USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 710 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 51 ASN : amide:sc= -0.74 K(o=-0.35,f=-5.3!) USER MOD Set 1.2: A 74 LYS NZ :NH3+ -124:sc= 0.393 (180deg=-0.847) USER MOD Set 2.1: A 1 MET N :NH3+ 139:sc= -0.11! (180deg=-1.89!) USER MOD Set 2.2: A 76 GLN : amide:sc= -4.2! C(o=-4.3!,f=-5.8!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0809 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 162:sc= -0.0477 (180deg=-0.496) USER MOD Single : A 19 LYS NZ :NH3+ -150:sc= -0.113 (180deg=-0.567) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.436 K(o=-0.44,f=-1.4!) USER MOD Single : A 31 GLN :FLIP amide:sc= -1.08 F(o=-2.1,f=-1.1) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 37 GLN : amide:sc= -0.196 X(o=-0.2,f=-0.2) USER MOD Single : A 39 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.0417) USER MOD Single : A 43 GLN : amide:sc= -0.0237 K(o=-0.024,f=-1.7!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -161:sc=-0.00823 (180deg=-0.178) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.102 K(o=-0.1,f=-0.64) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -0.659 K(o=-0.66,f=-1.9) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -170:sc= -0.123 USER MOD Single : A 67 ASN : amide:sc= -6.66 K(o=-6.7,f=-11!) USER MOD Single : A 68 GLN : amide:sc= -0.184 X(o=-0.18,f=-0.35) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.171 USER MOD Single : A 72 GLN :FLIP amide:sc= -0.127 F(o=-0.99,f=-0.13) USER MOD Single : A 78 THR OG1 : rot 85:sc= 0.976 USER MOD Single : A 79 SER OG : rot 86:sc= 0.989 USER MOD Single : A 85 HIS : no HD1:sc= -0.877 X(o=-0.88,f=-0.57) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 87 HIS : no HD1:sc= -0.0757 X(o=-0.076,f=-0.096) USER MOD Single : A 88 HIS : no HD1:sc= -1.82! X(o=-1.8!,f=-2.2) USER MOD Single : A 89 HIS : no HD1:sc= -2.18 K(o=-2.2,f=-3.1!) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.620 -4.840 22.377 1.00 0.00 N ATOM 2 CA MET A 1 0.986 -3.494 21.854 1.00 0.00 C ATOM 3 C MET A 1 0.182 -3.208 20.591 1.00 0.00 C ATOM 4 O MET A 1 -0.625 -4.030 20.158 1.00 0.00 O ATOM 5 CB MET A 1 2.483 -3.460 21.536 1.00 0.00 C ATOM 6 CG MET A 1 2.879 -4.736 20.786 1.00 0.00 C ATOM 7 SD MET A 1 3.005 -6.115 21.952 1.00 0.00 S ATOM 8 CE MET A 1 4.729 -5.851 22.431 1.00 0.00 C ATOM 0 H1 MET A 1 1.477 -5.331 22.701 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.041 -4.735 23.173 1.00 0.00 H new ATOM 0 H3 MET A 1 0.168 -5.394 21.622 1.00 0.00 H new ATOM 0 HA MET A 1 0.762 -2.735 22.604 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.717 -2.584 20.931 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.059 -3.374 22.458 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.139 -4.963 20.018 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.832 -4.589 20.277 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.024 -6.606 23.160 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.367 -5.928 21.551 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.837 -4.860 22.871 1.00 0.00 H new ATOM 20 N GLY A 2 0.409 -2.038 20.002 1.00 0.00 N ATOM 21 CA GLY A 2 -0.300 -1.654 18.787 1.00 0.00 C ATOM 22 C GLY A 2 -1.699 -1.144 19.112 1.00 0.00 C ATOM 23 O GLY A 2 -2.520 -0.939 18.218 1.00 0.00 O ATOM 0 H GLY A 2 1.074 -1.344 20.344 1.00 0.00 H new ATOM 0 HA2 GLY A 2 0.261 -0.880 18.263 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -0.367 -2.509 18.115 1.00 0.00 H new ATOM 27 N GLN A 3 -1.964 -0.939 20.398 1.00 0.00 N ATOM 28 CA GLN A 3 -3.269 -0.452 20.831 1.00 0.00 C ATOM 29 C GLN A 3 -4.381 -1.339 20.282 1.00 0.00 C ATOM 30 O GLN A 3 -4.119 -2.411 19.738 1.00 0.00 O ATOM 31 CB GLN A 3 -3.477 0.985 20.350 1.00 0.00 C ATOM 32 CG GLN A 3 -2.504 1.913 21.080 1.00 0.00 C ATOM 33 CD GLN A 3 -2.673 3.343 20.579 1.00 0.00 C ATOM 34 OE1 GLN A 3 -3.583 3.626 19.800 1.00 0.00 O ATOM 35 NE2 GLN A 3 -1.841 4.267 20.979 1.00 0.00 N ATOM 0 H GLN A 3 -1.298 -1.101 21.154 1.00 0.00 H new ATOM 0 HA GLN A 3 -3.302 -0.479 21.920 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -3.317 1.046 19.274 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -4.504 1.297 20.537 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -2.685 1.871 22.154 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -1.479 1.580 20.916 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -1.088 4.030 21.625 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -1.945 5.225 20.646 1.00 0.00 H new ATOM 44 N ILE A 4 -5.623 -0.882 20.427 1.00 0.00 N ATOM 45 CA ILE A 4 -6.773 -1.639 19.941 1.00 0.00 C ATOM 46 C ILE A 4 -7.071 -1.287 18.488 1.00 0.00 C ATOM 47 O ILE A 4 -7.154 -0.114 18.128 1.00 0.00 O ATOM 48 CB ILE A 4 -7.992 -1.352 20.799 1.00 0.00 C ATOM 49 CG1 ILE A 4 -7.745 -1.852 22.227 1.00 0.00 C ATOM 50 CG2 ILE A 4 -9.217 -2.062 20.217 1.00 0.00 C ATOM 51 CD1 ILE A 4 -8.854 -1.338 23.150 1.00 0.00 C ATOM 0 H ILE A 4 -5.858 0.004 20.875 1.00 0.00 H new ATOM 0 HA ILE A 4 -6.534 -2.701 20.003 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.172 -0.277 20.814 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -7.721 -2.942 22.243 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -6.774 -1.507 22.581 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -10.088 -1.852 20.837 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -9.398 -1.703 19.204 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -9.038 -3.137 20.195 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -8.677 -1.694 24.165 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -8.857 -0.248 23.143 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -9.819 -1.705 22.800 1.00 0.00 H new ATOM 63 N PHE A 5 -7.227 -2.313 17.654 1.00 0.00 N ATOM 64 CA PHE A 5 -7.515 -2.092 16.241 1.00 0.00 C ATOM 65 C PHE A 5 -8.927 -1.546 16.065 1.00 0.00 C ATOM 66 O PHE A 5 -9.902 -2.159 16.499 1.00 0.00 O ATOM 67 CB PHE A 5 -7.378 -3.410 15.473 1.00 0.00 C ATOM 68 CG PHE A 5 -5.918 -3.772 15.346 1.00 0.00 C ATOM 69 CD1 PHE A 5 -5.151 -3.228 14.308 1.00 0.00 C ATOM 70 CD2 PHE A 5 -5.330 -4.648 16.265 1.00 0.00 C ATOM 71 CE1 PHE A 5 -3.795 -3.560 14.191 1.00 0.00 C ATOM 72 CE2 PHE A 5 -3.974 -4.980 16.148 1.00 0.00 C ATOM 73 CZ PHE A 5 -3.208 -4.436 15.111 1.00 0.00 C ATOM 0 H PHE A 5 -7.160 -3.293 17.928 1.00 0.00 H new ATOM 0 HA PHE A 5 -6.804 -1.365 15.850 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -7.916 -4.203 15.992 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -7.827 -3.315 14.484 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -5.605 -2.553 13.598 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.922 -5.068 17.065 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -3.203 -3.140 13.391 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -3.520 -5.656 16.858 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.163 -4.692 15.021 1.00 0.00 H new ATOM 83 N THR A 6 -9.028 -0.392 15.415 1.00 0.00 N ATOM 84 CA THR A 6 -10.327 0.233 15.173 1.00 0.00 C ATOM 85 C THR A 6 -10.988 -0.364 13.936 1.00 0.00 C ATOM 86 O THR A 6 -10.346 -1.058 13.148 1.00 0.00 O ATOM 87 CB THR A 6 -10.154 1.747 14.995 1.00 0.00 C ATOM 88 OG1 THR A 6 -8.970 2.001 14.252 1.00 0.00 O ATOM 89 CG2 THR A 6 -10.065 2.423 16.360 1.00 0.00 C ATOM 0 H THR A 6 -8.232 0.129 15.047 1.00 0.00 H new ATOM 0 HA THR A 6 -10.968 0.044 16.034 1.00 0.00 H new ATOM 0 HB THR A 6 -11.013 2.149 14.457 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.858 2.968 14.135 1.00 0.00 H new ATOM 0 HG21 THR A 6 -9.942 3.498 16.226 1.00 0.00 H new ATOM 0 HG22 THR A 6 -10.978 2.229 16.922 1.00 0.00 H new ATOM 0 HG23 THR A 6 -9.211 2.026 16.908 1.00 0.00 H new ATOM 97 N VAL A 7 -12.282 -0.095 13.784 1.00 0.00 N ATOM 98 CA VAL A 7 -13.026 -0.617 12.646 1.00 0.00 C ATOM 99 C VAL A 7 -12.458 -0.081 11.341 1.00 0.00 C ATOM 100 O VAL A 7 -12.236 -0.838 10.400 1.00 0.00 O ATOM 101 CB VAL A 7 -14.499 -0.222 12.759 1.00 0.00 C ATOM 102 CG1 VAL A 7 -15.282 -0.815 11.583 1.00 0.00 C ATOM 103 CG2 VAL A 7 -15.065 -0.747 14.078 1.00 0.00 C ATOM 0 H VAL A 7 -12.830 0.475 14.428 1.00 0.00 H new ATOM 0 HA VAL A 7 -12.938 -1.703 12.649 1.00 0.00 H new ATOM 0 HB VAL A 7 -14.589 0.864 12.735 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -16.332 -0.532 11.665 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -14.876 -0.434 10.646 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -15.196 -1.902 11.600 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -16.115 -0.466 14.161 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -14.976 -1.833 14.105 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -14.508 -0.316 14.910 1.00 0.00 H new ATOM 113 N GLN A 8 -12.224 1.229 11.294 1.00 0.00 N ATOM 114 CA GLN A 8 -11.682 1.858 10.092 1.00 0.00 C ATOM 115 C GLN A 8 -10.360 1.219 9.693 1.00 0.00 C ATOM 116 O GLN A 8 -10.098 0.994 8.511 1.00 0.00 O ATOM 117 CB GLN A 8 -11.481 3.356 10.328 1.00 0.00 C ATOM 118 CG GLN A 8 -12.842 4.051 10.389 1.00 0.00 C ATOM 119 CD GLN A 8 -12.650 5.549 10.606 1.00 0.00 C ATOM 120 OE1 GLN A 8 -11.829 6.175 9.932 1.00 0.00 O ATOM 121 NE2 GLN A 8 -13.363 6.168 11.506 1.00 0.00 N ATOM 0 H GLN A 8 -12.399 1.871 12.067 1.00 0.00 H new ATOM 0 HA GLN A 8 -12.396 1.712 9.281 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -10.936 3.518 11.258 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -10.878 3.783 9.527 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -13.391 3.876 9.464 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -13.439 3.631 11.199 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -14.042 5.650 12.063 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -13.241 7.170 11.652 1.00 0.00 H new ATOM 130 N GLU A 9 -9.522 0.937 10.685 1.00 0.00 N ATOM 131 CA GLU A 9 -8.225 0.333 10.418 1.00 0.00 C ATOM 132 C GLU A 9 -8.389 -1.066 9.839 1.00 0.00 C ATOM 133 O GLU A 9 -7.783 -1.405 8.822 1.00 0.00 O ATOM 134 CB GLU A 9 -7.412 0.256 11.718 1.00 0.00 C ATOM 135 CG GLU A 9 -5.938 -0.004 11.394 1.00 0.00 C ATOM 136 CD GLU A 9 -5.756 -1.440 10.913 1.00 0.00 C ATOM 137 OE1 GLU A 9 -6.486 -2.298 11.380 1.00 0.00 O ATOM 138 OE2 GLU A 9 -4.893 -1.659 10.079 1.00 0.00 O ATOM 0 H GLU A 9 -9.716 1.115 11.670 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.700 0.952 9.691 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.512 1.187 12.276 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -7.800 -0.540 12.354 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.597 0.691 10.627 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -5.326 0.173 12.278 1.00 0.00 H new ATOM 145 N LEU A 10 -9.214 -1.872 10.487 1.00 0.00 N ATOM 146 CA LEU A 10 -9.455 -3.229 10.025 1.00 0.00 C ATOM 147 C LEU A 10 -10.260 -3.225 8.733 1.00 0.00 C ATOM 148 O LEU A 10 -10.286 -4.213 8.002 1.00 0.00 O ATOM 149 CB LEU A 10 -10.202 -4.026 11.099 1.00 0.00 C ATOM 150 CG LEU A 10 -9.999 -5.537 10.867 1.00 0.00 C ATOM 151 CD1 LEU A 10 -8.717 -5.999 11.572 1.00 0.00 C ATOM 152 CD2 LEU A 10 -11.196 -6.312 11.430 1.00 0.00 C ATOM 0 H LEU A 10 -9.726 -1.612 11.330 1.00 0.00 H new ATOM 0 HA LEU A 10 -8.491 -3.700 9.832 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.838 -3.749 12.089 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -11.264 -3.784 11.071 1.00 0.00 H new ATOM 0 HG LEU A 10 -9.915 -5.727 9.797 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.576 -7.067 11.407 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.864 -5.453 11.169 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -8.800 -5.805 12.641 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -11.049 -7.379 11.264 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -11.284 -6.120 12.499 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -12.108 -5.989 10.927 1.00 0.00 H new ATOM 164 N LYS A 11 -10.946 -2.119 8.475 1.00 0.00 N ATOM 165 CA LYS A 11 -11.777 -2.014 7.284 1.00 0.00 C ATOM 166 C LYS A 11 -10.938 -2.230 6.027 1.00 0.00 C ATOM 167 O LYS A 11 -11.351 -2.938 5.109 1.00 0.00 O ATOM 168 CB LYS A 11 -12.434 -0.624 7.225 1.00 0.00 C ATOM 169 CG LYS A 11 -13.726 -0.688 6.412 1.00 0.00 C ATOM 170 CD LYS A 11 -14.433 0.662 6.466 1.00 0.00 C ATOM 171 CE LYS A 11 -15.800 0.543 5.790 1.00 0.00 C ATOM 172 NZ LYS A 11 -16.463 1.877 5.772 1.00 0.00 N ATOM 0 H LYS A 11 -10.944 -1.289 9.069 1.00 0.00 H new ATOM 0 HA LYS A 11 -12.549 -2.782 7.333 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -12.647 -0.271 8.234 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -11.747 0.093 6.775 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -13.504 -0.952 5.378 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -14.378 -1.467 6.807 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -14.553 0.982 7.501 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -13.832 1.421 5.966 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -15.683 0.169 4.773 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -16.421 -0.176 6.