USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 678 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 93 HIS : no HD1:sc= -0.136 X(o=-0.14,f=-0.086) USER MOD Set 1.2: A 94 HIS : no HD1:sc= 0 X(o=-0.14,f=-0.41) USER MOD Set 2.1: A 33 ASN : amide:sc= -0.0944 K(o=-2.3,f=-4.3!) USER MOD Set 2.2: A 54 ASN : amide:sc= -2.24! C(o=-2.3!,f=-9.2!) USER MOD Set 3.1: A 43 ASN : amide:sc= -4.33! K(o=-6.3!,f=1.4) USER MOD Set 3.2: A 48 SER OG : rot 29:sc= -1.99! USER MOD Set 4.1: A 24 TYR OH : rot 130:sc= -0.343 USER MOD Set 4.2: A 28 ASN : amide:sc= -3.21! C(o=-3.6!,f=-4.5!) USER MOD Set 5.1: A 20 LYS NZ :NH3+ -154:sc= 1.33 (180deg=-0.208) USER MOD Set 5.2: A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.0322 K(o=-0.032,f=-2!) USER MOD Single : A 17 GLN : amide:sc= -6.64! C(o=-6.6!,f=-15!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 78:sc= 0.356 USER MOD Single : A 26 LYS NZ :NH3+ -132:sc= -3.8! (180deg=-7.87!) USER MOD Single : A 27 HIS : no HD1:sc= -0.851 X(o=-0.85,f=-0.96) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.31 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -41:sc= 0.998 USER MOD Single : A 39 ASN : amide:sc= -1.44! C(o=-1.4!,f=-6.5!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -1.44! K(o=-1.4!,f=-0.043) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -0.0766 K(o=-0.077,f=-2.2!) USER MOD Single : A 60 SER OG : rot 73:sc= 1.04 USER MOD Single : A 62 THR OG1 : rot -8:sc= 1.09 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 170:sc= -0.283 USER MOD Single : A 73 SER OG : rot -167:sc= 0.326 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl 135:sc= -0.219 (180deg=-1.5!) USER MOD Single : A 81 GLN : amide:sc= -2! K(o=-2!,f=-0.21) USER MOD Single : A 85 LYS NZ :NH3+ -117:sc= -1.22 (180deg=-1.44) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 HIS : no HD1:sc= -0.0079 X(o=-0.0079,f=-0.095) USER MOD Single : A 98 HIS : no HD1:sc= -1.31 K(o=-1.3,f=-0.7) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 12 -7.658 12.113 -14.297 1.00 0.00 N ATOM 2 CA ALA A 12 -7.130 10.800 -13.834 1.00 0.00 C ATOM 3 C ALA A 12 -7.423 10.624 -12.341 1.00 0.00 C ATOM 4 O ALA A 12 -6.578 10.850 -11.498 1.00 0.00 O ATOM 5 CB ALA A 12 -5.621 10.759 -14.080 1.00 0.00 C ATOM 0 HA ALA A 12 -7.612 9.991 -14.384 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.224 9.801 -13.744 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -5.422 10.881 -15.145 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.140 11.565 -13.526 1.00 0.00 H new ATOM 11 N PHE A 13 -8.620 10.219 -12.017 1.00 0.00 N ATOM 12 CA PHE A 13 -8.993 10.016 -10.589 1.00 0.00 C ATOM 13 C PHE A 13 -8.165 8.870 -10.002 1.00 0.00 C ATOM 14 O PHE A 13 -8.131 8.662 -8.806 1.00 0.00 O ATOM 15 CB PHE A 13 -10.482 9.677 -10.516 1.00 0.00 C ATOM 16 CG PHE A 13 -10.805 8.611 -11.539 1.00 0.00 C ATOM 17 CD1 PHE A 13 -10.675 7.257 -11.209 1.00 0.00 C ATOM 18 CD2 PHE A 13 -11.235 8.978 -12.823 1.00 0.00 C ATOM 19 CE1 PHE A 13 -10.976 6.271 -12.159 1.00 0.00 C ATOM 20 CE2 PHE A 13 -11.535 7.992 -13.771 1.00 0.00 C ATOM 21 CZ PHE A 13 -11.406 6.639 -13.438 1.00 0.00 C ATOM 0 H PHE A 13 -9.362 10.018 -12.687 1.00 0.00 H new ATOM 0 HA PHE A 13 -8.795 10.922 -10.016 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -10.738 9.327 -9.516 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -11.079 10.569 -10.703 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -10.343 6.972 -10.222 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -11.335 10.022 -13.081 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -10.876 5.227 -11.903 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -11.866 8.276 -14.759 1.00 0.00 H new ATOM 0 HZ PHE A 13 -11.639 5.879 -14.169 1.00 0.00 H new ATOM 31 N PHE A 14 -7.495 8.127 -10.837 1.00 0.00 N ATOM 32 CA PHE A 14 -6.660 7.000 -10.335 1.00 0.00 C ATOM 33 C PHE A 14 -5.517 7.561 -9.484 1.00 0.00 C ATOM 34 O PHE A 14 -5.126 6.987 -8.488 1.00 0.00 O ATOM 35 CB PHE A 14 -6.078 6.232 -11.522 1.00 0.00 C ATOM 36 CG PHE A 14 -7.180 5.500 -12.250 1.00 0.00 C ATOM 37 CD1 PHE A 14 -7.609 4.250 -11.789 1.00 0.00 C ATOM 38 CD2 PHE A 14 -7.770 6.068 -13.385 1.00 0.00 C ATOM 39 CE1 PHE A 14 -8.628 3.567 -12.463 1.00 0.00 C ATOM 40 CE2 PHE A 14 -8.789 5.385 -14.061 1.00 0.00 C ATOM 41 CZ PHE A 14 -9.218 4.134 -13.600 1.00 0.00 C ATOM 0 H PHE A 14 -7.489 8.252 -11.849 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.272 6.329 -9.732 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -5.576 6.921 -12.202 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -5.326 5.523 -11.175 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.154 3.812 -10.913 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.439 7.033 -13.740 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -8.959 2.603 -12.106 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -9.244 5.823 -14.937 1.00 0.00 H new ATOM 0 HZ PHE A 14 -10.003 3.607 -14.121 1.00 0.00 H new ATOM 51 N ASN A 15 -4.975 8.677 -9.881 1.00 0.00 N ATOM 52 CA ASN A 15 -3.852 9.287 -9.114 1.00 0.00 C ATOM 53 C ASN A 15 -4.337 9.662 -7.710 1.00 0.00 C ATOM 54 O ASN A 15 -3.641 9.483 -6.730 1.00 0.00 O ATOM 55 CB ASN A 15 -3.384 10.549 -9.841 1.00 0.00 C ATOM 56 CG ASN A 15 -2.572 10.162 -11.081 1.00 0.00 C ATOM 57 OD1 ASN A 15 -2.104 9.048 -11.192 1.00 0.00 O ATOM 58 ND2 ASN A 15 -2.388 11.046 -12.023 1.00 0.00 N ATOM 0 H ASN A 15 -5.263 9.197 -10.710 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.030 8.576 -9.035 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.244 11.152 -10.132 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -2.777 11.160 -9.173 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -1.850 10.801 -12.854 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -2.782 11.982 -11.928 1.00 0.00 H new ATOM 65 N GLU A 16 -5.523 10.192 -7.611 1.00 0.00 N ATOM 66 CA GLU A 16 -6.064 10.592 -6.280 1.00 0.00 C ATOM 67 C GLU A 16 -6.272 9.346 -5.415 1.00 0.00 C ATOM 68 O GLU A 16 -6.013 9.348 -4.228 1.00 0.00 O ATOM 69 CB GLU A 16 -7.408 11.290 -6.482 1.00 0.00 C ATOM 70 CG GLU A 16 -7.214 12.574 -7.293 1.00 0.00 C ATOM 71 CD GLU A 16 -6.377 13.570 -6.489 1.00 0.00 C ATOM 72 OE1 GLU A 16 -6.301 13.411 -5.282 1.00 0.00 O ATOM 73 OE2 GLU A 16 -5.827 14.475 -7.095 1.00 0.00 O ATOM 0 H GLU A 16 -6.146 10.367 -8.399 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.362 11.264 -5.786 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.099 10.624 -6.999 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.854 11.524 -5.516 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.719 12.348 -8.238 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.182 13.011 -7.537 1.00 0.00 H new ATOM 80 N GLN A 17 -6.752 8.285 -6.002 1.00 0.00 N ATOM 81 CA GLN A 17 -6.992 7.038 -5.219 1.00 0.00 C ATOM 82 C GLN A 17 -5.654 6.484 -4.718 1.00 0.00 C ATOM 83 O GLN A 17 -5.535 6.034 -3.594 1.00 0.00 O ATOM 84 CB GLN A 17 -7.677 6.003 -6.130 1.00 0.00 C ATOM 85 CG GLN A 17 -8.529 5.044 -5.295 1.00 0.00 C ATOM 86 CD GLN A 17 -7.675 4.443 -4.178 1.00 0.00 C ATOM 87 OE1 GLN A 17 -6.588 3.961 -4.420 1.00 0.00 O ATOM 88 NE2 GLN A 17 -8.129 4.450 -2.955 1.00 0.00 N ATOM 0 H GLN A 17 -6.989 8.227 -6.992 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.631 7.253 -4.362 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.302 6.511 -6.864 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -6.925 5.443 -6.686 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.381 5.574 -4.870 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.929 4.252 -5.928 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.043 4.855 -2.753 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -7.570 4.050 -2.201 1.00 0.00 H new ATOM 97 N LYS A 18 -4.651 6.511 -5.547 1.00 0.00 N ATOM 98 CA LYS A 18 -3.321 5.988 -5.131 1.00 0.00 C ATOM 99 C LYS A 18 -2.778 6.840 -3.981 1.00 0.00 C ATOM 100 O LYS A 18 -2.201 6.333 -3.040 1.00 0.00 O ATOM 101 CB LYS A 18 -2.359 6.050 -6.320 1.00 0.00 C ATOM 102 CG LYS A 18 -2.765 5.009 -7.369 1.00 0.00 C ATOM 103 CD LYS A 18 -1.814 5.087 -8.567 1.00 0.00 C ATOM 104 CE LYS A 18 -2.201 4.023 -9.597 1.00 0.00 C ATOM 105 NZ LYS A 18 -1.282 4.104 -10.769 1.00 0.00 N ATOM 0 H LYS A 18 -4.694 6.874 -6.499 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.419 4.955 -4.799 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.373 7.047 -6.759 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.339 5.863 -5.985 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.737 4.010 -6.934 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.790 5.186 -7.694 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.861 6.078 -9.018 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.786 4.934 -8.239 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.148 3.031 -9.148 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.232 4.172 -9.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.546 3.381 -11.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.354 5.047 -11.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.304 3.941 -10.455 1.00 0.00 H new ATOM 119 N GLU A 19 -2.950 8.130 -4.055 1.00 0.00 N ATOM 120 CA GLU A 19 -2.436 9.016 -2.970 1.00 0.00 C ATOM 121 C GLU A 19 -3.114 8.653 -1.645 1.00 0.00 C ATOM 122 O GLU A 19 -2.478 8.584 -0.613 1.00 0.00 O ATOM 123 CB GLU A 19 -2.756 10.471 -3.317 1.00 0.00 C ATOM 124 CG GLU A 19 -2.150 11.394 -2.257 1.00 0.00 C ATOM 125 CD GLU A 19 -2.408 12.855 -2.635 1.00 0.00 C ATOM 126 OE1 GLU A 19 -3.200 13.083 -3.534 1.00 0.00 O ATOM 127 OE2 GLU A 19 -1.810 13.719 -2.018 1.00 0.00 O ATOM 0 H GLU A 19 -3.424 8.611 -4.819 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.358 8.886 -2.874 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.356 10.718 -4.301 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.835 10.615 -3.366 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.586 11.178 -1.281 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.078 11.214 -2.174 1.00 0.00 H new ATOM 134 N LYS A 20 -4.400 8.430 -1.666 1.00 0.00 N ATOM 135 CA LYS A 20 -5.121 8.080 -0.405 1.00 0.00 C ATOM 136 C LYS A 20 -4.600 6.746 0.140 1.00 0.00 C ATOM 137 O LYS A 20 -4.386 6.588 1.325 1.00 0.00 O ATOM 138 CB LYS A 20 -6.617 7.960 -0.701 1.00 0.00 C ATOM 139 CG LYS A 20 -7.182 9.337 -1.061 1.00 0.00 C ATOM 140 CD LYS A 20 -8.675 9.212 -1.375 1.00 0.00 C ATOM 141 CE LYS A 20 -9.216 10.570 -1.830 1.00 0.00 C ATOM 142 NZ LYS A 20 -9.152 11.536 -0.698 1.00 0.00 N ATOM 0 H LYS A 20 -4.984 8.475 -2.501 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.952 8.859 0.338 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.781 7.263 -1.523 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.139 7.557 0.167 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.031 10.031 -0.234 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.652 9.745 -1.921 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.833 8.466 -2.154 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.216 8.870 -0.493 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.633 10.942 -2.672 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.245 10.466 -2.