381 O LEU A 36 4.710 7.176 3.310 1.00 0.00 O ATOM 382 CB LEU A 36 6.520 4.962 1.838 1.00 0.00 C ATOM 383 CG LEU A 36 7.737 5.154 0.934 1.00 0.00 C ATOM 384 CD1 LEU A 36 9.014 5.200 1.759 1.00 0.00 C ATOM 385 CD2 LEU A 36 7.810 4.044 -0.104 1.00 0.00 C ATOM 0 H LEU A 36 7.513 3.926 3.841 1.00 0.00 H new ATOM 0 HA LEU A 36 7.194 6.587 3.065 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.390 3.896 2.024 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.633 5.303 1.304 1.00 0.00 H new ATOM 0 HG LEU A 36 7.632 6.106 0.413 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.870 5.337 1.098 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.963 6.031 2.463 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.126 4.265 2.308 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.683 4.197 -0.739 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.891 3.080 0.399 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.908 4.059 -0.716 1.00 0.00 H new ATOM 397 N GLY A 37 4.545 5.203 4.382 1.00 0.00 N ATOM 398 CA GLY A 37 3.208 5.477 4.873 1.00 0.00 C ATOM 399 C GLY A 37 3.220 6.157 6.228 1.00 0.00 C ATOM 400 O GLY A 37 2.216 6.728 6.652 1.00 0.00 O ATOM 0 H GLY A 37 4.925 4.298 4.659 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.683 6.109 4.157 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.651 4.543 4.943 1.00 0.00 H new ATOM 404 N LEU A 38 4.361 6.098 6.908 1.00 0.00 N ATOM 405 CA LEU A 38 4.501 6.714 8.222 1.00 0.00 C ATOM 406 C LEU A 38 3.989 8.152 8.209 1.00 0.00 C ATOM 407 O LEU A 38 3.107 8.511 8.988 1.00 0.00 O ATOM 408 CB LEU A 38 5.962 6.678 8.673 1.00 0.00 C ATOM 409 CG LEU A 38 6.430 5.338 9.240 1.00 0.00 C ATOM 410 CD1 LEU A 38 7.867 5.435 9.724 1.00 0.00 C ATOM 411 CD2 LEU A 38 5.512 4.890 10.368 1.00 0.00 C ATOM 0 H LEU A 38 5.202 5.630 6.570 1.00 0.00 H new ATOM 0 HA LEU A 38 3.899 6.144 8.929 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.595 6.937 7.824 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.112 7.448 9.430 1.00 0.00 H new ATOM 0 HG LEU A 38 6.388 4.593 8.446 1.00 0.00 H new ATOM 0 HD11 LEU A 38 8.182 4.471 10.124 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.514 5.711 8.891 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.938 6.192 10.505 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.858 3.934 10.761 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.523 5.635 11.164 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.496 4.779 9.988 1.00 0.00 H new ATOM 423 N PRO A 39 4.535 8.998 7.318 1.00 0.00 N ATOM 424 CA PRO A 39 4.124 10.402 7.209 1.00 0.00 C ATOM 425 C PRO A 39 2.669 10.542 6.776 1.00 0.00 C ATOM 426 O PRO A 39 2.054 11.592 6.957 1.00 0.00 O ATOM 427 CB PRO A 39 5.058 10.974 6.139 1.00 0.00 C ATOM 428 CG PRO A 39 5.528 9.789 5.366 1.00 0.00 C ATOM 429 CD PRO A 39 5.589 8.655 6.349 1.00 0.00 C ATOM 0 HA PRO A 39 4.192 10.920 8.166 1.00 0.00 H new ATOM 0 HB2 PRO A 39 4.535 11.683 5.497 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.894 11.509 6.590 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.845 9.560 4.548 1.00 0.00 H new ATOM 0 HG3 PRO A 39 6.506 9.975 4.922 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.399 7.695 5.869 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.567 8.586 6.825 1.00 0.00 H new ATOM 437 N PHE A 40 2.124 9.473 6.205 1.00 0.00 N ATOM 438 CA PHE A 40 0.741 9.472 5.747 1.00 0.00 C ATOM 439 C PHE A 40 -0.215 9.313 6.921 1.00 0.00 C ATOM 440 O PHE A 40 -1.415 9.553 6.799 1.00 0.00 O ATOM 441 CB PHE A 40 0.525 8.345 4.734 1.00 0.00 C ATOM 442 CG PHE A 40 1.118 8.643 3.387 1.00 0.00 C ATOM 443 CD1 PHE A 40 2.490 8.600 3.200 1.00 0.00 C ATOM 444 CD2 PHE A 40 0.308 8.971 2.312 1.00 0.00 C ATOM 445 CE1 PHE A 40 3.044 8.878 1.966 1.00 0.00 C ATOM 446 CE2 PHE A 40 0.858 9.250 1.075 1.00 0.00 C ATOM 447 CZ PHE A 40 2.227 9.203 0.902 1.00 0.00 C ATOM 0 H PHE A 40 2.620 8.596 6.049 1.00 0.00 H new ATOM 0 HA PHE A 40 0.536 10.428 5.265 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.964 7.426 5.123 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.544 8.165 4.622 1.00 0.00 H new ATOM 0 HD1 PHE A 40 3.134 8.346 4.029 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.764 9.009 2.442 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.115 8.841 1.834 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.217 9.505 0.244 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.658 9.420 -0.064 1.00 0.00 H new ATOM 457 N GLY A 41 0.329 8.907 8.062 1.00 0.00 N ATOM 458 CA GLY A 41 -0.482 8.720 9.247 1.00 0.00 C ATOM 459 C GLY A 41 0.015 7.575 10.103 1.00 0.00 C ATOM 460 O GLY A 41 0.993 7.719 10.838 1.00 0.00 O ATOM 0 H GLY A 41 1.321 8.704 8.186 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.481 9.638 9.835 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.514 8.531 8.953 1.00 0.00 H new ATOM 464 N LYS A 42 -0.655 6.433 10.008 1.00 0.00 N ATOM 465 CA LYS A 42 -0.269 5.260 10.779 1.00 0.00 C ATOM 466 C LYS A 42 -0.638 3.975 10.045 1.00 0.00 C ATOM 467 O LYS A 42 -1.619 3.932 9.303 1.00 0.00 O ATOM 468 CB LYS A 42 -0.935 5.285 12.155 1.00 0.00 C ATOM 469 CG LYS A 42 -1.513 6.641 12.528 1.00 0.00 C ATOM 470 CD LYS A 42 -2.061 6.642 13.945 1.00 0.00 C ATOM 471 CE LYS A 42 -3.003 7.813 14.177 1.00 0.00 C ATOM 472 NZ LYS A 42 -2.411 8.829 15.090 1.00 0.00 N ATOM 0 H LYS A 42 -1.467 6.295 9.406 1.00 0.00 H new ATOM 0 HA LYS A 42 0.813 5.283 10.906 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.732 4.541 12.177 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.204 4.991 12.908 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.741 7.405 12.435 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.307 6.904 11.829 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.588 5.707 14.133 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.236 6.691 14.655 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.244 8.280 13.222 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.939 7.448 14.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.084 9.611 15.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -2.204 8.390 16.