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -17.392 1.797 5.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -16.587 2.216 6.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -15.873 2.551 5.244 1.00 0.00 H new ATOM 186 N GLU A 12 -9.764 -1.607 5.991 1.00 0.00 N ATOM 187 CA GLU A 12 -8.882 -1.736 4.838 1.00 0.00 C ATOM 188 C GLU A 12 -8.415 -3.179 4.677 1.00 0.00 C ATOM 189 O GLU A 12 -8.442 -3.730 3.576 1.00 0.00 O ATOM 190 CB GLU A 12 -7.666 -0.823 5.009 1.00 0.00 C ATOM 191 CG GLU A 12 -8.112 0.640 4.952 1.00 0.00 C ATOM 192 CD GLU A 12 -6.916 1.559 5.178 1.00 0.00 C ATOM 193 OE1 GLU A 12 -5.834 1.044 5.409 1.00 0.00 O ATOM 194 OE2 GLU A 12 -7.101 2.763 5.118 1.00 0.00 O ATOM 0 H GLU A 12 -9.405 -1.014 6.739 1.00 0.00 H new ATOM 0 HA GLU A 12 -9.436 -1.444 3.946 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -7.176 -1.028 5.961 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.936 -1.022 4.225 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -8.567 0.853 3.985 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -8.873 0.827 5.710 1.00 0.00 H new ATOM 201 N ARG A 13 -7.992 -3.785 5.779 1.00 0.00 N ATOM 202 CA ARG A 13 -7.522 -5.166 5.749 1.00 0.00 C ATOM 203 C ARG A 13 -8.683 -6.126 5.508 1.00 0.00 C ATOM 204 O ARG A 13 -8.539 -7.128 4.813 1.00 0.00 O ATOM 205 CB ARG A 13 -6.834 -5.515 7.070 1.00 0.00 C ATOM 206 CG ARG A 13 -5.507 -4.760 7.168 1.00 0.00 C ATOM 207 CD ARG A 13 -4.829 -5.092 8.499 1.00 0.00 C ATOM 208 NE ARG A 13 -3.575 -4.356 8.624 1.00 0.00 N ATOM 209 CZ ARG A 13 -2.490 -4.731 7.955 1.00 0.00 C ATOM 210 NH1 ARG A 13 -2.534 -5.772 7.170 1.00 0.00 N ATOM 211 NH2 ARG A 13 -1.380 -4.057 8.084 1.00 0.00 N ATOM 0 H ARG A 13 -7.964 -3.346 6.699 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.809 -5.266 4.931 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.478 -5.251 7.909 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.659 -6.589 7.129 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.857 -5.036 6.338 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -5.681 -3.686 7.094 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.492 -4.838 9.326 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.638 -6.163 8.561 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.531 -3.540 9.235 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.402 -6.299 7.069 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -1.701 -6.059 6.657 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -1.346 -3.243 8.698 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -0.546 -4.344 7.571 1.00 0.00 H new ATOM 225 N ALA A 14 -9.833 -5.811 6.094 1.00 0.00 N ATOM 226 CA ALA A 14 -11.014 -6.653 5.945 1.00 0.00 C ATOM 227 C ALA A 14 -11.598 -6.516 4.544 1.00 0.00 C ATOM 228 O ALA A 14 -12.462 -7.295 4.145 1.00 0.00 O ATOM 229 CB ALA A 14 -12.072 -6.261 6.980 1.00 0.00 C ATOM 0 H ALA A 14 -9.972 -4.983 6.674 1.00 0.00 H new ATOM 0 HA ALA A 14 -10.717 -7.690 6.103 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -12.950 -6.895 6.861 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -11.665 -6.390 7.983 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -12.355 -5.219 6.834 1.00 0.00 H new ATOM 235 N LYS A 15 -11.123 -5.517 3.806 1.00 0.00 N ATOM 236 CA LYS A 15 -11.609 -5.286 2.451 1.00 0.00 C ATOM 237 C LYS A 15 -11.256 -6.455 1.548 1.00 0.00 C ATOM 238 O LYS A 15 -12.100 -6.923 0.787 1.00 0.00 O ATOM 239 CB LYS A 15 -10.998 -4.005 1.881 1.00 0.00 C ATOM 240 CG LYS A 15 -11.618 -3.702 0.518 1.00 0.00 C ATOM 241 CD LYS A 15 -11.041 -2.392 -0.020 1.00 0.00 C ATOM 242 CE LYS A 15 -11.641 -2.101 -1.393 1.00 0.00 C ATOM 243 NZ LYS A 15 -13.112 -1.901 -1.265 1.00 0.00 N ATOM 0 H LYS A 15 -10.409 -4.860 4.120 1.00 0.00 H new ATOM 0 HA LYS A 15 -12.693 -5.184 2.494 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -11.171 -3.173 2.563 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -9.918 -4.118 1.783 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -11.412 -4.516 -0.177 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.702 -3.626 0.607 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -11.262 -1.575 0.667 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.956 -2.462 -0.092 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -11.179 -1.212 -1.821 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.434 -2.927 -2.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -13.471 -1.414 -2.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -13.581 -2.825 -1.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -13.312 -1.325 -0.423 1.00 0.00 H new ATOM 257 N VAL A 16 -10.008 -6.924 1.641 1.00 0.00 N ATOM 258 CA VAL A 16 -9.544 -8.050 0.827 1.00 0.00 C ATOM 259 C VAL A 16 -10.207 -8.029 -0.548 1.00 0.00 C ATOM 260 O VAL A 16 -10.457 -6.965 -1.108 1.00 0.00 O ATOM 261 CB VAL A 16 -9.859 -9.372 1.539 1.00 0.00 C ATOM 262 CG1 VAL A 16 -9.117 -9.422 2.877 1.00 0.00 C ATOM 263 CG2 VAL A 16 -11.370 -9.486 1.790 1.00 0.00 C ATOM 0 H VAL A 16 -9.303 -6.542 2.271 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.466 -7.961 0.693 1.00 0.00 H new ATOM 0 HB VAL A 16 -9.536 -10.201 0.909 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -9.341 -10.361 3.382 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.044 -9.352 2.701 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.437 -8.588 3.502 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.585 -10.427 2.296 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -11.699 -8.655 2.414 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -11.900 -9.456 0.838 1.00 0.00 H new ATOM 273 N PHE A 17 -10.513 -9.212 -1.074 1.00 0.00 N ATOM 274 CA PHE A 17 -11.173 -9.321 -2.369 1.00 0.00 C ATOM 275 C PHE A 17 -12.124 -10.513 -2.390 1.00 0.00 C ATOM 276 O PHE A 17 -11.965 -11.463 -1.623 1.00 0.00 O ATOM 277 CB PHE A 17 -10.122 -9.478 -3.464 1.00 0.00 C ATOM 278 CG PHE A 17 -9.316 -10.728 -3.208 1.00 0.00 C ATOM 279 CD1 PHE A 17 -8.165 -10.668 -2.412 1.00 0.00 C ATOM 280 CD2 PHE A 17 -9.714 -11.946 -3.770 1.00 0.00 C ATOM 281 CE1 PHE A 17 -7.416 -11.826 -2.175 1.00 0.00 C ATOM 282 CE2 PHE A 17 -8.964 -13.105 -3.534 1.00 0.00 C ATOM 283 CZ PHE A 17 -7.815 -13.045 -2.738 1.00 0.00 C ATOM 0 H PHE A 17 -10.315 -10.106 -0.624 1.00 0.00 H new ATOM 0 HA PHE A 17 -11.753 -8.415 -2.545 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -10.603 -9.536 -4.440 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -9.467 -8.607 -3.483 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -7.855 -9.727 -1.981 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -10.600 -11.992 -4.386 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -6.531 -11.780 -1.558 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -9.273 -14.045 -3.967 1.00 0.00 H new ATOM 0 HZ PHE A 17 -7.236 -13.938 -2.558 1.00 0.00 H new ATOM 293 N ALA A 18 -13.116 -10.450 -3.274 1.00 0.00 N ATOM 294 CA ALA A 18 -14.091 -11.529 -3.392 1.00 0.00 C ATOM 295 C ALA A 18 -14.649 -11.886 -2.030 1.00 0.00 C ATOM 296 O ALA A 18 -14.538 -13.031 -1.586 1.00 0.00 O ATOM 297 CB ALA A 18 -13.432 -12.761 -4.014 1.00 0.00 C ATOM 0 H ALA A 18 -13.265 -9.670 -3.914 1.00 0.00 H new ATOM 0 HA ALA A 18 -14.907 -11.192 -4.032 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -14.166 -13.562 -4.099 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -13.053 -12.510 -5.005 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -12.607 -13.090 -3.382 1.00 0.00 H new ATOM 303 N LYS A 19 -15.254 -10.897 -1.362 1.00 0.00 N ATOM 304 CA LYS A 19 -15.823 -11.129 -0.048 1.00 0.00 C ATOM 305 C LYS A 19 -17.355 -11.213 -0.134 1.00 0.00 C ATOM 306 O LYS A 19 -18.021 -10.216 -0.403 1.00 0.00 O ATOM 307 CB LYS A 19 -15.407 -10.000 0.912 1.00 0.00 C ATOM 308 CG LYS A 19 -14.904 -10.603 2.242 1.00 0.00 C ATOM 309 CD LYS A 19 -16.104 -11.126 3.060 1.00 0.00 C ATOM 310 CE LYS A 19 -16.635 -10.007 3.956 1.00 0.00 C ATOM 311 NZ LYS A 19 -15.652 -9.748 5.043 1.00 0.00 N ATOM 0 H LYS A 19 -15.357 -9.944 -1.711 1.00 0.00 H new ATOM 0 HA LYS A 19 -15.445 -12.077 0.334 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -14.623 -9.394 0.457 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -16.253 -9.339 1.099 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -14.205 -11.415 2.043 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -14.363 -9.849 2.813 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -16.890 -11.475 2.390 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -15.800 -11.979 3.667 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -16.797 -9.101 3.371 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -17.599 -10.289 4.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -16.152 -9.414 5.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -15.142 -10.626 5.