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.876 12.271 -0.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.324 11.034 0.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.211 11.978 -0.672 1.00 0.00 H new ATOM 156 N VAL A 21 -4.397 5.785 -0.715 1.00 0.00 N ATOM 157 CA VAL A 21 -3.893 4.459 -0.251 1.00 0.00 C ATOM 158 C VAL A 21 -2.476 4.619 0.303 1.00 0.00 C ATOM 159 O VAL A 21 -2.125 4.055 1.321 1.00 0.00 O ATOM 160 CB VAL A 21 -3.878 3.482 -1.427 1.00 0.00 C ATOM 161 CG1 VAL A 21 -3.245 2.158 -0.992 1.00 0.00 C ATOM 162 CG2 VAL A 21 -5.314 3.236 -1.899 1.00 0.00 C ATOM 0 H VAL A 21 -4.558 5.859 -1.719 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.546 4.073 0.532 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.293 3.906 -2.243 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.237 1.465 -1.833 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.223 2.336 -0.658 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.824 1.729 -0.174 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.307 2.540 -2.738 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.898 2.814 -1.082 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.760 4.179 -2.214 1.00 0.00 H new ATOM 172 N THR A 22 -1.657 5.372 -0.371 1.00 0.00 N ATOM 173 CA THR A 22 -0.257 5.571 0.097 1.00 0.00 C ATOM 174 C THR A 22 -0.264 6.220 1.482 1.00 0.00 C ATOM 175 O THR A 22 0.474 5.832 2.366 1.00 0.00 O ATOM 176 CB THR A 22 0.466 6.490 -0.892 1.00 0.00 C ATOM 177 OG1 THR A 22 0.529 5.859 -2.164 1.00 0.00 O ATOM 178 CG2 THR A 22 1.882 6.783 -0.398 1.00 0.00 C ATOM 0 H THR A 22 -1.897 5.862 -1.232 1.00 0.00 H new ATOM 0 HA THR A 22 0.253 4.609 0.156 1.00 0.00 H new ATOM 0 HB THR A 22 -0.083 7.428 -0.974 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.337 5.943 -2.614 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.387 7.437 -1.109 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.834 7.272 0.575 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.436 5.849 -0.307 1.00 0.00 H new ATOM 186 N LEU A 23 -1.082 7.213 1.674 1.00 0.00 N ATOM 187 CA LEU A 23 -1.133 7.898 2.997 1.00 0.00 C ATOM 188 C LEU A 23 -1.612 6.905 4.062 1.00 0.00 C ATOM 189 O LEU A 23 -1.106 6.866 5.166 1.00 0.00 O ATOM 190 CB LEU A 23 -2.123 9.064 2.909 1.00 0.00 C ATOM 191 CG LEU A 23 -2.060 9.926 4.185 1.00 0.00 C ATOM 192 CD1 LEU A 23 -0.875 10.898 4.118 1.00 0.00 C ATOM 193 CD2 LEU A 23 -3.360 10.728 4.329 1.00 0.00 C ATOM 0 H LEU A 23 -1.721 7.583 0.970 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.144 8.269 3.265 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.894 9.677 2.038 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.134 8.680 2.772 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.932 9.267 5.044 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.845 11.499 5.027 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.053 10.334 4.025 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.990 11.552 3.254 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.314 11.337 5.232 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.486 11.375 3.461 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.205 10.043 4.397 1.00 0.00 H new ATOM 205 N TYR A 24 -2.597 6.118 3.735 1.00 0.00 N ATOM 206 CA TYR A 24 -3.140 5.132 4.714 1.00 0.00 C ATOM 207 C TYR A 24 -2.046 4.141 5.131 1.00 0.00 C ATOM 208 O TYR A 24 -1.908 3.807 6.291 1.00 0.00 O ATOM 209 CB TYR A 24 -4.301 4.373 4.057 1.00 0.00 C ATOM 210 CG TYR A 24 -4.738 3.229 4.944 1.00 0.00 C ATOM 211 CD1 TYR A 24 -5.596 3.463 6.023 1.00 0.00 C ATOM 212 CD2 TYR A 24 -4.266 1.936 4.690 1.00 0.00 C ATOM 213 CE1 TYR A 24 -5.984 2.401 6.850 1.00 0.00 C ATOM 214 CE2 TYR A 24 -4.656 0.875 5.514 1.00 0.00 C ATOM 215 CZ TYR A 24 -5.514 1.108 6.595 1.00 0.00 C ATOM 216 OH TYR A 24 -5.894 0.063 7.411 1.00 0.00 O ATOM 0 H TYR A 24 -3.055 6.114 2.823 1.00 0.00 H new ATOM 0 HA TYR A 24 -3.491 5.657 5.603 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -5.138 5.050 3.884 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.993 3.992 3.083 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -5.959 4.461 6.219 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -3.601 1.758 3.858 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -6.646 2.580 7.684 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.295 -0.124 5.316 1.00 0.00 H new ATOM 0 HH TYR A 24 -6.219 -0.680 6.861 1.00 0.00 H new ATOM 226 N LEU A 25 -1.293 3.646 4.194 1.00 0.00 N ATOM 227 CA LEU A 25 -0.233 2.653 4.536 1.00 0.00 C ATOM 228 C LEU A 25 0.822 3.293 5.444 1.00 0.00 C ATOM 229 O LEU A 25 1.283 2.691 6.388 1.00 0.00 O ATOM 230 CB LEU A 25 0.428 2.166 3.245 1.00 0.00 C ATOM 231 CG LEU A 25 -0.573 1.336 2.424 1.00 0.00 C ATOM 232 CD1 LEU A 25 0.005 1.088 1.026 1.00 0.00 C ATOM 233 CD2 LEU A 25 -0.858 -0.017 3.113 1.00 0.00 C ATOM 0 H LEU A 25 -1.363 3.884 3.205 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.684 1.813 5.064 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.773 3.018 2.659 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.306 1.564 3.480 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.509 1.889 2.349 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.701 0.500 0.440 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.181 2.043 0.531 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.946 0.545 1.112 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.569 -0.587 2.515 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.071 -0.580 3.208 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.277 0.160 4.103 1.00 0.00 H new ATOM 245 N LYS A 26 1.212 4.502 5.168 1.00 0.00 N ATOM 246 CA LYS A 26 2.248 5.159 6.020 1.00 0.00 C ATOM 247 C LYS A 26 1.751 5.287 7.464 1.00 0.00 C ATOM 248 O LYS A 26 2.495 5.089 8.404 1.00 0.00 O ATOM 249 CB LYS A 26 2.558 6.549 5.463 1.00 0.00 C ATOM 250 CG LYS A 26 3.355 6.424 4.161 1.00 0.00 C ATOM 251 CD LYS A 26 3.692 7.821 3.635 1.00 0.00 C ATOM 252 CE LYS A 26 4.649 7.706 2.444 1.00 0.00 C ATOM 253 NZ LYS A 26 3.974 6.997 1.324 1.00 0.00 N ATOM 0 H LYS A 26 0.863 5.066 4.393 1.00 0.00 H new ATOM 0 HA LYS A 26 3.150 4.547 6.012 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.631 7.092 5.281 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.127 7.124 6.194 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.270 5.858 4.335 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.776 5.874 3.419 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.780 8.336 3.333 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.149 8.417 4.425 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.964 8.698 2.121 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.549 7.166 2.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.602 6.254 0.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.092 6.566 1.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.756 7.674 0.566 1.00 0.00 H new ATOM 267 N HIS A 27 0.509 5.628 7.653 1.00 0.00 N ATOM 268 CA HIS A 27 -0.020 5.778 9.042 1.00 0.00 C ATOM 269 C HIS A 27 -0.049 4.420 9.745 1.00 0.00 C ATOM 270 O HIS A 27 0.229 4.314 10.922 1.00 0.00 O ATOM 271 CB HIS A 27 -1.434 6.347 8.979 1.00 0.00 C ATOM 272 CG HIS A 27 -1.372 7.785 8.549 1.00 0.00 C ATOM 273 ND1 HIS A 27 -0.569 8.713 9.191 1.00 0.00 N ATOM 274 CD2 HIS A 27 -2.011 8.468 7.548 1.00 0.00 C ATOM 275 CE1 HIS A 27 -0.743 9.895 8.573 1.00 0.00 C ATOM 276 NE2 HIS A 27 -1.612 9.801 7.562 1.00 0.00 N ATOM 0 H HIS A 27 -0.165 5.810 6.909 1.00 0.00 H new ATOM 0 HA HIS A 27 0.628 6.452 9.602 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -2.039 5.772 8.278 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -1.914 6.268 9.954 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -2.717 8.037 6.854 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -0.242 10.808 8.859 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -1.917 10.546 6.936 1.00 0.00 H new ATOM 284 N ASN A 28 -0.400 3.381 9.040 1.00 0.00 N ATOM 285 CA ASN A 28 -0.456 2.030 9.673 1.00 0.00 C ATOM 286 C ASN A 28 0.884 1.323 9.477 1.00 0.00 C ATOM 287 O ASN A 28 1.128 0.262 10.025 1.00 0.00 O ATOM 288 CB ASN A 28 -1.564 1.219 9.004 1.00 0.00 C ATOM 289 CG ASN A 28 -2.928 1.745 9.456 1.00 0.00 C ATOM 290 OD1 ASN A 28 -3.022 2.461 10.432 1.00 0.00 O ATOM 291 ND2 ASN A 28 -3.997 1.416 8.785 1.00 0.00 N ATOM 0 H ASN A 28 -0.651 3.407 8.052 1.00 0.00 H new ATOM 0 HA ASN A 28 -0.660 2.126 10.739 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.477 1.290 7.920 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -1.465 0.165 9.264 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.911 1.760 9.080 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.919 0.815 7.965 1.00 0.00 H new ATOM 298 N ILE A 29 1.759 1.911 8.702 1.00 0.00 N ATOM 299 CA ILE A 29 3.096 1.292 8.456 1.00 0.00 C ATOM 300 C ILE A 29 4.164 2.391 8.398 1.00 0.00 C ATOM 301 O ILE A 29 4.567 2.819 7.336 1.00 0.00 O ATOM 302 CB ILE A 29 3.071 0.541 7.120 1.00 0.00 C ATOM 303 CG1 ILE A 29 1.789 -0.292 7.030 1.00 0.00 C ATOM 304 CG2 ILE A 29 4.287 -0.381 7.030 1.00 0.00 C ATOM 305 CD1 ILE A 29 1.789 -1.097 5.728 1.00 0.00 C ATOM 0 H ILE A 29 1.603 2.800 8.226 1.00 0.00 H new ATOM 0 HA ILE A 29 3.329 0.597 9.263 1.00 0.00 H new ATOM 0 HB ILE A 29 3.099 1.257 6.299 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.720 -0.965 7.885 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.916 0.360 7.066 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.269 -0.915 6.080 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.199 0.212 7.096 1.00 0.00 H new ATOM 0 HG23 ILE A 29 4.261 -1.099 7.850 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.876 -1.689 5.666 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.838 -0.415 4.879 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.653 -1.761 5.711 1.00 0.00 H new ATOM 317 N PRO A 30 4.630 2.838 9.536 1.00 0.00 N ATOM 318 CA PRO A 30 5.683 3.894 9.618 1.00 0.00 C ATOM 319 C PRO A 30 6.950 3.468 8.871 1.00 0.00 C ATOM 320 O PRO A 30 7.708 4.284 8.385 1.00 0.00 O ATOM 321 CB PRO A 30 5.953 4.030 11.130 1.00 0.00 C ATOM 322 CG PRO A 30 4.726 3.491 11.792 1.00 0.00 C ATOM 323 CD PRO A 30 4.207 2.390 10.870 1.00 0.00 C ATOM 0 HA PRO A 30 5.372 4.833 9.160 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.839 3.468 11.425 1.00 0.00 H new ATOM 0 HB3 PRO A 30 6.127 5.069 11.408 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.957 