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -1.531 9.197 14.676 1.00 0.00 H new ATOM 486 N VAL A 43 0.150 2.929 10.265 1.00 0.00 N ATOM 487 CA VAL A 43 -0.100 1.640 9.637 1.00 0.00 C ATOM 488 C VAL A 43 -0.794 0.700 10.615 1.00 0.00 C ATOM 489 O VAL A 43 -0.236 0.345 11.652 1.00 0.00 O ATOM 490 CB VAL A 43 1.205 0.989 9.141 1.00 0.00 C ATOM 491 CG1 VAL A 43 0.958 -0.451 8.719 1.00 0.00 C ATOM 492 CG2 VAL A 43 1.796 1.796 7.996 1.00 0.00 C ATOM 0 H VAL A 43 0.968 2.950 10.874 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.745 1.816 8.776 1.00 0.00 H new ATOM 0 HB VAL A 43 1.923 0.981 9.961 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.892 -0.894 8.372 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.581 -1.020 9.569 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.224 -0.473 7.913 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.718 1.324 7.656 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.083 1.835 7.172 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.012 2.808 8.338 1.00 0.00 H new ATOM 502 N THR A 44 -2.022 0.318 10.288 1.00 0.00 N ATOM 503 CA THR A 44 -2.803 -0.561 11.150 1.00 0.00 C ATOM 504 C THR A 44 -2.698 -2.017 10.707 1.00 0.00 C ATOM 505 O THR A 44 -3.321 -2.900 11.295 1.00 0.00 O ATOM 506 CB THR A 44 -4.284 -0.139 11.184 1.00 0.00 C ATOM 507 OG1 THR A 44 -5.051 -0.940 10.279 1.00 0.00 O ATOM 508 CG2 THR A 44 -4.420 1.322 10.820 1.00 0.00 C ATOM 0 H THR A 44 -2.499 0.603 9.432 1.00 0.00 H new ATOM 0 HA THR A 44 -2.386 -0.470 12.153 1.00 0.00 H new ATOM 0 HB THR A 44 -4.663 -0.289 12.195 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.990 -0.662 10.312 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.472 1.608 10.848 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.860 1.928 11.533 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.026 1.485 9.817 1.00 0.00 H new ATOM 516 N ASN A 45 -1.904 -2.261 9.668 1.00 0.00 N ATOM 517 CA ASN A 45 -1.716 -3.612 9.148 1.00 0.00 C ATOM 518 C ASN A 45 -0.946 -3.587 7.830 1.00 0.00 C ATOM 519 O ASN A 45 -1.137 -2.692 7.007 1.00 0.00 O ATOM 520 CB ASN A 45 -3.068 -4.298 8.951 1.00 0.00 C ATOM 521 CG ASN A 45 -3.131 -5.656 9.624 1.00 0.00 C ATOM 522 OD1 ASN A 45 -2.333 -6.546 9.328 1.00 0.00 O ATOM 523 ND2 ASN A 45 -4.084 -5.822 10.534 1.00 0.00 N ATOM 0 H ASN A 45 -1.381 -1.541 9.170 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.134 -4.177 9.876 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.857 -3.661 9.350 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.261 -4.415 7.885 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.176 -6.715 11.019 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.724 -5.057 10.748 1.00 0.00 H new ATOM 530 N LEU A 46 -0.079 -4.576 7.635 1.00 0.00 N ATOM 531 CA LEU A 46 0.717 -4.666 6.415 1.00 0.00 C ATOM 532 C LEU A 46 0.917 -6.120 5.998 1.00 0.00 C ATOM 533 O LEU A 46 1.557 -6.897 6.706 1.00 0.00 O ATOM 534 CB LEU A 46 2.077 -3.993 6.613 1.00 0.00 C ATOM 535 CG LEU A 46 3.048 -4.129 5.438 1.00 0.00 C ATOM 536 CD1 LEU A 46 2.410 -3.611 4.157 1.00 0.00 C ATOM 537 CD2 LEU A 46 4.342 -3.387 5.728 1.00 0.00 C ATOM 0 H LEU A 46 0.090 -5.326 8.305 1.00 0.00 H new ATOM 0 HA LEU A 46 0.174 -4.149 5.623 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.915 -2.933 6.809 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.547 -4.413 7.502 1.00 0.00 H new ATOM 0 HG LEU A 46 3.281 -5.185 5.303 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.114 -3.715 3.332 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.510 -4.186 3.941 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.148 -2.560 4.280 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.021 -3.495 4.882 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.127 -2.331 5.889 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.808 -3.803 6.622 1.00 0.00 H new ATOM 549 N LEU A 47 0.367 -6.479 4.843 1.00 0.00 N ATOM 550 CA LEU A 47 0.488 -7.838 4.329 1.00 0.00 C ATOM 551 C LEU A 47 1.195 -7.843 2.978 1.00 0.00 C ATOM 552 O LEU A 47 0.936 -6.990 2.128 1.00 0.00 O ATOM 553 CB LEU A 47 -0.894 -8.483 4.198 1.00 0.00 C ATOM 554 CG LEU A 47 -0.897 -10.013 4.203 1.00 0.00 C ATOM 555 CD1 LEU A 47 -1.794 -10.542 5.310 1.00 0.00 C ATOM 556 CD2 LEU A 47 -1.344 -10.548 2.850 1.00 0.00 C ATOM 0 H LEU A 47 -0.167 -5.848 4.245 1.00 0.00 H new ATOM 0 HA LEU A 47 1.084 -8.417 5.035 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.522 -8.131 5.017 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.354 -8.137 3.272 1.00 0.00 H new ATOM 0 HG LEU A 47 0.119 -10.359 4.392 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.783 -11.632 5.298 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.430 -10.187 6.274 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.813 -10.188 5.153 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.341 -11.638 2.870 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.351 -10.192 2.633 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.661 -10.198 2.076 1.00 0.00 H new ATOM 568 N MET A 48 2.089 -8.806 2.786 1.00 0.00 N ATOM 569 CA MET A 48 2.834 -8.918 1.538 1.00 0.00 C ATOM 570 C MET A 48 2.498 -10.217 0.815 1.00 0.00 C ATOM 571 O MET A 48 2.963 -11.291 1.198 1.00 0.00 O ATOM 572 CB MET A 48 4.338 -8.846 1.810 1.00 0.00 C ATOM 573 CG MET A 48 4.711 -7.890 2.932 1.00 0.00 C ATOM 574 SD MET A 48 5.250 -6.280 2.323 1.00 0.00 S ATOM 575 CE MET A 48 6.843 -6.699 1.620 1.00 0.00 C ATOM 0 H MET A 48 2.315 -9.520 3.478 1.00 0.00 H new ATOM 0 HA MET A 48 2.546 -8.084 0.898 1.00 0.00 H new ATOM 0 HB2 MET A 48 4.702 -9.843 2.058 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.849 -8.538 0.898 1.00 0.00 H new ATOM 0 HG2 MET A 48 3.853 -7.756 3.590 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.507 -8.332 3.531 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.555 -5.902 1.832 1.00 0.00 H new ATOM 0 HE2 MET A 48 7.200 -7.631 2.058 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.744 -6.820 0.541 1.00 0.00 H new ATOM 585 N LEU A 49 1.688 -10.113 -0.234 1.00 0.00 N ATOM 586 CA LEU A 49 1.290 -11.281 -1.013 1.00 0.00 C ATOM 587 C LEU A 49 2.276 -11.537 -2.148 1.00 0.00 C ATOM 588 O LEU A 49 2.127 -10.999 -3.246 1.00 0.00 O