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -14.974 -9.023 4.733 1.00 0.00 H new ATOM 325 N PRO A 20 -17.917 -12.370 0.116 1.00 0.00 N ATOM 326 CA PRO A 20 -19.396 -12.563 0.092 1.00 0.00 C ATOM 327 C PRO A 20 -20.119 -11.567 1.000 1.00 0.00 C ATOM 328 O PRO A 20 -19.641 -11.236 2.086 1.00 0.00 O ATOM 329 CB PRO A 20 -19.581 -14.003 0.600 1.00 0.00 C ATOM 330 CG PRO A 20 -18.284 -14.691 0.326 1.00 0.00 C ATOM 331 CD PRO A 20 -17.212 -13.627 0.422 1.00 0.00 C ATOM 0 HA PRO A 20 -19.817 -12.399 -0.900 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -19.816 -14.017 1.664 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -20.405 -14.498 0.086 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -18.106 -15.488 1.048 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -18.289 -15.151 -0.662 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -16.766 -13.601 1.416 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -16.404 -13.812 -0.285 1.00 0.00 H new ATOM 339 N ILE A 21 -21.274 -11.097 0.547 1.00 0.00 N ATOM 340 CA ILE A 21 -22.066 -10.146 1.321 1.00 0.00 C ATOM 341 C ILE A 21 -22.949 -10.876 2.327 1.00 0.00 C ATOM 342 O ILE A 21 -23.436 -11.973 2.060 1.00 0.00 O ATOM 343 CB ILE A 21 -22.934 -9.307 0.383 1.00 0.00 C ATOM 344 CG1 ILE A 21 -23.836 -10.230 -0.443 1.00 0.00 C ATOM 345 CG2 ILE A 21 -22.039 -8.496 -0.556 1.00 0.00 C ATOM 346 CD1 ILE A 21 -24.760 -9.386 -1.321 1.00 0.00 C ATOM 0 H ILE A 21 -21.684 -11.357 -0.350 1.00 0.00 H new ATOM 0 HA ILE A 21 -21.386 -9.491 1.866 1.00 0.00 H new ATOM 0 HB ILE A 21 -23.550 -8.628 0.972 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -23.229 -10.889 -1.064 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -24.425 -10.867 0.217 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -22.659 -7.898 -1.224 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -21.399 -7.837 0.031 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -21.420 -9.174 -1.145 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -25.402 -10.042 -1.909 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -25.376 -8.745 -0.690 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -24.161 -8.768 -1.991 1.00 0.00 H new ATOM 358 N GLY A 22 -23.150 -10.258 3.485 1.00 0.00 N ATOM 359 CA GLY A 22 -23.978 -10.857 4.524 1.00 0.00 C ATOM 360 C GLY A 22 -24.428 -9.807 5.534 1.00 0.00 C ATOM 361 O GLY A 22 -24.968 -8.765 5.163 1.00 0.00 O ATOM 0 H GLY A 22 -22.754 -9.350 3.727 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -24.850 -11.330 4.072 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -23.418 -11.641 5.034 1.00 0.00 H new ATOM 365 N ALA A 23 -24.204 -10.089 6.814 1.00 0.00 N ATOM 366 CA ALA A 23 -24.593 -9.162 7.870 1.00 0.00 C ATOM 367 C ALA A 23 -23.900 -9.520 9.180 1.00 0.00 C ATOM 368 O ALA A 23 -23.802 -8.695 10.088 1.00 0.00 O ATOM 369 CB ALA A 23 -26.110 -9.203 8.067 1.00 0.00 C ATOM 0 H ALA A 23 -23.758 -10.946 7.143 1.00 0.00 H new ATOM 0 HA ALA A 23 -24.291 -8.157 7.575 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -26.393 -8.508 8.857 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -26.605 -8.918 7.139 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -26.414 -10.212 8.345 1.00 0.00 H new ATOM 375 N SER A 24 -23.421 -10.756 9.272 1.00 0.00 N ATOM 376 CA SER A 24 -22.738 -11.212 10.478 1.00 0.00 C ATOM 377 C SER A 24 -21.295 -10.715 10.497 1.00 0.00 C ATOM 378 O SER A 24 -20.635 -10.739 11.534 1.00 0.00 O ATOM 379 CB SER A 24 -22.754 -12.739 10.541 1.00 0.00 C ATOM 380 OG SER A 24 -22.093 -13.264 9.397 1.00 0.00 O ATOM 0 H SER A 24 -23.492 -11.455 8.533 1.00 0.00 H new ATOM 0 HA SER A 24 -23.261 -10.807 11.344 1.00 0.00 H new ATOM 0 HB2 SER A 24 -22.260 -13.082 11.450 1.00 0.00 H new ATOM 0 HB3 SER A 24 -23.781 -13.102 10.580 1.00 0.00 H new ATOM 0 HG SER A 24 -22.100 -14.243 9.436 1.00 0.00 H new ATOM 386 N TYR A 25 -20.812 -10.268 9.341 1.00 0.00 N ATOM 387 CA TYR A 25 -19.444 -9.772 9.240 1.00 0.00 C ATOM 388 C TYR A 25 -19.303 -8.434 9.958 1.00 0.00 C ATOM 389 O TYR A 25 -18.344 -8.214 10.698 1.00 0.00 O ATOM 390 CB TYR A 25 -19.060 -9.602 7.768 1.00 0.00 C ATOM 391 CG TYR A 25 -19.106 -10.944 7.077 1.00 0.00 C ATOM 392 CD1 TYR A 25 -20.311 -11.412 6.539 1.00 0.00 C ATOM 393 CD2 TYR A 25 -17.946 -11.720 6.976 1.00 0.00 C ATOM 394 CE1 TYR A 25 -20.354 -12.657 5.898 1.00 0.00 C ATOM 395 CE2 TYR A 25 -17.989 -12.964 6.335 1.00 0.00 C ATOM 396 CZ TYR A 25 -19.193 -13.433 5.797 1.00 0.00 C ATOM 397 OH TYR A 25 -19.236 -14.659 5.165 1.00 0.00 O ATOM 0 H TYR A 25 -21.342 -10.239 8.470 1.00 0.00 H new ATOM 0 HA TYR A 25 -18.780 -10.496 9.711 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -19.744 -8.907 7.281 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -18.060 -9.174 7.689 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -21.207 -10.814 6.618 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -17.017 -11.359 7.393 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -21.283 -13.018 5.482 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -17.093 -13.562 6.256 1.00 0.00 H new ATOM 0 HH TYR A 25 -18.345 -15.067 5.181 1.00 0.00 H new ATOM 407 N GLN A 26 -20.267 -7.546 9.740 1.00 0.00 N ATOM 408 CA GLN A 26 -20.245 -6.234 10.376 1.00 0.00 C ATOM 409 C GLN A 26 -20.425 -6.365 11.885 1.00 0.00 C ATOM 410 O GLN A 26 -19.936 -5.536 12.653 1.00 0.00 O ATOM 411 CB GLN A 26 -21.354 -5.352 9.802 1.00 0.00 C ATOM 412 CG GLN A 26 -22.676 -6.119 9.819 1.00 0.00 C ATOM 413 CD GLN A 26 -23.829 -5.180 9.481 1.00 0.00 C ATOM 414 OE1 GLN A 26 -23.772 -3.990 9.791 1.00 0.00 O ATOM 415 NE2 GLN A 26 -24.878 -5.645 8.860 1.00 0.00 N ATOM 0 H GLN A 26 -21.069 -7.709 9.131 1.00 0.00 H new ATOM 0 HA GLN A 26 -19.278 -5.773 10.176 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -21.445 -4.437 10.387 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -21.106 -5.055 8.783 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -22.640 -6.937 9.100 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -22.835 -6.564 10.801 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -24.924 -6.631 8.604 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -25.653 -5.022 8.631 1.00 0.00 H new ATOM 424 N GLY A 27 -21.136 -7.407 12.302 1.00 0.00 N ATOM 425 CA GLY A 27 -21.384 -7.633 13.721 1.00 0.00 C ATOM 426 C GLY A 27 -20.076 -7.838 14.477 1.00 0.00 C ATOM 427 O GLY A 27 -19.949 -7.446 15.636 1.00 0.00 O ATOM 0 H GLY A 27 -21.548 -8.104 11.682 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -21.921 -6.782 14.140 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -22.023 -8.507 13.848 1.00 0.00 H new ATOM 431 N ILE A 28 -19.106 -8.455 13.809 1.00 0.00 N ATOM 432 CA ILE A 28 -17.811 -8.708 14.426 1.00 0.00 C ATOM 433 C ILE A 28 -17.047 -7.408 14.612 1.00 0.00 C ATOM 434 O ILE A 28 -16.167 -7.319 15.460 1.00 0.00 O ATOM 435 CB ILE A 28 -16.992 -9.667 13.559 1.00 0.00 C ATOM 436 CG1 ILE A 28 -17.691 -11.027 13.514 1.00 0.00 C ATOM 437 CG2 ILE A 28 -15.590 -9.832 14.157 1.00 0.00 C ATOM 438 CD1 ILE A 28 -17.009 -11.917 12.473 1.00 0.00 C ATOM 0 H ILE A 28 -19.192 -8.786 12.848 1.00 0.00 H new ATOM 0 HA ILE A 28 -17.979 -9.161 15.403 1.00 0.00 H new ATOM 0 HB ILE A 28 -16.908 -9.264 12.550 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -17.652 -11.501 14.495 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -18.744 -10.898 13.264 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -15.009 -10.515 13.538 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -15.093 -8.862 14.192 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -15.670 -10.236 15.166 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -17.507 -12.886 12.441 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -17.072 -11.444 11.493 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -15.962 -12.056 12.743 1.00 0.00 H new ATOM 450 N LEU A 29 -17.380 -6.403 13.805 1.00 0.00 N ATOM 451 CA LEU A 29 -16.709 -5.105 13.886 1.00 0.00 C ATOM 452 C LEU A 29 -17.459 -4.174 14.827 1.00 0.00 C ATOM 453 O LEU A 29 -16.848 -3.407 15.566 1.00 0.00 O ATOM 454 CB LEU A 29 -16.636 -4.478 12.486 1.00 0.00 C ATOM 455 CG LEU A 29 -15.461 -5.091 11.714 1.00 0.00 C ATOM 456 CD1 LEU A 29 -14.119 -4.637 12.329 1.00 0.00 C ATOM 457 CD2 LEU A 29 -15.563 -6.625 11.763 1.00 0.00 C ATOM 0 H LEU A 29 -18.106 -6.460 13.091 1.00 0.00 H new ATOM 0 HA LEU A 29 -15.701 -5.254 14.274 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -17.568 -4.651 11.949 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -16.510 -3.398 12.565 1.00 0.00 H new ATOM 0 HG LEU A 29 -15.502 -4.754 10.678 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -13.294 -5.080 11.771 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -14.046 -3.550 12.282 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -14.068 -4.960 13.369 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -14.729 -7.063 11.215 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -15.531 -6.959 12.800 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -16.502 -6.942 11.309 1.00 0.00 H new ATOM 469 N ASP A 30 -18.778 -4.237 14.783 1.00 0.00 N ATOM 470 CA ASP A 30 -19.597 -3.382 15.633 1.00 0.00 C ATOM 471 C ASP A 30 -19.317 -3.664 17.105 1.00 0.00 C ATOM 472 O ASP A 30 -19.497 -2.796 17.959 1.00 0.00 O ATOM 473 CB ASP A 30 -21.079 -3.619 15.338 1.00 0.00 C ATOM 474 CG ASP A 30 -21.428 -3.075 13.956 1.00 0.00 C ATOM 475 OD1 ASP A 30 -20.640 -2.309 13.426 1.00 0.00 O ATOM 476 OD2 ASP A 30 -22.479 -3.432 13.450 1.00 0.00 O ATOM 0 H ASP A 30 -19.304 -4.864 14.175 1.00 0.00 H new ATOM 0 HA ASP A 30 -19.346 -2.343 15.421 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -21.302 -4.685 15.386 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -21.692 -3.131 16.096 1.00 0.00 H new ATOM 481 N GLN A 31 -18.880 -4.884 17.395 1.00 0.00 N ATOM 482 CA GLN A 31 -18.583 -5.271 18.768 1.00 0.00 C ATOM 483 C GLN A 31 -17.371 -4.504 19.290 1.00 0.00 C ATOM 484 O GLN A 31 -17.298 -4.173 20.473 1.00 0.00 O ATOM 485 CB GLN A 31 -18.311 -6.776 18.842 1.00 0.00 C ATOM 486 CG GLN A 31 -18.197 -7.205 20.306 1.00 0.00 C ATOM 487 CD GLN A 31 -19.554 -7.084 20.991 1.00 0.00 C ATOM 488 OE1 GLN A 31 -19.619 -6.648 22.219 1.00 0.00 O flip ATOM 489 NE2 GLN A 31 -20.583 -7.396 20.392 1.00 0.00 N flip ATOM 0 H GLN A 31 -18.724 -5.617 16.703 1.00 0.00 H new ATOM 0 HA GLN A 31 -19.446 -5.030 19.388 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -19.115 -7.326 18.353 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -17.391 -7.016 18.309 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -17.840 -8.233 20.366 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -17.464 -6.583 20.820 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -20.531 -7.737 19.432 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -21.488 -7.314 20.856 1.00 0.00 H new ATOM 498 N LEU A 32 -16.412 -4.244 18.406 1.00 0.00 N ATOM 499 CA LEU A 32 -15.202 -3.532 18.802 1.00 0.00 C ATOM 500 C LEU A 32 -15.547 -2.142 19.311 1.00 0.00 C ATOM 501 O LEU A 32 -15.027 -1.707 20.330 1.00 0.00 O ATOM 502 CB LEU A 32 -14.250 -3.418 17.600 1.00 0.00 C ATOM 503 CG LEU A 32 -13.455 -4.716 17.446 1.00 0.00 C ATOM 504 CD1 LEU A 32 -14.420 -5.899 17.367 1.00 0.00 C ATOM 505 CD2 LEU A 32 -12.623 -4.648 16.165 1.00 0.00 C ATOM 0 H LEU A 32 -16.448 -4.512 17.422 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.715 -4.089 19.602 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.818 -3.219 16.692 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -13.570 -2.578 17.741 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.795 -4.845 18.304 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.854 -6.824 17.257 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -15.016 -5.944 18.279 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -15.080 -5.774 16.509 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.055 -5.571 16.051 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.284 -4.521 15.308 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.936 -3.804 16.222 1.00 0.00 H new