3.096 12.781 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.979 4.273 11.927 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.634 1.419 11.122 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.124 2.288 10.935 1.00 0.00 H new ATOM 331 N ASP A 31 7.180 2.187 8.782 1.00 0.00 N ATOM 332 CA ASP A 31 8.388 1.685 8.074 1.00 0.00 C ATOM 333 C ASP A 31 8.096 1.642 6.573 1.00 0.00 C ATOM 334 O ASP A 31 8.849 1.094 5.795 1.00 0.00 O ATOM 335 CB ASP A 31 8.710 0.278 8.581 1.00 0.00 C ATOM 336 CG ASP A 31 9.167 0.353 10.041 1.00 0.00 C ATOM 337 OD1 ASP A 31 9.479 1.443 10.489 1.00 0.00 O ATOM 338 OD2 ASP A 31 9.196 -0.683 10.685 1.00 0.00 O ATOM 0 H ASP A 31 6.578 1.462 9.173 1.00 0.00 H new ATOM 0 HA ASP A 31 9.239 2.340 8.261 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.831 -0.361 8.496 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.491 -0.171 7.967 1.00 0.00 H new ATOM 343 N PHE A 32 6.996 2.212 6.164 1.00 0.00 N ATOM 344 CA PHE A 32 6.634 2.205 4.719 1.00 0.00 C ATOM 345 C PHE A 32 7.764 2.820 3.888 1.00 0.00 C ATOM 346 O PHE A 32 8.254 3.895 4.174 1.00 0.00 O ATOM 347 CB PHE A 32 5.356 3.027 4.522 1.00 0.00 C ATOM 348 CG PHE A 32 5.089 3.222 3.048 1.00 0.00 C ATOM 349 CD1 PHE A 32 5.738 4.249 2.354 1.00 0.00 C ATOM 350 CD2 PHE A 32 4.202 2.375 2.375 1.00 0.00 C ATOM 351 CE1 PHE A 32 5.499 4.432 0.988 1.00 0.00 C ATOM 352 CE2 PHE A 32 3.963 2.556 1.009 1.00 0.00 C ATOM 353 CZ PHE A 32 4.611 3.586 0.315 1.00 0.00 C ATOM 0 H PHE A 32 6.328 2.685 6.773 1.00 0.00 H new ATOM 0 HA PHE A 32 6.474 1.177 4.393 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.512 2.520 4.989 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.457 3.995 5.013 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.424 4.901 2.874 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.702 1.581 2.910 1.00 0.00 H new ATOM 0 HE1 PHE A 32 6.000 5.226 0.453 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.279 1.902 0.489 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.425 3.727 -0.739 1.00 0.00 H new ATOM 363 N ASN A 33 8.169 2.139 2.849 1.00 0.00 N ATOM 364 CA ASN A 33 9.255 2.659 1.967 1.00 0.00 C ATOM 365 C ASN A 33 8.639 3.275 0.710 1.00 0.00 C ATOM 366 O ASN A 33 8.682 4.472 0.503 1.00 0.00 O ATOM 367 CB ASN A 33 10.152 1.494 1.556 1.00 0.00 C ATOM 368 CG ASN A 33 11.026 1.077 2.738 1.00 0.00 C ATOM 369 OD1 ASN A 33 11.202 1.830 3.675 1.00 0.00 O ATOM 370 ND2 ASN A 33 11.581 -0.103 2.735 1.00 0.00 N ATOM 0 H ASN A 33 7.789 1.234 2.571 1.00 0.00 H new ATOM 0 HA ASN A 33 9.833 3.414 2.500 1.00 0.00 H new ATOM 0 HB2 ASN A 33 9.543 0.652 1.226 1.00 0.00 H new ATOM 0 HB3 ASN A 33 10.778 1.784 0.712 1.00 0.00 H new ATOM 0 HD21 ASN A 33 12.164 -0.395 3.520 1.00 0.00 H new ATOM 0 HD22 ASN A 33 11.433 -0.734 1.948 1.00 0.00 H new ATOM 377 N THR A 34 8.069 2.462 -0.138 1.00 0.00 N ATOM 378 CA THR A 34 7.456 2.994 -1.390 1.00 0.00 C ATOM 379 C THR A 34 6.322 2.073 -1.841 1.00 0.00 C ATOM 380 O THR A 34 6.166 0.976 -1.341 1.00 0.00 O ATOM 381 CB THR A 34 8.524 3.076 -2.482 1.00 0.00 C ATOM 382 OG1 THR A 34 7.911 3.438 -3.709 1.00 0.00 O ATOM 383 CG2 THR A 34 9.216 1.721 -2.632 1.00 0.00 C ATOM 0 H THR A 34 8.001 1.451 -0.018 1.00 0.00 H new ATOM 0 HA THR A 34 7.052 3.989 -1.203 1.00 0.00 H new ATOM 0 HB THR A 34 9.266 3.826 -2.209 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.592 3.493 -4.411 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.976 1.785 -3.411 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.686 1.446 -1.688 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.480 0.965 -2.904 1.00 0.00 H new ATOM 391 N VAL A 35 5.528 2.517 -2.785 1.00 0.00 N ATOM 392 CA VAL A 35 4.390 1.682 -3.288 1.00 0.00 C ATOM 393 C VAL A 35 4.454 1.616 -4.810 1.00 0.00 C ATOM 394 O VAL A 35 4.721 2.599 -5.472 1.00 0.00 O ATOM 395 CB VAL A 35 3.060 2.315 -2.859 1.00 0.00 C ATOM 396 CG1 VAL A 35 3.024 3.791 -3.268 1.00 0.00 C ATOM 397 CG2 VAL A 35 1.899 1.570 -3.521 1.00 0.00 C ATOM 0 H VAL A 35 5.620 3.429 -3.232 1.00 0.00 H new ATOM 0 HA VAL A 35 4.461 0.677 -2.873 1.00 0.00 H new ATOM 0 HB VAL A 35 2.966 2.244 -1.775 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.076 4.231 -2.959 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.845 4.322 -2.786 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.126 3.871 -4.350 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.955 2.021 -3.215 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.997 1.633 -4.605 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.917 0.524 -3.216 1.00 0.00 H new ATOM 407 N THR A 36 4.213 0.455 -5.370 1.00 0.00 N ATOM 408 CA THR A 36 4.256 0.300 -6.856 1.00 0.00 C ATOM 409 C THR A 36 2.932 -0.288 -7.340 1.00 0.00 C ATOM 410 O THR A 36 2.503 -1.339 -6.892 1.00 0.00 O ATOM 411 CB THR A 36 5.402 -0.642 -7.220 1.00 0.00 C ATOM 412 OG1 THR A 36 6.626 -0.083 -6.763 1.00 0.00 O ATOM 413 CG2 THR A 36 5.454 -0.829 -8.736 1.00 0.00 C ATOM 0 H THR A 36 3.987 -0.397 -4.857 1.00 0.00 H new ATOM 0 HA THR A 36 4.413 1.269 -7.330 1.00 0.00 H new ATOM 0 HB THR A 36 5.244 -1.612 -6.748 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.366 -0.684 -6.992 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.273 -1.502 -8.992 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.513 -1.255 -9.083 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.614 0.136 -9.216 1.00 0.00 H new ATOM 421 N PHE A 37 2.287 0.390 -8.257 1.00 0.00 N ATOM 422 CA PHE A 37 0.986 -0.101 -8.800 1.00 0.00 C ATOM 423 C PHE A 37 1.222 -0.677 -10.193 1.00 0.00 C ATOM 424 O PHE A 37 1.639 0.013 -11.101 1.00 0.00 O ATOM 425 CB PHE A 37 0.004 1.069 -8.898 1.00 0.00 C ATOM 426 CG PHE A 37 -0.276 1.605 -7.514 1.00 0.00 C ATOM 427 CD1 PHE A 37 -1.179 0.943 -6.675 1.00 0.00 C ATOM 428 CD2 PHE A 37 0.370 2.766 -7.069 1.00 0.00 C ATOM 429 CE1 PHE A 37 -1.438 1.441 -5.392 1.00 0.00 C ATOM 430 CE2 PHE A 37 0.110 3.264 -5.788 1.00 0.00 C ATOM 431 CZ PHE A 37 -0.793 2.602 -4.949 1.00 0.00 C ATOM 0 H PHE A 37 2.611 1.271 -8.655 1.00 0.00 H new ATOM 0 HA PHE A 37 0.574 -0.867 -8.143 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.420 1.856 -9.528 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.923 0.742 -9.368 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.677 0.048 -7.017 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.069 3.276 -7.715 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.135 0.930 -4.745 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.607 4.160 -5.446 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.992 2.987 -3.960 1.00 0.00 H new ATOM 441 N THR A 38 0.952 -1.938 -10.368 1.00 0.00 N ATOM 442 CA THR A 38 1.149 -2.576 -11.700 1.00 0.00 C ATOM 443 C THR A 38 -0.004 -3.553 -11.931 1.00 0.00 C ATOM 444 O THR A 38 0.064 -4.432 -12.764 1.00 0.00 O ATOM 445 CB THR A 38 2.494 -3.315 -11.719 1.00 0.00 C ATOM 446 OG1 THR A 38 2.551 -4.167 -12.850 1.00 0.00 O ATOM 447 CG2 THR A 38 2.648 -4.146 -10.445 1.00 0.00 C ATOM 0 H THR A 38 0.600 -2.560 -9.640 1.00 0.00 H new ATOM 0 HA THR A 38 1.160 -1.826 -12.491 1.00 0.00 H new ATOM 0 HB THR A 38 3.302 -2.586 -11.771 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.682 -4.602 -12.976 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.605 -4.668 -10.465 1.00 0.00 H new ATOM 0 HG22 THR A 38 2.611 -3.490 -9.576 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.839 -4.874 -10.385 1.00 0.00 H new ATOM 455 N ASN A 39 -1.073 -3.389 -11.194 1.00 0.00 N ATOM 456 CA ASN A 39 -2.254 -4.288 -11.357 1.00 0.00 C ATOM 457 C ASN A 39 -3.526 -3.519 -10.981 1.00 0.00 C ATOM 458 O ASN A 39 -3.780 -3.260 -9.822 1.00 0.00 O ATOM 459 CB ASN A 39 -2.096 -5.507 -10.441 1.00 0.00 C ATOM 460 CG ASN A 39 -3.348 -6.383 -10.530 1.00 0.00 C ATOM 461 OD1 ASN A 39 -4.308 -6.027 -11.182 1.00 0.00 O ATOM 462 ND2 ASN A 39 -3.380 -7.522 -9.895 1.00 0.00 N ATOM 0 H ASN A 39 -1.178 -2.666 -10.482 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.324 -4.623 -12.392 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -1.217 -6.082 -10.732 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -1.939 -5.183 -9.412 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -4.211 -8.112 -9.947 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -2.574 -7.823 -9.347 1.00 0.00 H new ATOM 469 N GLU A 40 -4.325 -3.148 -11.954 1.00 0.00 N ATOM 470 CA GLU A 40 -5.590 -2.391 -11.664 1.00 0.00 C ATOM 471 C GLU A 40 -6.758 -3.049 -12.400 1.00 0.00 C ATOM 472 O GLU A 40 -6.625 -3.481 -13.527 1.00 0.00 O ATOM 473 CB GLU A 40 -5.438 -0.937 -12.128 1.00 0.00 C ATOM 474 CG GLU A 40 -5.176 -0.888 -13.634 1.00 0.00 C ATOM 475 CD GLU A 40 -4.939 0.563 -14.056 1.00 0.00 C ATOM 476 OE1 GLU A 40 -5.536 1.440 -13.452 1.00 0.00 O ATOM 477 OE2 GLU A 40 -4.167 0.774 -14.976 1.00 0.00 O ATOM 0 H GLU A 40 -4.156 -3.337 -12.942 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.785 -2.406 -10.592 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.341 -0.375 -11.890 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.616 -0.461 -11.593 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.308 -1.498 -13.884 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.025 -1.303 -14.177 1.00 0.00 H new ATOM 484 N GLU A 41 -7.905 -3.125 -11.769 1.00 0.00 N ATOM 485 CA GLU A 41 -9.095 -3.753 -12.426 1.00 0.00 C ATOM 486 C GLU A 41 -10.331 -2.889 -12.180 1.00 0.00 C ATOM 487 O GLU A 41 -10.391 -2.122 -11.241 1.00 0.00 O ATOM 488 CB GLU A 41 -9.320 -5.148 -11.844 1.00 0.00 C ATOM 489 CG GLU A 41 -8.179 -6.061 -12.285 1.00 0.00 C ATOM 490 CD GLU A 41 -8.369 -7.448 -11.674 1.00 0.00 C ATOM 491 OE1 GLU A 41 -9.340 -7.632 -10.960 1.00 0.00 O ATOM 492 OE2 GLU A 41 -7.538 -8.305 -11.931 1.00 0.00 O ATOM 0 H GLU A 41 -8.069 -2.778 -10.824 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.918 -3.832 -13.499 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.364 -5.099 -10.756 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.275 -5.548 -12.184 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.155 -6.131 -13.372 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.223 -5.642 -11.972 1.00 0.00 H new ATOM 499 N PHE A 42 -11.316 -3.000 -13.030 1.00 0.00 N ATOM 500 CA PHE A 42 -12.553 -2.179 -12.866 1.00 0.00 C ATOM 501 C PHE A 42 -13.635 -3.001 -12.165 1.00 0.00 C ATOM 502 O PHE A 42 -14.013 -4.065 -12.611 1.00 0.00 O ATOM 503 CB PHE A 42 -13.045 -1.749 -14.247 1.00 0.00 C ATOM 504 CG PHE A 42 -13.284 -2.969 -15.108 1.00 0.00 C ATOM 505 CD1 PHE A 42 -12.236 -3.505 -15.867 1.00 0.00 C ATOM 506 CD2 PHE A 42 -14.554 -3.555 -15.157 1.00 0.00 C ATOM 507 CE1 PHE A 42 -12.459 -4.628 -16.675 1.00 0.00 C ATOM 508 CE2 PHE A 42 -14.776 -4.680 -15.964 1.00 0.00 C ATOM 509 CZ PHE A 42 -13.728 -5.215 -16.724 1.00 0.00 C ATOM 0 H PHE A 42 -11.318 -3.627 -13.835 