ATOM 589 CB LEU A 49 -0.120 -11.091 -1.576 1.00 0.00 C ATOM 590 CG LEU A 49 -1.074 -12.262 -1.338 1.00 0.00 C ATOM 591 CD1 LEU A 49 -2.380 -12.047 -2.088 1.00 0.00 C ATOM 592 CD2 LEU A 49 -0.425 -13.571 -1.759 1.00 0.00 C ATOM 0 H LEU A 49 1.294 -9.232 -0.564 1.00 0.00 H new ATOM 0 HA LEU A 49 1.293 -12.147 -0.351 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.553 -10.193 -1.135 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.046 -10.915 -2.649 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.295 -12.315 -0.272 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.047 -12.890 -1.907 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.853 -11.129 -1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.177 -11.968 -3.156 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.118 -14.394 -1.583 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.174 -13.528 -2.819 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.483 -13.730 -1.178 1.00 0.00 H new ATOM 604 N LYS A 50 3.283 -12.359 -1.873 1.00 0.00 N ATOM 605 CA LYS A 50 4.299 -12.689 -2.866 1.00 0.00 C ATOM 606 C LYS A 50 3.658 -13.018 -4.212 1.00 0.00 C ATOM 607 O LYS A 50 4.276 -12.844 -5.262 1.00 0.00 O ATOM 608 CB LYS A 50 5.146 -13.870 -2.387 1.00 0.00 C ATOM 609 CG LYS A 50 6.327 -13.460 -1.523 1.00 0.00 C ATOM 610 CD LYS A 50 5.915 -13.259 -0.074 1.00 0.00 C ATOM 611 CE LYS A 50 6.952 -12.454 0.694 1.00 0.00 C ATOM 612 NZ LYS A 50 7.297 -13.089 1.996 1.00 0.00 N ATOM 0 H LYS A 50 3.418 -12.810 -0.968 1.00 0.00 H new ATOM 0 HA LYS A 50 4.943 -11.819 -2.994 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.513 -14.555 -1.822 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.514 -14.418 -3.254 1.00 0.00 H new ATOM 0 HG2 LYS A 50 7.102 -14.224 -1.579 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.760 -12.538 -1.910 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.954 -12.747 -0.036 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.778 -14.229 0.404 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.853 -12.353 0.089 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.572 -11.448 0.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.007 -12.509 2.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.442 -13.162 2.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.684 -14.040 1.827 1.00 0.00 H new ATOM 626 N GLY A 51 2.419 -13.493 -4.171 1.00 0.00 N ATOM 627 CA GLY A 51 1.718 -13.838 -5.394 1.00 0.00 C ATOM 628 C GLY A 51 1.183 -12.618 -6.119 1.00 0.00 C ATOM 629 O GLY A 51 0.362 -11.878 -5.577 1.00 0.00 O ATOM 0 H GLY A 51 1.887 -13.645 -3.314 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.393 -14.383 -6.055 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.892 -14.509 -5.159 1.00 0.00 H new ATOM 633 N LYS A 52 1.650 -12.408 -7.345 1.00 0.00 N ATOM 634 CA LYS A 52 1.214 -11.269 -8.145 1.00 0.00 C ATOM 635 C LYS A 52 2.034 -10.025 -7.818 1.00 0.00 C ATOM 636 O LYS A 52 1.946 -9.012 -8.512 1.00 0.00 O ATOM 637 CB LYS A 52 -0.272 -10.993 -7.910 1.00 0.00 C ATOM 638 CG LYS A 52 -1.128 -12.250 -7.879 1.00 0.00 C ATOM 639 CD LYS A 52 -2.585 -11.938 -8.179 1.00 0.00 C ATOM 640 CE LYS A 52 -3.353 -11.594 -6.912 1.00 0.00 C ATOM 641 NZ LYS A 52 -4.061 -12.778 -6.352 1.00 0.00 N ATOM 0 H LYS A 52 2.330 -13.012 -7.807 1.00 0.00 H new ATOM 0 HA LYS A 52 1.369 -11.515 -9.195 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.389 -10.461 -6.966 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.639 -10.333 -8.696 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.751 -12.967 -8.608 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.050 -12.721 -6.899 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.643 -11.104 -8.879 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.049 -12.796 -8.666 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.664 -11.197 -6.166 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.076 -10.808 -7.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.572 -12.501 -5.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.737 -13.142 -7.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.369 -13.519 -6.121 1.00 0.00 H new ATOM 655 N ASN A 53 2.830 -10.107 -6.757 1.00 0.00 N ATOM 656 CA ASN A 53 3.665 -8.986 -6.338 1.00 0.00 C ATOM 657 C ASN A 53 2.814 -7.781 -5.961 1.00 0.00 C ATOM 658 O ASN A 53 2.953 -6.704 -6.541 1.00 0.00 O ATOM 659 CB ASN A 53 4.643 -8.605 -7.452 1.00 0.00 C ATOM 660 CG ASN A 53 6.002 -9.260 -7.285 1.00 0.00 C ATOM 661 OD1 ASN A 53 7.006 -8.762 -7.794 1.00 0.00 O ATOM 662 ND2 ASN A 53 6.043 -10.382 -6.572 1.00 0.00 N ATOM 0 H ASN A 53 2.915 -10.938 -6.171 1.00 0.00 H new ATOM 0 HA ASN A 53 4.229 -9.298 -5.459 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.221 -8.893 -8.415 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.765 -7.522 -7.468 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.931 -10.864 -6.430 1.00 0.00 H new ATOM 0 HD22 ASN A 53 5.187 -10.761 -6.167 1.00 0.00 H new ATOM 669 N GLN A 54 1.934 -7.968 -4.984 1.00 0.00 N ATOM 670 CA GLN A 54 1.062 -6.892 -4.529 1.00 0.00 C ATOM 671 C GLN A 54 0.966 -6.882 -3.009 1.00 0.00 C ATOM 672 O GLN A 54 0.763 -7.922 -2.382 1.00 0.00 O ATOM 673 CB GLN A 54 -0.332 -7.044 -5.139 1.00 0.00 C ATOM 674 CG GLN A 54 -0.327 -7.698 -6.511 1.00 0.00 C ATOM 675 CD GLN A 54 0.010 -6.721 -7.621 1.00 0.00 C ATOM 676 OE1 GLN A 54 0.756 -5.764 -7.417 1.00 0.00 O ATOM 677 NE2 GLN A 54 -0.542 -6.959 -8.806 1.00 0.00 N ATOM 0 H GLN A 54 1.806 -8.853 -4.493 1.00 0.00 H new ATOM 0 HA GLN A 54 1.491 -5.945 -4.856 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -0.952 -7.636 -4.466 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -0.795 -6.060 -5.216 1.00 0.00 H new ATOM 0 HG2 GLN A 54 0.396 -8.514 -6.518 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.306 -8.138 -6.704 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -1.155 -7.765 -8.931 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -0.353 -6.336 -9.591 1.00 0.00 H new ATOM 686 N ALA A 55 1.110 -5.701 -2.420 1.00 0.00 N ATOM 687 CA ALA A 55 1.036 -5.556 -0.972 1.00 0.00 C ATOM 688 C ALA A 55 -0.244 -4.837 -0.569 1.00 0.00 C ATOM 689 O ALA