ATOM 517 N ASP A 33 -16.429 -1.454 18.604 1.00 0.00 N ATOM 518 CA ASP A 33 -16.840 -0.113 19.008 1.00 0.00 C ATOM 519 C ASP A 33 -17.584 -0.157 20.340 1.00 0.00 C ATOM 520 O ASP A 33 -17.426 0.726 21.184 1.00 0.00 O ATOM 521 CB ASP A 33 -17.736 0.504 17.935 1.00 0.00 C ATOM 522 CG ASP A 33 -16.906 0.846 16.700 1.00 0.00 C ATOM 523 OD1 ASP A 33 -15.694 0.902 16.820 1.00 0.00 O ATOM 524 OD2 ASP A 33 -17.498 1.042 15.651 1.00 0.00 O ATOM 0 H ASP A 33 -16.874 -1.796 17.752 1.00 0.00 H new ATOM 0 HA ASP A 33 -15.947 0.500 19.128 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -18.531 -0.192 17.668 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -18.216 1.403 18.322 1.00 0.00 H new ATOM 529 N LEU A 34 -18.402 -1.187 20.514 1.00 0.00 N ATOM 530 CA LEU A 34 -19.182 -1.342 21.736 1.00 0.00 C ATOM 531 C LEU A 34 -18.285 -1.723 22.904 1.00 0.00 C ATOM 532 O LEU A 34 -18.671 -1.585 24.062 1.00 0.00 O ATOM 533 CB LEU A 34 -20.259 -2.411 21.542 1.00 0.00 C ATOM 534 CG LEU A 34 -21.255 -1.946 20.469 1.00 0.00 C ATOM 535 CD1 LEU A 34 -22.154 -3.120 20.070 1.00 0.00 C ATOM 536 CD2 LEU A 34 -22.123 -0.796 21.010 1.00 0.00 C ATOM 0 H LEU A 34 -18.543 -1.927 19.826 1.00 0.00 H new ATOM 0 HA LEU A 34 -19.658 -0.387 21.959 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -19.801 -3.354 21.244 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -20.780 -2.593 22.482 1.00 0.00 H new ATOM 0 HG LEU A 34 -20.702 -1.591 19.600 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -22.862 -2.793 19.309 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -21.541 -3.929 19.672 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -22.699 -3.474 20.945 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -22.824 -0.476 20.239 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -22.676 -1.138 21.885 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -21.484 0.042 21.289 1.00 0.00 H new ATOM 548 N VAL A 35 -17.100 -2.222 22.590 1.00 0.00 N ATOM 549 CA VAL A 35 -16.172 -2.644 23.628 1.00 0.00 C ATOM 550 C VAL A 35 -15.903 -1.499 24.604 1.00 0.00 C ATOM 551 O VAL A 35 -15.578 -1.727 25.771 1.00 0.00 O ATOM 552 CB VAL A 35 -14.847 -3.096 22.984 1.00 0.00 C ATOM 553 CG1 VAL A 35 -13.928 -1.881 22.742 1.00 0.00 C ATOM 554 CG2 VAL A 35 -14.137 -4.093 23.911 1.00 0.00 C ATOM 0 H VAL A 35 -16.760 -2.344 21.636 1.00 0.00 H new ATOM 0 HA VAL A 35 -16.615 -3.475 24.177 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.066 -3.573 22.029 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.996 -2.215 22.287 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -14.425 -1.176 22.076 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -13.713 -1.392 23.692 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.200 -4.411 23.454 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.929 -3.615 24.868 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.777 -4.961 24.070 1.00 0.00 H new ATOM 564 N HIS A 36 -16.027 -0.272 24.113 1.00 0.00 N ATOM 565 CA HIS A 36 -15.786 0.903 24.941 1.00 0.00 C ATOM 566 C HIS A 36 -17.048 1.274 25.708 1.00 0.00 C ATOM 567 O HIS A 36 -16.980 1.750 26.839 1.00 0.00 O ATOM 568 CB HIS A 36 -15.348 2.081 24.069 1.00 0.00 C ATOM 569 CG HIS A 36 -14.884 3.208 24.951 1.00 0.00 C ATOM 570 ND1 HIS A 36 -13.693 3.153 25.658 1.00 0.00 N ATOM 571 CD2 HIS A 36 -15.441 4.427 25.250 1.00 0.00 C ATOM 572 CE1 HIS A 36 -13.573 4.305 26.342 1.00 0.00 C ATOM 573 NE2 HIS A 36 -14.612 5.117 26.129 1.00 0.00 N ATOM 0 H HIS A 36 -16.292 -0.065 23.150 1.00 0.00 H new ATOM 0 HA HIS A 36 -14.993 0.670 25.652 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -14.545 1.774 23.400 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -16.176 2.412 23.442 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -16.380 4.794 24.862 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -12.739 4.544 26.985 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -14.765 6.044 26.526 1.00 0.00 H new ATOM 581 N GLN A 37 -18.201 1.053 25.081 1.00 0.00 N ATOM 582 CA GLN A 37 -19.475 1.369 25.715 1.00 0.00 C ATOM 583 C GLN A 37 -19.894 0.244 26.660 1.00 0.00 C ATOM 584 O GLN A 37 -20.640 0.467 27.613 1.00 0.00 O ATOM 585 CB GLN A 37 -20.554 1.570 24.647 1.00 0.00 C ATOM 586 CG GLN A 37 -21.800 2.189 25.286 1.00 0.00 C ATOM 587 CD GLN A 37 -21.523 3.642 25.660 1.00 0.00 C ATOM 588 OE1 GLN A 37 -21.417 3.971 26.842 1.00 0.00 O ATOM 589 NE2 GLN A 37 -21.402 4.535 24.717 1.00 0.00 N ATOM 0 H GLN A 37 -18.278 0.660 24.143 1.00 0.00 H new ATOM 0 HA GLN A 37 -19.358 2.288 26.289 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -20.179 2.218 23.855 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -20.806 0.615 24.186 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -22.639 2.136 24.593 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -22.084 1.623 26.174 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -21.490 4.259 23.739 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -21.219 5.509 24.958 1.00 0.00 H new ATOM 598 N ALA A 38 -19.407 -0.964 26.390 1.00 0.00 N ATOM 599 CA ALA A 38 -19.738 -2.110 27.224 1.00 0.00 C ATOM 600 C ALA A 38 -19.036 -2.007 28.576 1.00 0.00 C ATOM 601 O ALA A 38 -17.879 -1.603 28.657 1.00 0.00 O ATOM 602 CB ALA A 38 -19.313 -3.401 26.522 1.00 0.00 C ATOM 0 H ALA A 38 -18.787 -1.172 25.607 1.00 0.00 H new ATOM 0 HA ALA A 38 -20.816 -2.122 27.388 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -19.563 -4.256 27.150 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -19.835 -3.486 25.569 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -18.238 -3.382 26.346 1.00 0.00 H new ATOM 608 N LYS A 39 -19.744 -2.377 29.632 1.00 0.00 N ATOM 609 CA LYS A 39 -19.183 -2.324 30.979 1.00 0.00 C ATOM 610 C LYS A 39 -18.247 -3.502 31.218 1.00 0.00 C ATOM 611 O LYS A 39 -18.056 -4.338 30.341 1.00 0.00 O ATOM 612 CB LYS A 39 -20.304 -2.341 32.018 1.00 0.00 C ATOM 613 CG LYS A 39 -21.189 -3.597 31.826 1.00 0.00 C ATOM 614 CD LYS A 39 -22.485 -3.238 31.093 1.00 0.00 C ATOM 615 CE LYS A 39 -23.453 -4.410 31.163 1.00 0.00 C ATOM 616 NZ LYS A 39 -24.129 -4.405 32.490 1.00 0.00 N ATOM 0 H LYS A 39 -20.705 -2.716 29.586 1.00 0.00 H new ATOM 0 HA LYS A 39 -18.615 -1.398 31.076 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -19.880 -2.336 33.022 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -20.911 -1.441 31.924 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -20.642 -4.351 31.260 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -21.423 -4.035 32.796 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -22.936 -2.354 31.543 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -22.270 -2.992 30.053 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -24.191 -4.336 30.365 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -22.918 -5.349 31.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -24.262 -5.384 32.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -23.543 -3.888 33.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -25.055 -3.939 32.406 1.00 0.00 H new ATOM 630 N GLY A 40 -17.674 -3.566 32.411 1.00 0.00 N ATOM 631 CA GLY A 40 -16.760 -4.650 32.746 1.00 0.00 C ATOM 632 C GLY A 40 -17.405 -6.009 32.516 1.00 0.00 C ATOM 633 O GLY A 40 -16.716 -7.002 32.305 1.00 0.00 O ATOM 0 H GLY A 40 -17.823 -2.887 33.158 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -15.857 -4.567 32.141 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -16.455 -4.562 33.789 1.00 0.00 H new ATOM 637 N ARG A 41 -18.731 -6.055 32.573 1.00 0.00 N ATOM 638 CA ARG A 41 -19.448 -7.313 32.377 1.00 0.00 C ATOM 639 C ARG A 41 -19.653 -7.596 30.890 1.00 0.00 C ATOM 640 O ARG A 41 -19.184 -8.608 30.372 1.00 0.00 O ATOM 641 CB ARG A 41 -20.809 -7.239 33.071 1.00 0.00 C ATOM 642 CG ARG A 41 -20.608 -7.160 34.585 1.00 0.00 C ATOM 643 CD ARG A 41 -21.968 -7.030 35.272 1.00 0.00 C ATOM 644 NE ARG A 41 -21.795 -6.987 36.723 1.00 0.00 N ATOM 645 CZ ARG A 41 -21.537 -5.845 37.352 1.00 0.00 C ATOM 646 NH1 ARG A 41 -21.430 -4.736 36.673 1.00 0.00 N ATOM 647 NH2 ARG A 41 -21.386 -5.833 38.650 1.00 0.00 N ATOM 0 H ARG A 41 -19.327 -5.247 32.751 1.00 0.00 H new ATOM 0 HA ARG A 41 -18.854 -8.120 32.807 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -21.360 -6.366 32.721 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -21.406 -8.115 32.818 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -20.092 -8.052 34.941 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -19.979 -6.306 34.835 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -22.472 -6.125 34.931 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -22.604 -7.872 34.998 1.00 0.00 H new ATOM 0 HE ARG A 41 -21.874 -7.849 37.262 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -21.544 -4.745 35.659 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -21.232 -3.860 37.156 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -21.466 -6.700 39.181 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -21.188 -4.956 39.132 1.00 0.00 H new ATOM 661 N ASP A 42 -20.356 -6.699 30.214 1.00 0.00 N ATOM 662 CA ASP A 42 -20.622 -6.859 28.791 1.00 0.00 C ATOM 663 C ASP A 42 -19.327 -6.808 27.992 1.00 0.00 C ATOM 664 O ASP A 42 -19.196 -7.465 26.959 1.00 0.00 O ATOM 665 CB ASP A 42 -21.575 -5.762 28.311 1.00 0.00 C ATOM 666 CG ASP A 42 -21.760 -5.861 26.797 1.00 0.00 C ATOM 667 OD1 ASP A 42 -21.368 -6.871 26.236 1.00 0.00 O ATOM 668 OD2 ASP A 42 -22.293 -4.926 26.221 1.00 0.00 O ATOM 0 H ASP A 42 -20.752 -5.854 30.626 1.00 0.00 H new ATOM 0 HA ASP A 42 -21.087 -7.832 28.634 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -22.538 -5.860 28.811 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -21.178 -4.782 28.574 1.00 0.00 H new ATOM 673 N GLN A 43 -18.375 -6.011 28.466 1.00 0.00 N ATOM 674 CA GLN A 43 -17.100 -5.871 27.774 1.00 0.00 C ATOM 675 C GLN A 43 -16.374 -7.212 27.720 1.00 0.00 C ATOM 676 O GLN A 43 -15.843 -7.600 26.681 1.00 0.00 O ATOM 677 CB GLN A 43 -16.223 -4.845 28.498 1.00 0.00 C ATOM 678 CG GLN A 43 -14.892 -4.696 27.761 1.00 0.00 C ATOM 679 CD GLN A 43 -14.083 -3.557 28.373 1.00 0.00 C ATOM 680 OE1 GLN A 43 -14.638 -2.699 29.059 1.00 0.00 O ATOM 681 NE2 GLN A 43 -12.796 -3.502 28.168 1.00 0.00 N ATOM 0 H GLN A 43 -18.461 -5.457 29.318 1.00 0.00 H new ATOM 0 HA GLN A 43 -17.294 -5.531 26.757 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -16.734 -3.883 28.544 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -16.047 -5.163 29.526 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -14.328 -5.627 27.820 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -15.072 -4.499 26.704 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -12.339 -4.215 27.599 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -12.246 -2.746 28.577 1.00 0.00 H new ATOM 690 N ILE A 44 -16.365 -7.921 28.840 1.00 0.00 N ATOM 691 CA ILE A 44 -15.716 -9.225 28.903 1.00 0.00 C ATOM 692 C ILE A 44 -16.442 -10.226 28.009 1.00 0.00 C ATOM 693 O ILE A 44 -15.813 -10.996 27.284 1.00 0.00 O ATOM 694 CB ILE A 44 -15.707 -9.736 30.347 1.00 0.00 C ATOM 695 CG1 ILE A 44 -14.773 -8.861 31.188 1.00 0.00 C ATOM 696 CG2 ILE A 44 -15.206 -11.183 30.380 1.00 0.00 C ATOM 697 CD1 ILE A 44 -14.975 -9.173 32.673 1.00 0.00 C ATOM 0 H ILE A 44 -16.797 -7.618 29.713 1.00 0.00 H