USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 788 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 3 THR OG1 : rot 106:sc= 0.653 USER MOD Set 1.2: A 77 THR OG1 : rot 180:sc= 0.454 USER MOD Set 2.1: A 59 CYS SG : rot 111:sc= 0.203 USER MOD Set 2.2: A 69 TYR OH : rot -117:sc= 0.494 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0.104 USER MOD Single : A 8 LYS NZ :NH3+ -149:sc= -0.13 (180deg=-0.765) USER MOD Single : A 9 LYS NZ :NH3+ 149:sc= -0.2 (180deg=-1.07) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -159:sc= -0.0218 (180deg=-0.25) USER MOD Single : A 20 ASN : amide:sc= -0.0413 X(o=-0.041,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00375) USER MOD Single : A 33 ASN : amide:sc= -0.0483 X(o=-0.048,f=-0.43) USER MOD Single : A 36 THR OG1 : rot -175:sc= -1.03 USER MOD Single : A 38 GLN : amide:sc= -0.273 X(o=-0.27,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot -179:sc= 1.2 USER MOD Single : A 45 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0305) USER MOD Single : A 47 HIS : no HD1:sc= -1.18 K(o=-1.2,f=-2.9) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HD1:sc= -1.73 X(o=-1.7,f=-1.8) USER MOD Single : A 62 LYS NZ :NH3+ -157:sc= -0.0852 (180deg=-0.452) USER MOD Single : A 70 GLN : amide:sc= 0.00566 X(o=0.0057,f=-0.0098) USER MOD Single : A 72 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0065) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 76 ASN : amide:sc= -0.511 K(o=-0.51,f=-2!) USER MOD Single : A 85 SER OG : rot 56:sc= -0.029 USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.126 -5.745 15.211 1.00 0.00 N ATOM 2 CA MET A 1 1.121 -4.931 14.465 1.00 0.00 C ATOM 3 C MET A 1 1.977 -5.805 13.553 1.00 0.00 C ATOM 4 O MET A 1 2.647 -6.730 14.014 1.00 0.00 O ATOM 5 CB MET A 1 2.006 -4.199 15.476 1.00 0.00 C ATOM 6 CG MET A 1 1.278 -3.103 16.238 1.00 0.00 C ATOM 7 SD MET A 1 2.403 -1.876 16.931 1.00 0.00 S ATOM 8 CE MET A 1 1.271 -0.531 17.269 1.00 0.00 C ATOM 0 H1 MET A 1 -0.442 -5.124 15.823 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.499 -6.233 14.537 1.00 0.00 H new ATOM 0 H3 MET A 1 0.621 -6.448 15.795 1.00 0.00 H new ATOM 0 HA MET A 1 0.596 -4.214 13.834 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.405 -4.922 16.188 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.857 -3.763 14.953 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.573 -2.608 15.570 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.694 -3.551 17.042 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.819 0.306 17.702 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.797 -0.212 16.341 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.507 -0.866 17.970 1.00 0.00 H new ATOM 20 N LEU A 2 1.951 -5.505 12.259 1.00 0.00 N ATOM 21 CA LEU A 2 2.724 -6.263 11.283 1.00 0.00 C ATOM 22 C LEU A 2 3.976 -5.497 10.867 1.00 0.00 C ATOM 23 O LEU A 2 3.999 -4.267 10.893 1.00 0.00 O ATOM 24 CB LEU A 2 1.869 -6.570 10.051 1.00 0.00 C ATOM 25 CG LEU A 2 0.415 -6.944 10.346 1.00 0.00 C ATOM 26 CD1 LEU A 2 -0.440 -6.789 9.098 1.00 0.00 C ATOM 27 CD2 LEU A 2 0.330 -8.365 10.881 1.00 0.00 C ATOM 0 H LEU A 2 1.403 -4.742 11.862 1.00 0.00 H new ATOM 0 HA LEU A 2 3.030 -7.200 11.748 1.00 0.00 H new ATOM 0 HB2 LEU A 2 1.878 -5.699 9.396 1.00 0.00 H new ATOM 0 HB3 LEU A 2 2.334 -7.388 9.500 1.00 0.00 H new ATOM 0 HG LEU A 2 0.032 -6.266 11.109 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -1.471 -7.059 9.327 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -0.403 -5.754 8.758 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -0.060 -7.442 8.313 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -0.711 -8.615 11.086 1.00 0.00 H new ATOM 0 HD22 LEU A 2 0.731 -9.057 10.140 1.00 0.00 H new ATOM 0 HD23 LEU A 2 0.909 -8.443 11.801 1.00 0.00 H new ATOM 39 N THR A 3 5.014 -6.233 10.484 1.00 0.00 N ATOM 40 CA THR A 3 6.268 -5.621 10.062 1.00 0.00 C ATOM 41 C THR A 3 6.100 -4.904 8.727 1.00 0.00 C ATOM 42 O THR A 3 5.000 -4.850 8.174 1.00 0.00 O ATOM 43 CB THR A 3 7.369 -6.679 9.950 1.00 0.00 C ATOM 44 OG1 THR A 3 6.981 -7.881 10.593 1.00 0.00 O ATOM 45 CG2 THR A 3 8.684 -6.239 10.555 1.00 0.00 C ATOM 0 H THR A 3 5.012 -7.253 10.457 1.00 0.00 H new ATOM 0 HA THR A 3 6.555 -4.888 10.816 1.00 0.00 H new ATOM 0 HB THR A 3 7.512 -6.833 8.880 1.00 0.00 H new ATOM 0 HG1 THR A 3 6.760 -8.556 9.918 1.00 0.00 H new ATOM 0 HG21 THR A 3 9.421 -7.034 10.442 1.00 0.00 H new ATOM 0 HG22 THR A 3 9.037 -5.342 10.045 1.00 0.00 H new ATOM 0 HG23 THR A 3 8.543 -6.023 11.614 1.00 0.00 H new ATOM 53 N ILE A 4 7.195 -4.353 8.214 1.00 0.00 N ATOM 54 CA ILE A 4 7.168 -3.641 6.947 1.00 0.00 C ATOM 55 C ILE A 4 8.330 -4.063 6.052 1.00 0.00 C ATOM 56 O ILE A 4 9.495 -3.855 6.392 1.00 0.00 O ATOM 57 CB ILE A 4 7.230 -2.117 7.164 1.00 0.00 C ATOM 58 CG1 ILE A 4 6.168 -1.680 8.176 1.00 0.00 C ATOM 59 CG2 ILE A 4 7.042 -1.390 5.843 1.00 0.00 C ATOM 60 CD1 ILE A 4 6.710 -1.500 9.577 1.00 0.00 C ATOM 0 H ILE A 4 8.112 -4.387 8.659 1.00 0.00 H new ATOM 0 HA ILE A 4 6.228 -3.897 6.459 1.00 0.00 H new ATOM 0 HB ILE A 4 8.211 -1.859 7.563 1.00 0.00 H new ATOM 0 HG12 ILE A 4 5.724 -0.742 7.843 1.00 0.00 H new ATOM 0 HG13 ILE A 4 5.369 -2.421 8.196 1.00 0.00 H new ATOM 0 HG21 ILE A 4 7.088 -0.314 6.010 1.00 0.00 H new ATOM 0 HG22 ILE A 4 7.831 -1.684 5.151 1.00 0.00 H new ATOM 0 HG23 ILE A 4 6.072 -1.650 5.419 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.904 -1.190 10.242 1.00 0.00 H new ATOM 0 HD12 ILE A 4 7.129 -2.443 9.929 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.489 -0.737 9.571 1.00 0.00 H new ATOM 72 N GLU A 5 8.004 -4.653 4.907 1.00 0.00 N ATOM 73 CA GLU A 5 9.020 -5.101 3.961 1.00 0.00 C ATOM 74 C GLU A 5 9.001 -4.242 2.703 1.00 0.00 C ATOM 75 O GLU A 5 8.009 -3.575 2.409 1.00 0.00 O ATOM 76 CB GLU A 5 8.798 -6.569 3.596 1.00 0.00 C ATOM 77 CG GLU A 5 9.606 -7.536 4.444 1.00 0.00 C ATOM 78 CD GLU A 5 11.101 -7.352 4.274 1.00 0.00 C ATOM 79 OE1 GLU A 5 11.659 -6.423 4.895 1.00 0.00 O ATOM 80 OE2 GLU A 5 11.713 -8.135 3.519 1.00 0.00 O ATOM 0 H GLU A 5 7.044 -4.832 4.611 1.00 0.00 H new ATOM 0 HA GLU A 5 9.996 -4.999 4.436 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.739 -6.805 3.701 1.00 0.00 H new ATOM 0 HB3 GLU A 5 9.055 -6.717 2.547 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.344 -7.400 5.493 1.00 0.00 H new ATOM 0 HG3 GLU A 5 9.337 -8.558 4.179 1.00 0.00 H new ATOM 87 N THR A 6 10.103 -4.259 1.962 1.00 0.00 N ATOM 88 CA THR A 6 10.211 -3.480 0.735 1.00 0.00 C ATOM 89 C THR A 6 10.727 -4.336 -0.415 1.00 0.00 C ATOM 90 O THR A 6 11.486 -5.283 -0.207 1.00 0.00 O ATOM 91 CB THR A 6 11.135 -2.280 0.947 1.00 0.00 C ATOM 92 OG1 THR A 6 12.474 -2.705 1.124 1.00 0.00 O ATOM 93 CG2 THR A 6 10.757 -1.438 2.146 1.00 0.00 C ATOM 0 H THR A 6 10.934 -4.804 2.190 1.00 0.00 H new ATOM 0 HA THR A 6 9.214 -3.122 0.476 1.00 0.00 H new ATOM 0 HB THR A 6 11.029 -1.671 0.049 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.050 -1.924 1.256 1.00 0.00 H new ATOM 0 HG21 THR A 6 11.453 -0.604 2.239 1.00 0.00 H new ATOM 0 HG22 THR A 6 9.745 -1.054 2.016 1.00 0.00 H new ATOM 0 HG23 THR A 6 10.801 -2.049 3.048 1.00 0.00 H new ATOM 101 N SER A 7 10.309 -3.997 -1.631 1.00 0.00 N ATOM 102 CA SER A 7 10.725 -4.734 -2.817 1.00 0.00 C ATOM 103 C SER A 7 11.743 -3.934 -3.625 1.00 0.00 C ATOM 104 O SER A 7 12.290 -2.942 -3.145 1.00 0.00 O ATOM 105 CB SER A 7 9.512 -5.070 -3.687 1.00 0.00 C ATOM 106 OG SER A 7 9.753 -6.221 -4.475 1.00 0.00 O ATOM 0 H SER A 7 9.682 -3.215 -1.820 1.00 0.00 H new ATOM 0 HA SER A 7 11.196 -5.662 -2.492 1.00 0.00 H new ATOM 0 HB2 SER A 7 8.641 -5.235 -3.053 1.00 0.00 H new ATOM 0 HB3 SER A 7 9.280 -4.224 -4.334 1.00 0.00 H new ATOM 0 HG SER A 7 8.962 -6.416 -5.020 1.00 0.00 H new ATOM 112 N LYS A 8 11.992 -4.373 -4.856 1.00 0.00 N ATOM 113 CA LYS A 8 12.944 -3.697 -5.731 1.00 0.00 C ATOM 114 C LYS A 8 12.294 -2.509 -6.433 1.00 0.00 C ATOM 115 O LYS A 8 12.814 -1.394 -6.396 1.00 0.00 O ATOM 116 CB LYS A 8 13.497 -4.677 -6.768 1.00 0.00 C ATOM 117 CG LYS A 8 14.064 -5.950 -6.162 1.00 0.00 C ATOM 118 CD LYS A 8 14.482 -6.940 -7.236 1.00 0.00 C ATOM 119 CE LYS A 8 13.430 -8.020 -7.438 1.00 0.00 C ATOM 120 NZ LYS A 8 13.215 -8.826 -6.204 1.00 0.00 N ATOM 0 H LYS A 8 11.548 -5.193 -5.269 1.00 0.00 H new ATOM 0 HA LYS A 8 13.764 -3.326 -5.116 1.00 0.00 H new ATOM 0 HB2 LYS A 8 12.703 -4.940 -7.467 1.00 0.00 H new ATOM 0 HB3 LYS A 8 14.277 -4.180 -7.345 1.00 0.00 H new ATOM 0 HG2 LYS A 8 14.923 -5.705 -5.537 1.00 0.00 H new ATOM 0 HG3 LYS A 8 13.318 -6.409 -5.513 1.00 0.00 H new ATOM 0 HD2 LYS A 8 14.648 -6.412 -8.175 1.00 0.00 H new ATOM 0 HD3 LYS A 8 15.430 -7.401 -6.958 1.00 0.00 H new ATOM 0 HE2 LYS A 8 12.489 -7.558 -7.738 1.00 0.00 H new ATOM 0 HE3 LYS A 8 13.737 -8.677 -8.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 12.947 -9.796 -6.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 14.093 -8.848 -5.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 12.455 -8.397 -5.637 1.00 0.00 H new ATOM 134 N LYS A 9 11.156 -2.757 -7.073 1.00 0.00 N ATOM 135 CA LYS A 9 10.436 -1.708 -7.786 1.00 0.00 C ATOM 136 C LYS A 9 9.815 -0.711 -6.812 1.00 0.00 C ATOM 137 O LYS A 9 9.686 0.473 -7.119 1.00 0.00 O ATOM 138 CB LYS A 9 9.350 -2.319 -8.673 1.00 0.00 C ATOM 139 CG LYS A 9 9.897 -3.107 -9.852 1.00 0.00 C ATOM 140 CD LYS A 9 10.231 -2.197 -11.024 1.00 0.00 C ATOM 141 CE LYS A 9 11.617 -2.491 -11.580 1.00 0.00 C ATOM 142 NZ LYS A 9 11.855 -3.952 -11.736 1.00 0.00 N ATOM 0 H LYS A 9 10.713 -3.675 -7.113 1.00 0.00 H new ATOM 0 HA LYS A 9 11.150 -1.175 -8.413 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.725 -2.975 -8.067 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.707 -1.522 -9.047 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.791 -3.649 -9.545 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.164 -3.851 -10.165 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.487 -2.327 -11.810 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.179 -1.156 -10.704 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.732 -1.999 -12.546 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.371 -2.069 -10.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 12.497 -4.115 -12.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.284 -4.329 -10.