A 55 -0.885 -4.185 -1.393 1.00 0.00 O ATOM 690 CB ALA A 55 2.253 -4.809 -0.449 1.00 0.00 C ATOM 0 H ALA A 55 1.279 -4.830 -2.923 1.00 0.00 H new ATOM 0 HA ALA A 55 1.024 -6.552 -0.528 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.181 -4.710 0.634 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.157 -5.363 -0.704 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.294 -3.819 -0.902 1.00 0.00 H new ATOM 696 N PHE A 56 -0.619 -4.967 0.698 1.00 0.00 N ATOM 697 CA PHE A 56 -1.834 -4.334 1.191 1.00 0.00 C ATOM 698 C PHE A 56 -1.664 -3.835 2.623 1.00 0.00 C ATOM 699 O PHE A 56 -1.486 -4.626 3.549 1.00 0.00 O ATOM 700 CB PHE A 56 -3.001 -5.321 1.125 1.00 0.00 C ATOM 701 CG PHE A 56 -2.996 -6.180 -0.108 1.00 0.00 C ATOM 702 CD1 PHE A 56 -1.948 -7.054 -0.364 1.00 0.00 C ATOM 703 CD2 PHE A 56 -4.044 -6.114 -1.013 1.00 0.00 C ATOM 704 CE1 PHE A 56 -1.950 -7.844 -1.498 1.00 0.00 C ATOM 705 CE2 PHE A 56 -4.049 -6.902 -2.149 1.00 0.00 C ATOM 706 CZ PHE A 56 -2.999 -7.768 -2.392 1.00 0.00 C ATOM 0 H PHE A 56 -0.103 -5.501 1.397 1.00 0.00 H new ATOM 0 HA PHE A 56 -2.043 -3.474 0.555 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.972 -5.964 2.005 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.938 -4.766 1.166 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.123 -7.117 0.330 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.867 -5.439 -0.828 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.130 -8.522 -1.685 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.872 -6.841 -2.846 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.000 -8.384 -3.279 1.00 0.00 H new ATOM 716 N ILE A 57 -1.745 -2.520 2.801 1.00 0.00 N ATOM 717 CA ILE A 57 -1.624 -1.922 4.124 1.00 0.00 C ATOM 718 C ILE A 57 -2.967 -1.369 4.577 1.00 0.00 C ATOM 719 O ILE A 57 -3.824 -1.046 3.754 1.00 0.00 O ATOM 720 CB ILE A 57 -0.561 -0.802 4.166 1.00 0.00 C ATOM 721 CG1 ILE A 57 -1.124 0.516 3.623 1.00 0.00 C ATOM 722 CG2 ILE A 57 0.670 -1.218 3.378 1.00 0.00 C ATOM 723 CD1 ILE A 57 -0.216 1.705 3.868 1.00 0.00 C ATOM 0 H ILE A 57 -1.894 -1.850 2.046 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.301 -2.711 4.803 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.277 -0.642 5.206 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.297 0.415 2.552 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -2.093 0.707 4.085 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.412 -0.421 3.415 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.090 -2.125 3.812 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.392 -1.407 2.341 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.676 2.604 3.458 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -0.063 1.832 4.940 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.745 1.535 3.382 1.00 0.00 H new ATOM 735 N GLU A 58 -3.155 -1.271 5.884 1.00 0.00 N ATOM 736 CA GLU A 58 -4.407 -0.767 6.432 1.00 0.00 C ATOM 737 C GLU A 58 -4.198 0.530 7.203 1.00 0.00 C ATOM 738 O GLU A 58 -3.597 0.535 8.277 1.00 0.00 O ATOM 739 CB GLU A 58 -5.046 -1.816 7.343 1.00 0.00 C ATOM 740 CG GLU A 58 -6.190 -2.574 6.690 1.00 0.00 C ATOM 741 CD GLU A 58 -7.546 -1.979 7.017 1.00 0.00 C ATOM 742 OE1 GLU A 58 -7.587 -0.835 7.515 1.00 0.00 O ATOM 743 OE2 GLU A 58 -8.566 -2.658 6.775 1.00 0.00 O ATOM 0 H GLU A 58 -2.460 -1.532 6.584 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.074 -0.559 5.596 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.282 -2.527 7.656 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.414 -1.326 8.245 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.049 -2.576 5.609 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.165 -3.614 7.017 1.00 0.00 H new ATOM 750 N MET A 59 -4.713 1.625 6.655 1.00 0.00 N ATOM 751 CA MET A 59 -4.599 2.926 7.301 1.00 0.00 C ATOM 752 C MET A 59 -5.649 3.058 8.397 1.00 0.00 C ATOM 753 O MET A 59 -6.799 2.660 8.214 1.00 0.00 O ATOM 754 CB MET A 59 -4.761 4.053 6.277 1.00 0.00 C ATOM 755 CG MET A 59 -3.735 4.021 5.151 1.00 0.00 C ATOM 756 SD MET A 59 -2.177 3.249 5.633 1.00 0.00 S ATOM 757 CE MET A 59 -1.275 4.655 6.282 1.00 0.00 C ATOM 0 H MET A 59 -5.213 1.637 5.766 1.00 0.00 H new ATOM 0 HA MET A 59 -3.608 3.006 7.747 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.760 3.997 5.845 1.00 0.00 H new ATOM 0 HB3 MET A 59 -4.690 5.011 6.792 1.00 0.00 H new ATOM 0 HG2 MET A 59 -4.154 3.481 4.302 1.00 0.00 H new ATOM 0 HG3 MET A 59 -3.540 5.040 4.816 1.00 0.00 H new ATOM 0 HE1 MET A 59 -0.240 4.368 6.470 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.300 5.469 5.557 1.00 0.00 H new ATOM 0 HE3 MET A 59 -1.736 4.984 7.213 1.00 0.00 H new ATOM 767 N ASN A 60 -5.250 3.603 9.539 1.00 0.00 N ATOM 768 CA ASN A 60 -6.169 3.766 10.661 1.00 0.00 C ATOM 769 C ASN A 60 -7.273 4.754 10.311 1.00 0.00 C ATOM 770 O ASN A 60 -8.439 4.548 10.650 1.00 0.00 O ATOM 771 CB ASN A 60 -5.430 4.261 11.906 1.00 0.00 C ATOM 772 CG ASN A 60 -3.975 3.847 11.946 1.00 0.00 C ATOM 773 OD1 ASN A 60 -3.284 3.860 10.927 1.00 0.00 O ATOM 774 ND2 ASN A 60 -3.497 3.499 13.132 1.00 0.00 N ATOM 0 H ASN A 60 -4.303 3.938 9.714 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.608 2.791 10.871 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.492 5.348 11.948 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.933 3.879 12.794 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.519 3.227 13.228 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.107 3.503 13.949 1.00 0.00 H new ATOM 781 N THR A 61 -6.893 5.834 9.639 1.00 0.00 N ATOM 782 CA THR A 61 -7.843 6.866 9.251 1.00 0.00 C ATOM 783 C THR A 61 -7.895 7.022 7.736 1.00 0.00 C ATOM 784 O THR A 61 -7.147 6.368 7.009 1.00 0.00 O ATOM 785 CB THR A 61 -7.477 8.221 9.885 1.00 0.00 C ATOM 786 OG1 THR A 61 -7.759 9.286 8.970 1.00 0.00 O ATOM 787 CG2 THR A 61 -6.004 8.250 10.268 1.00 0.00 C ATOM 0 H THR A 61 -5.932 6.017 9.352 1.00 0.00 H new ATOM 0 HA THR A 61 -8.823 6.554 9.612 1.00 0.00 H new ATOM 0 HB THR A 61 -8.078 8.353 10.785 1.00 0.00 H new ATOM 0 HG1 THR A 61 -7.524 10.143 9.383 1.00 0.00 H new ATOM 0 HG21 THR A 61 -5.763 9.215 10.714 1.00 0.00 H new ATOM 0 HG22 THR A 61 -5.799 7.456 10.987 1.00 0.00 H new