new ATOM 0 HA ILE A 44 -14.690 -9.118 28.551 1.00 0.00 H new ATOM 0 HB ILE A 44 -16.718 -9.693 30.751 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -13.736 -9.043 30.906 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -14.975 -7.807 30.997 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -15.201 -11.543 31.409 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -15.865 -11.810 29.779 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -14.195 -11.227 29.975 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -14.309 -8.549 33.270 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -16.009 -8.969 32.950 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -14.750 -10.223 32.858 1.00 0.00 H new ATOM 709 N ALA A 45 -17.769 -10.209 28.068 1.00 0.00 N ATOM 710 CA ALA A 45 -18.571 -11.121 27.262 1.00 0.00 C ATOM 711 C ALA A 45 -18.295 -10.903 25.776 1.00 0.00 C ATOM 712 O ALA A 45 -18.401 -11.830 24.975 1.00 0.00 O ATOM 713 CB ALA A 45 -20.059 -10.902 27.547 1.00 0.00 C ATOM 0 H ALA A 45 -18.309 -9.579 28.661 1.00 0.00 H new ATOM 0 HA ALA A 45 -18.300 -12.144 27.525 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -20.650 -11.588 26.940 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -20.258 -11.087 28.603 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -20.329 -9.875 27.301 1.00 0.00 H new ATOM 719 N ALA A 46 -17.933 -9.674 25.421 1.00 0.00 N ATOM 720 CA ALA A 46 -17.641 -9.344 24.036 1.00 0.00 C ATOM 721 C ALA A 46 -16.429 -10.130 23.548 1.00 0.00 C ATOM 722 O ALA A 46 -16.415 -10.632 22.423 1.00 0.00 O ATOM 723 CB ALA A 46 -17.372 -7.843 23.903 1.00 0.00 C ATOM 0 H ALA A 46 -17.836 -8.895 26.072 1.00 0.00 H new ATOM 0 HA ALA A 46 -18.503 -9.611 23.425 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -17.154 -7.603 22.862 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -18.251 -7.286 24.227 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -16.519 -7.570 24.525 1.00 0.00 H new ATOM 729 N SER A 47 -15.416 -10.230 24.403 1.00 0.00 N ATOM 730 CA SER A 47 -14.204 -10.954 24.050 1.00 0.00 C ATOM 731 C SER A 47 -14.498 -12.437 23.847 1.00 0.00 C ATOM 732 O SER A 47 -14.013 -13.053 22.898 1.00 0.00 O ATOM 733 CB SER A 47 -13.151 -10.784 25.142 1.00 0.00 C ATOM 734 OG SER A 47 -11.867 -11.100 24.615 1.00 0.00 O ATOM 0 H SER A 47 -15.411 -9.822 25.338 1.00 0.00 H new ATOM 0 HA SER A 47 -13.823 -10.542 23.115 1.00 0.00 H new ATOM 0 HB2 SER A 47 -13.161 -9.760 25.516 1.00 0.00 H new ATOM 0 HB3 SER A 47 -13.379 -11.434 25.987 1.00 0.00 H new ATOM 0 HG SER A 47 -11.190 -10.990 25.315 1.00 0.00 H new ATOM 740 N PHE A 48 -15.296 -12.997 24.747 1.00 0.00 N ATOM 741 CA PHE A 48 -15.656 -14.407 24.673 1.00 0.00 C ATOM 742 C PHE A 48 -16.413 -14.694 23.387 1.00 0.00 C ATOM 743 O PHE A 48 -16.225 -15.737 22.772 1.00 0.00 O ATOM 744 CB PHE A 48 -16.516 -14.798 25.875 1.00 0.00 C ATOM 745 CG PHE A 48 -16.775 -16.286 25.845 1.00 0.00 C ATOM 746 CD1 PHE A 48 -15.754 -17.184 26.186 1.00 0.00 C ATOM 747 CD2 PHE A 48 -18.036 -16.772 25.479 1.00 0.00 C ATOM 748 CE1 PHE A 48 -15.993 -18.563 26.158 1.00 0.00 C ATOM 749 CE2 PHE A 48 -18.277 -18.150 25.452 1.00 0.00 C ATOM 750 CZ PHE A 48 -17.256 -19.046 25.791 1.00 0.00 C ATOM 0 H PHE A 48 -15.706 -12.497 25.536 1.00 0.00 H new ATOM 0 HA PHE A 48 -14.739 -14.996 24.683 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -16.011 -14.524 26.801 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -17.460 -14.253 25.853 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -14.781 -16.811 26.471 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -18.824 -16.082 25.217 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -15.205 -19.254 26.419 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -19.251 -18.522 25.170 1.00 0.00 H new ATOM 0 HZ PHE A 48 -17.442 -20.110 25.770 1.00 0.00 H new ATOM 760 N GLU A 49 -17.284 -13.766 22.993 1.00 0.00 N ATOM 761 CA GLU A 49 -18.076 -13.947 21.784 1.00 0.00 C ATOM 762 C GLU A 49 -17.177 -14.002 20.553 1.00 0.00 C ATOM 763 O GLU A 49 -17.252 -14.938 19.760 1.00 0.00 O ATOM 764 CB GLU A 49 -19.064 -12.787 21.634 1.00 0.00 C ATOM 765 CG GLU A 49 -19.977 -13.041 20.433 1.00 0.00 C ATOM 766 CD GLU A 49 -20.959 -11.889 20.273 1.00 0.00 C ATOM 767 OE1 GLU A 49 -20.523 -10.752 20.338 1.00 0.00 O ATOM 768 OE2 GLU A 49 -22.134 -12.160 20.085 1.00 0.00 O ATOM 0 H GLU A 49 -17.456 -12.891 23.489 1.00 0.00 H new ATOM 0 HA GLU A 49 -18.619 -14.888 21.867 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -19.660 -12.684 22.541 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -18.523 -11.850 21.500 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -19.379 -13.149 19.528 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -20.520 -13.976 20.570 1.00 0.00 H new ATOM 775 N LEU A 50 -16.327 -12.997 20.402 1.00 0.00 N ATOM 776 CA LEU A 50 -15.416 -12.943 19.269 1.00 0.00 C ATOM 777 C LEU A 50 -14.352 -14.029 19.371 1.00 0.00 C ATOM 778 O LEU A 50 -13.717 -14.384 18.383 1.00 0.00 O ATOM 779 CB LEU A 50 -14.748 -11.563 19.189 1.00 0.00 C ATOM 780 CG LEU A 50 -15.642 -10.600 18.406 1.00 0.00 C ATOM 781 CD1 LEU A 50 -17.019 -10.528 19.062 1.00 0.00 C ATOM 782 CD2 LEU A 50 -15.005 -9.210 18.395 1.00 0.00 C ATOM 0 H LEU A 50 -16.249 -12.211 21.047 1.00 0.00 H new ATOM 0 HA LEU A 50 -15.996 -13.113 18.362 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -14.571 -11.175 20.192 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -13.776 -11.647 18.704 1.00 0.00 H new ATOM 0 HG LEU A 50 -15.751 -10.958 17.382 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -17.653 -9.841 18.502 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -17.472 -11.519 19.066 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -16.916 -10.172 20.087 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -15.641 -8.523 17.837 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -14.894 -8.852 19.419 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -14.025 -9.263 17.921 1.00 0.00 H new ATOM 794 N ASN A 51 -14.132 -14.517 20.586 1.00 0.00 N ATOM 795 CA ASN A 51 -13.101 -15.522 20.809 1.00 0.00 C ATOM 796 C ASN A 51 -13.234 -16.677 19.826 1.00 0.00 C ATOM 797 O ASN A 51 -12.302 -16.991 19.092 1.00 0.00 O ATOM 798 CB ASN A 51 -13.208 -16.067 22.239 1.00 0.00 C ATOM 799 CG ASN A 51 -12.027 -16.973 22.545 1.00 0.00 C ATOM 800 OD1 ASN A 51 -11.556 -17.697 21.668 1.00 0.00 O ATOM 801 ND2 ASN A 51 -11.516 -16.978 23.746 1.00 0.00 N ATOM 0 H ASN A 51 -14.646 -14.238 21.421 1.00 0.00 H new ATOM 0 HA ASN A 51 -12.132 -15.047 20.659 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -13.236 -15.241 22.950 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -14.140 -16.620 22.356 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.724 -17.583 23.961 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.909 -16.377 24.470 1.00 0.00 H new ATOM 808 N LYS A 52 -14.397 -17.309 19.822 1.00 0.00 N ATOM 809 CA LYS A 52 -14.634 -18.440 18.929 1.00 0.00 C ATOM 810 C LYS A 52 -14.635 -17.995 17.473 1.00 0.00 C ATOM 811 O LYS A 52 -14.128 -18.696 16.599 1.00 0.00 O ATOM 812 CB LYS A 52 -15.974 -19.103 19.266 1.00 0.00 C ATOM 813 CG LYS A 52 -17.032 -18.014 19.548 1.00 0.00 C ATOM 814 CD LYS A 52 -17.157 -17.780 21.059 1.00 0.00 C ATOM 815 CE LYS A 52 -18.080 -18.831 21.670 1.00 0.00 C ATOM 816 NZ LYS A 52 -19.492 -18.487 21.349 1.00 0.00 N ATOM 0 H LYS A 52 -15.187 -17.064 20.419 1.00 0.00 H new ATOM 0 HA LYS A 52 -13.827 -19.158 19.071 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -16.298 -19.734 18.438 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -15.863 -19.751 20.136 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -16.751 -17.086 19.050 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -17.995 -18.317 19.138 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -16.174 -17.830 21.527 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -17.550 -16.782 21.250 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -17.836 -19.819 21.279 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -17.940 -18.872 22.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -20.128 -18.984 22.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -19.630 -17.461 21.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -19.706 -18.775 20.373 1.00 0.00 H new ATOM 830 N LYS A 53 -15.237 -16.834 17.215 1.00 0.00 N ATOM 831 CA LYS A 53 -15.322 -16.325 15.852 1.00 0.00 C ATOM 832 C LYS A 53 -13.931 -16.068 15.292 1.00 0.00 C ATOM 833 O LYS A 53 -13.622 -16.460 14.170 1.00 0.00 O ATOM 834 CB LYS A 53 -16.128 -15.024 15.835 1.00 0.00 C ATOM 835 CG LYS A 53 -17.574 -15.307 16.240 1.00 0.00 C ATOM 836 CD LYS A 53 -18.381 -14.007 16.191 1.00 0.00 C ATOM 837 CE LYS A 53 -19.827 -14.291 16.593 1.00 0.00 C ATOM 838 NZ LYS A 53 -20.615 -13.026 16.553 1.00 0.00 N ATOM 0 H LYS A 53 -15.666 -16.238 17.922 1.00 0.00 H new ATOM 0 HA LYS A 53 -15.819 -17.071 15.232 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -15.684 -14.301 16.519 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -16.099 -14.580 14.840 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -18.013 -16.046 15.569 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -17.606 -15.730 17.244 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -17.943 -13.269 16.863 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -18.348 -13.583 15.187 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -20.265 -15.026 15.918 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -19.859 -14.720 17.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -21.599 -13.221 16.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -20.201 -12.338 17.