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 10.951 -4.434 -11.913 1.00 0.00 H new ATOM 156 N PHE A 10 9.430 -1.201 -5.637 1.00 0.00 N ATOM 157 CA PHE A 10 8.821 -0.353 -4.621 1.00 0.00 C ATOM 158 C PHE A 10 9.770 0.770 -4.209 1.00 0.00 C ATOM 159 O PHE A 10 9.409 1.946 -4.245 1.00 0.00 O ATOM 160 CB PHE A 10 8.434 -1.184 -3.396 1.00 0.00 C ATOM 161 CG PHE A 10 7.765 -0.385 -2.314 1.00 0.00 C ATOM 162 CD1 PHE A 10 6.488 0.121 -2.498 1.00 0.00 C ATOM 163 CD2 PHE A 10 8.415 -0.140 -1.115 1.00 0.00 C ATOM 164 CE1 PHE A 10 5.870 0.856 -1.504 1.00 0.00 C ATOM 165 CE2 PHE A 10 7.802 0.596 -0.118 1.00 0.00 C ATOM 166 CZ PHE A 10 6.529 1.093 -0.311 1.00 0.00 C ATOM 0 H PHE A 10 9.529 -2.179 -5.367 1.00 0.00 H new ATOM 0 HA PHE A 10 7.922 0.092 -5.047 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.767 -1.987 -3.708 1.00 0.00 H new ATOM 0 HB3 PHE A 10 9.329 -1.654 -2.988 1.00 0.00 H new ATOM 0 HD1 PHE A 10 5.970 -0.061 -3.428 1.00 0.00 H new ATOM 0 HD2 PHE A 10 9.411 -0.528 -0.958 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.874 1.245 -1.658 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.319 0.782 0.812 1.00 0.00 H new ATOM 0 HZ PHE A 10 6.048 1.666 0.468 1.00 0.00 H new ATOM 176 N ASP A 11 10.985 0.398 -3.817 1.00 0.00 N ATOM 177 CA ASP A 11 11.984 1.374 -3.400 1.00 0.00 C ATOM 178 C ASP A 11 12.283 2.362 -4.521 1.00 0.00 C ATOM 179 O ASP A 11 12.608 3.523 -4.270 1.00 0.00 O ATOM 180 CB ASP A 11 13.272 0.666 -2.974 1.00 0.00 C ATOM 181 CG ASP A 11 13.942 1.345 -1.793 1.00 0.00 C ATOM 182 OD1 ASP A 11 13.484 1.137 -0.651 1.00 0.00 O ATOM 183 OD2 ASP A 11 14.923 2.085 -2.015 1.00 0.00 O ATOM 0 H ASP A 11 11.300 -0.571 -3.780 1.00 0.00 H new ATOM 0 HA ASP A 11 11.581 1.927 -2.551 1.00 0.00 H new ATOM 0 HB2 ASP A 11 13.046 -0.368 -2.715 1.00 0.00 H new ATOM 0 HB3 ASP A 11 13.964 0.640 -3.815 1.00 0.00 H new ATOM 188 N LYS A 12 12.171 1.894 -5.759 1.00 0.00 N ATOM 189 CA LYS A 12 12.429 2.737 -6.922 1.00 0.00 C ATOM 190 C LYS A 12 11.207 3.587 -7.270 1.00 0.00 C ATOM 191 O LYS A 12 11.324 4.599 -7.961 1.00 0.00 O ATOM 192 CB LYS A 12 12.821 1.877 -8.125 1.00 0.00 C ATOM 193 CG LYS A 12 14.287 1.477 -8.134 1.00 0.00 C ATOM 194 CD LYS A 12 14.483 0.089 -8.723 1.00 0.00 C ATOM 195 CE LYS A 12 15.544 -0.693 -7.967 1.00 0.00 C ATOM 196 NZ LYS A 12 16.365 -1.539 -8.879 1.00 0.00 N ATOM 0 H LYS A 12 11.903 0.936 -5.984 1.00 0.00 H new ATOM 0 HA LYS A 12 13.253 3.405 -6.673 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.207 0.976 -8.133 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.596 2.424 -9.041 1.00 0.00 H new ATOM 0 HG2 LYS A 12 14.860 2.203 -8.712 1.00 0.00 H new ATOM 0 HG3 LYS A 12 14.678 1.500 -7.117 1.00 0.00 H new ATOM 0 HD2 LYS A 12 13.539 -0.456 -8.695 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.771 0.175 -9.771 1.00 0.00 H new ATOM 0 HE2 LYS A 12 16.193 -0.000 -7.432 1.00 0.00 H new ATOM 0 HE3 LYS A 12 15.065 -1.324 -7.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 17.077 -2.056 -8.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 15.749 -2.217 -9.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 16.842 -0.934 -9.578 1.00 0.00 H new ATOM 210 N ASP A 13 10.039 3.169 -6.793 1.00 0.00 N ATOM 211 CA ASP A 13 8.801 3.892 -7.059 1.00 0.00 C ATOM 212 C ASP A 13 8.592 5.018 -6.050 1.00 0.00 C ATOM 213 O ASP A 13 7.952 6.025 -6.354 1.00 0.00 O ATOM 214 CB ASP A 13 7.610 2.931 -7.027 1.00 0.00 C ATOM 215 CG ASP A 13 7.162 2.520 -8.415 1.00 0.00 C ATOM 216 OD1 ASP A 13 7.968 2.645 -9.360 1.00 0.00 O ATOM 217 OD2 ASP A 13 6.005 2.070 -8.555 1.00 0.00 O ATOM 0 H ASP A 13 9.924 2.333 -6.220 1.00 0.00 H new ATOM 0 HA ASP A 13 8.877 4.335 -8.052 1.00 0.00 H new ATOM 0 HB2 ASP A 13 7.879 2.042 -6.457 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.778 3.405 -6.505 1.00 0.00 H new ATOM 222 N LEU A 14 9.129 4.841 -4.847 1.00 0.00 N ATOM 223 CA LEU A 14 8.994 5.842 -3.794 1.00 0.00 C ATOM 224 C LEU A 14 10.018 6.961 -3.963 1.00 0.00 C ATOM 225 O LEU A 14 9.723 8.129 -3.713 1.00 0.00 O ATOM 226 CB LEU A 14 9.155 5.192 -2.419 1.00 0.00 C ATOM 227 CG LEU A 14 7.853 4.713 -1.774 1.00 0.00 C ATOM 228 CD1 LEU A 14 7.482 3.329 -2.283 1.00 0.00 C ATOM 229 CD2 LEU A 14 7.980 4.708 -0.258 1.00 0.00 C ATOM 0 H LEU A 14 9.662 4.014 -4.577 1.00 0.00 H new ATOM 0 HA LEU A 14 7.997 6.276 -3.870 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.831 4.342 -2.513 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.633 5.907 -1.749 1.00 0.00 H new ATOM 0 HG LEU A 14 7.057 5.405 -2.051 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.553 3.005 -1.813 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.349 3.363 -3.364 1.00 0.00 H new ATOM 0 HD13 LEU A 14 8.277 2.626 -2.037 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.045 4.365 0.184 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.788 4.039 0.037 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.198 5.717 0.092 1.00 0.00 H new ATOM 241 N LYS A 15 11.225 6.596 -4.387 1.00 0.00 N ATOM 242 CA LYS A 15 12.293 7.570 -4.584 1.00 0.00 C ATOM 243 C LYS A 15 11.879 8.644 -5.588 1.00 0.00 C ATOM 244 O LYS A 15 12.332 9.787 -5.509 1.00 0.00 O ATOM 245 CB LYS A 15 13.567 6.872 -5.062 1.00 0.00 C ATOM 246 CG LYS A 15 13.439 6.245 -6.442 1.00 0.00 C ATOM 247 CD LYS A 15 14.801 5.943 -7.045 1.00 0.00 C ATOM 248 CE LYS A 15 15.388 4.658 -6.483 1.00 0.00 C ATOM 249 NZ LYS A 15 16.854 4.770 -6.250 1.00 0.00 N ATOM 0 H LYS A 15 11.487 5.634 -4.600 1.00 0.00 H new ATOM 0 HA LYS A 15 12.488 8.053 -3.626 1.00 0.00 H new ATOM 0 HB2 LYS A 15 14.383 7.594 -5.075 1.00 0.00 H new ATOM 0 HB3 LYS A 15 13.838 6.098 -4.344 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.859 5.325 -6.372 1.00 0.00 H new ATOM 0 HG3 LYS A 15 12.890 6.919 -7.100 1.00 0.00 H new ATOM 0 HD2 LYS A 15 14.710 5.859 -8.128 1.00 0.00 H new ATOM 0 HD3 LYS A 15 15.480 6.772 -6.845 1.00 0.00 H new ATOM 0 HE2 LYS A 15 14.890 4.411 -5.545 1.00 0.00 H new ATOM 0 HE3 LYS A 15 15.192 3.838 -7.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 17.214 3.873 -5.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 17.333 4.980 -7.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 17.040 5.536 -5.571 1.00 0.00 H new ATOM 263 N ILE A 16 11.018 8.271 -6.529 1.00 0.00 N ATOM 264 CA ILE A 16 10.549 9.204 -7.547 1.00 0.00 C ATOM 265 C ILE A 16 9.427 10.085 -7.008 1.00 0.00 C ATOM 266 O ILE A 16 9.411 11.295 -7.238 1.00 0.00 O ATOM 267 CB ILE A 16 10.054 8.463 -8.802 1.00 0.00 C ATOM 268 CG1 ILE A 16 11.120 7.482 -9.289 1.00 0.00 C ATOM 269 CG2 ILE A 16 9.696 9.455 -9.900 1.00 0.00 C ATOM 270 CD1 ILE A 16 12.434 8.145 -9.637 1.00 0.00 C ATOM 0 H ILE A 16 10.631 7.330 -6.608 1.00 0.00 H new ATOM 0 HA ILE A 16 11.398 9.831 -7.819 1.00 0.00 H new ATOM 0 HB ILE A 16 9.156 7.901 -8.545 1.00 0.00 H new ATOM 0 HG12 ILE A 16 11.293 6.733 -8.517 1.00 0.00 H new ATOM 0 HG13 ILE A 16 10.744 6.955 -10.166 1.00 0.00 H new ATOM 0 HG21 ILE A 16 9.348 8.914 -10.780 1.00 0.00 H new ATOM 0 HG22 ILE A 16 8.907 10.119 -9.547 1.00 0.00 H new ATOM 0 HG23 ILE A 16 10.576 10.043 -10.160 1.00 0.00 H new ATOM 0 HD11 ILE A 16 13.144 7.390 -9.975 1.00 0.00 H new ATOM 0 HD12 ILE A 16 12.274 8.875 -10.431 1.00 0.00 H new ATOM 0 HD13 ILE A 16 12.832 8.649 -8.756 1.00 0.00 H new ATOM 282 N LEU A 17 8.489 9.474 -6.291 1.00 0.00 N ATOM 283 CA LEU A 17 7.364 10.210 -5.720 1.00 0.00 C ATOM 284 C LEU A 17 7.853 11.344 -4.825 1.00 0.00 C ATOM 285 O LEU A 17 7.165 12.350 -4.649 1.00 0.00 O ATOM 286 CB LEU A 17 6.462 9.263 -4.924 1.00 0.00 C ATOM 287 CG LEU A 17 5.218 8.775 -5.668 1.00 0.00 C ATOM 288 CD1 LEU A 17 4.415 9.954 -6.196 1.00 0.00 C ATOM 289 CD2 LEU A 17 5.608 7.843 -6.804 1.00 0.00 C ATOM 0 H LEU A 17 8.484 8.474 -6.091 1.00 0.00 H new ATOM 0 HA LEU A 17 6.790 10.644 -6.539 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.049 8.396 -4.621 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.146 9.768 -4.011 1.00 0.00 H new ATOM 0 HG LEU A 17 4.593 8.221 -4.968 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.534 9.587 -6.722 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.104 10.585 -5.363 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.031 10.536 -6.881 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.710 7.506 -7.322 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.254 8.373 -7.504 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.140 6.981 -6.401 1.00 0.00 H new ATOM 301 N VAL A 18 9.047 11.177 -4.263 1.00 0.00 N ATOM 302 CA VAL A 18 9.630 12.187 -3.387 1.00 0.00 C ATOM 303 C VAL A 18 9.749 13.531 -4.100 1.00 0.00 C ATOM 304 O VAL A 18 9.257 14.549 -3.614 1.00 0.00 O ATOM 305 CB VAL A 18 11.022 11.763 -2.889 1.00 0.00 C ATOM 306 CG1 VAL A 18 11.523 12.718 -1.817 1.00 0.00 C ATOM 307 CG2 VAL A 18 10.993 10.333 -2.371 1.00 0.00 C ATOM 0 H VAL A 18 9.630 10.351 -4.399 1.00 0.00 H new ATOM 0 HA VAL A 18 8.960 12.287 -2.533 1.00 0.00 H new ATOM 0 HB VAL A 18 11.715 11.805 -3.730 1.00 0.00 H new ATOM 0 HG11 VAL A 18 12.509 12.400 -1.478 1.00 0.00 H new ATOM 0 HG12 VAL A 18 11.588 13.725 -2.229 1.00 0.00 H new ATOM 0 HG13 VAL A 18 10.831 12.714 -0.974 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.987 10.052 -2.023 1.00 0.00 H new ATOM 0 HG22 VAL A 18 10.285 10.259 -1.545 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.686 9.662 -3.173 1.00 0.00 H new ATOM 317 N LYS A 19 10.408 13.524 -5.254 1.00 0.00 N ATOM 318 CA LYS A 19 10.596 14.741 -6.035 1.00 0.00 C ATOM 319 C LYS A 19 9.255 15.358 -6.421 1.00 0.00 C ATOM 320 O LYS A 19 9.147 16.571 -6.595 1.00 0.00 O ATOM 321 CB LYS A 19 11.413 14.442 -7.293 1.00 0.00 C ATOM 322 CG LYS A 19 11.843 15.688 -8.051 1.00 0.00 C ATOM 323 CD LYS A 19 13.284 16.059 -7.740 1.00 0.00 C ATOM 324 CE LYS A 19 13.915 16.843 -8.878 1.00 0.00 C ATOM 325 NZ LYS A 19 14.148 15.991 -10.078 1.00 0.00 N ATOM 0 H LYS A 19 10.821 12.689 -5.669 1.00 0.00 H new ATOM 0 HA LYS A 19 11.138 15.457 -5.417 1.00 0.00 H new ATOM 0 HB2 LYS A 19 12.300 13.873 -7.013 1.00 0.00 H new ATOM 0 HB3 LYS A 19 10.824 13.809 -7.956 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.732 15.520 -9.122 1.00 0.00 H new ATOM 0 HG3 LYS A 19 11.188 16.519 -7.789 1.00 0.00 H new ATOM 0 HD2 LYS A 19 13.319 16.651 -6.826 1.00 0.00 H new ATOM 0 HD3 LYS A 19 13.862 15.154 -7.556 1.00 0.00 H new ATOM 0 HE2 LYS A 19 13.268 17.678 -9.146 1.00 0.00 H new ATOM 0 HE3 LYS A 19 14.862 17.268 -8.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 14.874 16.430 -10.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 14.470 15.049 -9.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 13.263 15.899 -10.616 1.00 0.00 H new ATOM 339 N ASN A 20 8.236 14.515 -6.553 1.00 0.00 N ATOM 340 CA ASN A 20 6.902 14.982 -6.919 1.00 0.00 C ATOM 341 C ASN A 20 6.021 15.142 -5.683 1.00 0.00 C ATOM 342 O ASN A 20 4.811 14.923 -5.738 1.00 0.00 O ATOM 343 CB ASN A 20 6.251 14.006 -7.901 1.00 0.00 C ATOM 344 CG ASN A 20 6.483 14.400 -9.346 1.00 0.00 C ATOM 345 OD1 ASN A 20 5.541 14.516 -10.128 1.00 0.00 O ATOM 346 ND2 ASN A 20 7.744 14.606 -9.708 1.00 0.00 N ATOM 0 H ASN A 20 8.307 13.507 -6.413 1.00 0.00 H new ATOM 0 HA ASN A 20 7.004 15.956 -7.397 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.648 13.005 -7.732 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.179 13.960 -7.707 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.962 14.872 -10.668 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.495 14.498 -9.026 1.00 0.00 H new ATOM 353 N GLY A 21 6.637 15.528 -4.570 1.00 0.00 N ATOM 354 CA GLY A 21 5.892 15.712 -3.339 1.00 0.00 C ATOM 355 C GLY A 21 5.568 14.399 -2.656 1.00 0.00 C ATOM 356 O GLY A 21 4.511 13.813 -2.889 1.00 0.00 O ATOM 0 H GLY A 21 7.637 15.716 -4.499 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.469 16.339 -2.659 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.965 16.244 -3.555 1.00 0.00 H new ATOM 360 N PHE A 22 6.480 13.935 -1.806 1.00 0.00 N ATOM 361 CA PHE A 22 6.287 12.682 -1.085 1.00 0.00 C ATOM 362 C PHE A 22 7.440 12.429 -0.118 1.00 0.00 C ATOM 363 O PHE A 22 8.477 13.090 -0.188 1.00 0.00 O ATOM 364 CB PHE A 22 6.167 11.516 -2.068 1.00 0.00 C ATOM 365 CG PHE A 22 5.563 10.281 -1.464 1.00 0.00 C ATOM 366 CD1 PHE A 22 4.388 10.354 -0.731 1.00 0.00 C ATOM 367 CD2 PHE A 22 6.169 9.046 -1.628 1.00 0.00 C ATOM 368 CE1 PHE A 22 3.830 9.219 -0.174 1.00 0.00 C ATOM 369 CE2 PHE A 22 5.617 7.907 -1.073 1.00 0.00 C ATOM 370 CZ PHE A 22 4.446 7.993 -0.346 1.00 0.00 C ATOM 0 H PHE A 22 7.360 14.408 -1.600 1.00 0.00 H new ATOM 0 HA PHE A 22 5.364 12.761 -0.511 1.00 0.00 H new ATOM 0 HB2 PHE A 22 5.560 11.829 -2.918 1.00 0.00 H new ATOM 0 HB3 PHE A 22 7.157 11.274 -2.455 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.903 11.309 -0.594 