ATOM 0 HG23 THR A 61 -5.394 8.100 9.378 1.00 0.00 H new ATOM 795 N GLU A 62 -8.783 7.891 7.265 1.00 0.00 N ATOM 796 CA GLU A 62 -8.928 8.128 5.836 1.00 0.00 C ATOM 797 C GLU A 62 -7.757 8.945 5.300 1.00 0.00 C ATOM 798 O GLU A 62 -7.132 8.574 4.307 1.00 0.00 O ATOM 799 CB GLU A 62 -10.246 8.848 5.545 1.00 0.00 C ATOM 800 CG GLU A 62 -11.461 7.936 5.607 1.00 0.00 C ATOM 801 CD GLU A 62 -12.433 8.333 6.702 1.00 0.00 C ATOM 802 OE1 GLU A 62 -12.207 9.380 7.344 1.00 0.00 O ATOM 803 OE2 GLU A 62 -13.418 7.597 6.916 1.00 0.00 O ATOM 0 H GLU A 62 -9.411 8.441 7.851 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.935 7.162 5.332 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.374 9.659 6.261 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.192 9.302 4.555 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.975 7.955 4.646 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.132 6.910 5.772 1.00 0.00 H new ATOM 810 N GLU A 63 -7.463 10.057 5.965 1.00 0.00 N ATOM 811 CA GLU A 63 -6.364 10.920 5.554 1.00 0.00 C ATOM 812 C GLU A 63 -5.116 10.095 5.252 1.00 0.00 C ATOM 813 O GLU A 63 -4.292 10.479 4.423 1.00 0.00 O ATOM 814 CB GLU A 63 -6.059 11.949 6.645 1.00 0.00 C ATOM 815 CG GLU A 63 -6.972 13.162 6.608 1.00 0.00 C ATOM 816 CD GLU A 63 -6.546 14.243 7.582 1.00 0.00 C ATOM 817 OE1 GLU A 63 -5.548 14.032 8.303 1.00 0.00 O ATOM 818 OE2 GLU A 63 -7.210 15.300 7.625 1.00 0.00 O ATOM 0 H GLU A 63 -7.970 10.381 6.789 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.663 11.444 4.646 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.145 11.469 7.620 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.025 12.279 6.543 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.984 13.572 5.598 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.991 12.852 6.838 1.00 0.00 H new ATOM 825 N ALA A 64 -4.988 8.959 5.930 1.00 0.00 N ATOM 826 CA ALA A 64 -3.844 8.078 5.734 1.00 0.00 C ATOM 827 C ALA A 64 -3.973 7.296 4.432 1.00 0.00 C ATOM 828 O ALA A 64 -3.052 7.275 3.615 1.00 0.00 O ATOM 829 CB ALA A 64 -3.699 7.128 6.915 1.00 0.00 C ATOM 0 H ALA A 64 -5.663 8.628 6.620 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.947 8.694 5.669 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.840 6.476 6.754 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.552 7.703 7.829 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.601 6.523 7.008 1.00 0.00 H new ATOM 835 N ALA A 65 -5.121 6.654 4.242 1.00 0.00 N ATOM 836 CA ALA A 65 -5.367 5.873 3.036 1.00 0.00 C ATOM 837 C ALA A 65 -5.379 6.763 1.799 1.00 0.00 C ATOM 838 O ALA A 65 -4.562 6.597 0.891 1.00 0.00 O ATOM 839 CB ALA A 65 -6.682 5.116 3.157 1.00 0.00 C ATOM 0 H ALA A 65 -5.894 6.659 4.907 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.555 5.154 2.926 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.853 4.537 2.250 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.637 4.443 4.014 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.499 5.825 3.295 1.00 0.00 H new ATOM 845 N ASN A 66 -6.308 7.714 1.769 1.00 0.00 N ATOM 846 CA ASN A 66 -6.425 8.633 0.643 1.00 0.00 C ATOM 847 C ASN A 66 -5.053 9.149 0.225 1.00 0.00 C ATOM 848 O ASN A 66 -4.607 8.915 -0.899 1.00 0.00 O ATOM 849 CB ASN A 66 -7.335 9.807 1.008 1.00 0.00 C ATOM 850 CG ASN A 66 -8.738 9.643 0.456 1.00 0.00 C ATOM 851 OD1 ASN A 66 -9.025 10.040 -0.673 1.00 0.00 O ATOM 852 ND2 ASN A 66 -9.622 9.054 1.255 1.00 0.00 N ATOM 0 H ASN A 66 -6.990 7.868 2.512 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.864 8.092 -0.195 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.383 9.903 2.093 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -6.902 10.731 0.625 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.582 8.916 0.939 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -9.340 8.740 2.184 1.00 0.00 H new ATOM 859 N THR A 67 -4.386 9.851 1.136 1.00 0.00 N ATOM 860 CA THR A 67 -3.064 10.398 0.859 1.00 0.00 C ATOM 861 C THR A 67 -2.169 9.355 0.199 1.00 0.00 C ATOM 862 O THR A 67 -1.572 9.608 -0.848 1.00 0.00 O ATOM 863 CB THR A 67 -2.384 10.903 2.145 1.00 0.00 C ATOM 864 OG1 THR A 67 -3.200 11.898 2.773 1.00 0.00 O ATOM 865 CG2 THR A 67 -1.012 11.485 1.839 1.00 0.00 C ATOM 0 H THR A 67 -4.740 10.054 2.071 1.00 0.00 H new ATOM 0 HA THR A 67 -3.203 11.238 0.179 1.00 0.00 H new ATOM 0 HB THR A 67 -2.260 10.056 2.820 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.982 11.470 3.180 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.551 11.835 2.763 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.383 10.717 1.388 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.117 12.320 1.147 1.00 0.00 H new ATOM 873 N MET A 68 -2.082 8.181 0.819 1.00 0.00 N ATOM 874 CA MET A 68 -1.263 7.094 0.294 1.00 0.00 C ATOM 875 C MET A 68 -1.272 7.091 -1.231 1.00 0.00 C ATOM 876 O MET A 68 -0.229 7.242 -1.869 1.00 0.00 O ATOM 877 CB MET A 68 -1.767 5.750 0.821 1.00 0.00 C ATOM 878 CG MET A 68 -0.693 4.676 0.879 1.00 0.00 C ATOM 879 SD MET A 68 0.604 5.055 2.072 1.00 0.00 S ATOM 880 CE MET A 68 1.988 4.166 1.362 1.00 0.00 C ATOM 0 H MET A 68 -2.570 7.959 1.687 1.00 0.00 H new ATOM 0 HA MET A 68 -0.238 7.249 0.632 1.00 0.00 H new ATOM 0 HB2 MET A 68 -2.180 5.893 1.820 1.00 0.00 H new ATOM 0 HB3 MET A 68 -2.582 5.403 0.186 1.00 0.00 H new ATOM 0 HG2 MET A 68 -1.152 3.722 1.138 1.00 0.00 H new ATOM 0 HG3 MET A 68 -0.249 4.558 -0.109 1.00 0.00 H new ATOM 0 HE1 MET A 68 2.403 3.485 2.105 1.00 0.00 H new ATOM 0 HE2 MET A 68 1.649 3.596 0.497 1.00 0.00 H new ATOM 0 HE3 MET A 68 2.755 4.875 1.051 1.00 0.00 H new ATOM 890 N VAL A 69 -2.454 6.918 -1.809 1.00 0.00 N ATOM 891 CA VAL A 69 -2.601 6.894 -3.259 1.00 0.00 C ATOM 892 C VAL A 69 -2.609 8.305 -3.837 1.00 0.00 C ATOM 893 O VAL A 69 -1.823 8.627 -4.728 1.00 0.00 O ATOM 894 CB VAL A 69 -3.896 6.175 -3.678 1.00 0.00 C ATOM 895 CG1 VAL A 69 -4.115 6.298 -5.178 1.00 0.00 C ATOM 896 CG2 VAL A 69 -3.857 4.714 -3.255 1.00 0.00 C ATOM 0 H VAL A 69 -3.326 6.792 -1.295 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.744 6.348 -3.654 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.735 6.653 -3.172 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.035 