1.00 0.00 H new ATOM 0 HA PHE A 42 -12.333 -1.300 -12.260 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -13.966 -1.173 -14.152 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -12.309 -1.098 -14.719 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -11.256 -3.053 -15.830 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -15.363 -3.141 -14.573 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -11.651 -5.041 -17.260 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -15.755 -5.134 -16.000 1.00 0.00 H new ATOM 0 HZ PHE A 42 -13.899 -6.080 -17.347 1.00 0.00 H new ATOM 519 N ASN A 43 -14.132 -2.509 -11.063 1.00 0.00 N ATOM 520 CA ASN A 43 -15.191 -3.244 -10.313 1.00 0.00 C ATOM 521 C ASN A 43 -16.569 -2.696 -10.719 1.00 0.00 C ATOM 522 O ASN A 43 -16.691 -1.557 -11.123 1.00 0.00 O ATOM 523 CB ASN A 43 -14.969 -3.014 -8.808 1.00 0.00 C ATOM 524 CG ASN A 43 -13.922 -4.000 -8.285 1.00 0.00 C ATOM 525 OD1 ASN A 43 -14.065 -4.542 -7.208 1.00 0.00 O ATOM 526 ND2 ASN A 43 -12.868 -4.255 -9.010 1.00 0.00 N ATOM 0 H ASN A 43 -13.848 -1.622 -10.647 1.00 0.00 H new ATOM 0 HA ASN A 43 -15.146 -4.310 -10.538 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -14.639 -1.990 -8.631 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -15.907 -3.144 -8.268 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -12.163 -4.910 -8.672 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.749 -3.799 -9.915 1.00 0.00 H new ATOM 533 N PRO A 44 -17.601 -3.495 -10.604 1.00 0.00 N ATOM 534 CA PRO A 44 -18.992 -3.072 -10.953 1.00 0.00 C ATOM 535 C PRO A 44 -19.501 -1.988 -9.996 1.00 0.00 C ATOM 536 O PRO A 44 -20.396 -1.230 -10.312 1.00 0.00 O ATOM 537 CB PRO A 44 -19.812 -4.369 -10.817 1.00 0.00 C ATOM 538 CG PRO A 44 -19.030 -5.216 -9.867 1.00 0.00 C ATOM 539 CD PRO A 44 -17.562 -4.888 -10.126 1.00 0.00 C ATOM 0 HA PRO A 44 -19.061 -2.633 -11.948 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -20.813 -4.166 -10.435 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -19.933 -4.864 -11.781 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -19.303 -4.998 -8.834 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -19.229 -6.275 -10.033 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -16.963 -4.985 -9.221 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -17.126 -5.556 -10.869 1.00 0.00 H new ATOM 547 N ILE A 45 -18.927 -1.915 -8.823 1.00 0.00 N ATOM 548 CA ILE A 45 -19.350 -0.887 -7.824 1.00 0.00 C ATOM 549 C ILE A 45 -18.328 0.249 -7.821 1.00 0.00 C ATOM 550 O ILE A 45 -18.483 1.240 -7.138 1.00 0.00 O ATOM 551 CB ILE A 45 -19.418 -1.540 -6.437 1.00 0.00 C ATOM 552 CG1 ILE A 45 -18.055 -2.145 -6.078 1.00 0.00 C ATOM 553 CG2 ILE A 45 -20.474 -2.649 -6.447 1.00 0.00 C ATOM 554 CD1 ILE A 45 -18.105 -2.713 -4.658 1.00 0.00 C ATOM 0 H ILE A 45 -18.175 -2.530 -8.511 1.00 0.00 H new ATOM 0 HA ILE A 45 -20.331 -0.487 -8.081 1.00 0.00 H new ATOM 0 HB ILE A 45 -19.684 -0.783 -5.699 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -17.797 -2.932 -6.787 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -17.278 -1.384 -6.149 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -20.523 -3.114 -5.462 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -21.446 -2.224 -6.696 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -20.206 -3.400 -7.190 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -17.136 -3.143 -4.404 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -18.344 -1.915 -3.955 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -18.871 -3.487 -4.602 1.00 0.00 H new ATOM 566 N GLY A 46 -17.280 0.105 -8.582 1.00 0.00 N ATOM 567 CA GLY A 46 -16.240 1.169 -8.626 1.00 0.00 C ATOM 568 C GLY A 46 -14.961 0.599 -9.242 1.00 0.00 C ATOM 569 O GLY A 46 -15.001 -0.069 -10.255 1.00 0.00 O ATOM 0 H GLY A 46 -17.099 -0.704 -9.176 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -16.594 2.016 -9.213 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -16.040 1.540 -7.621 1.00 0.00 H new ATOM 573 N ILE A 47 -13.822 0.858 -8.639 1.00 0.00 N ATOM 574 CA ILE A 47 -12.528 0.333 -9.192 1.00 0.00 C ATOM 575 C ILE A 47 -11.741 -0.412 -8.114 1.00 0.00 C ATOM 576 O ILE A 47 -11.944 -0.226 -6.926 1.00 0.00 O ATOM 577 CB ILE A 47 -11.691 1.498 -9.723 1.00 0.00 C ATOM 578 CG1 ILE A 47 -11.471 2.537 -8.614 1.00 0.00 C ATOM 579 CG2 ILE A 47 -12.424 2.146 -10.895 1.00 0.00 C ATOM 580 CD1 ILE A 47 -10.462 3.588 -9.084 1.00 0.00 C ATOM 0 H ILE A 47 -13.732 1.411 -7.787 1.00 0.00 H new ATOM 0 HA ILE A 47 -12.751 -0.362 -10.001 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.721 1.126 -10.054 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.416 3.015 -8.358 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.107 2.047 -7.711 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -11.833 2.978 -11.279 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -12.570 1.409 -11.685 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -13.393 2.514 -10.559 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -10.308 4.324 -8.294 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -9.514 3.103 -9.318 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -10.844 4.086 -9.975 1.00 0.00 H new ATOM 592 N SER A 48 -10.829 -1.252 -8.543 1.00 0.00 N ATOM 593 CA SER A 48 -9.983 -2.033 -7.593 1.00 0.00 C ATOM 594 C SER A 48 -8.515 -1.797 -7.939 1.00 0.00 C ATOM 595 O SER A 48 -8.134 -1.790 -9.093 1.00 0.00 O ATOM 596 CB SER A 48 -10.312 -3.522 -7.737 1.00 0.00 C ATOM 597 OG SER A 48 -10.475 -3.830 -9.114 1.00 0.00 O ATOM 0 H SER A 48 -10.634 -1.430 -9.528 1.00 0.00 H new ATOM 0 HA SER A 48 -10.176 -1.718 -6.568 1.00 0.00 H new ATOM 0 HB2 SER A 48 -9.513 -4.127 -7.308 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.223 -3.761 -7.188 1.00 0.00 H new ATOM 0 HG SER A 48 -9.925 -3.223 -9.652 1.00 0.00 H new ATOM 603 N ILE A 49 -7.688 -1.601 -6.944 1.00 0.00 N ATOM 604 CA ILE A 49 -6.232 -1.361 -7.192 1.00 0.00 C ATOM 605 C ILE A 49 -5.411 -2.377 -6.404 1.00 0.00 C ATOM 606 O ILE A 49 -5.620 -2.580 -5.225 1.00 0.00 O ATOM 607 CB ILE A 49 -5.877 0.054 -6.742 1.00 0.00 C ATOM 608 CG1 ILE A 49 -6.619 1.054 -7.634 1.00 0.00 C ATOM 609 CG2 ILE A 49 -4.367 0.268 -6.871 1.00 0.00 C ATOM 610 CD1 ILE A 49 -6.498 2.463 -7.052 1.00 0.00 C ATOM 0 H ILE A 49 -7.961 -1.597 -5.961 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.012 -1.470 -8.254 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.169 0.199 -5.702 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -6.205 1.031 -8.642 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.669 0.773 -7.714 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.114 1.278 -6.550 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.842 -0.454 -6.245 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.068 0.132 -7.910 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -7.028 3.168 -7.692 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.933 2.482 -6.053 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.446 2.744 -6.996 1.00 0.00 H new ATOM 622 N ASP A 50 -4.477 -3.021 -7.056 1.00 0.00 N ATOM 623 CA ASP A 50 -3.625 -4.039 -6.370 1.00 0.00 C ATOM 624 C ASP A 50 -2.156 -3.760 -6.677 1.00 0.00 C ATOM 625 O ASP A 50 -1.791 -3.450 -7.792 1.00 0.00 O ATOM 626 CB ASP A 50 -4.001 -5.429 -6.881 1.00 0.00 C ATOM 627 CG ASP A 50 -3.276 -6.487 -6.050 1.00 0.00 C ATOM 628 OD1 ASP A 50 -3.414 -6.457 -4.838 1.00 0.00 O ATOM 629 OD2 ASP A 50 -2.594 -7.309 -6.639 1.00 0.00 O ATOM 0 H ASP A 50 -4.266 -2.883 -8.044 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.783 -3.990 -5.293 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.079 -5.574 -6.814 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.731 -5.528 -7.932 1.00 0.00 H new ATOM 634 N GLY A 51 -1.310 -3.861 -5.691 1.00 0.00 N ATOM 635 CA GLY A 51 0.134 -3.594 -5.923 1.00 0.00 C ATOM 636 C GLY A 51 0.939 -4.092 -4.725 1.00 0.00 C ATOM 637 O GLY A 51 0.475 -4.902 -3.948 1.00 0.00 O ATOM 0 H GLY A 51 -1.557 -4.117 -4.735 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.466 -4.095 -6.832 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.299 -2.526 -6.068 1.00 0.00 H new ATOM 641 N TYR A 52 2.143 -3.615 -4.567 1.00 0.00 N ATOM 642 CA TYR A 52 2.983 -4.067 -3.411 1.00 0.00 C ATOM 643 C TYR A 52 3.891 -2.932 -2.953 1.00 0.00 C ATOM 644 O TYR A 52 4.033 -1.929 -3.624 1.00 0.00 O ATOM 645 CB TYR A 52 3.837 -5.267 -3.828 1.00 0.00 C ATOM 646 CG TYR A 52 4.469 -4.999 -5.173 1.00 0.00 C ATOM 647 CD1 TYR A 52 5.640 -4.237 -5.268 1.00 0.00 C ATOM 648 CD2 TYR A 52 3.879 -5.522 -6.329 1.00 0.00 C ATOM 649 CE1 TYR A 52 6.220 -4.001 -6.523 1.00 0.00 C ATOM 650 CE2 TYR A 52 4.457 -5.285 -7.580 1.00 0.00 C ATOM 651 CZ TYR A 52 5.628 -4.525 -7.677 1.00 0.00 C ATOM 652 OH TYR A 52 6.198 -4.292 -8.913 1.00 0.00 O ATOM 0 H TYR A 52 2.585 -2.933 -5.184 1.00 0.00 H new ATOM 0 HA TYR A 52 2.328 -4.357 -2.590 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.610 -5.452 -3.082 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.221 -6.165 -3.877 1.00 0.00 H new ATOM 0 HD1 TYR A 52 6.096 -3.832 -4.377 1.00 0.00 H new ATOM 0 HD2 TYR A 52 2.976 -6.110 -6.255 1.00 0.00 H new ATOM 0 HE1 TYR A 52 7.124 -3.415 -6.598 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.000 -5.688 -8.471 1.00 0.00 H new ATOM 0 HH TYR A 52 5.662 -4.728 -9.608 1.00 0.00 H new ATOM 662 N ILE A 53 4.501 -3.080 -1.800 1.00 0.00 N ATOM 663 CA ILE A 53 5.404 -2.001 -1.266 1.00 0.00 C ATOM 664 C ILE A 53 6.823 -2.540 -1.042 1.00 0.00 C ATOM 665 O ILE A 53 7.051 -3.728 -0.946 1.00 0.00 O ATOM 666 CB ILE A 53 4.837 -1.472 0.056 1.00 0.00 C ATOM 667 CG1 ILE A 53 4.726 -2.608 1.079 1.00 0.00 C ATOM 668 CG2 ILE A 53 3.448 -0.875 -0.182 1.00 0.00 C ATOM 669 CD1 ILE A 53 4.291 -2.036 2.430 1.00 0.00 C ATOM 0 H ILE A 53 4.414 -3.902 -1.202 1.00 0.00 H new ATOM 0 HA ILE A 53 5.454 -1.193 -1.996 1.00 0.00 H new ATOM 0 HB ILE A 53 5.509 -0.705 0.442 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.005 -3.351 0.737 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.685 -3.117 1.179 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.047 -0.500 0.760 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.522 -0.056 -0.897 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.785 -1.644 -0.578 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.212 -2.843 3.158 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.028 -1.310 2.772 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.323 -1.547 2.323 1.00 0.00 H new ATOM 681 N ASN A 54 7.777 -1.649 -0.966 1.00 0.00 N ATOM 682 CA ASN A 54 9.201 -2.055 -0.755 1.00 0.00 C ATOM 683 C ASN A 54 9.651 -2.988 -1.888 1.00 0.00 C ATOM 684 O ASN A 54 10.456 -3.875 -1.698 1.00 0.00 O ATOM 685 CB ASN A 54 9.342 -2.758 0.602 1.00 0.00 C ATOM 686 CG ASN A 54 8.682 -1.901 1.688 1.00 0.00 C ATOM 687 OD1 ASN A 54 7.724 -1.204 1.427 1.00 0.00 O ATOM 688 ND2 ASN A 54 9.162 -1.920 2.903 1.00 0.00 N ATOM 0 H ASN A 54 7.629 -0.643 -1.042 1.00 0.00 H new ATOM 0 HA ASN A 54 9.834 -1.168 -0.761 1.00 0.00 H new ATOM 0 HB2 ASN A 54 8.874 -3.742 0.565 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.395 -2.914 0.836 1.00 0.00 H new ATOM 0 HD21 ASN A 54 8.731 -1.349 3.630 1.00 0.00 H new ATOM 0 HD22 ASN A 54 9.967 -2.506 3.124 1.00 0.00 H new ATOM 695 N ASN A 55 9.140 -2.777 -3.072 1.00 0.00 N ATOM 696 CA ASN A 55 9.533 -3.625 -4.238 1.00 0.00 C ATOM 697 C ASN A 55 9.502 -5.101 -3.847 1.00 0.00 C ATOM 698 O ASN A 55 10.236 -5.907 -4.383 1.00 0.00 O ATOM 699 CB ASN A 55 10.944 -3.250 -4.703 1.00 0.00 C ATOM 700 CG ASN A 55 10.923 -1.871 -5.375 1.00 0.00 C ATOM 701 OD1 ASN A 55 11.905 -1.160 -5.348 1.00 0.00 O ATOM 702 ND2 ASN A 55 9.841 -1.462 -5.984 1.00 0.00 N ATOM 0 H ASN A 55 8.460 -2.046 -3.284 1.00 0.00 H new ATOM 0 HA ASN A 55 8.826 -3.454 -5.050 1.00 0.00 H new ATOM 0 HB2 ASN A 55 11.626 -3.239 -3.853 1.00 0.00 H new ATOM 0 HB3 ASN A 55 11.317 -3.999 -5.401 1.00 0.00 H new ATOM 0 HD21 ASN A 55 9.824 -0.547 -6.435 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.013 -2.058 -6.008 1.00 0.00 H new ATOM 709 N ASP A 56 8.652 -5.462 -2.920 1.00 0.00 N ATOM 710 CA ASP A 56 8.556 -6.890 -2.486 1.00 0.00 C ATOM 711 C ASP A 56 7.236 -7.488 -2.983 1.00 0.00 C ATOM 712 O ASP A 56 6.168 -7.123 -2.536 1.00 0.00 O ATOM 713 CB ASP A 56 8.616 -6.953 -0.961 1.00 0.00 C ATOM 714 CG ASP A 56 8.800 -8.405 -0.519 1.00 0.00 C ATOM 715 OD1 ASP A 56 8.703 -9.278 -1.367 1.00 0.00 O ATOM 716 OD2 ASP A 56 9.043 -8.619 0.656 1.00 0.00 O ATOM 0 H ASP A 56 8.016 -4.825 -2.441 1.00 0.00 H new ATOM 0 HA ASP A 56 9.384 -7.462 -2.905 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.440 -6.342 -0.593 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.701 -6.544 -0.533 1.00 0.00 H new ATOM 721 N LYS A 57 7.311 -8.406 -3.906 1.00 0.00 N ATOM 722 CA LYS A 57 6.078 -9.041 -4.453 1.00 0.00 C ATOM 723 C LYS A 57 5.298 -9.705 -3.316 1.00 0.00 C ATOM 724 O LYS A 57 4.085 -9.742 -3.317 1.00 0.00 O ATOM 725 CB LYS A 57 6.483 -10.099 -5.477 1.00 0.00 C ATOM 726 CG LYS A 57 7.084 -9.419 -6.712 1.00 0.00 C ATOM 727 CD LYS A 57 7.583 -10.485 -7.700 1.00 0.00 C ATOM 728 CE LYS A 57 6.398 -11.143 -8.421 1.00 0.00 C ATOM 729 NZ LYS A 57 6.894 -11.898 -9.607 1.00 0.00 N ATOM 0 H LYS A 57 8.183 -8.747 -4.309 1.00 0.00 H new ATOM 0 HA LYS A 57 5.450 -8.286 -4.926 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.208 -10.785 -5.038 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.615 -10.693 -5.763 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.336 -8.787 -7.191 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.908 -8.769 -6.416 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.253 -10.029 -8.429 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.159 -11.242 -7.168 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.873 -11.815 -7.742 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.682 -10.383 -8.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.091 -12.344 -10.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.376 -11.245 -10.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.561 -12.633 -9.297 1.00 0.00 H new ATOM 743 N ASN A 58 5.989 -10.232 -2.349 1.00 0.00 N ATOM 744 CA ASN A 58 5.297 -10.895 -1.210 1.00 0.00 C ATOM 745 C ASN A 58 4.426 -9.870 -0.481 1.00 0.00 C ATOM 746 O ASN A 58 3.333 -10.168 -0.042 1.00 0.00 O ATOM 747 CB ASN A 58 6.340 -11.445 -0.236 1.00 0.00 C ATOM 748 CG ASN A 58 6.971 -12.714 -0.812 1.00 0.00 C ATOM 749 OD1 ASN A 58 6.444 -13.307 -1.731 1.00 0.00 O ATOM 750 ND2 ASN A 58 8.085 -13.161 -0.300 1.00 0.00 N ATOM 0 H ASN A 58 7.008 -10.233 -2.297 1.00 0.00 H new ATOM 0 HA ASN A 58 4.675 -11.708 -1.585 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.110 -10.696 -0.053 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.874 -11.664 0.725 1.00 0.00 H new ATOM 0 HD21 ASN A 58 8.513 -14.009 -0.672 1.00 0.00 H new ATOM 0 HD22 ASN A 58 8.528 -12.663 0.472 1.00 0.00 H new ATOM 757 N LEU A 59 4.905 -8.666 -0.334 1.00 0.00 N ATOM 758 CA LEU A 59 4.107 -7.629 0.380 1.00 0.00 C ATOM 759 C LEU A 59 3.089 -7.029 -0.587 1.00 0.00 C ATOM 760 O LEU A 59 3.240 -5.913 -1.055 1.00 0.00 O ATOM 761 CB LEU A 59 5.046 -6.536 0.894 1.00 0.00 C ATOM 762 CG LEU A 59 6.144 -7.165 1.765 1.00 0.00 C ATOM 763 CD1 LEU A 59 7.090 -6.067 2.262 1.00 0.00 C ATOM 764 CD2 LEU A 59 5.518 -7.889 2.968 1.00 0.00 C ATOM 0 H LEU A 59 5.814 -8.355 -0.677 1.00 0.00 H new ATOM 0 HA LEU A 59 3.582 -8.077 1.224 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.494 -6.004 0.055 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.484 -5.803 1.473 1.00 0.00 H new ATOM 0 HG LEU A 59 6.701 -7.888 1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 59 7.870 -6.511 2.880 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.545 -5.565 1.408 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.528 -5.342 2.851 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.306 -8.331 3.577 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.952 -7.176 3.568 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.851 -8.675 2.613 1.00 0.00 H new ATOM 776 N SER A 60 2.056 -7.774 -0.896 1.00 0.00 N ATOM 777 CA SER A 60 1.010 -7.282 -1.845 1.00 0.00 C ATOM 778 C SER A 60 -0.212 -6.783 -1.069 1.00 0.00 C ATOM 779 O SER A 60 -0.464 -7.186 0.056 1.00 0.00 O ATOM 780 CB SER A 60 0.588 -8.434 -2.760 1.00 0.00 C ATOM 781 OG SER A 60 1.598 -8.650 -3.737 1.00 0.00 O ATOM 0 H SER A 60 1.892 -8.711 -0.527 1.00 0.00 H new ATOM 0 HA SER A 60 1.417 -6.461 -2.435 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.432 -9.340 -2.175 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.360 -8.200 -3.245 1.00 0.00 H new ATOM 0 HG SER A 60 2.378 -9.066 -3.314 1.00 0.00 H new ATOM 787 N PHE A 61 -0.983 -5.916 -1.675 1.00 0.00 N ATOM 788 CA PHE A 61 -2.202 -5.389 -0.998 1.00 0.00 C ATOM 789 C PHE A 61 -3.252 -5.025 -2.044 1.00 0.00 C ATOM 790 O PHE A 61 -2.936 -4.729 -3.179 1.00 0.00 O ATOM 791 CB PHE A 61 -1.844 -4.147 -0.184 1.00 0.00 C ATOM 792 CG PHE A 61 -1.383 -3.042 -1.106 1.00 0.00 C ATOM 793 CD1 PHE A 61 -2.316 -2.146 -1.641 1.00 0.00 C ATOM 794 CD2 PHE A 61 -0.024 -2.906 -1.416 1.00 0.00 C ATOM 795 CE1 PHE A 61 -1.891 -1.113 -2.486 1.00 0.00 C ATOM 796 CE2 PHE A 61 0.400 -1.874 -2.263 1.00 0.00 C ATOM 797 CZ PHE A 61 -0.533 -0.978 -2.797 1.00 0.00 C ATOM 0 H PHE A 61 -0.818 -5.550 -2.613 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.601 -6.155 -0.333 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.710 -3.816 0.390 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -1.058 -4.386 0.533 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.364 -2.251 -1.402 1.00 0.00 H new ATOM 0 HD2 PHE A 61 0.696 -3.596 -1.002 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.611 -0.421 -2.897 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.448 -1.770 -2.504 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.205 -0.182 -3.449 1.00 0.00 H new ATOM 807 N THR A 62 -4.503 -5.042 -1.663 1.00 0.00 N ATOM 808 CA THR A 62 -5.601 -4.694 -2.618 1.00 0.00 C ATOM 809 C THR A 62 -6.541 -3.689 -1.956 1.00 0.00 C ATOM 810 O THR A 62 -6.946 -3.861 -0.825 1.00 0.00 O ATOM 811 CB THR A 62 -6.370 -5.961 -2.992 1.00 0.00 C ATOM 812 OG1 THR A 62 -5.489 -6.866 -3.645 1.00 0.00 O ATOM 813 CG2 THR A 62 -7.520 -5.599 -3.929 1.00 0.00 C ATOM 0 H THR A 62 -4.815 -5.284 -0.723 1.00 0.00 H new ATOM 0 HA THR A 62 -5.180 -4.253 -3.522 1.00 0.00 H new ATOM 0 HB THR A 62 -6.771 -6.427 -2.092 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.633 -6.421 -3.820 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.069 -6.502 -4.197 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.191 -4.901 -3.429 1.00 0.00 H new ATOM 0 HG23 THR A 62 -7.122 -5.136 -4.832 1.00 0.00 H new ATOM 821 N ALA A 63 -6.886 -2.633 -2.652 1.00 0.00 N ATOM 822 CA ALA A 63 -7.799 -1.601 -2.062 1.00 0.00 C ATOM 823 C ALA A 63 -8.850 -1.194 -3.094 1.00 0.00 C ATOM 824 O ALA A 63 -8.589 -1.140 -4.280 1.00 0.00 O ATOM 825 CB ALA A 63 -6.979 -0.374 -1.664 1.00 0.00 C ATOM 0 H ALA A 63 -6.575 -2.440 -3.604 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.296 -2.014 -1.184 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.638 0.380 -1.234 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.228 -0.661 -0.928 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.485 0.035 -2.545 1.00 0.00 H new ATOM 831 N GLY A 64 -10.047 -0.921 -2.646 1.00 0.00 N ATOM 832 CA GLY A 64 -11.142 -0.533 -3.588 1.00 0.00 C ATOM 833 C GLY A 64 -11.254 0.993 -3.698 1.00 0.00 C ATOM 834 O GLY A 64 -10.516 1.741 -3.080 1.00 0.00 O ATOM 0 H GLY A 64 -10.316 -0.950 -1.663 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.949 -0.959 -4.572 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.089 -0.947 -3.242 1.00 0.00 H new ATOM 838 N LYS A 65 -12.172 1.450 -4.506 1.00 0.00 N ATOM 839 CA LYS A 65 -12.353 2.920 -4.703 1.00 0.00 C ATOM 840 C LYS A 65 -12.492 3.638 -3.355 1.00 0.00 C ATOM 841 O LYS A 65 -13.244 3.237 -2.490 1.00 0.00 O ATOM 842 CB LYS A 65 -13.615 3.155 -5.536 1.00 0.00 C ATOM 843 CG LYS A 65 -13.701 4.630 -5.936 1.00 0.00 C ATOM 844 CD LYS A 65 -14.899 4.842 -6.866 1.00 0.00 C ATOM 845 CE LYS A 65 -14.969 6.314 -7.281 1.00 0.00 C ATOM 846 NZ LYS A 65 -16.104 6.515 -8.227 1.00 0.00 N ATOM 0 H LYS A 65 -12.811 0.864 -5.043 1.00 0.00 H new ATOM 0 HA LYS A 65 -11.478 3.319 -5.217 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -13.597 2.527 -6.427 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -14.498 2.871 -4.964 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -13.803 5.253 -5.047 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -12.782 4.936 -6.435 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -14.805 4.209 -7.748 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -15.820 4.551 -6.362 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -15.100 6.944 -6.401 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -14.033 6.614 -7.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -16.149 7.515 -8.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -15.961 5.925 -9.