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -20.595 -12.635 15.590 1.00 0.00 H new ATOM 852 N ILE A 54 -13.089 -15.411 16.087 1.00 0.00 N ATOM 853 CA ILE A 54 -11.732 -15.117 15.655 1.00 0.00 C ATOM 854 C ILE A 54 -10.924 -16.399 15.519 1.00 0.00 C ATOM 855 O ILE A 54 -10.225 -16.595 14.530 1.00 0.00 O ATOM 856 CB ILE A 54 -11.051 -14.183 16.665 1.00 0.00 C ATOM 857 CG1 ILE A 54 -11.708 -12.801 16.605 1.00 0.00 C ATOM 858 CG2 ILE A 54 -9.554 -14.060 16.340 1.00 0.00 C ATOM 859 CD1 ILE A 54 -11.227 -11.955 17.787 1.00 0.00 C ATOM 0 H ILE A 54 -13.322 -15.077 17.022 1.00 0.00 H new ATOM 0 HA ILE A 54 -11.779 -14.627 14.683 1.00 0.00 H new ATOM 0 HB ILE A 54 -11.163 -14.596 17.668 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -11.458 -12.308 15.666 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -12.793 -12.901 16.633 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -9.078 -13.396 17.061 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.088 -15.044 16.391 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.432 -13.653 15.336 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.695 -10.971 17.744 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -11.500 -12.446 18.721 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -10.144 -11.844 17.738 1.00 0.00 H new ATOM 871 N ASN A 55 -11.024 -17.267 16.518 1.00 0.00 N ATOM 872 CA ASN A 55 -10.292 -18.529 16.496 1.00 0.00 C ATOM 873 C ASN A 55 -10.759 -19.405 15.341 1.00 0.00 C ATOM 874 O ASN A 55 -9.955 -20.055 14.673 1.00 0.00 O ATOM 875 CB ASN A 55 -10.490 -19.270 17.819 1.00 0.00 C ATOM 876 CG ASN A 55 -9.780 -20.618 17.773 1.00 0.00 C ATOM 877 OD1 ASN A 55 -10.331 -21.594 17.261 1.00 0.00 O ATOM 878 ND2 ASN A 55 -8.585 -20.734 18.281 1.00 0.00 N ATOM 0 H ASN A 55 -11.600 -17.123 17.348 1.00 0.00 H new ATOM 0 HA ASN A 55 -9.233 -18.309 16.358 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -10.099 -18.672 18.642 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -11.554 -19.416 18.008 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -8.105 -21.634 18.255 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.130 -19.925 18.704 1.00 0.00 H new ATOM 885 N ASP A 56 -12.069 -19.423 15.120 1.00 0.00 N ATOM 886 CA ASP A 56 -12.643 -20.231 14.052 1.00 0.00 C ATOM 887 C ASP A 56 -12.154 -19.741 12.694 1.00 0.00 C ATOM 888 O ASP A 56 -11.980 -20.526 11.766 1.00 0.00 O ATOM 889 CB ASP A 56 -14.171 -20.164 14.107 1.00 0.00 C ATOM 890 CG ASP A 56 -14.687 -20.961 15.302 1.00 0.00 C ATOM 891 OD1 ASP A 56 -13.929 -21.758 15.832 1.00 0.00 O ATOM 892 OD2 ASP A 56 -15.832 -20.762 15.671 1.00 0.00 O ATOM 0 H ASP A 56 -12.749 -18.891 15.663 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.324 -21.264 14.189 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -14.495 -19.126 14.185 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.594 -20.562 13.184 1.00 0.00 H new ATOM 897 N TYR A 57 -11.951 -18.435 12.579 1.00 0.00 N ATOM 898 CA TYR A 57 -11.500 -17.861 11.318 1.00 0.00 C ATOM 899 C TYR A 57 -10.169 -18.475 10.894 1.00 0.00 C ATOM 900 O TYR A 57 -10.008 -18.899 9.749 1.00 0.00 O ATOM 901 CB TYR A 57 -11.349 -16.326 11.476 1.00 0.00 C ATOM 902 CG TYR A 57 -12.253 -15.618 10.495 1.00 0.00 C ATOM 903 CD1 TYR A 57 -11.911 -15.583 9.139 1.00 0.00 C ATOM 904 CD2 TYR A 57 -13.423 -15.000 10.941 1.00 0.00 C ATOM 905 CE1 TYR A 57 -12.749 -14.937 8.225 1.00 0.00 C ATOM 906 CE2 TYR A 57 -14.262 -14.354 10.029 1.00 0.00 C ATOM 907 CZ TYR A 57 -13.920 -14.314 8.671 1.00 0.00 C ATOM 908 OH TYR A 57 -14.747 -13.677 7.772 1.00 0.00 O ATOM 0 H TYR A 57 -12.089 -17.761 13.332 1.00 0.00 H new ATOM 0 HA TYR A 57 -12.239 -18.078 10.546 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -11.600 -16.030 12.495 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -10.313 -16.034 11.305 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -11.001 -16.054 8.799 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -13.679 -15.021 11.990 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -12.493 -14.919 7.176 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -15.173 -13.886 10.371 1.00 0.00 H new ATOM 0 HH TYR A 57 -15.516 -13.299 8.247 1.00 0.00 H new ATOM 918 N ILE A 58 -9.224 -18.516 11.821 1.00 0.00 N ATOM 919 CA ILE A 58 -7.915 -19.082 11.533 1.00 0.00 C ATOM 920 C ILE A 58 -8.030 -20.569 11.247 1.00 0.00 C ATOM 921 O ILE A 58 -7.408 -21.080 10.318 1.00 0.00 O ATOM 922 CB ILE A 58 -6.965 -18.843 12.714 1.00 0.00 C ATOM 923 CG1 ILE A 58 -6.604 -17.344 12.798 1.00 0.00 C ATOM 924 CG2 ILE A 58 -5.688 -19.669 12.530 1.00 0.00 C ATOM 925 CD1 ILE A 58 -7.719 -16.576 13.510 1.00 0.00 C ATOM 0 H ILE A 58 -9.337 -18.167 12.773 1.00 0.00 H new ATOM 0 HA ILE A 58 -7.511 -18.589 10.649 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.460 -19.147 13.636 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.664 -17.218 13.335 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.456 -16.941 11.796 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -5.018 -19.495 13.372 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -5.943 -20.728 12.482 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.193 -19.373 11.605 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.456 -15.520 13.565 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -8.651 -16.690 12.955 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -7.846 -16.971 14.518 1.00 0.00 H new ATOM 937 N ALA A 59 -8.818 -21.258 12.062 1.00 0.00 N ATOM 938 CA ALA A 59 -8.993 -22.693 11.895 1.00 0.00 C ATOM 939 C ALA A 59 -9.629 -23.005 10.549 1.00 0.00 C ATOM 940 O ALA A 59 -9.226 -23.944 9.862 1.00 0.00 O ATOM 941 CB ALA A 59 -9.877 -23.242 13.018 1.00 0.00 C ATOM 0 H ALA A 59 -9.341 -20.851 12.837 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.012 -23.166 11.936 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -10.005 -24.317 12.888 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.405 -23.046 13.981 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -10.851 -22.754 12.986 1.00 0.00 H new ATOM 947 N GLU A 60 -10.623 -22.207 10.174 1.00 0.00 N ATOM 948 CA GLU A 60 -11.309 -22.401 8.905 1.00 0.00 C ATOM 949 C GLU A 60 -10.435 -21.952 7.741 1.00 0.00 C ATOM 950 O GLU A 60 -10.431 -22.572 6.680 1.00 0.00 O ATOM 951 CB GLU A 60 -12.623 -21.617 8.891 1.00 0.00 C ATOM 952 CG GLU A 60 -13.610 -22.259 9.866 1.00 0.00 C ATOM 953 CD GLU A 60 -14.889 -21.432 9.929 1.00 0.00 C ATOM 954 OE1 GLU A 60 -14.970 -20.444 9.218 1.00 0.00 O ATOM 955 OE2 GLU A 60 -15.772 -21.800 10.687 1.00 0.00 O ATOM 0 H GLU A 60 -10.969 -21.424 10.729 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.520 -23.465 8.794 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.442 -20.579 9.170 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -13.043 -21.608 7.885 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.839 -23.276 9.548 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -13.162 -22.328 10.857 1.00 0.00 H new ATOM 962 N HIS A 61 -9.703 -20.858 7.943 1.00 0.00 N ATOM 963 CA HIS A 61 -8.831 -20.317 6.900 1.00 0.00 C ATOM 964 C HIS A 61 -7.465 -19.955 7.473 1.00 0.00 C ATOM 965 O HIS A 61 -7.098 -18.783 7.538 1.00 0.00 O ATOM 966 CB HIS A 61 -9.473 -19.079 6.279 1.00 0.00 C ATOM 967 CG HIS A 61 -10.857 -19.423 5.799 1.00 0.00 C ATOM 968 ND1 HIS A 61 -11.108 -20.523 4.992 1.00 0.00 N ATOM 969 CD2 HIS A 61 -12.074 -18.821 5.999 1.00 0.00 C ATOM 970 CE1 HIS A 61 -12.431 -20.547 4.740 1.00 0.00 C ATOM 971 NE2 HIS A 61 -13.065 -19.531 5.330 1.00 0.00 N ATOM 0 H HIS A 61 -9.696 -20.330 8.816 1.00 0.00 H new ATOM 0 HA HIS A 61 -8.695 -21.080 6.133 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -9.520 -18.273 7.012 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -8.867 -18.719 5.448 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -12.237 -17.930 6.587 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -12.919 -21.296 4.135 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -14.063 -19.321 5.297 1.00 0.00 H new ATOM 979 N PRO A 62 -6.713 -20.941 7.892 1.00 0.00 N ATOM 980 CA PRO A 62 -5.354 -20.728 8.471 1.00 0.00 C ATOM 981 C PRO A 62 -4.332 -20.342 7.405 1.00 0.00 C ATOM 982 O PRO A 62 -3.301 -19.743 7.710 1.00 0.00 O ATOM 983 CB PRO A 62 -5.011 -22.083 9.113 1.00 0.00 C ATOM 984 CG PRO A 62 -5.822 -23.092 8.355 1.00 0.00 C ATOM 985 CD PRO A 62 -7.076 -22.368 7.856 1.00 0.00 C ATOM 0 HA PRO A 62 -5.335 -19.905 9.185 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -3.945 -22.297 9.037 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.263 -22.092 10.174 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -5.251 -23.497 7.519 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.090 -23.932 8.995 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.343 -22.685 6.848 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -7.935 -22.576 8.494 1.00 0.00 H new ATOM 993 N THR A 63 -4.622 -20.700 6.161 1.00 0.00 N ATOM 994 CA THR A 63 -3.716 -20.397 5.061 1.00 0.00 C ATOM 995 C THR A 63 -3.697 -18.898 4.784 1.00 0.00 C ATOM 996 O THR A 63 -2.729 -18.370 4.237 1.00 0.00 O ATOM 997 CB THR A 63 -4.154 -21.147 3.800 1.00 0.00 C ATOM 998 OG1 THR A 63 -4.087 -22.546 4.036 1.00 0.00 O ATOM 999 CG2 THR A 63 -3.230 -20.778 2.638 1.00 0.00 C ATOM 0 H THR A 63 -5.471 -21.197 5.890 1.00 0.00 H new ATOM 0 HA THR A 63 -2.712 -20.717 5.341 1.00 0.00 H new ATOM 0 HB THR A 63 -5.178 -20.870 3.549 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.369 -23.028 3.230 1.00 0.00 H new ATOM 0 HG21 THR A 63 -3.543 -21.312 1.741 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.283 -19.704 2.458 1.00 0.00 H new ATOM 0 HG23 THR A 63 -2.205 -21.054 2.886 1.00 0.00 H new ATOM 1007 N SER A 64 -4.774 -18.219 5.164 1.00 0.00 N ATOM 1008 CA SER A 64 -4.872 -16.781 4.949 1.00 0.00 C ATOM 1009 C SER A 64 -4.052 -16.025 5.991 1.00 0.00 C ATOM 1010 O SER A 64 -4.438 -15.944 7.157 1.00 0.00 O ATOM 1011 CB SER A 64 -6.336 -16.340 5.028 1.00 0.00 C ATOM 1012 OG SER A 64 -7.152 -17.313 4.390 1.00 0.00 O ATOM 0 H SER A 64 -5.585 -18.638 5.619 1.00 0.00 H new ATOM 0 HA SER A 64 -4.477 -16.553 3.959 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.637 -16.222 6.069 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.463 -15.370 4.547 1.00 0.00 H new ATOM 0 HG SER A 64 -8.064 -16.965 4.297 1.00 0.00 H new ATOM 1018 N GLY A 65 -2.926 -15.471 5.561 1.00 0.00 N ATOM 1019 CA GLY A 65 -2.059 -14.719 6.464 1.00 0.00 C ATOM 1020 C GLY A 65 -2.766 -13.471 6.977 1.00 0.00 C ATOM 1021 O GLY A 65 -2.555 -13.047 8.112 1.00 0.00 O ATOM 0 H GLY A 65 -2.591 -15.526 4.599 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.768 -15.349 7.304 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.143 -14.436 5.945 1.00 0.00 H new ATOM 1025 N ARG A 66 -3.603 -12.884 6.133 1.00 0.00 N ATOM 1026 CA ARG A 66 -4.333 -11.681 6.511 1.00 0.00 C ATOM 1027 C ARG A 66 -5.209 -11.946 7.731 1.00 0.00 C ATOM 1028 O ARG A 66 -5.396 -11.071 8.575 1.00 0.00 O ATOM 1029 CB ARG A 66 -5.208 -11.211 5.345 1.00 0.00 C ATOM 1030 CG ARG A 66 -5.725 -9.786 5.625 1.00 0.00 C ATOM 1031 CD ARG A 66 -4.736 -8.760 5.064 1.00 0.00 C ATOM 1032 NE ARG A 66 -4.713 -8.833 3.608 1.00 0.00 N ATOM 1033 CZ ARG A 66 -3.808 -8.165 2.902 1.00 0.00 C ATOM 1034 NH1 ARG A 66 -2.918 -7.431 3.513 1.00 0.00 N ATOM 1035 NH2 ARG A 66 -3.807 -8.242 1.599 1.00 0.00 N ATOM 0 H ARG A 66 -3.793 -13.218 5.188 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.610 -10.904 6.759 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.634 -11.224 4.418 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.048 -11.893 5.210 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.705 -9.648 5.169 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.849 -9.638 6.698 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.021 -7.757 5.381 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -3.739 -8.949 5.461 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.403 -9.407 3.124 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.918 -7.371 4.531 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.222 -6.917 2.972 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.502 -8.816 1.121 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.111 -7.728 1.058 1.00 0.00 H new ATOM 1049 N ASN A 67 -5.750 -13.156 7.810 1.00 0.00 N ATOM 1050 CA ASN A 67 -6.613 -13.527 8.926 1.00 0.00 C ATOM 1051 C ASN A 67 -5.850 -13.435 10.243 1.00 0.00 C ATOM 1052 O ASN A 67 -6.397 -13.008 11.258 1.00 0.00 O ATOM 1053 CB ASN A 67 -7.133 -14.951 8.734 1.00 0.00 C ATOM 1054 CG ASN A 67 -8.068 -15.321 9.879 1.00 0.00 C ATOM 1055 OD1 ASN A 67 -8.348 -16.499 10.096 1.00 0.00 O ATOM 1056 ND2 ASN A 67 -8.573 -14.382 10.629 1.00 0.00 N ATOM 0 H ASN A 67 -5.608 -13.893 7.120 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.455 -12.836 8.956 