5.783 -5.455 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.192 7.351 -5.449 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.275 5.848 -5.707 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.781 4.222 -3.560 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.009 4.220 -3.730 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.753 4.651 -2.172 1.00 0.00 H new ATOM 906 N ASN A 70 -3.506 9.142 -3.325 1.00 0.00 N ATOM 907 CA ASN A 70 -3.623 10.520 -3.791 1.00 0.00 C ATOM 908 C ASN A 70 -2.253 11.124 -4.085 1.00 0.00 C ATOM 909 O ASN A 70 -1.947 11.464 -5.227 1.00 0.00 O ATOM 910 CB ASN A 70 -4.353 11.370 -2.749 1.00 0.00 C ATOM 911 CG ASN A 70 -5.859 11.277 -2.877 1.00 0.00 C ATOM 912 OD1 ASN A 70 -6.381 10.445 -3.619 1.00 0.00 O ATOM 913 ND2 ASN A 70 -6.569 12.135 -2.152 1.00 0.00 N ATOM 0 H ASN A 70 -4.163 8.890 -2.587 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.198 10.512 -4.717 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -4.056 11.049 -1.750 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -4.046 12.411 -2.854 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -7.588 12.120 -2.198 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -6.095 12.808 -1.550 1.00 0.00 H new ATOM 920 N TYR A 71 -1.434 11.259 -3.046 1.00 0.00 N ATOM 921 CA TYR A 71 -0.100 11.828 -3.195 1.00 0.00 C ATOM 922 C TYR A 71 0.754 10.991 -4.143 1.00 0.00 C ATOM 923 O TYR A 71 1.431 11.528 -5.020 1.00 0.00 O ATOM 924 CB TYR A 71 0.589 11.934 -1.833 1.00 0.00 C ATOM 925 CG TYR A 71 1.946 12.597 -1.891 1.00 0.00 C ATOM 926 CD1 TYR A 71 2.074 13.929 -2.267 1.00 0.00 C ATOM 927 CD2 TYR A 71 3.100 11.892 -1.571 1.00 0.00 C ATOM 928 CE1 TYR A 71 3.313 14.539 -2.322 1.00 0.00 C ATOM 929 CE2 TYR A 71 4.342 12.495 -1.624 1.00 0.00 C ATOM 930 CZ TYR A 71 4.443 13.818 -1.999 1.00 0.00 C ATOM 931 OH TYR A 71 5.678 14.422 -2.053 1.00 0.00 O ATOM 0 H TYR A 71 -1.671 10.982 -2.093 1.00 0.00 H new ATOM 0 HA TYR A 71 -0.209 12.825 -3.621 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -0.052 12.496 -1.154 1.00 0.00 H new ATOM 0 HB3 TYR A 71 0.700 10.934 -1.413 1.00 0.00 H new ATOM 0 HD1 TYR A 71 1.191 14.497 -2.520 1.00 0.00 H new ATOM 0 HD2 TYR A 71 3.025 10.856 -1.276 1.00 0.00 H new ATOM 0 HE1 TYR A 71 3.396 15.575 -2.616 1.00 0.00 H new ATOM 0 HE2 TYR A 71 5.229 11.933 -1.373 1.00 0.00 H new ATOM 0 HH TYR A 71 6.369 13.777 -1.795 1.00 0.00 H new ATOM 941 N TYR A 72 0.718 9.675 -3.962 1.00 0.00 N ATOM 942 CA TYR A 72 1.491 8.768 -4.802 1.00 0.00 C ATOM 943 C TYR A 72 0.881 8.650 -6.196 1.00 0.00 C ATOM 944 O TYR A 72 1.409 7.945 -7.055 1.00 0.00 O ATOM 945 CB TYR A 72 1.580 7.388 -4.149 1.00 0.00 C ATOM 946 CG TYR A 72 2.533 7.331 -2.973 1.00 0.00 C ATOM 947 CD1 TYR A 72 3.286 8.441 -2.607 1.00 0.00 C ATOM 948 CD2 TYR A 72 2.681 6.165 -2.231 1.00 0.00 C ATOM 949 CE1 TYR A 72 4.158 8.388 -1.535 1.00 0.00 C ATOM 950 CE2 TYR A 72 3.549 6.107 -1.159 1.00 0.00 C ATOM 951 CZ TYR A 72 4.285 7.221 -0.815 1.00 0.00 C ATOM 952 OH TYR A 72 5.152 7.166 0.252 1.00 0.00 O ATOM 0 H TYR A 72 0.162 9.213 -3.242 1.00 0.00 H new ATOM 0 HA TYR A 72 2.495 9.180 -4.905 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.586 7.089 -3.815 1.00 0.00 H new ATOM 0 HB3 TYR A 72 1.897 6.661 -4.897 1.00 0.00 H new ATOM 0 HD1 TYR A 72 3.188 9.358 -3.168 1.00 0.00 H new ATOM 0 HD2 TYR A 72 2.107 5.290 -2.498 1.00 0.00 H new ATOM 0 HE1 TYR A 72 4.737 9.258 -1.264 1.00 0.00 H new ATOM 0 HE2 TYR A 72 3.651 5.193 -0.592 1.00 0.00 H new ATOM 0 HH TYR A 72 4.655 7.304 1.085 1.00 0.00 H new ATOM 962 N THR A 73 -0.230 9.347 -6.418 1.00 0.00 N ATOM 963 CA THR A 73 -0.900 9.319 -7.712 1.00 0.00 C ATOM 964 C THR A 73 0.033 9.805 -8.816 1.00 0.00 C ATOM 965 O THR A 73 0.009 9.291 -9.935 1.00 0.00 O ATOM 966 CB THR A 73 -2.170 10.190 -7.708 1.00 0.00 C ATOM 967 OG1 THR A 73 -3.148 9.627 -6.825 1.00 0.00 O ATOM 968 CG2 THR A 73 -2.751 10.305 -9.109 1.00 0.00 C ATOM 0 H THR A 73 -0.683 9.936 -5.720 1.00 0.00 H new ATOM 0 HA THR A 73 -1.183 8.284 -7.903 1.00 0.00 H new ATOM 0 HB THR A 73 -1.899 11.187 -7.361 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.718 8.973 -6.236 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.647 10.925 -9.081 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.015 10.760 -9.772 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.007 9.312 -9.479 1.00 0.00 H new ATOM 976 N SER A 74 0.857 10.797 -8.491 1.00 0.00 N ATOM 977 CA SER A 74 1.803 11.353 -9.450 1.00 0.00 C ATOM 978 C SER A 74 3.236 11.035 -9.038 1.00 0.00 C ATOM 979 O SER A 74 4.059 10.646 -9.866 1.00 0.00 O ATOM 980 CB SER A 74 1.616 12.868 -9.562 1.00 0.00 C ATOM 981 OG SER A 74 0.519 13.185 -10.401 1.00 0.00 O ATOM 0 H SER A 74 0.888 11.232 -7.569 1.00 0.00 H new ATOM 0 HA SER A 74 1.611 10.899 -10.422 1.00 0.00 H new ATOM 0 HB2 SER A 74 1.454 13.292 -8.571 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.524 13.322 -9.959 1.00 0.00 H new ATOM 0 HG SER A 74 0.419 14.158 -10.455 1.00 0.00 H new ATOM 987 N VAL A 75 3.526 11.200 -7.752 1.00 0.00 N ATOM 988 CA VAL A 75 4.857 10.927 -7.226 1.00 0.00 C ATOM 989 C VAL A 75 5.050 9.436 -6.980 1.00 0.00 C ATOM 990 O VAL A 75 4.249 8.801 -6.295 1.00 0.00 O ATOM 991 CB VAL A 75 5.108 11.689 -5.911 1.00 0.00 C ATOM 992 CG1 VAL A 75 6.415 11.243 -5.272 1.00 0.00 C ATOM 993 CG2 VAL A 75 5.112 13.191 -6.156 1.00 0.00 C ATOM 0 H VAL A 75 2.855 11.522 -7.054 1.00 0.00 H new ATOM 0 HA VAL A 75 5.572 11.267 -7.975 1.00 0.00 H new ATOM 0 HB VAL A 75 4.297 11.458 -5.221 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.573 11.794 -4.345 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.369 10.175 -5.057 1.00 0.00 H new ATOM 0 HG13 VAL A 75 7.240 11.440 -5.956 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.291 13.713 -5.216 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.900 13.442 -6.866 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.148 13.496 -6.562 1.00 0.00 H new ATOM 1003 N THR A 76 6.117 8.879 -7.544 1.00 0.00 N ATOM 1004 CA THR A 76 6.412 7.467 -7.387 1.00 0.00 C ATOM 1005 C THR A 76 7.276 7.221 -6.154 1.00 0.00 C ATOM 1006 O THR A 76 8.253 7.932 -5.922 1.00 0.00 O ATOM 1007 CB THR A 76 