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.084 8.972 -2.197 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.914 9.289 0.395 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.101 6.951 -1.208 1.00 0.00 H new ATOM 0 HZ PHE A 22 4.012 7.104 0.088 1.00 0.00 H new ATOM 380 N ASP A 23 7.250 11.471 0.782 1.00 0.00 N ATOM 381 CA ASP A 23 8.274 11.130 1.762 1.00 0.00 C ATOM 382 C ASP A 23 8.083 9.708 2.276 1.00 0.00 C ATOM 383 O ASP A 23 6.994 9.144 2.182 1.00 0.00 O ATOM 384 CB ASP A 23 8.240 12.117 2.931 1.00 0.00 C ATOM 385 CG ASP A 23 9.591 12.263 3.603 1.00 0.00 C ATOM 386 OD1 ASP A 23 9.922 11.418 4.461 1.00 0.00 O ATOM 387 OD2 ASP A 23 10.318 13.223 3.273 1.00 0.00 O ATOM 0 H ASP A 23 6.397 10.917 0.853 1.00 0.00 H new ATOM 0 HA ASP A 23 9.246 11.192 1.272 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.909 13.091 2.571 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.507 11.782 3.665 1.00 0.00 H new ATOM 392 N LEU A 24 9.152 9.133 2.818 1.00 0.00 N ATOM 393 CA LEU A 24 9.103 7.776 3.347 1.00 0.00 C ATOM 394 C LEU A 24 8.674 7.775 4.811 1.00 0.00 C ATOM 395 O LEU A 24 8.060 6.821 5.288 1.00 0.00 O ATOM 396 CB LEU A 24 10.470 7.102 3.204 1.00 0.00 C ATOM 397 CG LEU A 24 10.895 6.800 1.765 1.00 0.00 C ATOM 398 CD1 LEU A 24 11.669 7.972 1.179 1.00 0.00 C ATOM 399 CD2 LEU A 24 11.728 5.528 1.713 1.00 0.00 C ATOM 0 H LEU A 24 10.062 9.586 2.902 1.00 0.00 H new ATOM 0 HA LEU A 24 8.366 7.216 2.772 1.00 0.00 H new ATOM 0 HB2 LEU A 24 11.224 7.742 3.663 1.00 0.00 H new ATOM 0 HB3 LEU A 24 10.459 6.169 3.767 1.00 0.00 H new ATOM 0 HG LEU A 24 9.998 6.649 1.165 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.963 7.739 0.156 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.039 8.862 1.182 1.00 0.00 H new ATOM 0 HD13 LEU A 24 12.560 8.156 1.779 1.00 0.00 H new ATOM 0 HD21 LEU A 24 12.022 5.328 0.683 1.00 0.00 H new ATOM 0 HD22 LEU A 24 12.620 5.652 2.327 1.00 0.00 H new ATOM 0 HD23 LEU A 24 11.140 4.692 2.092 1.00 0.00 H new ATOM 411 N LYS A 25 8.999 8.851 5.519 1.00 0.00 N ATOM 412 CA LYS A 25 8.646 8.975 6.929 1.00 0.00 C ATOM 413 C LYS A 25 7.131 8.999 7.111 1.00 0.00 C ATOM 414 O LYS A 25 6.592 8.325 7.988 1.00 0.00 O ATOM 415 CB LYS A 25 9.262 10.244 7.520 1.00 0.00 C ATOM 416 CG LYS A 25 9.168 10.315 9.036 1.00 0.00 C ATOM 417 CD LYS A 25 9.267 11.749 9.534 1.00 0.00 C ATOM 418 CE LYS A 25 7.896 12.328 9.851 1.00 0.00 C ATOM 419 NZ LYS A 25 7.631 13.578 9.088 1.00 0.00 N ATOM 0 H LYS A 25 9.507 9.650 5.140 1.00 0.00 H new ATOM 0 HA LYS A 25 9.043 8.107 7.455 1.00 0.00 H new ATOM 0 HB2 LYS A 25 10.310 10.300 7.226 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.763 11.114 7.092 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.224 9.879 9.364 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.966 9.719 9.479 1.00 0.00 H new ATOM 0 HD2 LYS A 25 9.892 11.782 10.426 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.757 12.364 8.779 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.128 11.591 9.618 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.827 12.533 10.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.687 13.940 9.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.349 14.291 9.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.671 13.377 8.068 1.00 0.00 H new ATOM 433 N LEU A 26 6.452 9.779 6.278 1.00 0.00 N ATOM 434 CA LEU A 26 5.000 9.891 6.347 1.00 0.00 C ATOM 435 C LEU A 26 4.338 8.535 6.125 1.00 0.00 C ATOM 436 O LEU A 26 3.271 8.256 6.672 1.00 0.00 O ATOM 437 CB LEU A 26 4.491 10.897 5.314 1.00 0.00 C ATOM 438 CG LEU A 26 4.918 10.617 3.871 1.00 0.00 C ATOM 439 CD1 LEU A 26 4.023 9.557 3.245 1.00 0.00 C ATOM 440 CD2 LEU A 26 4.887 11.897 3.050 1.00 0.00 C ATOM 0 H LEU A 26 6.884 10.344 5.547 1.00 0.00 H new ATOM 0 HA LEU A 26 4.737 10.245 7.344 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.402 10.919 5.357 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.841 11.891 5.594 1.00 0.00 H new ATOM 0 HG LEU A 26 5.940 10.239 3.881 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.342 9.371 2.219 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.095 8.634 3.820 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.990 9.906 3.246 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.193 11.680 2.027 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.876 12.303 3.048 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.570 12.626 3.486 1.00 0.00 H new ATOM 452 N LEU A 27 4.977 7.695 5.316 1.00 0.00 N ATOM 453 CA LEU A 27 4.449 6.368 5.020 1.00 0.00 C ATOM 454 C LEU A 27 4.677 5.417 6.192 1.00 0.00 C ATOM 455 O LEU A 27 3.910 4.476 6.397 1.00 0.00 O ATOM 456 CB LEU A 27 5.103 5.807 3.756 1.00 0.00 C ATOM 457 CG LEU A 27 4.486 4.508 3.230 1.00 0.00 C ATOM 458 CD1 LEU A 27 4.269 4.588 1.727 1.00 0.00 C ATOM 459 CD2 LEU A 27 5.367 3.318 3.579 1.00 0.00 C ATOM 0 H LEU A 27 5.861 7.910 4.854 1.00 0.00 H new ATOM 0 HA LEU A 27 3.375 6.459 4.855 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.048 6.561 2.971 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.160 5.634 3.958 1.00 0.00 H new ATOM 0 HG LEU A 27 3.517 4.371 3.710 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.830 3.655 1.373 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.596 5.415 1.500 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.225 4.751 1.230 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.912 2.404 3.197 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.351 3.449 3.129 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.470 3.247 4.662 1.00 0.00 H new ATOM 471 N TYR A 28 5.735 5.668 6.956 1.00 0.00 N ATOM 472 CA TYR A 28 6.063 4.833 8.106 1.00 0.00 C ATOM 473 C TYR A 28 4.915 4.817 9.113 1.00 0.00 C ATOM 474 O TYR A 28 4.725 3.837 9.834 1.00 0.00 O ATOM 475 CB TYR A 28 7.344 5.336 8.777 1.00 0.00 C ATOM 476 CG TYR A 28 8.435 4.292 8.858 1.00 0.00 C ATOM 477 CD1 TYR A 28 9.269 4.046 7.776 1.00 0.00 C ATOM 478 CD2 TYR A 28 8.631 3.553 10.019 1.00 0.00 C ATOM 479 CE1 TYR A 28 10.268 3.094 7.847 1.00 0.00 C ATOM 480 CE2 TYR A 28 9.627 2.600 10.098 1.00 0.00 C ATOM 481 CZ TYR A 28 10.442 2.373 9.010 1.00 0.00 C ATOM 482 OH TYR A 28 11.435 1.423 9.083 1.00 0.00 O ATOM 0 H TYR A 28 6.380 6.443 6.800 1.00 0.00 H new ATOM 0 HA TYR A 28 6.223 3.814 7.752 1.00 0.00 H new ATOM 0 HB2 TYR A 28 7.718 6.199 8.226 1.00 0.00 H new ATOM 0 HB3 TYR A 28 7.106 5.680 9.784 1.00 0.00 H new ATOM 0 HD1 TYR A 28 9.135 4.608 6.864 1.00 0.00 H new ATOM 0 HD2 TYR A 28 7.994 3.727 10.873 1.00 0.00 H new ATOM 0 HE1 TYR A 28 10.909 2.915 6.996 1.00 0.00 H new ATOM 0 HE2 TYR A 28 9.767 2.035 11.008 1.00 0.00 H new ATOM 0 HH TYR A 28 11.425 1.007 9.970 1.00 0.00 H new ATOM 492 N LYS A 29 4.157 5.907 9.159 1.00 0.00 N ATOM 493 CA LYS A 29 3.029 6.017 10.077 1.00 0.00 C ATOM 494 C LYS A 29 1.753 5.471 9.445 1.00 0.00 C ATOM 495 O LYS A 29 0.880 4.949 10.138 1.00 0.00 O ATOM 496 CB LYS A 29 2.824 7.475 10.493 1.00 0.00 C ATOM 497 CG LYS A 29 3.556 7.852 11.770 1.00 0.00 C ATOM 498 CD LYS A 29 5.064 7.774 11.593 1.00 0.00 C ATOM 499 CE LYS A 29 5.618 9.042 10.965 1.00 0.00 C ATOM 500 NZ LYS A 29 5.978 10.059 11.992 1.00 0.00 N ATOM 0 H LYS A 29 4.303 6.728 8.571 1.00 0.00 H new ATOM 0 HA LYS A 29 3.255 5.422 10.962 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.161 8.125 9.686 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.758 7.659 10.627 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.275 8.863 12.066 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.249 7.186 12.577 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.537 7.610 12.561 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.314 6.918 10.967 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.499 8.798 10.371 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.879 9.462 10.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.320 10.921 11.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.140 10.286 12.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.726 9.681 12.608 1.00 0.00 H new ATOM 514 N VAL A 30 1.653 5.592 8.124 1.00 0.00 N ATOM 515 CA VAL A 30 0.484 5.109 7.400 1.00 0.00 C ATOM 516 C VAL A 30 0.355 3.593 7.507 1.00 0.00 C ATOM 517 O VAL A 30 -0.734 3.042 7.337 1.00 0.00 O ATOM 518 CB VAL A 30 0.541 5.508 5.913 1.00 0.00 C ATOM 519 CG1 VAL A 30 -0.749 5.122 5.204 1.00 0.00 C ATOM 520 CG2 VAL A 30 0.812 6.998 5.767 1.00 0.00 C ATOM 0 H VAL A 30 2.367 6.020 7.535 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.387 5.575 7.860 1.00 0.00 H new ATOM 0 HB VAL A 30 1.362 4.966 5.444 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.689 5.412 4.155 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.894 4.044 5.274 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.589 5.633 5.674 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.848 7.259 4.709 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.016 7.562 6.253 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.766 7.242 6.234 1.00 0.00 H new ATOM 530 N VAL A 31 1.468 2.922 7.789 1.00 0.00 N ATOM 531 CA VAL A 31 1.475 1.467 7.917 1.00 0.00 C ATOM 532 C VAL A 31 0.373 0.990 8.858 1.00 0.00 C ATOM 533 O VAL A 31 -0.145 -0.117 8.712 1.00 0.00 O ATOM 534 CB VAL A 31 2.832 0.956 8.435 1.00 0.00 C ATOM 535 CG1 VAL A 31 3.933 1.243 7.425 1.00 0.00 C ATOM 536 CG2 VAL A 31 3.160 1.581 9.782 1.00 0.00 C ATOM 0 H VAL A 31 2.377 3.362 7.933 1.00 0.00 H new ATOM 0 HA VAL A 31 1.298 1.062 6.921 1.00 0.00 H new ATOM 0 HB VAL A 31 2.765 -0.124 8.568 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.884 0.875 7.809 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.703 0.743 6.484 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.001 2.318 7.257 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.123 1.208 10.132 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.207 2.665 9.678 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.386 1.319 10.503 1.00 0.00 H new ATOM 546 N GLY A 32 0.019 1.833 9.823 1.00 0.00 N ATOM 547 CA GLY A 32 -1.021 1.478 10.771 1.00 0.00 C ATOM 548 C GLY A 32 -2.396 1.444 10.134 1.00 0.00 C ATOM 549 O GLY A 32 -3.244 0.637 10.515 1.00 0.00 O ATOM 0 H GLY A 32 0.433 2.754 9.965 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.799 0.502 11.201 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.021 2.195 11.592 1.00 0.00 H new ATOM 553 N ASN A 33 -2.618 2.323 9.162 1.00 0.00 N ATOM 554 CA ASN A 33 -3.898 2.393 8.470 1.00 0.00 C ATOM 555 C ASN A 33 -3.941 1.407 7.303 1.00 0.00 C ATOM 556 O ASN A 33 -5.007 0.918 6.932 1.00 0.00 O ATOM 557 CB ASN A 33 -4.152 3.813 7.962 1.00 0.00 C ATOM 558 CG ASN A 33 -4.815 4.688 9.007 1.00 0.00 C ATOM 559 OD1 ASN A 33 -4.604 4.513 10.206 1.00 0.00 O ATOM 560 ND2 ASN A 33 -5.625 5.639 8.554 1.00 0.00 N ATOM 0 H ASN A 33 -1.926 2.998 8.836 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.680 2.124 9.180 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -3.206 4.263 7.661 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -4.782 3.771 7.073 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -6.100 6.259 9.210 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -5.771 5.749 7.551 1.00 0.00 H new ATOM 567 N LEU A 34 -2.776 1.123 6.730 1.00 0.00 N ATOM 568 CA LEU A 34 -2.682 0.196 5.608 1.00 0.00 C ATOM 569 C LEU A 34 -3.118 -1.205 6.024 1.00 0.00 C ATOM 570 O LEU A 34 -3.766 -1.918 5.256 1.00 0.00 O ATOM 571 CB LEU A 34 -1.250 0.157 5.069 1.00 0.00 C ATOM 572 CG LEU A 34 -0.729 1.481 4.503 1.00 0.00 C ATOM 573 CD1 