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.660 -15.030 7.783 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.298 -15.650 8.695 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -9.200 -14.624 11.396 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -8.341 -13.405 10.449 1.00 0.00 H new ATOM 1063 N GLN A 68 -4.585 -13.837 10.221 1.00 0.00 N ATOM 1064 CA GLN A 68 -3.754 -13.795 11.421 1.00 0.00 C ATOM 1065 C GLN A 68 -3.922 -12.458 12.141 1.00 0.00 C ATOM 1066 O GLN A 68 -3.626 -12.341 13.330 1.00 0.00 O ATOM 1067 CB GLN A 68 -2.286 -13.990 11.045 1.00 0.00 C ATOM 1068 CG GLN A 68 -2.110 -15.349 10.361 1.00 0.00 C ATOM 1069 CD GLN A 68 -2.400 -16.473 11.349 1.00 0.00 C ATOM 1070 OE1 GLN A 68 -1.852 -16.488 12.451 1.00 0.00 O ATOM 1071 NE2 GLN A 68 -3.233 -17.421 11.020 1.00 0.00 N ATOM 0 H GLN A 68 -4.113 -14.194 9.391 1.00 0.00 H new ATOM 0 HA GLN A 68 -4.069 -14.598 12.088 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -1.961 -13.191 10.379 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -1.661 -13.936 11.936 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -2.781 -15.424 9.505 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -1.094 -15.444 9.978 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -3.686 -17.407 10.106 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -3.431 -18.176 11.676 1.00 0.00 H new ATOM 1080 N ALA A 69 -4.398 -11.454 11.411 1.00 0.00 N ATOM 1081 CA ALA A 69 -4.604 -10.130 11.989 1.00 0.00 C ATOM 1082 C ALA A 69 -5.763 -10.155 12.978 1.00 0.00 C ATOM 1083 O ALA A 69 -5.763 -9.435 13.967 1.00 0.00 O ATOM 1084 CB ALA A 69 -4.891 -9.114 10.882 1.00 0.00 C ATOM 0 H ALA A 69 -4.647 -11.530 10.425 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.697 -9.838 12.518 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.043 -8.129 11.323 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.046 -9.077 10.194 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.788 -9.411 10.339 1.00 0.00 H new ATOM 1090 N LEU A 70 -6.751 -10.986 12.702 1.00 0.00 N ATOM 1091 CA LEU A 70 -7.912 -11.096 13.577 1.00 0.00 C ATOM 1092 C LEU A 70 -7.505 -11.635 14.940 1.00 0.00 C ATOM 1093 O LEU A 70 -8.067 -11.246 15.960 1.00 0.00 O ATOM 1094 CB LEU A 70 -8.961 -12.017 12.938 1.00 0.00 C ATOM 1095 CG LEU A 70 -9.746 -11.243 11.869 1.00 0.00 C ATOM 1096 CD1 LEU A 70 -10.646 -10.179 12.531 1.00 0.00 C ATOM 1097 CD2 LEU A 70 -8.759 -10.564 10.906 1.00 0.00 C ATOM 0 H LEU A 70 -6.777 -11.594 11.883 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.342 -10.104 13.713 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -8.474 -12.883 12.490 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -9.642 -12.394 13.701 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.378 -11.938 11.316 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.196 -9.638 11.761 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -11.350 -10.666 13.206 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -10.028 -9.480 13.095 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.313 -10.014 10.146 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -8.124 -9.875 11.462 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.139 -11.322 10.426 1.00 0.00 H new ATOM 1109 N THR A 71 -6.538 -12.538 14.944 1.00 0.00 N ATOM 1110 CA THR A 71 -6.067 -13.129 16.188 1.00 0.00 C ATOM 1111 C THR A 71 -5.494 -12.060 17.111 1.00 0.00 C ATOM 1112 O THR A 71 -5.519 -12.202 18.333 1.00 0.00 O ATOM 1113 CB THR A 71 -4.994 -14.181 15.896 1.00 0.00 C ATOM 1114 OG1 THR A 71 -5.468 -15.081 14.908 1.00 0.00 O ATOM 1115 CG2 THR A 71 -4.666 -14.947 17.175 1.00 0.00 C ATOM 0 H THR A 71 -6.066 -12.877 14.106 1.00 0.00 H new ATOM 0 HA THR A 71 -6.915 -13.602 16.683 1.00 0.00 H new ATOM 0 HB THR A 71 -4.093 -13.688 15.531 1.00 0.00 H new ATOM 0 HG1 THR A 71 -4.780 -15.753 14.720 1.00 0.00 H new ATOM 0 HG21 THR A 71 -3.902 -15.695 16.965 1.00 0.00 H new ATOM 0 HG22 THR A 71 -4.296 -14.253 17.930 1.00 0.00 H new ATOM 0 HG23 THR A 71 -5.565 -15.440 17.544 1.00 0.00 H new ATOM 1123 N GLN A 72 -4.974 -10.990 16.517 1.00 0.00 N ATOM 1124 CA GLN A 72 -4.386 -9.907 17.296 1.00 0.00 C ATOM 1125 C GLN A 72 -5.435 -9.262 18.195 1.00 0.00 C ATOM 1126 O GLN A 72 -5.123 -8.782 19.282 1.00 0.00 O ATOM 1127 CB GLN A 72 -3.798 -8.850 16.362 1.00 0.00 C ATOM 1128 CG GLN A 72 -2.603 -9.437 15.611 1.00 0.00 C ATOM 1129 CD GLN A 72 -1.998 -8.387 14.685 1.00 0.00 C ATOM 1130 OE1 GLN A 72 -2.704 -7.922 13.691 1.00 0.00 O flip ATOM 1131 NE2 GLN A 72 -0.854 -7.974 14.876 1.00 0.00 N flip ATOM 0 H GLN A 72 -4.948 -10.851 15.507 1.00 0.00 H new ATOM 0 HA GLN A 72 -3.594 -10.324 17.919 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -4.556 -8.514 15.654 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -3.487 -7.976 16.935 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -1.852 -9.783 16.321 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -2.918 -10.305 15.032 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -0.303 -8.338 15.653 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -0.457 -7.267 14.257 1.00 0.00 H new ATOM 1140 N LEU A 73 -6.680 -9.255 17.738 1.00 0.00 N ATOM 1141 CA LEU A 73 -7.764 -8.664 18.515 1.00 0.00 C ATOM 1142 C LEU A 73 -7.929 -9.380 19.845 1.00 0.00 C ATOM 1143 O LEU A 73 -8.144 -8.744 20.878 1.00 0.00 O ATOM 1144 CB LEU A 73 -9.073 -8.744 17.722 1.00 0.00 C ATOM 1145 CG LEU A 73 -9.044 -7.727 16.572 1.00 0.00 C ATOM 1146 CD1 LEU A 73 -10.129 -8.081 15.550 1.00 0.00 C ATOM 1147 CD2 LEU A 73 -9.299 -6.308 17.117 1.00 0.00 C ATOM 0 H LEU A 73 -6.964 -9.648 16.841 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.517 -7.621 18.711 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.209 -9.751 17.327 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.920 -8.542 18.378 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.065 -7.757 16.094 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.109 -7.359 14.733 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.945 -9.080 15.156 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -11.106 -8.055 16.033 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.277 -5.593 16.295 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.275 -6.274 17.601 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -8.526 -6.052 17.841 1.00 0.00 H new ATOM 1159 N LYS A 74 -7.832 -10.700 19.816 1.00 0.00 N ATOM 1160 CA LYS A 74 -7.975 -11.488 21.032 1.00 0.00 C ATOM 1161 C LYS A 74 -6.923 -11.076 22.058 1.00 0.00 C ATOM 1162 O LYS A 74 -7.223 -10.927 23.240 1.00 0.00 O ATOM 1163 CB LYS A 74 -7.817 -12.973 20.709 1.00 0.00 C ATOM 1164 CG LYS A 74 -8.144 -13.808 21.953 1.00 0.00 C ATOM 1165 CD LYS A 74 -7.791 -15.275 21.696 1.00 0.00 C ATOM 1166 CE LYS A 74 -8.764 -15.879 20.680 1.00 0.00 C ATOM 1167 NZ LYS A 74 -8.681 -17.362 20.737 1.00 0.00 N ATOM 0 H LYS A 74 -7.656 -11.245 18.972 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.966 -11.309 21.448 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.479 -13.249 19.889 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.798 -13.177 20.379 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.585 -13.434 22.811 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.202 -13.716 22.197 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.770 -15.352 21.323 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.833 -15.836 22.629 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.781 -15.552 20.896 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.523 -15.529 19.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.458 -17.734 19.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -7.934 -17.643 21.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.593 -17.749 21.055 1.00 0.00 H new ATOM 1181 N GLU A 75 -5.690 -10.897 21.597 1.00 0.00 N ATOM 1182 CA GLU A 75 -4.601 -10.507 22.488 1.00 0.00 C ATOM 1183 C GLU A 75 -4.825 -9.098 23.023 1.00 0.00 C ATOM 1184 O GLU A 75 -4.610 -8.832 24.206 1.00 0.00 O ATOM 1185 CB GLU A 75 -3.272 -10.569 21.739 1.00 0.00 C ATOM 1186 CG GLU A 75 -2.932 -12.021 21.399 1.00 0.00 C ATOM 1187 CD GLU A 75 -2.609 -12.799 22.671 1.00 0.00 C ATOM 1188 OE1 GLU A 75 -2.493 -12.172 23.712 1.00 0.00 O ATOM 1189 OE2 GLU A 75 -2.485 -14.009 22.588 1.00 0.00 O ATOM 0 H GLU A 75 -5.420 -11.014 20.620 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.576 -11.199 23.329 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.332 -9.977 20.826 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.480 -10.134 22.349 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.771 -12.487 20.882 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -2.081 -12.053 20.719 1.00 0.00 H new ATOM 1196 N GLN A 76 -5.254 -8.197 22.144 1.00 0.00 N ATOM 1197 CA GLN A 76 -5.498 -6.816 22.544 1.00 0.00 C ATOM 1198 C GLN A 76 -6.626 -6.745 23.567 1.00 0.00 C ATOM 1199 O GLN A 76 -6.454 -6.198 24.656 1.00 0.00 O ATOM 1200 CB GLN A 76 -5.867 -5.980 21.315 1.00 0.00 C ATOM 1201 CG GLN A 76 -4.650 -5.845 20.397 1.00 0.00 C ATOM 1202 CD GLN A 76 -3.579 -4.995 21.072 1.00 0.00 C ATOM 1203 OE1 GLN A 76 -3.869 -3.902 21.555 1.00 0.00 O ATOM 1204 NE2 GLN A 76 -2.353 -5.437 21.137 1.00 0.00 N ATOM 0 H GLN A 76 -5.438 -8.395 21.161 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.589 -6.420 22.997 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.690 -6.451 20.777 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.212 -4.993 21.625 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -4.249 -6.831 20.163 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -4.946 -5.389 19.452 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -2.116 -6.344 20.735 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -1.632 -4.875 21.590 1.00 0.00 H new ATOM 1213 N VAL A 77 -7.777 -7.306 23.213 1.00 0.00 N ATOM 1214 CA VAL A 77 -8.922 -7.306 24.114 1.00 0.00 C ATOM 1215 C VAL A 77 -8.590 -8.063 25.398 1.00 0.00 C ATOM 1216 O VAL A 77 -8.880 -7.594 26.499 1.00 0.00 O ATOM 1217 CB VAL A 77 -10.126 -7.957 23.429 1.00 0.00 C ATOM 1218 CG1 VAL A 77 -11.286 -8.060 24.420 1.00 0.00 C ATOM 1219 CG2 VAL A 77 -10.552 -7.104 22.232 1.00 0.00 C ATOM 0 H VAL A 77 -7.941 -7.763 22.316 1.00 0.00 H new ATOM 0 HA VAL A 77 -9.165 -6.274 24.366 1.00 0.00 H new ATOM 0 HB VAL A 77 -9.853 -8.955 23.087 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -12.143 -8.524 23.931 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -10.983 -8.667 25.273 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -11.561 -7.063 24.764 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -11.409 -7.566 21.743 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -10.824 -6.106 22.575 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -9.726 -7.032 21.524 1.00 0.00 H new ATOM 1229 N THR A 78 -7.982 -9.235 25.247 1.00 0.00 N ATOM 1230 CA THR A 78 -7.618 -10.049 26.401 1.00 0.00 C ATOM 1231 C THR A 78 -6.636 -9.299 27.295 1.00 0.00 C ATOM 1232 O THR A 78 -6.801 -9.252 28.513 1.00 0.00 O ATOM 1233 CB THR A 78 -6.986 -11.363 25.937 1.00 0.00 C ATOM 1234 OG1 THR A 78 -7.942 -12.110 25.196 1.00 0.00 O ATOM 1235 CG2 THR A 78 -6.531 -12.174 27.152 1.00 0.00 C ATOM 0 H THR A 78 -7.733 -9.640 24.345 1.00 0.00 H new ATOM 0 HA THR A 78 -8.522 -10.263 26.970 1.00 0.00 H new ATOM 0 