USER MOD reduce.3.24.130724 H: found=0, std=0, add=1060, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1058 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 88 HIS : no HE2:sc= -3.36 K(o=-2.9,f=-23!) USER MOD Set 1.2: A 106 TYR OH : rot 180:sc= 0.495 USER MOD Set 2.1: A 35 THR OG1 : rot 32:sc= 1.77 USER MOD Set 2.2: A 82 LYS NZ :NH3+ -105:sc= -0.961! (180deg=-2.62!) USER MOD Set 3.1: A 71 HIS : no HD1:sc= -7.56! C(o=-7.6!,f=-10!) USER MOD Set 3.2: A 73 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 60 SER OG : rot -168:sc= 1.11 USER MOD Set 4.2: A 72 HIS : no HD1:sc= -7.58! C(o=-6.5!,f=-28!) USER MOD Set 5.1: A 1 GLY N :NH3+ -166:sc= 0 (180deg=-0.204) USER MOD Set 5.2: A 3 MET CE :methyl -117:sc= -0.136 (180deg=-0.663) USER MOD Single : A 5 SER OG : rot -115:sc= 1.03 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.108 USER MOD Single : A 9 GLN : amide:sc= -2.93! C(o=-2.9!,f=-7.1!) USER MOD Single : A 12 ASN : amide:sc= -1.92 X(o=-1.9,f=-1.8) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -108:sc= -1.28 (180deg=-3.42!) USER MOD Single : A 20 LYS NZ :NH3+ -169:sc= -0.195 (180deg=-0.439) USER MOD Single : A 21 ASN : amide:sc= -1.48 K(o=-1.5,f=-4.2!) USER MOD Single : A 22 LYS NZ :NH3+ -152:sc= -0.0979 (180deg=-0.587) USER MOD Single : A 26 SER OG : rot 93:sc= 1.25 USER MOD Single : A 29 GLN : amide:sc= -0.697 X(o=-0.7,f=-0.56) USER MOD Single : A 30 CYS SG : rot -31:sc= -0.72 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 154:sc= 0.0668 (180deg=-1.93!) USER MOD Single : A 43 TYR OH : rot 152:sc= 1.2 USER MOD Single : A 48 THR OG1 : rot 180:sc= -2.49! USER MOD Single : A 49 ASN : amide:sc= -4.8! C(o=-4.8!,f=-14!) USER MOD Single : A 51 LYS NZ :NH3+ -157:sc= 0.778 (180deg=-0.11) USER MOD Single : A 53 THR OG1 : rot 20:sc= 0.83 USER MOD Single : A 55 ASN : amide:sc= -0.752! C(o=-0.75!,f=-12!) USER MOD Single : A 61 THR OG1 : rot 0:sc= -1.37! USER MOD Single : A 62 LYS NZ :NH3+ 152:sc= -0.0193 (180deg=-2.11!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -138:sc= 0.827 (180deg=-0.596) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.088 USER MOD Single : A 74 MET CE :methyl -173:sc= -0.253 (180deg=-0.326) USER MOD Single : A 77 HIS : no HE2:sc= -6.19! C(o=-6.2!,f=-11!) USER MOD Single : A 80 SER OG : rot 81:sc= -2.11 USER MOD Single : A 81 LYS NZ :NH3+ -166:sc= -6.11! (180deg=-8.02!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -167:sc= 0.613 (180deg=0.0857) USER MOD Single : A 94 SER OG : rot 160:sc= -1.47! USER MOD Single : A 95 LYS NZ :NH3+ -161:sc= -0.0724 (180deg=-0.507) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 97 ASN : amide:sc= -1.37! C(o=-1.4!,f=-16!) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -2.19! C(o=-2.2!,f=-18!) USER MOD Single : A 104 ASN :FLIP amide:sc= -0.418 F(o=-5.5!,f=-0.42) USER MOD Single : A 105 MET CE :methyl -176:sc= -2.79 (180deg=-2.85) USER MOD Single : A 113 LYS NZ :NH3+ -161:sc= -0.0356 (180deg=-0.393) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 TYR OH : rot 165:sc= -1.02! USER MOD Single : A 119 LYS NZ :NH3+ -176:sc= 0.238 (180deg=0.0635) USER MOD Single : A 121 LYS NZ :NH3+ -137:sc= 1 (180deg=-0.0155!) USER MOD Single : A 123 HIS : no HD1:sc= -0.368 X(o=-0.37,f=-0.013) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 ASN :FLIP amide:sc= -0.659 F(o=-2.1!,f=-0.66) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.983 1.133 21.388 1.00 0.00 N ATOM 2 CA GLY A 1 -5.113 0.083 20.390 1.00 0.00 C ATOM 3 C GLY A 1 -3.938 0.105 19.428 1.00 0.00 C ATOM 4 O GLY A 1 -3.427 -0.944 19.027 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.653 0.959 22.164 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.013 1.138 21.762 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.190 2.054 20.952 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.168 -0.888 20.882 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.044 0.213 19.838 1.00 0.00 H new ATOM 8 N ALA A 2 -3.465 1.304 19.115 1.00 0.00 N ATOM 9 CA ALA A 2 -2.317 1.487 18.222 1.00 0.00 C ATOM 10 C ALA A 2 -1.033 0.918 18.832 1.00 0.00 C ATOM 11 O ALA A 2 0.057 1.463 18.624 1.00 0.00 O ATOM 12 CB ALA A 2 -2.127 2.975 17.892 1.00 0.00 C ATOM 0 H ALA A 2 -3.860 2.176 19.468 1.00 0.00 H new ATOM 0 HA ALA A 2 -2.525 0.939 17.303 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.271 3.094 17.228 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -3.022 3.356 17.401 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.953 3.532 18.812 1.00 0.00 H new ATOM 18 N MET A 3 -1.160 -0.191 19.536 1.00 0.00 N ATOM 19 CA MET A 3 -0.026 -0.865 20.146 1.00 0.00 C ATOM 20 C MET A 3 0.613 -1.785 19.121 1.00 0.00 C ATOM 21 O MET A 3 -0.087 -2.533 18.437 1.00 0.00 O ATOM 22 CB MET A 3 -0.523 -1.687 21.336 1.00 0.00 C ATOM 23 CG MET A 3 -1.049 -0.741 22.421 1.00 0.00 C ATOM 24 SD MET A 3 -1.775 -1.713 23.760 1.00 0.00 S ATOM 25 CE MET A 3 -3.328 -2.125 22.918 1.00 0.00 C ATOM 0 H MET A 3 -2.054 -0.652 19.702 1.00 0.00 H new ATOM 0 HA MET A 3 0.709 -0.135 20.486 1.00 0.00 H new ATOM 0 HB2 MET A 3 -1.312 -2.368 21.018 1.00 0.00 H new ATOM 0 HB3 MET A 3 0.286 -2.300 21.733 1.00 0.00 H new ATOM 0 HG2 MET A 3 -0.238 -0.122 22.804 1.00 0.00 H new ATOM 0 HG3 MET A 3 -1.794 -0.066 22.001 1.00 0.00 H new ATOM 0 HE1 MET A 3 -4.165 -1.690 23.465 1.00 0.00 H new ATOM 0 HE2 MET A 3 -3.310 -1.725 21.904 1.00 0.00 H new ATOM 0 HE3 MET A 3 -3.444 -3.208 22.878 1.00 0.00 H new ATOM 35 N GLY A 4 1.913 -1.653 18.932 1.00 0.00 N ATOM 36 CA GLY A 4 2.593 -2.403 17.893 1.00 0.00 C ATOM 37 C GLY A 4 2.060 -1.963 16.546 1.00 0.00 C ATOM 38 O GLY A 4 1.955 -2.759 15.606 1.00 0.00 O ATOM 0 H GLY A 4 2.515 -1.038 19.480 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.668 -2.233 17.947 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.432 -3.472 18.032 1.00 0.00 H new ATOM 42 N SER A 5 1.650 -0.708 16.478 1.00 0.00 N ATOM 43 CA SER A 5 1.022 -0.149 15.289 1.00 0.00 C ATOM 44 C SER A 5 1.981 -0.063 14.102 1.00 0.00 C ATOM 45 O SER A 5 1.820 0.794 13.240 1.00 0.00 O ATOM 46 CB SER A 5 0.445 1.235 15.615 1.00 0.00 C ATOM 47 OG SER A 5 1.272 1.875 16.585 1.00 0.00 O ATOM 0 H SER A 5 1.743 -0.045 17.247 1.00 0.00 H new