LEU A 34 0.754 1.377 4.187 1.00 0.00 C ATOM 574 CD2 LEU A 34 -1.515 1.877 3.261 1.00 0.00 C ATOM 0 H LEU A 34 -1.884 1.521 7.024 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.349 0.548 4.821 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.586 -0.163 5.872 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.194 -0.601 4.288 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.866 2.256 5.257 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.108 2.327 3.786 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.304 1.140 5.098 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.915 0.589 3.451 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.131 2.820 2.873 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.410 1.102 2.502 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.568 1.993 3.518 1.00 0.00 H new ATOM 586 N ALA A 35 -2.756 -1.594 7.241 1.00 0.00 N ATOM 587 CA ALA A 35 -3.108 -2.911 7.759 1.00 0.00 C ATOM 588 C ALA A 35 -4.580 -2.972 8.156 1.00 0.00 C ATOM 589 O ALA A 35 -5.231 -4.005 8.003 1.00 0.00 O ATOM 590 CB ALA A 35 -2.225 -3.264 8.947 1.00 0.00 C ATOM 0 H ALA A 35 -2.219 -1.016 7.888 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.943 -3.641 6.966 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.499 -4.250 9.324 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.181 -3.272 8.635 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.362 -2.524 9.735 1.00 0.00 H new ATOM 596 N THR A 36 -5.098 -1.860 8.665 1.00 0.00 N ATOM 597 CA THR A 36 -6.493 -1.787 9.082 1.00 0.00 C ATOM 598 C THR A 36 -7.410 -1.603 7.878 1.00 0.00 C ATOM 599 O THR A 36 -8.475 -2.215 7.796 1.00 0.00 O ATOM 600 CB THR A 36 -6.695 -0.639 10.071 1.00 0.00 C ATOM 601 OG1 THR A 36 -6.251 0.586 9.515 1.00 0.00 O ATOM 602 CG2 THR A 36 -5.962 -0.841 11.381 1.00 0.00 C ATOM 0 H THR A 36 -4.572 -0.996 8.799 1.00 0.00 H new ATOM 0 HA THR A 36 -6.748 -2.726 9.572 1.00 0.00 H new ATOM 0 HB THR A 36 -7.766 -0.616 10.272 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.315 1.294 10.190 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.148 0.010 12.037 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.318 -1.753 11.860 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.892 -0.925 11.190 1.00 0.00 H new ATOM 610 N GLU A 37 -6.987 -0.756 6.944 1.00 0.00 N ATOM 611 CA GLU A 37 -7.769 -0.491 5.742 1.00 0.00 C ATOM 612 C GLU A 37 -9.156 0.036 6.098 1.00 0.00 C ATOM 613 O GLU A 37 -10.170 -0.585 5.776 1.00 0.00 O ATOM 614 CB GLU A 37 -7.888 -1.761 4.898 1.00 0.00 C ATOM 615 CG GLU A 37 -6.561 -2.464 4.666 1.00 0.00 C ATOM 616 CD GLU A 37 -6.704 -3.717 3.826 1.00 0.00 C ATOM 617 OE1 GLU A 37 -6.638 -3.610 2.583 1.00 0.00 O ATOM 618 OE2 GLU A 37 -6.881 -4.807 4.411 1.00 0.00 O ATOM 0 H GLU A 37 -6.108 -0.242 6.997 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.252 0.274 5.162 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.574 -2.451 5.390 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.328 -1.507 3.934 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.872 -1.778 4.174 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.119 -2.724 5.628 1.00 0.00 H new ATOM 625 N GLN A 38 -9.195 1.184 6.768 1.00 0.00 N ATOM 626 CA GLN A 38 -10.465 1.788 7.170 1.00 0.00 C ATOM 627 C GLN A 38 -10.845 2.951 6.253 1.00 0.00 C ATOM 628 O GLN A 38 -11.934 2.961 5.679 1.00 0.00 O ATOM 629 CB GLN A 38 -10.411 2.264 8.629 1.00 0.00 C ATOM 630 CG GLN A 38 -9.211 1.748 9.409 1.00 0.00 C ATOM 631 CD GLN A 38 -9.378 1.908 10.908 1.00 0.00 C ATOM 632 OE1 GLN A 38 -9.386 3.023 11.428 1.00 0.00 O ATOM 633 NE2 GLN A 38 -9.514 0.789 11.610 1.00 0.00 N ATOM 0 H GLN A 38 -8.368 1.714 7.044 1.00 0.00 H new ATOM 0 HA GLN A 38 -11.232 1.018 7.082 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.398 3.354 8.644 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -11.323 1.949 9.136 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -9.055 0.695 9.175 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -8.317 2.282 9.088 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -9.501 -0.115 11.137 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -9.631 0.833 12.622 1.00 0.00 H new ATOM 642 N PRO A 39 -9.957 3.951 6.098 1.00 0.00 N ATOM 643 CA PRO A 39 -10.221 5.103 5.249 1.00 0.00 C ATOM 644 C PRO A 39 -9.843 4.849 3.793 1.00 0.00 C ATOM 645 O PRO A 39 -10.710 4.612 2.951 1.00 0.00 O ATOM 646 CB PRO A 39 -9.346 6.197 5.863 1.00 0.00 C ATOM 647 CG PRO A 39 -8.243 5.489 6.591 1.00 0.00 C ATOM 648 CD PRO A 39 -8.633 4.035 6.731 1.00 0.00 C ATOM 0 HA PRO A 39 -11.280 5.360 5.217 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.945 6.854 5.091 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.924 6.822 6.544 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.305 5.581 6.044 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.085 5.937 7.572 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -7.914 3.381 6.237 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -8.673 3.733 7.778 1.00 0.00 H new ATOM 656 N LEU A 40 -8.547 4.888 3.501 1.00 0.00 N ATOM 657 CA LEU A 40 -8.055 4.652 2.149 1.00 0.00 C ATOM 658 C LEU A 40 -8.827 5.478 1.122 1.00 0.00 C ATOM 659 O LEU A 40 -8.942 5.091 -0.040 1.00 0.00 O ATOM 660 CB LEU A 40 -8.159 3.165 1.808 1.00 0.00 C ATOM 661 CG LEU A 40 -7.135 2.263 2.504 1.00 0.00 C ATOM 662 CD1 LEU A 40 -5.745 2.485 1.929 1.00 0.00 C ATOM 663 CD2 LEU A 40 -7.136 2.501 4.008 1.00 0.00 C ATOM 0 H LEU A 40 -7.816 5.082 4.186 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.010 4.961 2.112 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.160 2.818 2.067 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.050 3.047 0.730 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.420 1.227 2.323 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.033 1.835 2.437 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.751 2.254 0.864 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.453 3.525 2.073 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.401 1.849 4.480 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.882 3.541 4.212 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.125 2.283 4.410 1.00 0.00 H new ATOM 675 N ALA A 41 -9.355 6.619 1.559 1.00 0.00 N ATOM 676 CA ALA A 41 -10.115 7.498 0.679 1.00 0.00 C ATOM 677 C ALA A 41 -11.366 6.798 0.148 1.00 0.00 C ATOM 678 O ALA A 41 -11.273 5.758 -0.502 1.00 0.00 O ATOM 679 CB ALA A 41 -9.244 7.971 -0.475 1.00 0.00 C ATOM 0 H ALA A 41 -9.269 6.955 2.518 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.433 8.364 1.259 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.825 8.627 -1.124 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -8.385 8.516 -0.083 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.897 7.110 -1.046 1.00 0.00 H new ATOM 685 N PRO A 42 -12.561 7.359 0.417 1.00 0.00 N ATOM 686 CA PRO A 42 -13.826 6.774 -0.042 1.00 0.00 C ATOM 687 C PRO A 42 -13.850 6.553 -1.549 1.00 0.00 C ATOM 688 O PRO A 42 -14.419 5.575 -2.034 1.00 0.00 O ATOM 689 CB PRO A 42 -14.872 7.818 0.361 1.00 0.00 C ATOM 690 CG PRO A 42 -14.246 8.576 1.478 1.00 0.00 C ATOM 691 CD PRO A 42 -12.773 8.601 1.184 1.00 0.00 C ATOM 0 HA PRO A 42 -13.998 5.790 0.393 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -15.117 8.475 -0.474 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -15.801 7.344 0.677 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -14.649 9.587 1.538 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -14.445 8.096 2.436 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -12.492 9.483 0.608 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -12.180 8.616 2.099 1.00 0.00 H new ATOM 699 N LYS A 43 -13.227 7.466 -2.288 1.00 0.00 N ATOM 700 CA LYS A 43 -13.178 7.370 -3.742 1.00 0.00 C ATOM 701 C LYS A 43 -12.288 6.211 -4.180 1.00 0.00 C ATOM 702 O LYS A 43 -12.513 5.603 -5.226 1.00 0.00 O ATOM 703 CB LYS A 43 -12.666 8.679 -4.345 1.00 0.00 C ATOM 704 CG LYS A 43 -11.310 9.108 -3.804 1.00 0.00 C ATOM 705 CD LYS A 43 -11.418 10.367 -2.958 1.00 0.00 C ATOM 706 CE LYS A 43 -11.730 11.587 -3.810 1.00 0.00 C ATOM 707 NZ LYS A 43 -11.883 12.817 -2.984 1.00 0.00 N ATOM 0 H LYS A 43 -12.749 8.281 -1.903 1.00 0.00 H new ATOM 0 HA LYS A 43 -14.190 7.185 -4.103 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -12.598 8.569 -5.427 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -13.392 9.468 -4.150 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.885 8.302 -3.206 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -10.626 9.284 -4.634 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -12.198 10.237 -2.208 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.483 10.527 -2.421 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.932 11.735 -4.538 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -12.647 11.412 -4.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -12.095 13.626 -3.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -12.661 12.686 -2.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.000 12.999 -2.466 1.00 0.00 H new ATOM 721 N TYR A 44 -11.276 5.910 -3.372 1.00 0.00 N ATOM 722 CA TYR A 44 -10.351 4.825 -3.678 1.00 0.00 C ATOM 723 C TYR A 44 -10.553 3.653 -2.722 1.00 0.00 C ATOM 724 O TYR A 44 -9.660 3.307 -1.948 1.00 0.00 O ATOM 725 CB TYR A 44 -8.907 5.323 -3.602 1.00 0.00 C ATOM 726 CG TYR A 44 -8.687 6.643 -4.306 1.00 0.00 C ATOM 727 CD1 TYR A 44 -9.097 6.827 -5.620 1.00 0.00 C ATOM 728 CD2 TYR A 44 -8.069 7.705 -3.655 1.00 0.00 C ATOM 729 CE1 TYR A 44 -8.899 8.033 -6.267 1.00 0.00 C ATOM 730 CE2 TYR A 44 -7.869 8.913 -4.296 1.00 0.00 C ATOM 731 CZ TYR A 44 -8.285 9.071 -5.600 1.00 0.00 C ATOM 732 OH TYR A 44 -8.086 10.272 -6.241 1.00 0.00 O ATOM 0 H TYR A 44 -11.076 6.402 -2.501 1.00 0.00 H new ATOM 0 HA TYR A 44 -10.554 4.480 -4.692 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -8.621 5.426 -2.555 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -8.249 4.573 -4.040 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -9.578 6.015 -6.145 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -7.740 7.584 -2.633 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -9.224 8.161 -7.289 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -7.389 9.729 -3.777 1.00 0.00 H new ATOM 0 HH TYR A 44 -7.627 10.893 -5.637 1.00 0.00 H new ATOM 742 N LYS A 45 -11.734 3.046 -2.785 1.00 0.00 N ATOM 743 CA LYS A 45 -12.057 1.911 -1.927 1.00 0.00 C ATOM 744 C LYS A 45 -11.093 0.756 -2.171 1.00 0.00 C ATOM 745 O LYS A 45 -11.216 0.029 -3.157 1.00 0.00 O ATOM 746 CB LYS A 45 -13.495 1.453 -2.175 1.00 0.00 C ATOM 747 CG LYS A 45 -14.527 2.239 -1.383 1.00 0.00 C ATOM 748 CD LYS A 45 -15.849 1.491 -1.293 1.00 0.00 C ATOM 749 CE LYS A 45 -16.463 1.608 0.092 1.00 0.00 C ATOM 750 NZ LYS A 45 -16.731 3.024 0.463 1.00 0.00 N ATOM 0 H LYS A 45 -12.483 3.321 -3.421 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.959 2.229 -0.889 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.718 1.544 -3.238 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.581 0.397 -1.920 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.148 2.431 -0.379 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.688 3.209 -1.854 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.543 1.887 -2.034 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.690 0.440 -1.534 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -17.394 1.042 0.125 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.792 1.161 0.