7.135 6.912 -8.628 1.00 0.00 C ATOM 1008 OG1 THR A 76 6.196 6.696 -9.687 1.00 0.00 O ATOM 1009 CG2 THR A 76 7.845 5.609 -8.300 1.00 0.00 C ATOM 0 H THR A 76 6.791 9.389 -8.115 1.00 0.00 H new ATOM 0 HA THR A 76 5.460 6.951 -7.266 1.00 0.00 H new ATOM 0 HB THR A 76 7.878 7.643 -8.946 1.00 0.00 H new ATOM 0 HG1 THR A 76 6.078 5.733 -9.828 1.00 0.00 H new ATOM 0 HG21 THR A 76 8.349 5.235 -9.191 1.00 0.00 H new ATOM 0 HG22 THR A 76 8.580 5.783 -7.514 1.00 0.00 H new ATOM 0 HG23 THR A 76 7.116 4.873 -7.959 1.00 0.00 H new ATOM 1017 N PRO A 77 6.933 6.203 -5.348 1.00 0.00 N ATOM 1018 CA PRO A 77 7.672 5.862 -4.152 1.00 0.00 C ATOM 1019 C PRO A 77 8.657 4.720 -4.386 1.00 0.00 C ATOM 1020 O PRO A 77 8.370 3.568 -4.062 1.00 0.00 O ATOM 1021 CB PRO A 77 6.556 5.423 -3.202 1.00 0.00 C ATOM 1022 CG PRO A 77 5.422 4.973 -4.086 1.00 0.00 C ATOM 1023 CD PRO A 77 5.798 5.293 -5.512 1.00 0.00 C ATOM 0 HA PRO A 77 8.284 6.685 -3.782 1.00 0.00 H new ATOM 0 HB2 PRO A 77 6.891 4.614 -2.552 1.00 0.00 H new ATOM 0 HB3 PRO A 77 6.246 6.244 -2.556 1.00 0.00 H new ATOM 0 HG2 PRO A 77 5.246 3.904 -3.968 1.00 0.00 H new ATOM 0 HG3 PRO A 77 4.498 5.481 -3.811 1.00 0.00 H new ATOM 0 HD2 PRO A 77 6.074 4.398 -6.069 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.976 5.764 -6.052 1.00 0.00 H new ATOM 1031 N VAL A 78 9.815 5.045 -4.951 1.00 0.00 N ATOM 1032 CA VAL A 78 10.837 4.041 -5.224 1.00 0.00 C ATOM 1033 C VAL A 78 11.817 3.926 -4.065 1.00 0.00 C ATOM 1034 O VAL A 78 11.948 4.843 -3.253 1.00 0.00 O ATOM 1035 CB VAL A 78 11.609 4.363 -6.518 1.00 0.00 C ATOM 1036 CG1 VAL A 78 11.934 5.846 -6.596 1.00 0.00 C ATOM 1037 CG2 VAL A 78 12.873 3.525 -6.621 1.00 0.00 C ATOM 0 H VAL A 78 10.069 5.993 -5.228 1.00 0.00 H new ATOM 0 HA VAL A 78 10.322 3.088 -5.350 1.00 0.00 H new ATOM 0 HB VAL A 78 10.970 4.110 -7.364 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.479 6.051 -7.517 1.00 0.00 H new ATOM 0 HG12 VAL A 78 11.009 6.422 -6.586 1.00 0.00 H new ATOM 0 HG13 VAL A 78 12.547 6.130 -5.741 1.00 0.00 H new ATOM 0 HG21 VAL A 78 13.399 3.772 -7.543 1.00 0.00 H new ATOM 0 HG22 VAL A 78 13.519 3.734 -5.768 1.00 0.00 H new ATOM 0 HG23 VAL A 78 12.609 2.467 -6.626 1.00 0.00 H new ATOM 1047 N LEU A 79 12.499 2.792 -3.992 1.00 0.00 N ATOM 1048 CA LEU A 79 13.468 2.548 -2.928 1.00 0.00 C ATOM 1049 C LEU A 79 14.607 1.655 -3.412 1.00 0.00 C ATOM 1050 O LEU A 79 14.375 0.614 -4.026 1.00 0.00 O ATOM 1051 CB LEU A 79 12.784 1.904 -1.722 1.00 0.00 C ATOM 1052 CG LEU A 79 11.353 1.426 -1.968 1.00 0.00 C ATOM 1053 CD1 LEU A 79 10.922 0.445 -0.887 1.00 0.00 C ATOM 1054 CD2 LEU A 79 10.402 2.610 -2.025 1.00 0.00 C ATOM 0 H LEU A 79 12.401 2.024 -4.657 1.00 0.00 H new ATOM 0 HA LEU A 79 13.886 3.510 -2.633 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.383 1.054 -1.395 1.00 0.00 H new ATOM 0 HB3 LEU A 79 12.775 2.622 -0.902 1.00 0.00 H new ATOM 0 HG LEU A 79 11.322 0.911 -2.928 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.901 0.117 -1.080 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.588 -0.418 -0.892 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.968 0.933 0.087 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.387 2.253 -2.201 1.00 0.00 H new ATOM 0 HD22 LEU A 79 10.438 3.151 -1.080 1.00 0.00 H new ATOM 0 HD23 LEU A 79 10.698 3.276 -2.836 1.00 0.00 H new ATOM 1066 N ARG A 80 15.837 2.068 -3.124 1.00 0.00 N ATOM 1067 CA ARG A 80 17.014 1.305 -3.524 1.00 0.00 C ATOM 1068 C ARG A 80 16.997 1.022 -5.024 1.00 0.00 C ATOM 1069 O ARG A 80 17.693 0.128 -5.504 1.00 0.00 O ATOM 1070 CB ARG A 80 17.083 -0.011 -2.746 1.00 0.00 C ATOM 1071 CG ARG A 80 18.374 -0.782 -2.968 1.00 0.00 C ATOM 1072 CD ARG A 80 18.142 -2.024 -3.813 1.00 0.00 C ATOM 1073 NE ARG A 80 19.185 -2.201 -4.821 1.00 0.00 N ATOM 1074 CZ ARG A 80 19.147 -3.139 -5.761 1.00 0.00 C ATOM 1075 NH1 ARG A 80 18.123 -3.980 -5.821 1.00 0.00 N ATOM 1076 NH2 ARG A 80 20.133 -3.238 -6.642 1.00 0.00 N ATOM 0 H ARG A 80 16.045 2.927 -2.615 1.00 0.00 H new ATOM 0 HA ARG A 80 17.897 1.902 -3.296 1.00 0.00 H new ATOM 0 HB2 ARG A 80 16.974 0.199 -1.682 1.00 0.00 H new ATOM 0 HB3 ARG A 80 16.240 -0.639 -3.035 1.00 0.00 H new ATOM 0 HG2 ARG A 80 19.104 -0.138 -3.458 1.00 0.00 H new ATOM 0 HG3 ARG A 80 18.798 -1.069 -2.006 1.00 0.00 H new ATOM 0 HD2 ARG A 80 18.109 -2.901 -3.167 1.00 0.00 H new ATOM 0 HD3 ARG A 80 17.171 -1.953 -4.304 1.00 0.00 H new ATOM 0 HE ARG A 80 19.986 -1.570 -4.802 1.00 0.00 H new ATOM 0 HH11 ARG A 80 17.363 -3.907 -5.145 1.00 0.00 H new ATOM 0 HH12 ARG A 80 18.096 -4.699 -6.543 1.00 0.00 H new ATOM 0 HH21 ARG A 80 20.922 -2.593 -6.599 1.00 0.00 H new ATOM 0 HH22 ARG A 80 20.102 -3.959 -7.363 1.00 0.00 H new ATOM 1090 N GLY A 81 16.201 1.793 -5.757 1.00 0.00 N ATOM 1091 CA GLY A 81 16.112 1.613 -7.193 1.00 0.00 C ATOM 1092 C GLY A 81 14.979 0.689 -7.597 1.00 0.00 C ATOM 1093 O GLY A 81 14.929 0.218 -8.732 1.00 0.00 O ATOM 0 H GLY A 81 15.616 2.539 -5.382 1.00 0.00 H new ATOM 0 HA2 GLY A 81 15.971 2.584 -7.669 1.00 0.00 H new ATOM 0 HA3 GLY A 81 17.054 1.210 -7.564 1.00 0.00 H new ATOM 1097 N GLN A 82 14.062 0.438 -6.668 1.00 0.00 N ATOM 1098 CA GLN A 82 12.920 -0.426 -6.940 1.00 0.00 C ATOM 1099 C GLN A 82 11.632 0.384 -6.902 1.00 0.00 C ATOM 1100 O GLN A 82 11.076 0.640 -5.833 1.00 0.00 O ATOM 1101 CB GLN A 82 12.856 -1.564 -5.920 1.00 0.00 C ATOM 1102 CG GLN A 82 13.850 -2.682 -6.194 1.00 0.00 C ATOM 1103 CD GLN A 82 13.939 -3.675 -5.052 1.00 0.00 C ATOM 1104 OE1 GLN A 82 13.140 -3.637 -4.116 1.00 0.00 O ATOM 1105 NE2 GLN A 82 14.916 -4.572 -5.123 1.00 0.00 N ATOM 0 H GLN A 82 14.088 0.820 -5.723 1.00 0.00 H new ATOM 0 HA GLN A 82 13.038 -0.857 -7.934 1.00 0.00 H new ATOM 0 HB2 GLN A 82 13.041 -1.160 -4.925 1.00 0.00 H new ATOM 0 HB3 GLN A 82 11.848 -1.979 -5.913 1.00 0.00 H new ATOM 0 HG2 GLN A 82 13.560 -3.206 -7.105 1.00 0.00 H new ATOM 0 HG3 GLN A 82 14.835 -2.251 -6.374 1.00 0.00 H new ATOM 0 HE21 GLN A 82 15.556 -4.567 -5.917 1.00 0.00 H new ATOM 0 HE22 GLN A 82 15.026 -5.266 -4.383 1.00 0.00 H new ATOM 1114 N PRO A 83 11.152 0.814 -8.075 1.00 0.00 N ATOM 1115 CA PRO A 83 9.935 1.620 -8.189 1.00 0.00 C ATOM 1116 C PRO A 83 8.674 0.830 -7.849 1.00 0.00 C ATOM 1117 O PRO