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -16.995 6.245 -7.763 1.00 0.00 H new ATOM 860 N ASP A 66 -11.765 4.711 -3.187 1.00 0.00 N ATOM 861 CA ASP A 66 -11.829 5.488 -1.917 1.00 0.00 C ATOM 862 C ASP A 66 -11.513 4.569 -0.733 1.00 0.00 C ATOM 863 O ASP A 66 -12.092 4.675 0.328 1.00 0.00 O ATOM 864 CB ASP A 66 -13.216 6.122 -1.759 1.00 0.00 C ATOM 865 CG ASP A 66 -13.187 7.130 -0.608 1.00 0.00 C ATOM 866 OD1 ASP A 66 -12.185 7.177 0.086 1.00 0.00 O ATOM 867 OD2 ASP A 66 -14.167 7.839 -0.440 1.00 0.00 O ATOM 0 H ASP A 66 -11.122 5.085 -3.885 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.089 6.288 -1.944 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -13.508 6.618 -2.684 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -13.960 5.350 -1.562 1.00 0.00 H new ATOM 872 N VAL A 67 -10.582 3.669 -0.918 1.00 0.00 N ATOM 873 CA VAL A 67 -10.184 2.728 0.172 1.00 0.00 C ATOM 874 C VAL A 67 -11.392 1.911 0.636 1.00 0.00 C ATOM 875 O VAL A 67 -11.796 0.972 -0.012 1.00 0.00 O ATOM 876 CB VAL A 67 -9.608 3.507 1.366 1.00 0.00 C ATOM 877 CG1 VAL A 67 -9.076 2.518 2.413 1.00 0.00 C ATOM 878 CG2 VAL A 67 -8.467 4.411 0.890 1.00 0.00 C ATOM 0 H VAL A 67 -10.072 3.544 -1.793 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.422 2.054 -0.220 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.392 4.120 1.810 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.667 3.069 3.260 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.889 1.878 2.755 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.293 1.904 1.968 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.061 4.962 1.738 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.682 3.801 0.444 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.845 5.115 0.148 1.00 0.00 H new ATOM 888 N LYS A 68 -11.951 2.255 1.763 1.00 0.00 N ATOM 889 CA LYS A 68 -13.117 1.497 2.305 1.00 0.00 C ATOM 890 C LYS A 68 -12.700 0.048 2.588 1.00 0.00 C ATOM 891 O LYS A 68 -12.618 -0.374 3.725 1.00 0.00 O ATOM 892 CB LYS A 68 -14.284 1.526 1.289 1.00 0.00 C ATOM 893 CG LYS A 68 -15.620 1.709 2.021 1.00 0.00 C ATOM 894 CD LYS A 68 -15.881 0.503 2.927 1.00 0.00 C ATOM 895 CE LYS A 68 -17.204 0.700 3.664 1.00 0.00 C ATOM 896 NZ LYS A 68 -17.470 -0.484 4.530 1.00 0.00 N ATOM 0 H LYS A 68 -11.646 3.039 2.340 1.00 0.00 H new ATOM 0 HA LYS A 68 -13.449 1.962 3.233 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -14.136 2.339 0.578 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -14.299 0.599 0.715 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -15.599 2.624 2.614 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -16.430 1.816 1.299 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -15.915 -0.411 2.334 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -15.067 0.389 3.643 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -17.164 1.606 4.269 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -18.016 0.830 2.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -18.371 -0.351 5.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -17.525 -1.339 3.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -16.700 -0.588 5.221 1.00 0.00 H new ATOM 910 N ILE A 69 -12.441 -0.715 1.560 1.00 0.00 N ATOM 911 CA ILE A 69 -12.034 -2.136 1.749 1.00 0.00 C ATOM 912 C ILE A 69 -10.541 -2.259 1.471 1.00 0.00 C ATOM 913 O ILE A 69 -10.066 -1.926 0.404 1.00 0.00 O ATOM 914 CB ILE A 69 -12.816 -3.007 0.768 1.00 0.00 C ATOM 915 CG1 ILE A 69 -14.312 -2.847 1.052 1.00 0.00 C ATOM 916 CG2 ILE A 69 -12.411 -4.468 0.948 1.00 0.00 C ATOM 917 CD1 ILE A 69 -15.127 -3.532 -0.046 1.00 0.00 C ATOM 0 H ILE A 69 -12.495 -0.410 0.588 1.00 0.00 H new ATOM 0 HA ILE A 69 -12.243 -2.460 2.769 1.00 0.00 H new ATOM 0 HB ILE A 69 -12.600 -2.702 -0.256 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -14.555 -3.281 2.022 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -14.570 -1.789 1.102 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -12.969 -5.089 0.248 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -11.343 -4.576 0.757 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -12.631 -4.784 1.968 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -16.190 -3.414 0.163 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -14.894 -3.078 -1.009 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -14.879 -4.593 -0.075 1.00 0.00 H new ATOM 929 N PHE A 70 -9.798 -2.727 2.438 1.00 0.00 N ATOM 930 CA PHE A 70 -8.322 -2.877 2.274 1.00 0.00 C ATOM 931 C PHE A 70 -7.915 -4.296 2.660 1.00 0.00 C ATOM 932 O PHE A 70 -8.329 -4.814 3.678 1.00 0.00 O ATOM 933 CB PHE A 70 -7.612 -1.880 3.193 1.00 0.00 C ATOM 934 CG PHE A 70 -6.124 -2.127 3.148 1.00 0.00 C ATOM 935 CD1 PHE A 70 -5.341 -1.527 2.156 1.00 0.00 C ATOM 936 CD2 PHE A 70 -5.531 -2.968 4.096 1.00 0.00 C ATOM 937 CE1 PHE A 70 -3.963 -1.765 2.114 1.00 0.00 C ATOM 938 CE2 PHE A 70 -4.154 -3.206 4.055 1.00 0.00 C ATOM 939 CZ PHE A 70 -3.369 -2.604 3.064 1.00 0.00 C ATOM 0 H PHE A 70 -10.156 -3.016 3.348 1.00 0.00 H new ATOM 0 HA PHE A 70 -8.044 -2.685 1.238 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.832 -0.860 2.879 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -7.978 -1.986 4.214 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.800 -0.880 1.423 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.137 -3.433 4.859 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.358 -1.302 1.349 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.696 -3.854 4.787 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.305 -2.787 3.033 1.00 0.00 H new ATOM 949 N SER A 71 -7.100 -4.923 1.857 1.00 0.00 N ATOM 950 CA SER A 71 -6.645 -6.313 2.163 1.00 0.00 C ATOM 951 C SER A 71 -5.128 -6.385 1.997 1.00 0.00 C ATOM 952 O SER A 71 -4.561 -5.780 1.109 1.00 0.00 O ATOM 953 CB SER A 71 -7.316 -7.286 1.194 1.00 0.00 C ATOM 954 OG SER A 71 -6.898 -8.609 1.497 1.00 0.00 O ATOM 0 H SER A 71 -6.725 -4.530 0.994 1.00 0.00 H new ATOM 0 HA SER A 71 -6.914 -6.579 3.185 1.00 0.00 H new ATOM 0 HB2 SER A 71 -8.400 -7.207 1.273 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.052 -7.035 0.167 1.00 0.00 H new ATOM 0 HG SER A 71 -7.327 -9.237 0.879 1.00 0.00 H new ATOM 960 N SER A 72 -4.467 -7.116 2.854 1.00 0.00 N ATOM 961 CA SER A 72 -2.978 -7.230 2.765 1.00 0.00 C ATOM 962 C SER A 72 -2.548 -8.668 3.041 1.00 0.00 C ATOM 963 O SER A 72 -3.250 -9.431 3.674 1.00 0.00 O ATOM 964 CB SER A 72 -2.343 -6.301 3.795 1.00 0.00 C ATOM 965 OG SER A 72 -3.000 -6.466 5.042 1.00 0.00 O ATOM 0 H SER A 72 -4.894 -7.642 3.616 1.00 0.00 H new ATOM 0 HA SER A 72 -2.653 -6.949 1.763 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.281 -6.525 3.898 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.420 -5.265 3.464 1.00 0.00 H new ATOM 0 HG SER A 72 -2.498 -5.997 5.741 1.00 0.00 H new ATOM 971 N SER A 73 -1.401 -9.042 2.552 1.00 0.00 N ATOM 972 CA SER A 73 -0.914 -10.437 2.759 1.00 0.00 C ATOM 973 C SER A 73 -0.558 -10.677 4.232 1.00 0.00 C ATOM 974 O SER A 73 -0.516 -9.766 5.034 1.00 0.00 O ATOM 975 CB SER A 73 0.331 -10.657 1.904 1.00 0.00 C ATOM 976 OG SER A 73 1.392 -9.858 2.408 1.00 0.00 O ATOM 0 H SER A 73 -0.775 -8.441 2.015 1.00 0.00 H new ATOM 0 HA SER A 73 -1.704 -11.132 2.473 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.614 -11.709 1.917 1.00 0.00 H new ATOM 0 HB3 SER A 73 0.125 -10.396 0.866 1.00 0.00 H new ATOM 0 HG SER A 73 2.123 -9.835 1.755 1.00 0.00 H new ATOM 982 N GLU A 74 -0.310 -11.910 4.586 1.00 0.00 N ATOM 983 CA GLU A 74 0.038 -12.246 5.999 1.00 0.00 C ATOM 984 C GLU A 74 1.305 -11.495 6.427 1.00 0.00 C ATOM 985 O GLU A 74 1.366 -10.918 7.492 1.00 0.00 O ATOM 986 CB GLU A 74 0.298 -13.753 6.090 1.00 0.00 C ATOM 987 CG GLU A 74 -1.008 -14.517 5.858 1.00 0.00 C ATOM 988 CD GLU A 74 -0.733 -16.023 5.878 1.00 0.00 C ATOM 989 OE1 GLU A 74 0.414 -16.396 6.070 1.00 0.00 O ATOM 990 OE2 GLU A 74 -1.674 -16.778 5.701 1.00 0.00 O ATOM 0 H GLU A 74 -0.334 -12.707 3.950 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.784 -11.956 6.654 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.040 -14.049 5.349 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.708 -14.003 7.069 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.734 -14.259 6.629 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.444 -14.229 4.901 1.00 0.00 H new ATOM 997 N GLU A 75 2.318 -11.505 5.609 1.00 0.00 N ATOM 998 CA GLU A 75 3.584 -10.802 5.971 1.00 0.00 C ATOM 999 C GLU A 75 3.330 -9.296 6.052 1.00 0.00 C ATOM 1000 O GLU A 75 3.756 -8.626 6.971 1.00 0.00 O ATOM 1001 CB GLU A 75 4.632 -11.073 4.890 1.00 0.00 C ATOM 1002 CG GLU A 75 4.986 -12.571 4.851 1.00 0.00 C ATOM 1003 CD GLU A 75 3.962 -13.341 4.007 1.00 0.00 C ATOM 1004 OE1 GLU A 75 2.996 -12.736 3.575 1.00 0.00 O ATOM 1005 OE2 GLU A 75 4.164 -14.528 3.810 1.00 0.00 O ATOM 0 H GLU A 75 2.326 -11.971 4.702 1.00 0.00 H new ATOM 0 HA GLU A 75 3.938 -11.164 6.936 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.252 -10.757 3.918 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.529 -10.486 5.088 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.984 -12.704 4.434 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.007 -12.973 5.864 1.00 0.00 H new ATOM 1012 N LEU A 76 2.645 -8.761 5.088 1.00 0.00 N ATOM 1013 CA LEU A 76 2.358 -7.301 5.087 1.00 0.00 C ATOM 1014 C LEU A 76 1.447 -6.954 6.267 1.00 0.00 C ATOM 1015 O LEU A 76 1.589 -5.925 6.896 1.00 0.00 O ATOM 1016 CB LEU A 76 1.680 -6.930 3.767 1.00 0.00 C ATOM 1017 CG LEU A 76 1.286 -5.447 3.757 1.00 0.00 C ATOM 1018 CD1 LEU A 76 2.513 -4.565 4.019 1.00 0.00 C ATOM 1019 CD2 LEU A 76 0.692 -5.098 2.389 1.00 0.00 C ATOM 0 H LEU A 76 2.267 -9.275 4.292 1.00 0.00 H new ATOM 0 HA LEU A 76 3.286 -6.739 5.187 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.354 -7.138 2.936 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.794 -7.548 3.622 1.00 0.00 H new ATOM 0 HG LEU A 76 0.552 -5.268 4.542 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.216 -3.516 4.009 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.938 -4.812 4.992 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.258 -4.739 3.243 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.409 -4.045 2.373 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.433 -5.287 1.612 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.189 -5.713 2.207 1.00 0.00 H new ATOM 1031 N ASP A 77 0.503 -7.798 6.563 1.00 0.00 N ATOM 1032 CA ASP A 77 -0.429 -7.519 7.691 1.00 0.00 C ATOM 1033 C ASP A 77 0.361 -7.428 8.999 1.00 0.00 C ATOM 1034 O ASP A 77 0.045 -6.648 9.874 1.00 0.00 O ATOM 1035 CB ASP A 77 -1.446 -8.656 7.782 1.00 0.00 C ATOM 1036 CG ASP A 77 -2.395 -8.409 8.954 1.00 0.00 C ATOM 1037 OD1 ASP A 77 -3.064 -7.388 8.946 1.00 0.00 O ATOM 1038 OD2 ASP A 77 -2.436 -9.245 9.841 1.00 0.00 O ATOM 0 H ASP A 77 0.334 -8.675 6.070 1.00 0.00 H new ATOM 0 HA ASP A 77 -0.945 -6.574 7.521 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -2.011 -8.726 6.853 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -0.931 -9.607 7.914 1.00 0.00 H new ATOM 1043 N LYS A 78 1.381 -8.225 9.144 1.00 0.00 N ATOM 1044 CA LYS A 78 2.185 -8.188 10.399 1.00 0.00 C ATOM 1045 C LYS A 78 2.965 -6.873 10.489 1.00 0.00 C ATOM 1046 O LYS A 78 3.477 -6.519 11.530 1.00 0.00 O ATOM 1047 CB LYS A 78 3.164 -9.362 10.398 1.00 0.00 C ATOM 1048 CG LYS A 78 2.395 -10.671 10.603 1.00 0.00 C ATOM 1049 CD LYS A 78 3.369 -11.850 10.568 1.00 0.00 C ATOM 1050 CE LYS A 78 2.597 -13.154 10.777 1.00 0.00 C ATOM 1051 NZ LYS A 78 3.542 -14.305 10.747 1.00 0.00 N ATOM 0 H LYS A 78 1.694 -8.902 8.448 1.00 0.00 H new ATOM 0 HA LYS A 78 1.517 -8.260 11.257 1.00 0.00 H new ATOM 0 HB2 LYS A 78 3.710 -9.393 9.455 1.00 0.00 H new ATOM 0 HB3 LYS A 78 3.902 -9.234 11.190 1.00 0.00 H new ATOM 0 HG2 LYS A 78 1.869 -10.650 11.557 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.640 -10.787 9.825 1.00 0.00 H new ATOM 0 HD2 LYS A 78 3.893 -11.874 9.613 1.00 0.00 H new ATOM 0 HD3 LYS A 78 4.125 -11.734 11.344 1.00 0.00 H new ATOM 0 HE2 LYS A 78 2.070 -13.128 11.731 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.842 -13.270 9.