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -17.271 3.054 1.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.829 3.527 0.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -17.281 3.482 -0.292 1.00 0.00 H new ATOM 764 N ASP A 46 -10.136 0.592 -1.264 1.00 0.00 N ATOM 765 CA ASP A 46 -9.146 -0.477 -1.374 1.00 0.00 C ATOM 766 C ASP A 46 -9.820 -1.830 -1.586 1.00 0.00 C ATOM 767 O ASP A 46 -10.901 -2.086 -1.055 1.00 0.00 O ATOM 768 CB ASP A 46 -8.277 -0.522 -0.116 1.00 0.00 C ATOM 769 CG ASP A 46 -9.097 -0.467 1.158 1.00 0.00 C ATOM 770 OD1 ASP A 46 -9.667 0.603 1.452 1.00 0.00 O ATOM 771 OD2 ASP A 46 -9.169 -1.498 1.861 1.00 0.00 O ATOM 0 H ASP A 46 -10.024 1.186 -0.443 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.518 -0.267 -2.239 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.682 -1.435 -0.122 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.578 0.314 -0.131 1.00 0.00 H new ATOM 776 N HIS A 47 -9.175 -2.693 -2.366 1.00 0.00 N ATOM 777 CA HIS A 47 -9.714 -4.019 -2.645 1.00 0.00 C ATOM 778 C HIS A 47 -8.665 -4.904 -3.315 1.00 0.00 C ATOM 779 O HIS A 47 -7.661 -4.409 -3.829 1.00 0.00 O ATOM 780 CB HIS A 47 -10.954 -3.909 -3.537 1.00 0.00 C ATOM 781 CG HIS A 47 -12.241 -4.081 -2.793 1.00 0.00 C ATOM 782 ND1 HIS A 47 -12.382 -4.935 -1.718 1.00 0.00 N ATOM 783 CD2 HIS A 47 -13.453 -3.501 -2.971 1.00 0.00 C ATOM 784 CE1 HIS A 47 -13.623 -4.874 -1.270 1.00 0.00 C ATOM 785 NE2 HIS A 47 -14.293 -4.013 -2.013 1.00 0.00 N ATOM 0 H HIS A 47 -8.280 -2.498 -2.815 1.00 0.00 H new ATOM 0 HA HIS A 47 -9.996 -4.478 -1.697 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -10.954 -2.935 -4.027 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -10.894 -4.662 -4.323 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -13.710 -2.772 -3.725 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -14.022 -5.434 -0.437 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -15.276 -3.768 -1.895 1.00 0.00 H new ATOM 794 N PRO A 48 -8.883 -6.229 -3.315 1.00 0.00 N ATOM 795 CA PRO A 48 -7.951 -7.183 -3.924 1.00 0.00 C ATOM 796 C PRO A 48 -7.977 -7.127 -5.448 1.00 0.00 C ATOM 797 O PRO A 48 -8.813 -6.443 -6.041 1.00 0.00 O ATOM 798 CB PRO A 48 -8.460 -8.537 -3.431 1.00 0.00 C ATOM 799 CG PRO A 48 -9.913 -8.328 -3.183 1.00 0.00 C ATOM 800 CD PRO A 48 -10.054 -6.902 -2.723 1.00 0.00 C ATOM 0 HA PRO A 48 -6.917 -6.975 -3.650 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -8.293 -9.317 -4.174 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -7.944 -8.847 -2.522 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -10.493 -8.505 -4.089 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -10.283 -9.020 -2.427 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -10.988 -6.460 -3.069 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -10.051 -6.829 -1.635 1.00 0.00 H new ATOM 808 N LEU A 49 -7.057 -7.851 -6.076 1.00 0.00 N ATOM 809 CA LEU A 49 -6.972 -7.887 -7.530 1.00 0.00 C ATOM 810 C LEU A 49 -7.834 -9.011 -8.096 1.00 0.00 C ATOM 811 O LEU A 49 -8.563 -8.818 -9.068 1.00 0.00 O ATOM 812 CB LEU A 49 -5.518 -8.069 -7.970 1.00 0.00 C ATOM 813 CG LEU A 49 -4.772 -6.771 -8.295 1.00 0.00 C ATOM 814 CD1 LEU A 49 -3.883 -6.361 -7.131 1.00 0.00 C ATOM 815 CD2 LEU A 49 -3.950 -6.929 -9.565 1.00 0.00 C ATOM 0 H LEU A 49 -6.359 -8.422 -5.599 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.345 -6.939 -7.917 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.978 -8.593 -7.181 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.498 -8.712 -8.850 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.508 -5.984 -8.459 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.361 -5.437 -7.380 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.495 -6.204 -6.243 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.155 -7.148 -6.935 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.428 -5.996 -9.779 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.223 -7.730 -9.430 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.610 -7.174 -10.397 1.00 0.00 H new ATOM 827 N LYS A 50 -7.741 -10.185 -7.481 1.00 0.00 N ATOM 828 CA LYS A 50 -8.510 -11.346 -7.919 1.00 0.00 C ATOM 829 C LYS A 50 -8.020 -11.845 -9.275 1.00 0.00 C ATOM 830 O LYS A 50 -7.502 -11.073 -10.082 1.00 0.00 O ATOM 831 CB LYS A 50 -10.001 -11.005 -7.992 1.00 0.00 C ATOM 832 CG LYS A 50 -10.892 -12.021 -7.300 1.00 0.00 C ATOM 833 CD LYS A 50 -12.253 -12.116 -7.969 1.00 0.00 C ATOM 834 CE LYS A 50 -13.172 -10.987 -7.529 1.00 0.00 C ATOM 835 NZ LYS A 50 -14.508 -11.072 -8.180 1.00 0.00 N ATOM 0 H LYS A 50 -7.139 -10.359 -6.676 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.365 -12.141 -7.187 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.164 -10.026 -7.542 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.297 -10.928 -9.038 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -10.410 -12.998 -7.314 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.018 -11.743 -6.254 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -12.130 -12.085 -9.052 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.712 -13.075 -7.728 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.293 -11.019 -6.446 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -12.711 -10.029 -7.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -15.104 -10.285 -7.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -14.395 -11.016 -9.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -14.959 -11.975 -7.930 1.00 0.00 H new ATOM 849 N GLY A 51 -8.185 -13.141 -9.518 1.00 0.00 N ATOM 850 CA GLY A 51 -7.753 -13.723 -10.775 1.00 0.00 C ATOM 851 C GLY A 51 -6.572 -14.659 -10.604 1.00 0.00 C ATOM 852 O GLY A 51 -6.745 -15.826 -10.254 1.00 0.00 O ATOM 0 H GLY A 51 -8.611 -13.799 -8.866 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.583 -14.268 -11.224 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.484 -12.926 -11.468 1.00 0.00 H new ATOM 856 N GLY A 52 -5.372 -14.145 -10.849 1.00 0.00 N ATOM 857 CA GLY A 52 -4.177 -14.956 -10.713 1.00 0.00 C ATOM 858 C GLY A 52 -3.364 -14.594 -9.484 1.00 0.00 C ATOM 859 O GLY A 52 -2.160 -14.845 -9.432 1.00 0.00 O ATOM 0 H GLY A 52 -5.206 -13.181 -11.139 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.460 -16.007 -10.661 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.558 -14.836 -11.602 1.00 0.00 H new ATOM 863 N LEU A 53 -4.025 -14.000 -8.493 1.00 0.00 N ATOM 864 CA LEU A 53 -3.357 -13.601 -7.257 1.00 0.00 C ATOM 865 C LEU A 53 -4.342 -12.945 -6.297 1.00 0.00 C ATOM 866 O LEU A 53 -4.876 -11.870 -6.575 1.00 0.00 O ATOM 867 CB LEU A 53 -2.203 -12.642 -7.560 1.00 0.00 C ATOM 868 CG LEU A 53 -2.482 -11.608 -8.652 1.00 0.00 C ATOM 869 CD1 LEU A 53 -3.139 -10.367 -8.062 1.00 0.00 C ATOM 870 CD2 LEU A 53 -1.195 -11.241 -9.377 1.00 0.00 C ATOM 0 H LEU A 53 -5.022 -13.785 -8.522 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.957 -14.497 -6.783 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.940 -12.115 -6.643 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.332 -13.229 -7.852 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.171 -12.047 -9.374 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.329 -9.644 -8.855 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.082 -10.644 -7.590 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.477 -9.924 -7.318 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.411 -10.504 -10.151 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.483 -10.822 -8.666 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.768 -12.133 -9.835 1.00 0.00 H new ATOM 882 N LYS A 54 -4.579 -13.598 -5.163 1.00 0.00 N ATOM 883 CA LYS A 54 -5.502 -13.077 -4.160 1.00 0.00 C ATOM 884 C LYS A 54 -4.747 -12.337 -3.059 1.00 0.00 C ATOM 885 O LYS A 54 -5.206 -11.309 -2.563 1.00 0.00 O ATOM 886 CB LYS A 54 -6.327 -14.215 -3.555 1.00 0.00 C ATOM 887 CG LYS A 54 -5.496 -15.223 -2.777 1.00 0.00 C ATOM 888 CD LYS A 54 -6.131 -16.604 -2.799 1.00 0.00 C ATOM 889 CE LYS A 54 -5.429 -17.526 -3.783 1.00 0.00 C ATOM 890 NZ LYS A 54 -5.923 -17.334 -5.174 1.00 0.00 N ATOM 0 H LYS A 54 -4.145 -14.488 -4.916 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.174 -12.373 -4.651 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.083 -13.792 -2.893 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.857 -14.733 -4.354 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.494 -15.275 -3.202 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.387 -14.888 -1.746 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.092 -17.039 -1.800 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.184 -16.517 -3.068 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.355 -17.341 -3.751 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.584 -18.562 -3.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.419 -17.981 -5.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.943 -17.535 -5.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.753 -16.352 -5.470 1.00 0.00 H new ATOM 904 N ASP A 55 -3.588 -12.869 -2.684 1.00 0.00 N ATOM 905 CA ASP A 55 -2.768 -12.260 -1.644 1.00 0.00 C ATOM 906 C ASP A 55 -2.302 -10.864 -2.055 1.00 0.00 C ATOM 907 O ASP A 55 -1.891 -10.065 -1.214 1.00 0.00 O ATOM 908 CB ASP A 55 -1.559 -13.144 -1.336 1.00 0.00 C ATOM 909 CG ASP A 55 -1.861 -14.192 -0.283 1.00 0.00 C ATOM 910 OD1 ASP A 55 -2.750 -15.036 -0.522 1.00 0.00 O ATOM 911 OD2 ASP A 55 -1.209 -14.167 0.783 1.00 0.00 O ATOM 0 H ASP A 55 -3.196 -13.721 -3.085 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.380 -12.165 -0.747 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.230 -13.637 -2.251 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -0.733 -12.519 -0.996 1.00 0.00 H new ATOM 916 N PHE A 56 -2.365 -10.577 -3.352 1.00 0.00 N ATOM 917 CA PHE A 56 -1.948 -9.280 -3.873 1.00 0.00 C ATOM 918 C PHE A 56 -3.138 -8.330 -3.986 1.00 0.00 C ATOM 919 O PHE A 56 -4.144 -8.650 -4.619 1.00 0.00 O ATOM 920 CB PHE A 56 -1.278 -9.445 -5.239 1.00 0.00 C ATOM 921 CG PHE A 56 0.217 -9.554 -5.164 1.00 0.00 C ATOM 922 CD1 PHE A 56 0.817 -10.601 -4.481 1.00 0.00 C ATOM 923 CD2 PHE A 56 1.025 -8.609 -5.776 1.00 0.00 C ATOM 924 CE1 PHE A 56 2.193 -10.703 -4.410 1.00 0.00 C ATOM 925 CE2 PHE A 56 2.402 -8.705 -5.708 1.00 0.00 C ATOM 926 CZ PHE A 56 2.986 -9.753 -5.024 1.00 0.00 C ATOM 0 H PHE A 56 -2.702 -11.227 -4.062 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.229 -8.851 -3.175 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.675 -10.336 -5.724 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -1.541 -8.595 -5.869 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.201 -11.346 -3.999 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.573 -7.788 -6.312 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.648 -11.524 -3.875 1.00 0.00 H new ATOM 0 HE2 PHE A 56 3.020 -7.962 -6.189 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.062 -9.830 -4.969 1.00 0.00 H new ATOM 936 N ARG A 57 -3.012 -7.162 -3.366 1.00 0.00 N ATOM 937 CA ARG A 57 -4.071 -6.158 -3.386 1.00 0.00 C ATOM 938 C ARG A 57 -3.482 -4.750 -3.417 1.00 0.00 C ATOM 939 O ARG A 57 -2.351 -4.532 -2.984 1.00 0.00 O ATOM 940 CB ARG A 57 -4.978 -6.308 -2.160 1.00 0.00 C ATOM 941 CG ARG A 57 -5.339 -7.750 -1.835 1.00 0.00 C ATOM 942 CD ARG A 57 -4.409 -8.336 -0.784 1.00 0.00 C ATOM 943 NE ARG A 57 -5.115 -8.651 0.455 1.00 0.00 N ATOM 944 CZ ARG A 57 -4.513 -8.824 1.629 1.00 0.00 C ATOM 945 NH1 ARG A 57 -3.194 -8.714 1.730 1.00 0.00 N ATOM 946 