A 83 8.247 -0.034 -8.614 1.00 0.00 O ATOM 1118 CB PRO A 83 9.910 2.047 -9.665 1.00 0.00 C ATOM 1119 CG PRO A 83 11.265 1.720 -10.202 1.00 0.00 C ATOM 1120 CD PRO A 83 11.769 0.569 -9.383 1.00 0.00 C ATOM 0 HA PRO A 83 9.947 2.457 -7.490 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.132 1.515 -10.214 1.00 0.00 H new ATOM 0 HB3 PRO A 83 9.697 3.112 -9.761 1.00 0.00 H new ATOM 0 HG2 PRO A 83 11.212 1.454 -11.258 1.00 0.00 H new ATOM 0 HG3 PRO A 83 11.933 2.577 -10.122 1.00 0.00 H new ATOM 0 HD2 PRO A 83 11.465 -0.390 -9.802 1.00 0.00 H new ATOM 0 HD3 PRO A 83 12.857 0.560 -9.323 1.00 0.00 H new ATOM 1128 N ILE A 84 8.076 1.141 -6.703 1.00 0.00 N ATOM 1129 CA ILE A 84 6.857 0.468 -6.270 1.00 0.00 C ATOM 1130 C ILE A 84 5.704 1.462 -6.170 1.00 0.00 C ATOM 1131 O ILE A 84 5.695 2.335 -5.303 1.00 0.00 O ATOM 1132 CB ILE A 84 7.055 -0.246 -4.915 1.00 0.00 C ATOM 1133 CG1 ILE A 84 7.047 0.759 -3.761 1.00 0.00 C ATOM 1134 CG2 ILE A 84 8.356 -1.032 -4.924 1.00 0.00 C ATOM 1135 CD1 ILE A 84 7.528 0.173 -2.446 1.00 0.00 C ATOM 0 H ILE A 84 8.416 1.854 -6.058 1.00 0.00 H new ATOM 0 HA ILE A 84 6.615 -0.286 -7.019 1.00 0.00 H new ATOM 0 HB ILE A 84 6.225 -0.937 -4.767 1.00 0.00 H new ATOM 0 HG12 ILE A 84 7.678 1.608 -4.024 1.00 0.00 H new ATOM 0 HG13 ILE A 84 6.035 1.143 -3.630 1.00 0.00 H new ATOM 0 HG21 ILE A 84 8.486 -1.532 -3.964 1.00 0.00 H new ATOM 0 HG22 ILE A 84 8.326 -1.777 -5.719 1.00 0.00 H new ATOM 0 HG23 ILE A 84 9.191 -0.352 -5.095 1.00 0.00 H new ATOM 0 HD11 ILE A 84 7.496 0.940 -1.672 1.00 0.00 H new ATOM 0 HD12 ILE A 84 6.883 -0.658 -2.160 1.00 0.00 H new ATOM 0 HD13 ILE A 84 8.551 -0.185 -2.560 1.00 0.00 H new ATOM 1147 N TYR A 85 4.742 1.334 -7.083 1.00 0.00 N ATOM 1148 CA TYR A 85 3.591 2.232 -7.122 1.00 0.00 C ATOM 1149 C TYR A 85 2.473 1.764 -6.195 1.00 0.00 C ATOM 1150 O TYR A 85 2.328 0.571 -5.928 1.00 0.00 O ATOM 1151 CB TYR A 85 3.058 2.342 -8.552 1.00 0.00 C ATOM 1152 CG TYR A 85 3.930 3.173 -9.468 1.00 0.00 C ATOM 1153 CD1 TYR A 85 5.315 3.083 -9.412 1.00 0.00 C ATOM 1154 CD2 TYR A 85 3.365 4.044 -10.390 1.00 0.00 C ATOM 1155 CE1 TYR A 85 6.113 3.839 -10.250 1.00 0.00 C ATOM 1156 CE2 TYR A 85 4.156 4.804 -11.231 1.00 0.00 C ATOM 1157 CZ TYR A 85 5.529 4.698 -11.157 1.00 0.00 C ATOM 1158 OH TYR A 85 6.320 5.451 -11.993 1.00 0.00 O ATOM 0 H TYR A 85 4.738 0.615 -7.807 1.00 0.00 H new ATOM 0 HA TYR A 85 3.928 3.209 -6.777 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.959 1.340 -8.971 1.00 0.00 H new ATOM 0 HB3 TYR A 85 2.059 2.776 -8.525 1.00 0.00 H new ATOM 0 HD1 TYR A 85 5.776 2.412 -8.702 1.00 0.00 H new ATOM 0 HD2 TYR A 85 2.290 4.129 -10.451 1.00 0.00 H new ATOM 0 HE1 TYR A 85 7.188 3.757 -10.195 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.701 5.477 -11.942 1.00 0.00 H new ATOM 0 HH TYR A 85 6.630 6.250 -11.518 1.00 0.00 H new ATOM 1168 N ILE A 86 1.680 2.721 -5.718 1.00 0.00 N ATOM 1169 CA ILE A 86 0.565 2.432 -4.831 1.00 0.00 C ATOM 1170 C ILE A 86 -0.726 3.037 -5.381 1.00 0.00 C ATOM 1171 O ILE A 86 -0.723 4.150 -5.909 1.00 0.00 O ATOM 1172 CB ILE A 86 0.838 2.980 -3.413 1.00 0.00 C ATOM 1173 CG1 ILE A 86 1.779 2.043 -2.656 1.00 0.00 C ATOM 1174 CG2 ILE A 86 -0.459 3.169 -2.641 1.00 0.00 C ATOM 1175 CD1 ILE A 86 2.862 2.766 -1.886 1.00 0.00 C ATOM 0 H ILE A 86 1.794 3.711 -5.936 1.00 0.00 H new ATOM 0 HA ILE A 86 0.452 1.349 -4.772 1.00 0.00 H new ATOM 0 HB ILE A 86 1.316 3.955 -3.511 1.00 0.00 H new ATOM 0 HG12 ILE A 86 1.195 1.437 -1.963 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.244 1.358 -3.365 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.237 3.556 -1.646 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.098 3.875 -3.171 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.972 2.212 -2.552 1.00 0.00 H new ATOM 0 HD11 ILE A 86 3.492 2.039 -1.374 1.00 0.00 H new ATOM 0 HD12 ILE A 86 3.471 3.351 -2.576 1.00 0.00 H new ATOM 0 HD13 ILE A 86 2.405 3.431 -1.153 1.00 0.00 H new ATOM 1187 N GLN A 87 -1.828 2.303 -5.256 1.00 0.00 N ATOM 1188 CA GLN A 87 -3.118 2.778 -5.744 1.00 0.00 C ATOM 1189 C GLN A 87 -4.269 2.082 -5.025 1.00 0.00 C ATOM 1190 O GLN A 87 -4.058 1.147 -4.253 1.00 0.00 O ATOM 1191 CB GLN A 87 -3.232 2.552 -7.252 1.00 0.00 C ATOM 1192 CG GLN A 87 -2.920 1.127 -7.678 1.00 0.00 C ATOM 1193 CD GLN A 87 -3.519 0.776 -9.027 1.00 0.00 C ATOM 1194 OE1 GLN A 87 -4.073 -0.308 -9.210 1.00 0.00 O ATOM 1195 NE2 GLN A 87 -3.411 1.695 -9.980 1.00 0.00 N ATOM 0 H GLN A 87 -1.853 1.380 -4.822 1.00 0.00 H new ATOM 0 HA GLN A 87 -3.181 3.846 -5.537 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -4.242 2.806 -7.574 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -2.553 3.233 -7.766 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -1.839 0.992 -7.719 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -3.299 0.436 -6.925 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -2.944 2.580 -9.784 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -3.796 1.516 -10.908 1.00 0.00 H new ATOM 1204 N PHE A 88 -5.488 2.547 -5.285 1.00 0.00 N ATOM 1205 CA PHE A 88 -6.676 1.971 -4.665 1.00 0.00 C ATOM 1206 C PHE A 88 -7.040 0.638 -5.313 1.00 0.00 C ATOM 1207 O PHE A 88 -7.153 0.543 -6.536 1.00 0.00 O ATOM 1208 CB PHE A 88 -7.858 2.936 -4.772 1.00 0.00 C ATOM 1209 CG PHE A 88 -7.485 4.376 -4.561 1.00 0.00 C ATOM 1210 CD1 PHE A 88 -7.364 4.894 -3.282 1.00 0.00 C ATOM 1211 CD2 PHE A 88 -7.259 5.211 -5.644 1.00 0.00 C ATOM 1212 CE1 PHE A 88 -7.024 6.220 -3.086 1.00 0.00 C ATOM 1213 CE2 PHE A 88 -6.920 6.538 -5.454 1.00 0.00 C ATOM 1214 CZ PHE A 88 -6.802 7.042 -4.174 1.00 0.00 C ATOM 0 H PHE A 88 -5.678 3.321 -5.921 1.00 0.00 H new ATOM 0 HA PHE A 88 -6.451 1.797 -3.613 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -8.315 2.829 -5.756 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -8.613 2.654 -4.038 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -7.537 4.255 -2.429 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -7.349 4.821 -6.647 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -6.932 6.612 -2.084 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -6.748 7.179 -6.306 1.00 0.00 H new ATOM 0 HZ PHE A 88 -6.536 8.078 -4.023 1.00 0.00 H new