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 3.015 -15.190 10.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 4.025 -14.334 9.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 4.246 -14.196 11.504 1.00 0.00 H new ATOM 1065 N MET A 79 3.059 -6.139 9.416 1.00 0.00 N ATOM 1066 CA MET A 79 3.803 -4.847 9.471 1.00 0.00 C ATOM 1067 C MET A 79 2.890 -3.758 10.038 1.00 0.00 C ATOM 1068 O MET A 79 3.322 -2.660 10.322 1.00 0.00 O ATOM 1069 CB MET A 79 4.249 -4.448 8.065 1.00 0.00 C ATOM 1070 CG MET A 79 5.323 -5.415 7.566 1.00 0.00 C ATOM 1071 SD MET A 79 5.865 -4.901 5.916 1.00 0.00 S ATOM 1072 CE MET A 79 6.634 -3.330 6.395 1.00 0.00 C ATOM 0 H MET A 79 2.657 -6.374 8.509 1.00 0.00 H new ATOM 0 HA MET A 79 4.678 -4.963 10.110 1.00 0.00 H new ATOM 0 HB2 MET A 79 3.396 -4.457 7.387 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.639 -3.430 8.073 1.00 0.00 H new ATOM 0 HG2 MET A 79 6.169 -5.424 8.253 1.00 0.00 H new ATOM 0 HG3 MET A 79 4.928 -6.430 7.533 1.00 0.00 H new ATOM 0 HE1 MET A 79 7.600 -3.232 5.900 1.00 0.00 H new ATOM 0 HE2 MET A 79 5.988 -2.503 6.098 1.00 0.00 H new ATOM 0 HE3 MET A 79 6.777 -3.309 7.475 1.00 0.00 H new ATOM 1082 N PHE A 80 1.629 -4.047 10.193 1.00 0.00 N ATOM 1083 CA PHE A 80 0.698 -3.017 10.730 1.00 0.00 C ATOM 1084 C PHE A 80 0.953 -2.820 12.223 1.00 0.00 C ATOM 1085 O PHE A 80 1.121 -3.765 12.968 1.00 0.00 O ATOM 1086 CB PHE A 80 -0.755 -3.478 10.504 1.00 0.00 C ATOM 1087 CG PHE A 80 -1.202 -3.090 9.110 1.00 0.00 C ATOM 1088 CD1 PHE A 80 -0.503 -3.569 7.998 1.00 0.00 C ATOM 1089 CD2 PHE A 80 -2.310 -2.248 8.930 1.00 0.00 C ATOM 1090 CE1 PHE A 80 -0.907 -3.206 6.708 1.00 0.00 C ATOM 1091 CE2 PHE A 80 -2.713 -1.887 7.639 1.00 0.00 C ATOM 1092 CZ PHE A 80 -2.011 -2.366 6.529 1.00 0.00 C ATOM 0 H PHE A 80 1.204 -4.948 9.972 1.00 0.00 H new ATOM 0 HA PHE A 80 0.863 -2.071 10.214 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.828 -4.558 10.633 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -1.411 -3.023 11.247 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.349 -4.219 8.134 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.852 -1.878 9.788 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.365 -3.575 5.850 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.566 -1.239 7.501 1.00 0.00 H new ATOM 0 HZ PHE A 80 -2.321 -2.087 5.533 1.00 0.00 H new ATOM 1102 N GLN A 81 0.964 -1.589 12.660 1.00 0.00 N ATOM 1103 CA GLN A 81 1.184 -1.290 14.107 1.00 0.00 C ATOM 1104 C GLN A 81 -0.083 -0.668 14.667 1.00 0.00 C ATOM 1105 O GLN A 81 -0.232 -0.520 15.862 1.00 0.00 O ATOM 1106 CB GLN A 81 2.334 -0.299 14.247 1.00 0.00 C ATOM 1107 CG GLN A 81 3.635 -0.991 13.851 1.00 0.00 C ATOM 1108 CD GLN A 81 4.793 0.004 13.924 1.00 0.00 C ATOM 1109 OE1 GLN A 81 5.923 -0.346 13.658 1.00 0.00 O ATOM 1110 NE2 GLN A 81 4.560 1.239 14.279 1.00 0.00 N ATOM 0 H GLN A 81 0.828 -0.768 12.070 1.00 0.00 H new ATOM 0 HA GLN A 81 1.426 -2.205 14.648 1.00 0.00 H new ATOM 0 HB2 GLN A 81 2.161 0.570 13.613 1.00 0.00 H new ATOM 0 HB3 GLN A 81 2.397 0.063 15.273 1.00 0.00 H new ATOM 0 HG2 GLN A 81 3.826 -1.834 14.515 1.00 0.00 H new ATOM 0 HG3 GLN A 81 3.551 -1.392 12.841 1.00 0.00 H new ATOM 0 HE21 GLN A 81 3.610 1.535 14.503 1.00 0.00 H new ATOM 0 HE22 GLN A 81 5.328 1.908 14.332 1.00 0.00 H new ATOM 1119 N GLU A 82 -1.003 -0.297 13.805 1.00 0.00 N ATOM 1120 CA GLU A 82 -2.278 0.324 14.280 1.00 0.00 C ATOM 1121 C GLU A 82 -3.482 -0.431 13.687 1.00 0.00 C ATOM 1122 O GLU A 82 -3.381 -1.010 12.623 1.00 0.00 O ATOM 1123 CB GLU A 82 -2.336 1.783 13.834 1.00 0.00 C ATOM 1124 CG GLU A 82 -1.171 2.546 14.463 1.00 0.00 C ATOM 1125 CD GLU A 82 -1.394 2.660 15.973 1.00 0.00 C ATOM 1126 OE1 GLU A 82 -2.486 3.035 16.365 1.00 0.00 O ATOM 1127 OE2 GLU A 82 -0.468 2.371 16.712 1.00 0.00 O ATOM 0 H GLU A 82 -0.923 -0.399 12.793 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.314 0.269 15.368 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -2.283 1.846 12.747 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.284 2.230 14.134 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -0.232 2.030 14.261 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -1.091 3.539 14.020 1.00 0.00 H new ATOM 1134 N PRO A 83 -4.622 -0.413 14.353 1.00 0.00 N ATOM 1135 CA PRO A 83 -5.858 -1.098 13.847 1.00 0.00 C ATOM 1136 C PRO A 83 -6.307 -0.580 12.470 1.00 0.00 C ATOM 1137 O PRO A 83 -6.052 0.549 12.101 1.00 0.00 O ATOM 1138 CB PRO A 83 -6.931 -0.783 14.912 1.00 0.00 C ATOM 1139 CG PRO A 83 -6.170 -0.399 16.138 1.00 0.00 C ATOM 1140 CD PRO A 83 -4.872 0.241 15.655 1.00 0.00 C ATOM 0 HA PRO A 83 -5.683 -2.165 13.706 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -7.584 0.026 14.585 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -7.566 -1.649 15.099 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -6.743 0.298 16.749 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -5.966 -1.272 16.758 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -4.974 1.321 15.548 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -4.055 0.066 16.355 1.00 0.00 H new ATOM 1148 N ARG A 84 -6.964 -1.409 11.707 1.00 0.00 N ATOM 1149 CA ARG A 84 -7.422 -0.983 10.354 1.00 0.00 C ATOM 1150 C ARG A 84 -8.483 0.111 10.485 1.00 0.00 C ATOM 1151 O ARG A 84 -9.351 0.057 11.333 1.00 0.00 O ATOM 1152 CB ARG A 84 -8.017 -2.194 9.629 1.00 0.00 C ATOM 1153 CG ARG A 84 -6.964 -3.308 9.505 1.00 0.00 C ATOM 1154 CD ARG A 84 -6.010 -3.016 8.340 1.00 0.00 C ATOM 1155 NE ARG A 84 -5.033 -4.137 8.204 1.00 0.00 N ATOM 1156 CZ ARG A 84 -5.340 -5.199 7.514 1.00 0.00 C ATOM 1157 NH1 ARG A 84 -6.511 -5.299 6.948 1.00 0.00 N ATOM 1158 NH2 ARG A 84 -4.472 -6.165 7.389 1.00 0.00 N ATOM 0 H ARG A 84 -7.204 -2.367 11.963 1.00 0.00 H new ATOM 0 HA ARG A 84 -6.578 -0.590 9.788 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -8.885 -2.563 10.175 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -8.364 -1.900 8.639 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.400 -3.388 10.434 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.457 -4.267 9.348 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -6.574 -2.897 7.415 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -5.482 -2.078 8.514 1.00 0.00 H new ATOM 0 HE ARG A 84 -4.120 -4.071 8.654 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -7.190 -4.544 7.045 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -6.747 -6.132 6.409 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -3.556 -6.088 7.831 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.710 -6.997 6.850 1.00 0.00 H new ATOM 1172 N LYS A 85 -8.409 1.110 9.645 1.00 0.00 N ATOM 1173 CA LYS A 85 -9.399 2.228 9.703 1.00 0.00 C ATOM 1174 C LYS A 85 -9.677 2.751 8.293 1.00 0.00 C ATOM 1175 O LYS A 85 -8.973 2.447 7.353 1.00 0.00 O ATOM 1176 CB LYS A 85 -8.837 3.363 10.556 1.00 0.00 C ATOM 1177 CG LYS A 85 -8.831 2.947 12.024 1.00 0.00 C ATOM 1178 CD LYS A 85 -8.324 4.113 12.871 1.00 0.00 C ATOM 1179 CE LYS A 85 -8.371 3.728 14.350 1.00 0.00 C ATOM 1180 NZ LYS A 85 -7.462 2.572 14.592 1.00 0.00 N ATOM 0 H LYS A 85 -7.701 1.201 8.916 1.00 0.00 H new ATOM 0 HA LYS A 85 -10.326 1.860 10.142 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.825 3.607 10.233 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -9.439 4.262 10.425 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -9.835 2.662 12.338 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -8.193 2.074 12.165 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.304 4.369 12.583 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -8.936 4.997 12.695 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.071 4.575 14.967 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -9.390 3.469 14.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -8.018 1.755 14.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -6.968 2.328 13.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -6.764 2.826 15.320 1.00 0.00 H new ATOM 1194 N GLY A 86 -10.712 3.531 8.143 1.00 0.00 N ATOM 1195 CA GLY A 86 -11.055 4.077 6.800 1.00 0.00 C ATOM 1196 C GLY A 86 -10.205 5.316 6.501 1.00 0.00 C ATOM 1197 O GLY A 86 -9.552 5.861 7.368 1.00 0.00 O ATOM 0 H GLY A 86 -11.338 3.815 8.897 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -10.886 3.318 6.036 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -12.113 4.335 6.764 1.00 0.00 H new ATOM 1201 N TYR A 87 -10.214 5.759 5.274 1.00 0.00 N ATOM 1202 CA TYR A 87 -9.421 6.964 4.889 1.00 0.00 C ATOM 1203 C TYR A 87 -9.926 8.187 5.673 1.00 0.00 C ATOM 1204 O TYR A 87 -9.160 8.970 6.204 1.00 0.00 O ATOM 1205 CB TYR A 87 -9.598 7.200 3.387 1.00 0.00 C ATOM 1206 CG TYR A 87 -8.873 8.459 2.981 1.00 0.00 C ATOM 1207 CD1 TYR A 87 -7.476 8.493 3.019 1.00 0.00 C ATOM 1208 CD2 TYR A 87 -9.590 9.589 2.564 1.00 0.00 C ATOM 1209 CE1 TYR A 87 -6.792 9.653 2.646 1.00 0.00 C ATOM 1210 CE2 TYR A 87 -8.906 10.751 2.188 1.00 0.00 C ATOM 1211 CZ TYR A 87 -7.506 10.782 2.230 1.00 0.00 C ATOM 1212 OH TYR A 87 -6.829 11.928 1.866 1.00 0.00 O ATOM 0 H TYR A 87 -10.742 5.334 4.512 1.00 0.00 H new ATOM 0 HA TYR A 87 -8.367 6.810 5.120 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -9.210 6.349 2.827 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -10.657 7.285 3.145 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -6.924 7.621 3.337 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -10.669 9.563 2.533 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -5.713 9.678 2.679 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -9.457 11.622 1.866 1.00 0.00 H new ATOM 0 HH TYR A 87 -7.473 12.618 1.602 1.00 0.00 H new ATOM 1222 N ASP A 88 -11.215 8.361 5.745 1.00 0.00 N ATOM 1223 CA ASP A 88 -11.766 9.528 6.488 1.00 0.00 C ATOM 1224 C ASP A 88 -11.543 9.314 7.991 1.00 0.00 C ATOM 1225 O ASP A 88 -11.410 10.252 8.748 1.00 0.00 O ATOM 1226 CB ASP A 88 -13.269 9.656 6.195 1.00 0.00 C ATOM 1227 CG ASP A 88 -13.489 10.381 4.860 1.00 0.00 C ATOM 1228 OD1 ASP A 88 -12.514 