NH2 ARG A 57 -5.230 -9.108 2.709 1.00 0.00 N ATOM 0 H ARG A 57 -2.183 -6.886 -2.841 1.00 0.00 H new ATOM 0 HA ARG A 57 -4.662 -6.313 -4.289 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -4.482 -5.864 -1.297 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -5.895 -5.743 -2.327 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.368 -7.797 -1.478 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.289 -8.352 -2.742 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -3.943 -9.240 -1.176 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -3.607 -7.629 -0.575 1.00 0.00 H new ATOM 0 HE ARG A 57 -6.130 -8.744 0.418 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.636 -8.496 0.905 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -2.739 -8.848 2.633 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -6.244 -9.194 2.640 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -4.767 -9.240 3.608 1.00 0.00 H new ATOM 960 N GLU A 58 -4.254 -3.800 -3.935 1.00 0.00 N ATOM 961 CA GLU A 58 -3.804 -2.415 -4.026 1.00 0.00 C ATOM 962 C GLU A 58 -4.750 -1.482 -3.275 1.00 0.00 C ATOM 963 O GLU A 58 -5.929 -1.785 -3.099 1.00 0.00 O ATOM 964 CB GLU A 58 -3.704 -1.986 -5.491 1.00 0.00 C ATOM 965 CG GLU A 58 -3.042 -0.630 -5.686 1.00 0.00 C ATOM 966 CD GLU A 58 -3.152 -0.127 -7.112 1.00 0.00 C ATOM 967 OE1 GLU A 58 -2.466 -0.687 -7.993 1.00 0.00 O ATOM 968 OE2 GLU A 58 -3.924 0.827 -7.346 1.00 0.00 O ATOM 0 H GLU A 58 -5.193 -3.963 -4.298 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.818 -2.349 -3.565 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.141 -2.738 -6.043 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.705 -1.957 -5.921 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.501 0.094 -5.013 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.990 -0.700 -5.410 1.00 0.00 H new ATOM 975 N CYS A 59 -4.221 -0.344 -2.837 1.00 0.00 N ATOM 976 CA CYS A 59 -5.012 0.638 -2.106 1.00 0.00 C ATOM 977 C CYS A 59 -4.556 2.056 -2.433 1.00 0.00 C ATOM 978 O CYS A 59 -3.761 2.266 -3.350 1.00 0.00 O ATOM 979 CB CYS A 59 -4.910 0.392 -0.599 1.00 0.00 C ATOM 980 SG CYS A 59 -5.038 -1.347 -0.119 1.00 0.00 S ATOM 0 H CYS A 59 -3.246 -0.079 -2.976 1.00 0.00 H new ATOM 0 HA CYS A 59 -6.052 0.529 -2.414 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.959 0.786 -0.242 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -5.697 0.954 -0.097 1.00 0.00 H new ATOM 0 HG CYS A 59 -3.887 -1.762 0.320 1.00 0.00 H new ATOM 986 N HIS A 60 -5.060 3.024 -1.677 1.00 0.00 N ATOM 987 CA HIS A 60 -4.703 4.423 -1.886 1.00 0.00 C ATOM 988 C HIS A 60 -4.498 5.137 -0.554 1.00 0.00 C ATOM 989 O HIS A 60 -5.449 5.361 0.195 1.00 0.00 O ATOM 990 CB HIS A 60 -5.788 5.134 -2.696 1.00 0.00 C ATOM 991 CG HIS A 60 -5.696 4.881 -4.169 1.00 0.00 C ATOM 992 ND1 HIS A 60 -5.341 5.854 -5.080 1.00 0.00 N ATOM 993 CD2 HIS A 60 -5.916 3.756 -4.890 1.00 0.00 C ATOM 994 CE1 HIS A 60 -5.347 5.340 -6.296 1.00 0.00 C ATOM 995 NE2 HIS A 60 -5.692 4.069 -6.208 1.00 0.00 N ATOM 0 H HIS A 60 -5.717 2.866 -0.913 1.00 0.00 H new ATOM 0 HA HIS A 60 -3.766 4.453 -2.442 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -6.766 4.811 -2.340 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -5.721 6.207 -2.515 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -6.212 2.793 -4.501 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -5.110 5.869 -7.207 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -5.778 3.423 -6.993 1.00 0.00 H new ATOM 1004 N LEU A 61 -3.251 5.493 -0.264 1.00 0.00 N ATOM 1005 CA LEU A 61 -2.921 6.184 0.979 1.00 0.00 C ATOM 1006 C LEU A 61 -3.169 7.683 0.849 1.00 0.00 C ATOM 1007 O LEU A 61 -3.636 8.328 1.787 1.00 0.00 O ATOM 1008 CB LEU A 61 -1.461 5.927 1.359 1.00 0.00 C ATOM 1009 CG LEU A 61 -0.428 6.483 0.376 1.00 0.00 C ATOM 1010 CD1 LEU A 61 0.026 7.870 0.806 1.00 0.00 C ATOM 1011 CD2 LEU A 61 0.762 5.543 0.264 1.00 0.00 C ATOM 0 H LEU A 61 -2.452 5.315 -0.872 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.567 5.794 1.765 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.275 6.361 2.341 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.310 4.852 1.452 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.896 6.563 -0.605 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.760 8.249 0.095 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.832 8.541 0.834 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.476 7.815 1.797 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.486 5.955 -0.439 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.230 5.430 1.242 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.424 4.569 -0.091 1.00 0.00 H new ATOM 1023 N LYS A 62 -2.855 8.229 -0.322 1.00 0.00 N ATOM 1024 CA LYS A 62 -3.042 9.650 -0.577 1.00 0.00 C ATOM 1025 C LYS A 62 -4.210 9.880 -1.536 1.00 0.00 C ATOM 1026 O LYS A 62 -4.726 8.935 -2.133 1.00 0.00 O ATOM 1027 CB LYS A 62 -1.760 10.257 -1.153 1.00 0.00 C ATOM 1028 CG LYS A 62 -1.038 11.182 -0.187 1.00 0.00 C ATOM 1029 CD LYS A 62 -0.177 12.195 -0.923 1.00 0.00 C ATOM 1030 CE LYS A 62 0.079 13.430 -0.075 1.00 0.00 C ATOM 1031 NZ LYS A 62 -1.162 14.223 0.143 1.00 0.00 N ATOM 0 H LYS A 62 -2.470 7.707 -1.109 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.272 10.140 0.369 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.086 9.452 -1.445 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.005 10.811 -2.059 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.768 11.705 0.432 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.414 10.593 0.485 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.773 11.736 -1.196 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.669 12.486 -1.851 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.491 13.129 0.888 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.828 14.055 -0.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.910 15.207 0.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.744 14.202 -0.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.700 13.815 0.934 1.00 0.00 H new ATOM 1045 N PRO A 63 -4.645 11.143 -1.696 1.00 0.00 N ATOM 1046 CA PRO A 63 -5.759 11.485 -2.586 1.00 0.00 C ATOM 1047 C PRO A 63 -5.417 11.297 -4.062 1.00 0.00 C ATOM 1048 O PRO A 63 -6.291 11.374 -4.925 1.00 0.00 O ATOM 1049 CB PRO A 63 -6.020 12.962 -2.283 1.00 0.00 C ATOM 1050 CG PRO A 63 -4.725 13.477 -1.760 1.00 0.00 C ATOM 1051 CD PRO A 63 -4.090 12.333 -1.023 1.00 0.00 C ATOM 0 HA PRO A 63 -6.621 10.840 -2.415 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -6.327 13.501 -3.179 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -6.818 13.081 -1.550 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.085 13.820 -2.573 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -4.883 14.328 -1.097 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.003 12.364 -1.093 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -4.342 12.349 0.037 1.00 0.00 H new ATOM 1059 N ASP A 64 -4.141 11.049 -4.350 1.00 0.00 N ATOM 1060 CA ASP A 64 -3.696 10.852 -5.725 1.00 0.00 C ATOM 1061 C ASP A 64 -2.485 9.923 -5.779 1.00 0.00 C ATOM 1062 O ASP A 64 -1.479 10.233 -6.419 1.00 0.00 O ATOM 1063 CB ASP A 64 -3.353 12.197 -6.369 1.00 0.00 C ATOM 1064 CG ASP A 64 -3.836 12.289 -7.804 1.00 0.00 C ATOM 1065 OD1 ASP A 64 -4.872 11.669 -8.123 1.00 0.00 O ATOM 1066 OD2 ASP A 64 -3.176 12.982 -8.608 1.00 0.00 O ATOM 0 H ASP A 64 -3.401 10.980 -3.652 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.510 10.388 -6.281 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.801 13.001 -5.785 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.274 12.346 -6.341 1.00 0.00 H new ATOM 1071 N LEU A 65 -2.588 8.783 -5.104 1.00 0.00 N ATOM 1072 CA LEU A 65 -1.499 7.812 -5.078 1.00 0.00 C ATOM 1073 C LEU A 65 -2.008 6.426 -4.698 1.00 0.00 C ATOM 1074 O LEU A 65 -2.866 6.285 -3.826 1.00 0.00 O ATOM 1075 CB LEU A 65 -0.419 8.255 -4.088 1.00 0.00 C ATOM 1076 CG LEU A 65 0.590 9.270 -4.636 1.00 0.00 C ATOM 1077 CD1 LEU A 65 0.313 10.657 -4.073 1.00 0.00 C ATOM 1078 CD2 LEU A 65 2.012 8.838 -4.315 1.00 0.00 C ATOM 0 H LEU A 65 -3.412 8.509 -4.569 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.072 7.760 -6.079 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.905 8.686 -3.213 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.124 7.373 -3.749 1.00 0.00 H new ATOM 0 HG LEU A 65 0.480 9.311 -5.720 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.040 11.364 -4.473 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.692 10.970 -4.356 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.393 10.631 -2.986 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.714 9.571 -4.712 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.135 8.766 -3.234 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.208 7.866 -4.768 1.00 0.00 H new ATOM 1090 N LEU A 66 -1.468 5.403 -5.353 1.00 0.00 N ATOM 1091 CA LEU A 66 -1.859 4.025 -5.080 1.00 0.00 C ATOM 1092 C LEU A 66 -0.814 3.341 -4.208 1.00 0.00 C ATOM 1093 O LEU A 66 0.169 3.961 -3.801 1.00 0.00 O ATOM 1094 CB LEU A 66 -2.047 3.237 -6.387 1.00 0.00 C ATOM 1095 CG LEU A 66 -1.947 4.058 -7.676 1.00 0.00 C ATOM 1096 CD1 LEU A 66 -0.503 4.136 -8.147 1.00 0.00 C ATOM 1097 CD2 LEU A 66 -2.831 3.457 -8.758 1.00 0.00 C ATOM 0 H LEU A 66 -0.757 5.503 -6.078 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.810 4.044 -4.549 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.299 2.445 -6.423 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.023 2.753 -6.361 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.295 5.070 -7.470 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.451 4.723 -9.064 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.106 4.610 -7.377 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.128 3.131 -8.338 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.749 4.052 -9.667 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.512 2.435 -8.963 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.867 3.452 -8.420 1.00 0.00 H new ATOM 1109 N LEU A 67 -1.025 2.060 -3.922 1.00 0.00 N ATOM 1110 CA LEU A 67 -0.089 1.306 -3.097 1.00 0.00 C ATOM 1111 C LEU A 67 -0.408 -0.183 -3.110 1.00 0.00 C ATOM 1112 O LEU A 67 -1.327 -0.638 -2.426 1.00 0.00 O ATOM 1113 CB LEU A 67 -0.106 1.824 -1.657 1.00 0.00 C ATOM 1114 CG LEU A 67 1.196 1.613 -0.880 1.00 0.00 C ATOM 1115 CD1 LEU A 67 1.293 2.595 0.279 1.00 0.00 C ATOM 1116 CD2 LEU A 67 1.296 0.180 -0.379 1.00 0.00 C ATOM 0 H LEU A 67 -1.831 1.526 -4.247 1.00 0.00 H new ATOM 0 HA LEU A 67 0.906 1.447 -3.520 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.334 2.890 -1.673 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.917 1.332 -1.119 1.00 0.00 H new ATOM 0 HG LEU A 67 2.031 1.797 -1.556 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.225 2.429 0.819 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.273 3.615 -0.105 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.451 2.445 0.954 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.228 0.051 0.171 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.454 -0.035 0.279 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.277 -0.504 -1.227 1.00 0.00 H new ATOM 1128 N VAL A 68 0.367 -0.942 -3.875 1.00 0.00 N ATOM 1129 CA VAL A 68 0.180 -2.383 -3.956 1.00 0.00 C ATOM 1130 C VAL A 68 1.018 -3.081 -2.892 1.00 0.00 C ATOM 1131 O VAL A 68 2.226 -2.867 -2.805 1.00 0.00 O ATOM 1132 CB VAL A 68 0.570 -2.928 -5.344 1.00 0.00 C ATOM 1133 CG1 VAL A 