HB THR A 78 -6.123 -11.148 25.306 1.00 0.00 H new ATOM 0 HG1 THR A 78 -7.942 -11.808 24.264 1.00 0.00 H new ATOM 0 HG21 THR A 78 -6.081 -13.109 26.818 1.00 0.00 H new ATOM 0 HG22 THR A 78 -5.797 -11.601 27.718 1.00 0.00 H new ATOM 0 HG23 THR A 78 -7.390 -12.391 27.787 1.00 0.00 H new ATOM 1243 N SER A 79 -5.615 -8.712 26.683 1.00 0.00 N ATOM 1244 CA SER A 79 -4.612 -7.966 27.433 1.00 0.00 C ATOM 1245 C SER A 79 -5.243 -6.759 28.117 1.00 0.00 C ATOM 1246 O SER A 79 -4.883 -6.410 29.242 1.00 0.00 O ATOM 1247 CB SER A 79 -3.497 -7.503 26.498 1.00 0.00 C ATOM 1248 OG SER A 79 -2.729 -8.627 26.089 1.00 0.00 O ATOM 0 H SER A 79 -5.460 -8.737 25.675 1.00 0.00 H new ATOM 0 HA SER A 79 -4.194 -8.622 28.196 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.921 -7.002 25.628 1.00 0.00 H new ATOM 0 HB3 SER A 79 -2.860 -6.778 27.004 1.00 0.00 H new ATOM 0 HG SER A 79 -3.150 -9.044 25.308 1.00 0.00 H new ATOM 1254 N ALA A 80 -6.186 -6.122 27.428 1.00 0.00 N ATOM 1255 CA ALA A 80 -6.859 -4.954 27.979 1.00 0.00 C ATOM 1256 C ALA A 80 -7.521 -5.294 29.309 1.00 0.00 C ATOM 1257 O ALA A 80 -7.409 -4.542 30.279 1.00 0.00 O ATOM 1258 CB ALA A 80 -7.915 -4.447 26.995 1.00 0.00 C ATOM 0 H ALA A 80 -6.498 -6.393 26.496 1.00 0.00 H new ATOM 0 HA ALA A 80 -6.115 -4.175 28.146 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.414 -3.573 27.415 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.435 -4.174 26.055 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.649 -5.232 26.813 1.00 0.00 H new ATOM 1264 N LEU A 81 -8.214 -6.425 29.348 1.00 0.00 N ATOM 1265 CA LEU A 81 -8.894 -6.850 30.569 1.00 0.00 C ATOM 1266 C LEU A 81 -7.882 -7.192 31.652 1.00 0.00 C ATOM 1267 O LEU A 81 -8.136 -6.980 32.836 1.00 0.00 O ATOM 1268 CB LEU A 81 -9.759 -8.071 30.272 1.00 0.00 C ATOM 1269 CG LEU A 81 -10.825 -7.703 29.234 1.00 0.00 C ATOM 1270 CD1 LEU A 81 -11.526 -8.980 28.752 1.00 0.00 C ATOM 1271 CD2 LEU A 81 -11.863 -6.751 29.852 1.00 0.00 C ATOM 0 H LEU A 81 -8.321 -7.061 28.557 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.522 -6.033 30.924 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.139 -8.887 29.899 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.234 -8.424 31.187 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.345 -7.204 28.392 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -12.285 -8.722 28.013 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.793 -9.649 28.301 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -11.998 -9.478 29.599 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -12.615 -6.497 29.104 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.345 -7.238 30.700 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -11.367 -5.842 30.190 1.00 0.00 H new ATOM 1283 N GLY A 82 -6.729 -7.707 31.239 1.00 0.00 N ATOM 1284 CA GLY A 82 -5.685 -8.054 32.193 1.00 0.00 C ATOM 1285 C GLY A 82 -5.923 -9.425 32.811 1.00 0.00 C ATOM 1286 O GLY A 82 -5.979 -9.564 34.032 1.00 0.00 O ATOM 0 H GLY A 82 -6.496 -7.891 30.263 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -4.716 -8.043 31.693 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.646 -7.301 32.980 1.00 0.00 H new ATOM 1290 N LEU A 83 -6.058 -10.437 31.966 1.00 0.00 N ATOM 1291 CA LEU A 83 -6.284 -11.792 32.453 1.00 0.00 C ATOM 1292 C LEU A 83 -5.093 -12.280 33.253 1.00 0.00 C ATOM 1293 O LEU A 83 -5.266 -12.929 34.282 1.00 0.00 O ATOM 1294 CB LEU A 83 -6.535 -12.737 31.264 1.00 0.00 C ATOM 1295 CG LEU A 83 -8.016 -12.682 30.862 1.00 0.00 C ATOM 1296 CD1 LEU A 83 -8.889 -13.330 31.962 1.00 0.00 C ATOM 1297 CD2 LEU A 83 -8.436 -11.219 30.658 1.00 0.00 C ATOM 0 H LEU A 83 -6.016 -10.349 30.951 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.159 -11.785 33.104 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -5.908 -12.449 30.420 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -6.259 -13.757 31.533 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.156 -13.233 29.932 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.938 -13.286 31.667 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.593 -14.371 32.096 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.753 -12.791 32.899 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -9.487 -11.179 30.373 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.290 -10.666 31.586 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -7.829 -10.773 29.870 1.00 0.00 H new ATOM 1309 N GLU A 84 -3.896 -11.970 32.777 1.00 0.00 N ATOM 1310 CA GLU A 84 -2.674 -12.386 33.461 1.00 0.00 C ATOM 1311 C GLU A 84 -1.868 -11.168 33.889 1.00 0.00 C ATOM 1312 O GLU A 84 -1.014 -10.684 33.147 1.00 0.00 O ATOM 1313 CB GLU A 84 -1.832 -13.260 32.530 1.00 0.00 C ATOM 1314 CG GLU A 84 -2.600 -14.543 32.196 1.00 0.00 C ATOM 1315 CD GLU A 84 -2.791 -15.383 33.454 1.00 0.00 C ATOM 1316 OE1 GLU A 84 -2.043 -15.179 34.397 1.00 0.00 O ATOM 1317 OE2 GLU A 84 -3.681 -16.217 33.459 1.00 0.00 O ATOM 0 H GLU A 84 -3.742 -11.434 31.923 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.946 -12.959 34.348 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.599 -12.715 31.615 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.882 -13.506 33.005 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -3.570 -14.294 31.765 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.056 -15.117 31.446 1.00 0.00 H new ATOM 1324 N HIS A 85 -2.146 -10.676 35.092 1.00 0.00 N ATOM 1325 CA HIS A 85 -1.438 -9.514 35.612 1.00 0.00 C ATOM 1326 C HIS A 85 0.058 -9.794 35.698 1.00 0.00 C ATOM 1327 O HIS A 85 0.878 -8.958 35.325 1.00 0.00 O ATOM 1328 CB HIS A 85 -1.970 -9.156 37.003 1.00 0.00 C ATOM 1329 CG HIS A 85 -3.343 -8.555 36.876 1.00 0.00 C ATOM 1330 ND1 HIS A 85 -4.473 -9.330 36.671 1.00 0.00 N ATOM 1331 CD2 HIS A 85 -3.781 -7.255 36.920 1.00 0.00 C ATOM 1332 CE1 HIS A 85 -5.528 -8.498 36.599 1.00 0.00 C ATOM 1333 NE2 HIS A 85 -5.162 -7.221 36.745 1.00 0.00 N ATOM 0 H HIS A 85 -2.851 -11.061 35.720 1.00 0.00 H new ATOM 0 HA HIS A 85 -1.604 -8.678 34.933 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -2.008 -10.047 37.630 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -1.297 -8.451 37.491 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -3.151 -6.390 37.068 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -6.546 -8.823 36.442 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -5.765 -6.398 36.731 1.00 0.00 H new ATOM 1341 N HIS A 86 0.407 -10.979 36.192 1.00 0.00 N ATOM 1342 CA HIS A 86 1.810 -11.365 36.322 1.00 0.00 C ATOM 1343 C HIS A 86 2.282 -12.087 35.068 1.00 0.00 C ATOM 1344 O HIS A 86 1.484 -12.411 34.189 1.00 0.00 O ATOM 1345 CB HIS A 86 1.991 -12.275 37.537 1.00 0.00 C ATOM 1346 CG HIS A 86 1.772 -11.480 38.794 1.00 0.00 C ATOM 1347 ND1 HIS A 86 0.509 -11.268 39.324 1.00 0.00 N ATOM 1348 CD2 HIS A 86 2.645 -10.840 39.637 1.00 0.00 C ATOM 1349 CE1 HIS A 86 0.656 -10.528 40.439 1.00 0.00 C ATOM 1350 NE2 HIS A 86 1.938 -10.239 40.676 1.00 0.00 N ATOM 0 H HIS A 86 -0.258 -11.685 36.507 1.00 0.00 H new ATOM 0 HA HIS A 86 2.406 -10.462 36.454 1.00 0.00 H new ATOM 0 HB2 HIS A 86 1.286 -13.105 37.491 1.00 0.00 H new ATOM 0 HB3 HIS A 86 2.992 -12.706 37.536 1.00 0.00 H new ATOM 0 HD2 HIS A 86 3.717 -10.807 39.514 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -0.163 -10.207 41.065 1.00 0.00 H new ATOM 0 HE2 HIS A 86 2.318 -9.695 41.451 1.00 0.00 H new ATOM 1358 N HIS A 87 3.584 -12.338 34.989 1.00 0.00 N ATOM 1359 CA HIS A 87 4.157 -13.026 33.833 1.00 0.00 C ATOM 1360 C HIS A 87 5.343 -13.879 34.258 1.00 0.00 C ATOM 1361 O HIS A 87 5.954 -13.636 35.297 1.00 0.00 O ATOM 1362 CB HIS A 87 4.608 -12.003 32.790 1.00 0.00 C ATOM 1363 CG HIS A 87 5.568 -11.031 33.420 1.00 0.00 C ATOM 1364 ND1 HIS A 87 5.148 -9.838 33.986 1.00 0.00 N ATOM 1365 CD2 HIS A 87 6.932 -11.062 33.582 1.00 0.00 C ATOM 1366 CE1 HIS A 87 6.238 -9.204 34.456 1.00 0.00 C ATOM 1367 NE2 HIS A 87 7.352 -9.907 34.235 1.00 0.00 N ATOM 0 H HIS A 87 4.261 -12.078 35.706 1.00 0.00 H new ATOM 0 HA HIS A 87 3.394 -13.673 33.400 1.00 0.00 H new ATOM 0 HB2 HIS A 87 5.086 -12.510 31.951 1.00 0.00 H new ATOM 0 HB3 HIS A 87 3.745 -11.470 32.391 1.00 0.00 H new ATOM 0 HD2 HIS A 87 7.580 -11.861 33.253 1.00 0.00 H new ATOM 0 HE1 HIS A 87 6.215 -8.244 34.951 1.00 0.00 H new ATOM 0 HE2 HIS A 87 8.306 -9.652 34.490 1.00 0.00 H new ATOM 1375 N HIS A 88 5.665 -14.883 33.447 1.00 0.00 N ATOM 1376 CA HIS A 88 6.784 -15.778 33.746 1.00 0.00 C ATOM 1377 C HIS A 88 7.987 -15.432 32.876 1.00 0.00 C ATOM 1378 O HIS A 88 7.937 -15.552 31.651 1.00 0.00 O ATOM 1379 CB HIS A 88 6.370 -17.228 33.497 1.00 0.00 C ATOM 1380 CG HIS A 88 6.014 -17.409 32.047 1.00 0.00 C ATOM 1381 ND1 HIS A 88 4.743 -17.150 31.560 1.00 0.00 N ATOM 1382 CD2 HIS A 88 6.752 -17.824 30.966 1.00 0.00 C ATOM 1383 CE1 HIS A 88 4.754 -17.408 30.239 1.00 0.00 C ATOM 1384 NE2 HIS A 88 5.955 -17.823 29.827 1.00 0.00 N ATOM 0 H HIS A 88 5.171 -15.098 32.581 1.00 0.00 H new ATOM 0 HA HIS A 88 7.059 -15.655 34.794 1.00 0.00 H new ATOM 0 HB2 HIS A 88 7.183 -17.901 33.769 1.00 0.00 H new ATOM 0 HB3 HIS A 88 5.518 -17.487 34.126 1.00 0.00 H new ATOM 0 HD2 HIS A 88 7.794 -18.108 30.996 1.00 0.00 H new ATOM 0 HE1 HIS A 88 3.897 -17.294 29.592 1.00 0.00 H new ATOM 0 HE2 HIS A 88 6.229 -18.083 28.880 1.00 0.00 H new ATOM 1392 N HIS A 89 9.070 -15.005 33.517 1.00 0.00 N ATOM 1393 CA HIS A 89 10.283 -14.648 32.792 1.00 0.00 C ATOM 1394 C HIS A 89 11.463 -14.530 33.750 1.00 0.00 C ATOM 1395 O HIS A 89 11.392 -13.818 34.753 1.00 0.00 O ATOM 1396 CB HIS A 89 10.081 -13.320 32.060 1.00 0.00 C ATOM 1397 CG HIS A 89 11.319 -12.990 31.272 1.00 0.00 C ATOM 1398 ND1 HIS A 89 12.381 -12.288 31.821 1.00 0.00 N ATOM 1399 CD2 HIS A 89 11.678 -13.257 29.974 1.00 0.00 C ATOM 1400 CE1 HIS A 89 13.320 -12.158 30.866 1.00 0.00 C ATOM 1401 NE2 HIS A 89 12.942 -12.732 29.721 1.00 0.00 N ATOM 0 H HIS A 89 9.132 -14.898 34.529 1.00 0.00 H new ATOM 0 HA HIS A 89 10.496 -15.433 32.067 1.00 0.00 H new ATOM 0 HB2 HIS A 89 9.220 -13.386 31.395 1.00 0.00 H new ATOM 0 HB3 HIS A 89 9.870 -12.526 32.776 1.00 0.00 H new ATOM 0 HD2 HIS A 89 11.072 -13.793 29.258 1.00 0.00 H new ATOM 0 HE1 HIS A 89 14.263 -11.652 31.008 1.00 0.00 H new ATOM 0 HE2 HIS A 89 13.467 -12.776 28.848 1.00 0.00 H new ATOM 1409 N HIS A 90 12.548 -15.231 33.437 1.00 0.00 N ATOM 1410 CA HIS A 90 13.738 -15.196 34.278 1.00 0.00 C ATOM 1411 C HIS A 90 14.489 -13.881 34.091 1.00 0.00 C ATOM 1412 O HIS A 90 15.044 -13.396 35.062 1.00 0.00 O ATOM 1413 CB HIS A 90 14.660 -16.366 33.928 1.00 0.00 C ATOM 1414 CG HIS A 90 15.864 -16.343 34.829 1.00 0.00 C ATOM 1415 ND1 HIS A 90 15.788 -16.671 36.174 1.00 0.00 N ATOM 1416 CD2 HIS A 90 17.181 -16.032 34.593 1.00 0.00 C ATOM 1417 CE1 HIS A 90 17.025 -16.552 36.691 1.00 0.00 C ATOM 1418 NE2 HIS A 90 17.911 -16.165 35.771 1.00 0.00 N ATOM 1419 OXT HIS A 90 14.495 -13.379 32.979 1.00 0.00 O ATOM 0 H HIS A 90 12.628 -15.826 32.613 1.00 0.00 H new ATOM 0 HA HIS A 90 13.426 -15.278 35.319 1.00 0.00 H new ATOM 0 HB2 HIS A 90 14.126 -17.310 34.041 1.00 0.00 H new ATOM 0 HB3 HIS A 90 14.971 -16.298 32.886 1.00 0.00 H new ATOM 0 HD2 HIS A 90 17.588 -15.730 33.639 1.00 0.00 H new ATOM 0 HE1 HIS A 90 17.271 -16.746 37.725 1.00 0.00 H new ATOM 0 HE2 HIS A 90 18.909 -16.002 35.903 1.00 0.00 H new TER 1427 HIS A 90