ATOM 0 HA SER A 5 0.219 -0.824 14.992 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.390 1.841 14.711 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.572 1.137 15.995 1.00 0.00 H new ATOM 0 HG SER A 5 0.766 2.000 17.415 1.00 0.00 H new ATOM 53 N GLY A 6 2.948 -0.963 14.032 1.00 0.00 N ATOM 54 CA GLY A 6 3.904 -0.941 12.932 1.00 0.00 C ATOM 55 C GLY A 6 3.180 -1.031 11.598 1.00 0.00 C ATOM 56 O GLY A 6 3.346 -0.177 10.735 1.00 0.00 O ATOM 0 H GLY A 6 3.093 -1.709 14.712 1.00 0.00 H new ATOM 0 HA2 GLY A 6 4.493 -0.025 12.972 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.601 -1.773 13.031 1.00 0.00 H new ATOM 60 N ASP A 7 2.281 -1.990 11.486 1.00 0.00 N ATOM 61 CA ASP A 7 1.442 -2.120 10.295 1.00 0.00 C ATOM 62 C ASP A 7 0.426 -1.006 10.267 1.00 0.00 C ATOM 63 O ASP A 7 0.105 -0.456 9.216 1.00 0.00 O ATOM 64 CB ASP A 7 0.680 -3.455 10.337 1.00 0.00 C ATOM 65 CG ASP A 7 -0.167 -3.569 11.617 1.00 0.00 C ATOM 66 OD1 ASP A 7 0.168 -2.936 12.608 1.00 0.00 O ATOM 67 OD2 ASP A 7 -1.125 -4.293 11.598 1.00 0.00 O ATOM 0 H ASP A 7 2.108 -2.695 12.203 1.00 0.00 H new ATOM 0 HA ASP A 7 2.081 -2.077 9.413 1.00 0.00 H new ATOM 0 HB2 ASP A 7 0.035 -3.537 9.462 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.388 -4.283 10.290 1.00 0.00 H new ATOM 72 N THR A 8 -0.141 -0.768 11.414 1.00 0.00 N ATOM 73 CA THR A 8 -1.227 0.158 11.574 1.00 0.00 C ATOM 74 C THR A 8 -0.791 1.570 11.210 1.00 0.00 C ATOM 75 O THR A 8 -1.419 2.232 10.375 1.00 0.00 O ATOM 76 CB THR A 8 -1.686 0.095 13.027 1.00 0.00 C ATOM 77 OG1 THR A 8 -1.791 -1.278 13.421 1.00 0.00 O ATOM 78 CG2 THR A 8 -3.042 0.778 13.187 1.00 0.00 C ATOM 0 H THR A 8 0.144 -1.221 12.283 1.00 0.00 H new ATOM 0 HA THR A 8 -2.047 -0.109 10.908 1.00 0.00 H new ATOM 0 HB THR A 8 -0.961 0.611 13.656 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.084 -1.329 14.355 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.356 0.724 14.230 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.961 1.822 12.886 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.779 0.275 12.560 1.00 0.00 H new ATOM 86 N GLN A 9 0.340 1.992 11.753 1.00 0.00 N ATOM 87 CA GLN A 9 0.871 3.293 11.427 1.00 0.00 C ATOM 88 C GLN A 9 1.229 3.352 9.974 1.00 0.00 C ATOM 89 O GLN A 9 0.811 4.261 9.266 1.00 0.00 O ATOM 90 CB GLN A 9 2.104 3.616 12.285 1.00 0.00 C ATOM 91 CG GLN A 9 1.670 4.303 13.582 1.00 0.00 C ATOM 92 CD GLN A 9 1.582 5.812 13.366 1.00 0.00 C ATOM 93 OE1 GLN A 9 2.441 6.559 13.823 1.00 0.00 O ATOM 94 NE2 GLN A 9 0.618 6.308 12.661 1.00 0.00 N ATOM 0 H GLN A 9 0.899 1.454 12.415 1.00 0.00 H new ATOM 0 HA GLN A 9 0.103 4.037 11.639 1.00 0.00 H new ATOM 0 HB2 GLN A 9 2.649 2.700 12.513 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.784 4.262 11.731 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.703 3.916 13.903 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.382 4.081 14.377 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -0.101 5.695 12.277 1.00 0.00 H new ATOM 0 HE22 GLN A 9 0.576 7.313 12.489 1.00 0.00 H new ATOM 103 N LEU A 10 1.947 2.351 9.508 1.00 0.00 N ATOM 