68 0.201 -4.399 -5.463 1.00 0.00 C ATOM 1134 CG2 VAL A 68 -0.097 -2.113 -6.443 1.00 0.00 C ATOM 0 H VAL A 68 1.131 -0.582 -4.448 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.878 -2.586 -3.790 1.00 0.00 H new ATOM 0 HB VAL A 68 1.650 -2.838 -5.460 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.484 -4.766 -6.449 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.728 -4.969 -4.698 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.874 -4.517 -5.326 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.189 -2.512 -7.416 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.180 -2.170 -6.332 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.221 -1.073 -6.369 1.00 0.00 H new ATOM 1144 N TYR A 69 0.373 -3.903 -2.072 1.00 0.00 N ATOM 1145 CA TYR A 69 1.073 -4.611 -1.009 1.00 0.00 C ATOM 1146 C TYR A 69 0.485 -6.001 -0.784 1.00 0.00 C ATOM 1147 O TYR A 69 -0.627 -6.295 -1.223 1.00 0.00 O ATOM 1148 CB TYR A 69 1.014 -3.805 0.288 1.00 0.00 C ATOM 1149 CG TYR A 69 -0.390 -3.574 0.798 1.00 0.00 C ATOM 1150 CD1 TYR A 69 -1.137 -4.619 1.327 1.00 0.00 C ATOM 1151 CD2 TYR A 69 -0.968 -2.312 0.751 1.00 0.00 C ATOM 1152 CE1 TYR A 69 -2.422 -4.414 1.794 1.00 0.00 C ATOM 1153 CE2 TYR A 69 -2.253 -2.098 1.217 1.00 0.00 C ATOM 1154 CZ TYR A 69 -2.974 -3.151 1.737 1.00 0.00 C ATOM 1155 OH TYR A 69 -4.252 -2.942 2.203 1.00 0.00 O ATOM 0 H TYR A 69 -0.628 -4.094 -2.123 1.00 0.00 H new ATOM 0 HA TYR A 69 2.112 -4.729 -1.315 1.00 0.00 H new ATOM 0 HB2 TYR A 69 1.588 -4.325 1.055 1.00 0.00 H new ATOM 0 HB3 TYR A 69 1.496 -2.841 0.128 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -0.707 -5.608 1.374 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.405 -1.485 0.344 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -2.990 -5.237 2.201 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -2.689 -1.111 1.173 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.828 -2.657 1.463 1.00 0.00 H new ATOM 1165 N GLN A 70 1.243 -6.848 -0.097 1.00 0.00 N ATOM 1166 CA GLN A 70 0.806 -8.208 0.194 1.00 0.00 C ATOM 1167 C GLN A 70 1.311 -8.657 1.561 1.00 0.00 C ATOM 1168 O GLN A 70 2.518 -8.712 1.800 1.00 0.00 O ATOM 1169 CB GLN A 70 1.302 -9.167 -0.889 1.00 0.00 C ATOM 1170 CG GLN A 70 0.811 -10.595 -0.708 1.00 0.00 C ATOM 1171 CD GLN A 70 1.945 -11.596 -0.605 1.00 0.00 C ATOM 1172 OE1 GLN A 70 1.957 -12.612 -1.301 1.00 0.00 O ATOM 1173 NE2 GLN A 70 2.908 -11.312 0.265 1.00 0.00 N ATOM 0 H GLN A 70 2.166 -6.616 0.270 1.00 0.00 H new ATOM 0 HA GLN A 70 -0.284 -8.221 0.207 1.00 0.00 H new ATOM 0 HB2 GLN A 70 0.978 -8.801 -1.863 1.00 0.00 H new ATOM 0 HB3 GLN A 70 2.392 -9.164 -0.894 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.198 -10.653 0.192 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.170 -10.864 -1.548 1.00 0.00 H new ATOM 0 HE21 GLN A 70 2.857 -10.459 0.821 1.00 0.00 H new ATOM 0 HE22 GLN A 70 3.698 -11.947 0.377 1.00 0.00 H new ATOM 1182 N ILE A 71 0.383 -8.975 2.457 1.00 0.00 N ATOM 1183 CA ILE A 71 0.736 -9.417 3.800 1.00 0.00 C ATOM 1184 C ILE A 71 1.014 -10.920 3.824 1.00 0.00 C ATOM 1185 O ILE A 71 0.393 -11.688 3.089 1.00 0.00 O ATOM 1186 CB ILE A 71 -0.381 -9.081 4.816 1.00 0.00 C ATOM 1187 CG1 ILE A 71 -0.443 -7.571 5.060 1.00 0.00 C ATOM 1188 CG2 ILE A 71 -0.161 -9.817 6.132 1.00 0.00 C ATOM 1189 CD1 ILE A 71 -0.688 -6.760 3.806 1.00 0.00 C ATOM 0 H ILE A 71 -0.620 -8.935 2.277 1.00 0.00 H new ATOM 0 HA ILE A 71 1.641 -8.882 4.088 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.331 -9.410 4.395 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.235 -7.361 5.778 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.493 -7.247 5.514 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.960 -9.563 6.829 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.164 -10.892 5.952 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.798 -9.523 6.557 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.719 -5.700 4.058 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.117 -6.940 3.093 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.639 -7.055 3.362 1.00 0.00 H new ATOM 1201 N LYS A 72 1.947 -11.327 4.677 1.00 0.00 N ATOM 1202 CA LYS A 72 2.306 -12.734 4.804 1.00 0.00 C ATOM 1203 C LYS A 72 1.980 -13.254 6.199 1.00 0.00 C ATOM 1204 O LYS A 72 2.697 -12.974 7.160 1.00 0.00 O ATOM 1205 CB LYS A 72 3.793 -12.934 4.507 1.00 0.00 C ATOM 1206 CG LYS A 72 4.699 -11.976 5.265 1.00 0.00 C ATOM 1207 CD LYS A 72 5.243 -10.879 4.359 1.00 0.00 C ATOM 1208 CE LYS A 72 6.763 -10.845 4.368 1.00 0.00 C ATOM 1209 NZ LYS A 72 7.349 -12.050 3.721 1.00 0.00 N ATOM 0 H LYS A 72 2.469 -10.702 5.291 1.00 0.00 H new ATOM 0 HA LYS A 72 1.720 -13.298 4.079 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.070 -13.958 4.757 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.961 -12.810 3.437 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.145 -11.526 6.089 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.529 -12.530 5.704 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.889 -11.039 3.341 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.855 -9.913 4.684 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.109 -9.950 3.850 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.118 -10.776 5.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.381 -11.942 3.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.124 -12.892 4.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.952 -12.159 2.766 1.00 0.00 H new ATOM 1223 N LYS A 73 0.893 -14.012 6.303 1.00 0.00 N ATOM 1224 CA LYS A 73 0.467 -14.574 7.580 1.00 0.00 C ATOM 1225 C LYS A 73 1.573 -15.420 8.208 1.00 0.00 C ATOM 1226 O LYS A 73 1.580 -15.645 9.419 1.00 0.00 O ATOM 1227 CB LYS A 73 -0.792 -15.421 7.391 1.00 0.00 C ATOM 1228 CG LYS A 73 -2.058 -14.601 7.206 1.00 0.00 C ATOM 1229 CD LYS A 73 -2.774 -14.377 8.527 1.00 0.00 C ATOM 1230 CE LYS A 73 -3.983 -13.471 8.359 1.00 0.00 C ATOM 1231 NZ LYS A 73 -5.235 -14.247 8.145 1.00 0.00 N ATOM 0 H LYS A 73 0.290 -14.252 5.516 1.00 0.00 H new ATOM 0 HA LYS A 73 0.246 -13.746 8.254 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.658 -16.067 6.523 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.915 -16.072 8.257 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.808 -13.639 6.759 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.725 -15.111 6.511 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -3.091 -15.336 8.937 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -2.084 -13.935 9.246 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.092 -12.844 9.244 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.821 -12.803 7.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -6.035 -13.592 8.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -5.142 -14.827 7.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -5.404 -14.866 8.964 1.00 0.00 H new ATOM 1245 N GLN A 74 2.504 -15.890 7.382 1.00 0.00 N ATOM 1246 CA GLN A 74 3.612 -16.713 7.858 1.00 0.00 C ATOM 1247 C GLN A 74 4.268 -16.100 9.093 1.00 0.00 C ATOM 1248 O GLN A 74 4.691 -16.814 10.002 1.00 0.00 O ATOM 1249 CB GLN A 74 4.653 -16.892 6.752 1.00 0.00 C ATOM 1250 CG GLN A 74 5.824 -17.772 7.155 1.00 0.00 C ATOM 1251 CD GLN A 74 5.756 -19.153 6.533 1.00 0.00 C ATOM 1252 OE1 GLN A 74 5.836 -19.304 5.315 1.00 0.00 O ATOM 1253 NE2 GLN A 74 5.606 -20.173 7.371 1.00 0.00 N ATOM 0 H GLN A 74 2.513 -15.714 6.377 1.00 0.00 H new ATOM 0 HA GLN A 74 3.208 -17.687 8.134 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.169 -17.324 5.876 1.00 0.00 H new ATOM 0 HB3 GLN A 74 5.030 -15.913 6.457 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.755 -17.289 6.859 1.00 0.00 H new ATOM 0 HG3 GLN A 74 5.846 -17.867 8.241 1.00 0.00 H new ATOM 0 HE21 GLN A 74 5.544 -20.003 8.375 1.00 0.00 H new ATOM 0 HE22 GLN A 74 5.553 -21.126 7.010 1.00 0.00 H new ATOM 1262 N GLU A 75 4.349 -14.774 9.118 1.00 0.00 N ATOM 1263 CA GLU A 75 4.954 -14.069 10.243 1.00 0.00 C ATOM 1264 C GLU A 75 4.296 -12.708 10.460 1.00 0.00 C ATOM 1265 O GLU A 75 4.879 -11.819 11.079 1.00 0.00 O ATOM 1266 CB GLU A 75 6.455 -13.887 10.010 1.00 0.00 C ATOM 1267 CG GLU A 75 6.800 -13.420 8.605 1.00 0.00 C ATOM 1268 CD GLU A 75 8.287 -13.489 8.318 1.00 0.00 C ATOM 1269 OE1 GLU A 75 9.051 -12.732 8.955 1.00 0.00 O ATOM 1270 OE2 GLU A 75 8.689 -14.297 7.456 1.00 0.00 O ATOM 0 H GLU A 75 4.004 -14.167 8.374 1.00 0.00 H new ATOM 0 HA GLU A 75 4.799 -14.672 11.137 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.841 -13.165 10.729 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.962 -14.832 10.205 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.265 -14.033 7.880 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.455 -12.395 8.472 1.00 0.00 H new ATOM 1277 N ASN A 76 3.076 -12.550 9.950 1.00 0.00 N ATOM 1278 CA ASN A 76 2.339 -11.296 10.093 1.00 0.00 C ATOM 1279 C ASN A 76 3.208 -10.102 9.707 1.00 0.00 C ATOM 1280 O ASN A 76 3.659 -9.345 10.567 1.00 0.00 O ATOM 1281 CB ASN A 76 1.838 -11.138 11.531 1.00 0.00 C ATOM 1282 CG ASN A 76 0.375 -11.509 11.676 1.00 0.00 C ATOM 1283 OD1 ASN A 76 -0.218 -12.109 10.779 1.00 0.00 O ATOM 1284 ND2 ASN A 76 -0.216 -11.154 12.810 1.00 0.00 N ATOM 0 H ASN A 76 2.577 -13.275 9.434 1.00 0.00 H new ATOM 0 HA ASN A 76 1.483 -11.327 9.418 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.436 -11.764 12.193 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.982 -10.106 11.852 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -1.199 -11.377 12.964 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.313 -10.658 13.527 1.00 0.00 H new ATOM 1291 N THR A 77 3.439 -9.938 8.409 1.00 0.00 N ATOM 1292 CA THR A 77 4.255 -8.836 7.911 1.00 0.00 C ATOM 1293 C THR A 77 3.566 -8.131 6.747 1.00 0.00 C ATOM 1294 O THR A 77 2.852 -8.756 5.963 1.00 0.00 O ATOM 1295 CB THR A 77 5.627 -9.353 7.475 1.00 0.00 C ATOM 1296 OG1 THR A 77 6.316 -9.928 8.570 1.00 0.00 O ATOM 1297 CG2 THR A 77 6.515 -8.277 6.887 1.00 0.00 C ATOM 0 H THR A 77 3.073 -10.554 7.683 1.00 0.00 H new ATOM 0 HA THR A 77 4.385 -8.115 8.718 1.00 0.00 H new ATOM 0 HB THR A 77 5.424 -10.094 6.702 1.00 0.00 H new ATOM 0 HG1 THR A 77 7.191 -10.254 8.271 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.472 -8.712 6.599 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.033 -7.847 6.009 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.680 -7.496 7.629 1.00 0.00 H new ATOM 1305 N LEU A 78 3.790 -6.824 6.640 1.00 0.00 N ATOM 1306 CA LEU A 78 3.197 -6.032 5.569 1.00 0.00 C ATOM 1307 C LEU A 78 4.240 -5.689 4.510 1.00 0.00 C ATOM 1308 O LEU A 78 4.937 -4.680 4.613 1.00 0.00 O ATOM 1309 CB LEU A 78 2.585 -4.748 6.136 1.00 0.00 C ATOM 1310 CG LEU A 78 1.241 -4.348 5.526 1.00 0.00 C ATOM 1311 CD1 LEU A 78 0.685 -3.114 6.218 1.00 0.00 C ATOM 1312 CD2 LEU A 78 1.386 -4.102 4.032 1.00 0.00 C ATOM 0 H LEU A 78 4.378 -6.292 7.282 1.00 0.00 H new ATOM 0 HA LEU A 78 2.410 -6.624 5.101 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.457 -4.869 7.212 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.291 -3.931 5.989 1.00 0.00 H new ATOM 0 HG LEU A 78 0.539 -5.169 5.674 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.272 -2.845 5.770 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.543 -3.324 7.278 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.385 -2.286 6.103 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.420 -3.818 3.615 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.104 -3.299 3.863 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.738 -5.012 3.546 1.00 0.00 H new ATOM 1324 N PHE A 79 4.343 -6.539 3.495 1.00 0.00 N ATOM 1325 CA PHE A 79 5.302 -6.333 2.416 1.00 0.00 C ATOM 1326 C PHE A 79 4.683 -5.507 1.289 1.00 0.00 C ATOM 1327 O PHE A 79 3.673 -5.896 0.704 1.00 0.00 O ATOM 1328 CB PHE A 79 5.789 -7.687 1.883 1.00 0.00 C ATOM 1329 CG PHE A 79 6.526 -7.607 0.573 1.00 0.00 C ATOM 1330 CD1 PHE A 79 7.405 -6.567 0.314 1.00 0.00 C ATOM 1331 CD2 PHE A 79 6.337 -8.578 -0.399 1.00 0.00 C ATOM 1332 CE1 PHE A 79 8.080 -6.496 -0.889 1.00 0.00 C ATOM 1333 CE2 PHE A 79 7.010 -8.511 -1.604 1.00 0.00 C ATOM 1334 CZ PHE A 79 7.883 -7.470 -1.850 1.00 0.00 C ATOM 0 H PHE A 79 3.773 -7.379 3.397 1.00 0.00 H new ATOM 0 HA PHE A 79 6.155 -5.780 2.810 1.00 0.00 H new ATOM 0 HB2 PHE A 79 6.442 -8.144 2.627 1.00 0.00 H new ATOM 0 HB3 PHE A 79 4.930 -8.348 1.764 1.00 0.00 H new ATOM 0 HD1 PHE A 79 7.564 -5.804 1.061 1.00 0.00 H new ATOM 0 HD2 PHE A 79 5.656 -9.395 -0.212 1.00 0.00 H new ATOM 0 HE1 PHE A 79 8.761 -5.680 -1.079 1.00 0.00 H new ATOM 0 HE2 PHE A 79 6.853 -9.273 -2.353 1.00 0.00 H new ATOM 0 HZ PHE A 79 8.411 -7.417 -2.791 1.00 0.00 H new ATOM 1344 N LEU A 80 5.298 -4.366 0.993 1.00 0.00 N ATOM 1345 CA LEU A 80 4.808 -3.486 -0.061 1.00 0.00 C ATOM 1346 C LEU A 80 5.174 -4.035 -1.437 1.00 0.00 C ATOM 1347 O LEU A 80 5.859 -5.052 -1.547 1.00 0.00 O ATOM 1348 CB LEU A 80 5.384 -2.076 0.110 1.00 0.00 C ATOM 1349 CG LEU A 80 4.902 -1.317 1.351 1.00 0.00 C ATOM 1350 CD1 LEU A 80 3.392 -1.416 1.491 1.00 0.00 C ATOM 1351 CD2 LEU A 80 5.590 -1.845 2.600 1.00 0.00 C ATOM 0 H LEU A 80 6.136 -4.030 1.468 1.00 0.00 H new ATOM 0 HA LEU A 80 3.722 -3.436 0.016 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.471 -2.148 0.148 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.134 -1.490 -0.774 1.00 0.00 H new ATOM 0 HG LEU A 80 5.164 -0.266 1.231 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.072 -0.870 2.379 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.916 -0.986 0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.103 -2.463 1.585 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.235 -1.294 3.471 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.361 -2.904 2.722 1.00 0.00 H new ATOM 0 HD23 LEU A 80 6.668 -1.716 2.504 1.00 0.00 H new ATOM 1363 N VAL A 81 4.710 -3.359 -2.483 1.00 0.00 N ATOM 1364 CA VAL A 81 4.987 -3.786 -3.850 1.00 0.00 C ATOM 1365 C VAL A 81 5.147 -2.586 -4.780 1.00 0.00 C ATOM 1366 O VAL A 81 6.234 -2.337 -5.306 1.00 0.00 O ATOM 1367 CB VAL A 81 3.867 -4.700 -4.390 1.00 0.00 C ATOM 1368 CG1 VAL A 81 4.178 -5.164 -5.807 1.00 0.00 C ATOM 1369 CG2 VAL A 81 3.659 -5.891 -3.466 1.00 0.00 C ATOM 0 H VAL A 81 4.142 -2.515 -2.411 1.00 0.00 H new ATOM 0 HA VAL A 81 5.921 -4.347 -3.825 1.00 0.00 H new ATOM 0 HB VAL A 81 2.943 -4.123 -4.421 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.373 -5.807 -6.164 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.268 -4.297 -6.462 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.115 -5.720 -5.810 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.866 -6.525 -3.862 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.583 -6.465 -3.399 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.379 -5.537 -2.474 1.00 0.00 H new ATOM 1379 N ARG A 82 4.061 -1.848 -4.982 1.00 0.00 N ATOM 1380 CA ARG A 82 4.084 -0.677 -5.852 1.00 0.00 C ATOM 1381 C ARG A 82 3.625 0.569 -5.102 1.00 0.00 C ATOM 1382 O ARG A 82 3.108 0.481 -3.990 1.00 0.00 O ATOM 1383 CB ARG A 82 3.195 -0.906 -7.074 1.00 0.00 C ATOM 1384 CG ARG A 82 3.745 -1.942 -8.041 1.00 0.00 C ATOM 1385 CD ARG A 82 3.414 -1.590 -9.484 1.00 0.00 C ATOM 1386 NE ARG A 82 4.559 -1.014 -10.182 1.00 0.00 N ATOM 1387 CZ ARG A 82 4.653 -0.928 -11.507 1.00 0.00 C ATOM 1388 NH1 ARG A 82 3.673 -1.379 -12.280 1.00 0.00 N ATOM 1389 NH2 ARG A 82 5.730 -0.390 -12.062 1.00 0.00 N ATOM 0 H ARG A 82 3.154 -2.039 -4.556 1.00 0.00 H new ATOM 0 HA ARG A 82 5.111 -0.522 -6.182 1.00 0.00 H new ATOM 0 HB2 ARG A 82 2.207 -1.222 -6.740 1.00 0.00 H new ATOM 0 HB3 ARG A 82 3.066 0.039 -7.602 1.00 0.00 H new ATOM 0 HG2 ARG A 82 4.826 -2.014 -7.922 1.00 0.00 H new ATOM 0 HG3 ARG A 82 3.332 -2.921 -7.800 1.00 0.00 H new ATOM 0 HD2 ARG A 82 3.082 -2.486 -10.009 1.00 0.00 H new ATOM 0 HD3 ARG A 82 2.584 -0.883 -9.504 1.00 0.00 H new ATOM 0 HE ARG A 82 5.333 -0.656 -9.622 1.00 0.00 H new ATOM 0 HH11 ARG A 82 2.842 -1.794 -11.859 1.00 0.00 H new ATOM 0 HH12 ARG A 82 3.751 -1.310 -13.295 1.00 0.00 H new ATOM 0 HH21 ARG A 82 6.487 -0.042 -11.474 1.00 0.00 H new ATOM 0 HH22 ARG A 82 5.802 -0.324 -13.077 1.00 0.00 H new ATOM 1403 N LEU A 83 3.818 1.730 -5.723 1.00 0.00 N ATOM 1404 CA LEU A 83 3.424 2.995 -5.116 1.00 0.00 C ATOM 1405 C LEU A 83 3.668 4.157 -6.073 1.00 0.00 C ATOM 1406 O LEU A 83 4.722 4.247 -6.701 1.00 0.00 O ATOM 1407 CB LEU A 83 4.195 3.223 -3.815 1.00 0.00 C ATOM 1408 CG LEU A 83 3.697 4.392 -2.963 1.00 0.00 C ATOM 1409 CD1 LEU A 83 3.899 4.099 -1.484 1.00 0.00 C ATOM 1410 CD2 LEU A 83 4.408 5.677 -3.357 1.00 0.00 C ATOM 0 H LEU A 83 4.245 1.819 -6.645 1.00 0.00 H new ATOM 0 HA LEU A 83 2.358 2.946 -4.895 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.147 2.312 -3.218 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.244 3.391 -4.057 1.00 0.00 H new ATOM 0 HG LEU A 83 2.630 4.521 -3.143 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.539 4.942 -0.894 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.344 3.202 -1.212 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.959 3.944 -1.285 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.042 6.499 -2.741 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.481 5.560 -3.206 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.211 5.895 -4.407 1.00 0.00 H new ATOM 1422 N GLY A 84 2.685 5.046 -6.180 1.00 0.00 N ATOM 1423 CA GLY A 84 2.814 6.189 -7.064 1.00 0.00 C ATOM 1424 C GLY A 84 1.505 6.559 -7.732 1.00 0.00 C ATOM 1425 O GLY A 84 0.445 6.494 -7.111 1.00 0.00 O ATOM 0 H GLY A 84 1.803 4.995 -5.671 1.00 0.00 H new ATOM 0 HA2 GLY A 84 3.182 7.043 -6.496 1.00 0.00 H new ATOM 0 HA3 GLY A 84 3.559 5.970 -7.829 1.00 0.00 H new ATOM 1429 N SER A 85 1.580 6.948 -9.000 1.00 0.00 N ATOM 1430 CA SER A 85 0.391 7.331 -9.754 1.00 0.00 C ATOM 1431 C SER A 85 0.398 6.695 -11.140 1.00 0.00 C ATOM 1432 O SER A 85 1.362 6.035 -11.528 1.00 0.00 O ATOM 1433 CB SER A 85 0.309 8.852 -9.876 1.00 0.00 C ATOM 1434 OG SER A 85 -0.452 9.409 -8.819 1.00 0.00 O ATOM 0 H SER A 85 2.451 7.007 -9.528 1.00 0.00 H new ATOM 0 HA SER A 85 -0.485 6.970 -9.214 1.00 0.00 H new ATOM 0 HB2 SER A 85 1.313 9.275 -9.867 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.141 9.119 -10.832 1.00 0.00 H new ATOM 0 HG SER A 85 -0.069 9.134 -7.960 1.00 0.00 H new ATOM 1440 N HIS A 86 -0.684 6.902 -11.885 1.00 0.00 N ATOM 1441 CA HIS A 86 -0.803 6.350 -13.230 1.00 0.00 C ATOM 1442 C HIS A 86 -0.080 7.231 -14.245 1.00 0.00 C ATOM 1443 O HIS A 86 0.459 6.738 -15.235 1.00 0.00 O ATOM 1444 CB HIS A 86 -2.276 6.208 -13.618 1.00 0.00 C ATOM 1445 CG HIS A 86 -2.535 5.095 -14.584 1.00 0.00 C ATOM 1446 ND1 HIS A 86 -2.415 5.242 -15.951 1.00 0.00 N ATOM 1447 CD2 HIS A 86 -2.911 3.811 -14.377 1.00 0.00 C ATOM 1448 CE1 HIS A 86 -2.706 4.096 -16.541 1.00 0.00 C ATOM 1449 NE2 HIS A 86 -3.009 3.212 -15.609 1.00 0.00 N ATOM 0 H HIS A 86 -1.490 7.448 -11.580 1.00 0.00 H new ATOM 0 HA HIS A 86 -0.338 5.364 -13.234 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -2.866 6.041 -12.717 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -2.620 7.145 -14.055 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -3.099 3.345 -13.421 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -2.697 3.914 -17.605 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -3.273 2.241 -15.777 1.00 0.00 H new ATOM 1458 N SER A 87 -0.072 8.534 -13.989 1.00 0.00 N ATOM 1459 CA SER A 87 0.585 9.483 -14.879 1.00 0.00 C ATOM 1460 C SER A 87 2.094 9.479 -14.662 1.00 0.00 C ATOM 1461 O SER A 87 2.866 9.687 -15.597 1.00 0.00 O ATOM 1462 CB SER A 87 0.029 10.892 -14.658 1.00 0.00 C ATOM 1463 OG SER A 87 -1.371 10.927 -14.875 1.00 0.00 O ATOM 0 H SER A 87 -0.513 8.957 -13.172 1.00 0.00 H new ATOM 0 HA SER A 87 0.384 9.178 -15.906 1.00 0.00 H new ATOM 0 HB2 SER A 87 0.251 11.219 -13.642 1.00 0.00 H new ATOM 0 HB3 SER A 87 0.523 11.591 -15.333 1.00 0.00 H new ATOM 0 HG SER A 87 -1.702 11.837 -14.726 1.00 0.00 H new ATOM 1469 N GLU A 88 2.508 9.242 -13.421 1.00 0.00 N ATOM 1470 CA GLU A 88 3.925 9.209 -13.081 1.00 0.00 C ATOM 1471 C GLU A 88 4.598 7.974 -13.672 1.00 0.00 C ATOM 1472 O GLU A 88 5.544 8.084 -14.451 1.00 0.00 O ATOM 1473 CB GLU A 88 4.106 9.229 -11.561 1.00 0.00 C ATOM 1474 CG GLU A 88 4.474 10.599 -11.011 1.00 0.00 C ATOM 1475 CD GLU A 88 3.514 11.075 -9.940 1.00 0.00 C ATOM 1476 OE1 GLU A 88 3.185 10.276 -9.038 1.00 0.00 O ATOM 1477 OE2 GLU A 88 3.090 12.248 -10.002 1.00 0.00 O ATOM 0 H GLU A 88 1.882 9.070 -12.635 1.00 0.00 H new ATOM 0 HA GLU A 88 4.397 10.094 -13.507 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.183 8.893 -11.089 1.00 0.00 H new ATOM 0 HB3 GLU A 88 4.883 8.515 -11.286 1.00 0.00 H new ATOM 0 HG2 GLU A 88 5.482 10.562 -10.599 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.489 11.322 -11.827 1.00 0.00 H new ATOM 1484 N LEU A 89 4.102 6.800 -13.297 1.00 0.00 N ATOM 1485 CA LEU A 89 4.654 5.544 -13.789 1.00 0.00 C ATOM 1486 C LEU A 89 4.480 5.430 -15.302 1.00 0.00 C ATOM 1487 O LEU A 89 5.330 4.870 -15.994 1.00 0.00 O ATOM 1488 CB LEU A 89 3.981 4.359 -13.092 1.00 0.00 C ATOM 1489 CG LEU A 89 4.859 3.622 -12.078 1.00 0.00 C ATOM 1490 CD1 LEU A 89 6.125 3.106 -12.746 1.00 0.00 C ATOM 1491 CD2 LEU A 89 5.203 4.533 -10.911 1.00 0.00 C ATOM 0 H LEU A 89 3.318 6.692 -12.653 1.00 0.00 H new ATOM 0 HA LEU A 89 5.720 5.529 -13.563 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.086 4.717 -12.583 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.654 3.648 -13.851 1.00 0.00 H new ATOM 0 HG LEU A 89 4.301 2.768 -11.694 1.00 0.00 H new ATOM 0 HD11 LEU A 89 6.738 2.585 -12.011 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.858 2.419 -13.549 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.687 3.944 -13.157 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.828 3.993 -10.200 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.743 5.406 -11.278 1.00 0.00 H new ATOM 0 HD23 LEU A 89 4.286 4.854 -10.417 1.00 0.00 H new ATOM 1503 N PHE A 90 3.373 5.965 -15.807 1.00 0.00 N ATOM 1504 CA PHE A 90 3.089 5.924 -17.237 1.00 0.00 C ATOM 1505 C PHE A 90 2.601 7.282 -17.734 1.00 0.00 C ATOM 1506 O PHE A 90 3.221 7.825 -18.671 1.00 0.00 O ATOM 1507 CB PHE A 90 2.042 4.849 -17.539 1.00 0.00 C ATOM 1508 CG PHE A 90 2.636 3.542 -17.982 1.00 0.00 C ATOM 1509 CD1 PHE A 90 3.318 3.449 -19.185 1.00 0.00 C ATOM 1510 CD2 PHE A 90 2.512 2.407 -17.196 1.00 0.00 C ATOM 1511 CE1 PHE A 90 3.865 2.249 -19.596 1.00 0.00 C ATOM 1512 CE2 PHE A 90 3.057 1.205 -17.602 1.00 0.00 C ATOM 1513 CZ PHE A 90 3.735 1.124 -18.804 1.00 0.00 C ATOM 0 H PHE A 90 2.659 6.432 -15.248 1.00 0.00 H new ATOM 0 HA PHE A 90 4.013 5.678 -17.760 1.00 0.00 H new ATOM 0 HB2 PHE A 90 1.438 4.681 -16.648 1.00 0.00 H new ATOM 0 HB3 PHE A 90 1.370 5.215 -18.315 1.00 0.00 H new ATOM 0 HD1 PHE A 90 3.423 4.325 -19.808 1.00 0.00 H new ATOM 0 HD2 PHE A 90 1.983 2.463 -16.256 1.00 0.00 H new ATOM 0 HE1 PHE A 90 4.394 2.190 -20.536 1.00 0.00 H new ATOM 0 HE2 PHE A 90 2.954 0.328 -16.980 1.00 0.00 H new ATOM 0 HZ PHE A 90 4.162 0.185 -19.123 1.00 0.00 H new TER 1523 PHE A 90