10.818 4.269 1.00 0.00 O ATOM 1229 OD2 ASP A 88 -14.631 10.476 4.447 1.00 0.00 O ATOM 0 H ASP A 88 -11.911 7.747 5.322 1.00 0.00 H new ATOM 0 HA ASP A 88 -11.262 10.442 6.173 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -13.726 8.667 6.160 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -13.758 10.204 7.000 1.00 0.00 H new ATOM 1234 N GLU A 89 -11.509 8.082 8.422 1.00 0.00 N ATOM 1235 CA GLU A 89 -11.300 7.798 9.873 1.00 0.00 C ATOM 1236 C GLU A 89 -9.902 8.254 10.298 1.00 0.00 C ATOM 1237 O GLU A 89 -9.727 8.878 11.324 1.00 0.00 O ATOM 1238 CB GLU A 89 -11.428 6.293 10.108 1.00 0.00 C ATOM 1239 CG GLU A 89 -12.887 5.864 9.947 1.00 0.00 C ATOM 1240 CD GLU A 89 -12.997 4.347 10.122 1.00 0.00 C ATOM 1241 OE1 GLU A 89 -11.986 3.729 10.414 1.00 0.00 O ATOM 1242 OE2 GLU A 89 -14.092 3.832 9.968 1.00 0.00 O ATOM 0 H GLU A 89 -11.617 7.257 7.831 1.00 0.00 H new ATOM 0 HA GLU A 89 -12.046 8.335 10.458 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.800 5.751 9.401 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.074 6.041 11.107 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -13.510 6.372 10.684 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -13.256 6.155 8.963 1.00 0.00 H new ATOM 1249 N ILE A 90 -8.906 7.944 9.520 1.00 0.00 N ATOM 1250 CA ILE A 90 -7.521 8.358 9.883 1.00 0.00 C ATOM 1251 C ILE A 90 -7.394 9.881 9.786 1.00 0.00 C ATOM 1252 O ILE A 90 -6.656 10.501 10.526 1.00 0.00 O ATOM 1253 CB ILE A 90 -6.524 7.681 8.937 1.00 0.00 C ATOM 1254 CG1 ILE A 90 -6.911 7.964 7.484 1.00 0.00 C ATOM 1255 CG2 ILE A 90 -6.548 6.170 9.175 1.00 0.00 C ATOM 1256 CD1 ILE A 90 -5.778 7.536 6.550 1.00 0.00 C ATOM 0 H ILE A 90 -8.989 7.422 8.648 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.304 8.054 10.907 1.00 0.00 H new ATOM 0 HB ILE A 90 -5.525 8.073 9.129 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.825 7.427 7.231 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.119 9.026 7.354 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -5.840 5.685 8.504 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -6.271 5.960 10.208 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -7.550 5.787 8.983 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.061 7.741 5.517 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.874 8.093 6.796 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.591 6.469 6.670 1.00 0.00 H new ATOM 1268 N LEU A 91 -8.091 10.487 8.868 1.00 0.00 N ATOM 1269 CA LEU A 91 -7.999 11.968 8.713 1.00 0.00 C ATOM 1270 C LEU A 91 -8.550 12.670 9.958 1.00 0.00 C ATOM 1271 O LEU A 91 -8.012 13.656 10.417 1.00 0.00 O ATOM 1272 CB LEU A 91 -8.809 12.386 7.486 1.00 0.00 C ATOM 1273 CG LEU A 91 -8.017 12.074 6.204 1.00 0.00 C ATOM 1274 CD1 LEU A 91 -8.943 12.236 4.988 1.00 0.00 C ATOM 1275 CD2 LEU A 91 -6.792 13.014 6.072 1.00 0.00 C ATOM 0 H LEU A 91 -8.722 10.022 8.216 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.955 12.254 8.588 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.763 11.858 7.472 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.035 13.451 7.534 1.00 0.00 H new ATOM 0 HG LEU A 91 -7.651 11.049 6.252 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -8.388 12.016 4.076 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -9.783 11.547 5.076 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -9.316 13.260 4.948 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -6.247 12.775 5.159 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -7.130 14.049 6.033 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.136 12.879 6.932 1.00 0.00 H new ATOM 1287 N GLU A 92 -9.634 12.184 10.493 1.00 0.00 N ATOM 1288 CA GLU A 92 -10.235 12.834 11.696 1.00 0.00 C ATOM 1289 C GLU A 92 -9.588 12.270 12.963 1.00 0.00 C ATOM 1290 O GLU A 92 -9.756 12.796 14.045 1.00 0.00 O ATOM 1291 CB GLU A 92 -11.742 12.556 11.703 1.00 0.00 C ATOM 1292 CG GLU A 92 -11.999 11.054 11.860 1.00 0.00 C ATOM 1293 CD GLU A 92 -13.500 10.781 11.755 1.00 0.00 C ATOM 1294 OE1 GLU A 92 -14.018 10.844 10.651 1.00 0.00 O ATOM 1295 OE2 GLU A 92 -14.106 10.513 12.778 1.00 0.00 O ATOM 0 H GLU A 92 -10.133 11.363 10.150 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.062 13.910 11.666 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.217 13.101 12.519 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -12.190 12.915 10.776 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -11.463 10.500 11.090 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.622 10.708 12.822 1.00 0.00 H new ATOM 1302 N HIS A 93 -8.867 11.192 12.837 1.00 0.00 N ATOM 1303 CA HIS A 93 -8.222 10.569 14.030 1.00 0.00 C ATOM 1304 C HIS A 93 -7.575 11.639 14.913 1.00 0.00 C ATOM 1305 O HIS A 93 -6.424 11.982 14.740 1.00 0.00 O ATOM 1306 CB HIS A 93 -7.158 9.576 13.556 1.00 0.00 C ATOM 1307 CG HIS A 93 -6.365 9.080 14.732 1.00 0.00 C ATOM 1308 ND1 HIS A 93 -6.915 8.245 15.690 1.00 0.00 N ATOM 1309 CD2 HIS A 93 -5.067 9.297 15.121 1.00 0.00 C ATOM 1310 CE1 HIS A 93 -5.960 7.993 16.603 1.00 0.00 C ATOM 1311 NE2 HIS A 93 -4.813 8.608 16.304 1.00 0.00 N ATOM 0 H HIS A 93 -8.695 10.711 11.954 1.00 0.00 H new ATOM 0 HA HIS A 93 -8.980 10.052 14.618 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -7.632 8.738 13.045 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -6.496 10.055 12.835 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -4.352 9.909 14.591 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -6.103 7.369 17.473 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -3.939 8.579 16.829 1.00 0.00 H new ATOM 1319 N HIS A 94 -8.307 12.147 15.873 1.00 0.00 N ATOM 1320 CA HIS A 94 -7.752 13.186 16.793 1.00 0.00 C ATOM 1321 C HIS A 94 -6.918 14.200 15.997 1.00 0.00 C ATOM 1322 O HIS A 94 -6.102 14.915 16.539 1.00 0.00 O ATOM 1323 CB HIS A 94 -6.884 12.507 17.859 1.00 0.00 C ATOM 1324 CG HIS A 94 -7.749 11.621 18.722 1.00 0.00 C ATOM 1325 ND1 HIS A 94 -8.007 10.297 18.399 1.00 0.00 N ATOM 1326 CD2 HIS A 94 -8.420 11.856 19.899 1.00 0.00 C ATOM 1327 CE1 HIS A 94 -8.800 9.790 19.363 1.00 0.00 C ATOM 1328 NE2 HIS A 94 -9.083 10.698 20.301 1.00 0.00 N ATOM 0 H HIS A 94 -9.274 11.883 16.060 1.00 0.00 H new ATOM 0 HA HIS A 94 -8.571 13.716 17.280 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -6.101 11.917 17.384 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -6.388 13.259 18.473 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -8.431 12.796 20.431 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -9.163 8.773 19.376 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -9.660 10.571 21.132 1.00 0.00 H new ATOM 1336 N HIS A 95 -7.123 14.260 14.708 1.00 0.00 N ATOM 1337 CA HIS A 95 -6.353 15.220 13.867 1.00 0.00 C ATOM 1338 C HIS A 95 -6.743 16.647 14.246 1.00 0.00 C ATOM 1339 O HIS A 95 -5.915 17.529 14.331 1.00 0.00 O ATOM 1340 CB HIS A 95 -6.691 14.973 12.397 1.00 0.00 C ATOM 1341 CG HIS A 95 -5.912 15.929 11.536 1.00 0.00 C ATOM 1342 ND1 HIS A 95 -4.556 15.774 11.300 1.00 0.00 N ATOM 1343 CD2 HIS A 95 -6.286 17.059 10.851 1.00 0.00 C ATOM 1344 CE1 HIS A 95 -4.164 16.786 10.505 1.00 0.00 C ATOM 1345 NE2 HIS A 95 -5.181 17.599 10.200 1.00 0.00 N ATOM 0 H HIS A 95 -7.793 13.683 14.200 1.00 0.00 H new ATOM 0 HA HIS A 95 -5.284 15.081 14.028 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -6.452 13.945 12.126 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -7.760 15.106 12.231 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -7.286 17.467 10.822 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -3.152 16.925 10.156 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -5.153 18.435 9.616 1.00 0.00 H new ATOM 1353 N HIS A 96 -8.005 16.879 14.469 1.00 0.00 N ATOM 1354 CA HIS A 96 -8.459 18.248 14.840 1.00 0.00 C ATOM 1355 C HIS A 96 -7.792 18.664 16.153 1.00 0.00 C ATOM 1356 O HIS A 96 -7.305 19.767 16.293 1.00 0.00 O ATOM 1357 CB HIS A 96 -9.975 18.237 15.022 1.00 0.00 C ATOM 1358 CG HIS A 96 -10.450 19.624 15.350 1.00 0.00 C ATOM 1359 ND1 HIS A 96 -10.448 20.644 14.412 1.00 0.00 N ATOM 1360 CD2 HIS A 96 -10.942 20.177 16.505 1.00 0.00 C ATOM 1361 CE1 HIS A 96 -10.926 21.749 15.013 1.00 0.00 C ATOM 1362 NE2 HIS A 96 -11.243 21.519 16.291 1.00 0.00 N ATOM 0 H HIS A 96 -8.744 16.178 14.410 1.00 0.00 H new ATOM 0 HA HIS A 96 -8.187 18.954 14.055 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -10.459 17.881 14.112 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -10.251 17.548 15.820 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -11.076 19.651 17.439 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -11.040 22.705 14.523 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -11.624 22.184 16.964 1.00 0.00 H new ATOM 1370 N HIS A 97 -7.769 17.787 17.116 1.00 0.00 N ATOM 1371 CA HIS A 97 -7.134 18.123 18.419 1.00 0.00 C ATOM 1372 C HIS A 97 -5.624 18.296 18.215 1.00 0.00 C ATOM 1373 O HIS A 97 -5.003 19.166 18.790 1.00 0.00 O ATOM 1374 CB HIS A 97 -7.394 16.986 19.409 1.00 0.00 C ATOM 1375 CG HIS A 97 -8.862 16.932 19.738 1.00 0.00 C ATOM 1376 ND1 HIS A 97 -9.545 18.023 20.250 1.00 0.00 N ATOM 1377 CD2 HIS A 97 -9.789 15.922 19.640 1.00 0.00 C ATOM 1378 CE1 HIS A 97 -10.824 17.650 20.438 1.00 0.00 C ATOM 1379 NE2 HIS A 97 -11.027 16.379 20.082 1.00 0.00 N ATOM 0 H HIS A 97 -8.164 16.849 17.056 1.00 0.00 H new ATOM 0 HA HIS A 97 -7.554 19.050 18.810 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -7.071 16.037 18.982 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -6.812 17.141 20.318 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -9.587 14.926 19.276 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -11.593 18.300 20.829 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -11.901 15.856 20.125 1.00 0.00 H new ATOM 1387 N HIS A 98 -5.035 17.467 17.397 1.00 0.00 N ATOM 1388 CA HIS A 98 -3.565 17.567 17.142 1.00 0.00 C ATOM 1389 C HIS A 98 -2.817 17.695 18.471 1.00 0.00 C ATOM 1390 O HIS A 98 -2.256 18.752 18.714 1.00 0.00 O ATOM 1391 CB HIS A 98 -3.280 18.793 16.268 1.00 0.00 C ATOM 1392 CG HIS A 98 -1.801 18.900 16.005 1.00 0.00 C ATOM 1393 ND1 HIS A 98 -1.156 18.108 15.066 1.00 0.00 N ATOM 1394 CD2 HIS A 98 -0.831 19.708 16.542 1.00 0.00 C ATOM 1395 CE1 HIS A 98 0.145 18.456 15.067 1.00 0.00 C ATOM 1396 NE2 HIS A 98 0.397 19.427 15.948 1.00 0.00 N ATOM 1397 OXT HIS A 98 -2.812 16.733 19.221 1.00 0.00 O ATOM 0 H HIS A 98 -5.510 16.720 16.890 1.00 0.00 H new ATOM 0 HA HIS A 98 -3.226 16.668 16.627 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -3.821 18.713 15.325 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -3.637 19.696 16.764 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -0.995 20.450 17.309 1.00 0.00 H new ATOM 0 HE1 HIS A 98 0.893 18.005 14.432 1.00 0.00 H new ATOM 0 HE2 HIS A 98 1.296 19.868 16.144 1.00 0.00 H new TER 1405 HIS A 98