104 CA LEU A 10 2.332 2.336 8.125 1.00 0.00 C ATOM 105 C LEU A 10 1.112 2.256 7.235 1.00 0.00 C ATOM 106 O LEU A 10 1.004 3.000 6.272 1.00 0.00 O ATOM 107 CB LEU A 10 3.335 1.229 7.818 1.00 0.00 C ATOM 108 CG LEU A 10 4.652 1.500 8.581 1.00 0.00 C ATOM 109 CD1 LEU A 10 5.734 0.540 8.117 1.00 0.00 C ATOM 110 CD2 LEU A 10 5.124 2.948 8.395 1.00 0.00 C ATOM 0 H LEU A 10 2.267 1.555 10.059 1.00 0.00 H new ATOM 0 HA LEU A 10 2.842 3.276 7.913 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.926 0.262 8.110 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.526 1.184 6.746 1.00 0.00 H new ATOM 0 HG LEU A 10 4.458 1.343 9.642 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.657 0.741 8.662 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.416 -0.485 8.307 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.906 0.675 7.049 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.052 3.102 8.945 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.294 3.142 7.336 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.362 3.630 8.771 1.00 0.00 H new ATOM 122 N PHE A 11 0.139 1.448 7.625 1.00 0.00 N ATOM 123 CA PHE A 11 -1.125 1.404 6.901 1.00 0.00 C ATOM 124 C PHE A 11 -1.792 2.764 6.914 1.00 0.00 C ATOM 125 O PHE A 11 -2.164 3.295 5.867 1.00 0.00 O ATOM 126 CB PHE A 11 -2.068 0.374 7.532 1.00 0.00 C ATOM 127 CG PHE A 11 -3.470 0.558 6.978 1.00 0.00 C ATOM 128 CD1 PHE A 11 -3.784 0.141 5.679 1.00 0.00 C ATOM 129 CD2 PHE A 11 -4.455 1.160 7.775 1.00 0.00 C ATOM 130 CE1 PHE A 11 -5.076 0.324 5.182 1.00 0.00 C ATOM 131 CE2 PHE A 11 -5.746 1.340 7.276 1.00 0.00 C ATOM 132 CZ PHE A 11 -6.058 0.923 5.980 1.00 0.00 C ATOM 0 H PHE A 11 0.196 0.821 8.427 1.00 0.00 H new ATOM 0 HA PHE A 11 -0.913 1.117 5.871 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.713 -0.635 7.322 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -2.076 0.490 8.616 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.028 -0.322 5.062 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.214 1.485 8.776 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.318 0.003 4.180 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -6.504 1.802 7.892 1.00 0.00 H new ATOM 0 HZ PHE A 11 -7.057 1.063 5.594 1.00 0.00 H new ATOM 142 N ASN A 12 -1.894 3.353 8.095 1.00 0.00 N ATOM 143 CA ASN A 12 -2.529 4.656 8.224 1.00 0.00 C ATOM 144 C ASN A 12 -1.759 5.660 7.417 1.00 0.00 C ATOM 145 O ASN A 12 -2.332 6.479 6.691 1.00 0.00 O ATOM 146 CB ASN A 12 -2.512 5.097 9.689 1.00 0.00 C ATOM 147 CG ASN A 12 -3.459 4.250 10.513 1.00 0.00 C ATOM 148 OD1 ASN A 12 -4.511 3.832 10.024 1.00 0.00 O ATOM 149 ND2 ASN A 12 -3.146 3.947 11.730 1.00 0.00 N ATOM 0 H ASN A 12 -1.550 2.956 8.969 1.00 0.00 H new ATOM 0 HA ASN A 12 -3.558 4.590 7.869 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -1.501 5.014 10.088 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -2.798 6.146 9.762 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -3.769 3.362 12.286 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -2.276 4.293 12.134 1.00 0.00 H new ATOM 156 N ARG A 13 -0.459 5.587 7.536 1.00 0.00 N ATOM 157 CA ARG A 13 0.413 6.469 6.814 1.00 0.00 C ATOM 158 C ARG A 13 0.326 6.179 5.324 1.00 0.00 C ATOM 159 O ARG A 13 -0.037 7.045 4.542 1.00 0.00 O ATOM 160 CB ARG A 13 1.834 6.231 7.323 1.00 0.00 C ATOM 161 CG ARG A 13 1.933 6.762 8.762 1.00 0.00 C ATOM 162 CD ARG A 13 3.227 6.281 9.416 1.00 0.00 C ATOM 163 NE ARG A 13 3.312 6.751 10.799 1.00 0.00 N ATOM 164 CZ ARG A 13 4.464 6.747 11.469 1.00 0.00 C ATOM 165 NH1 ARG A 13 5.572 6.470 10.848 1.00 0.00 N ATOM 166 NH2 ARG A 13 4.492 7.029 12.738 1.00 0.00 N ATOM 0 H ARG A 13 0.022 4.916 8.135 1.00 0.00 H new ATOM 0 HA ARG A 13 0.126 7.509 6.970 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.073 5.168 7.294 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.556 6.738 6.682 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.903 7.852 8.758 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.076 6.421 9.342 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.269 5.192 9.393 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.084 6.645 8.849 1.00 0.00 H new ATOM 0 HE ARG A 13 2.469 7.090 11.262 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.558 6.257 9.851 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.455 6.466 11.358 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.627 7.256 13.229 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.379 7.023 13.242 1.00 0.00 H new ATOM 180 N ALA A 14 0.481 4.914 4.960 1.00 0.00 N ATOM 181 CA ALA A 14 0.399 4.506 3.565 1.00 0.00 C ATOM 182 C ALA A 14 -0.928 4.895 2.965 1.00 0.00 C ATOM 183 O ALA A 14 -0.976 5.531 1.909 1.00 0.00 O ATOM 184 CB ALA A 14 0.610 2.994 3.427 1.00 0.00 C ATOM 0 H ALA A 14 0.664 4.152 5.612 1.00 0.00 H new ATOM 0 HA ALA A 14 1.191 5.023 3.023 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.544 2.712 2.376 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.594 2.727 3.814 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.158 2.466 3.993 1.00 0.00 H new ATOM 190 N VAL A 15 -2.006 4.548 3.645 1.00 0.00 N ATOM 191 CA VAL A 15 -3.316 4.882 3.150 1.00 0.00 C ATOM 192 C VAL A 15 -3.494 6.406 3.089 1.00 0.00 C ATOM 193 O VAL A 15 -3.960 6.942 2.090 1.00 0.00 O ATOM 194 CB VAL A 15 -4.423 4.191 3.990 1.00 0.00 C ATOM 195 CG1 VAL A 15 -4.834 5.051 5.180 1.00 0.00 C ATOM 196 CG2 VAL A 15 -5.651 3.905 3.115 1.00 0.00 C ATOM 0 H VAL A 15 -1.995 4.041 4.530 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.413 4.503 2.133 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.017 3.253 4.367 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.611 4.539 5.748 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.969 5.222 5.821 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.216 6.007 4.823 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.421 3.420 3.716 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.039 4.842 2.715 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.367 3.250 2.292 1.00 0.00 H new ATOM 206 N SER A 16 -3.000 7.114 4.103 1.00 0.00 N ATOM 207 CA SER A 16 -3.076 8.562 4.080 1.00 0.00 C ATOM 208 C SER A 16 -2.261 9.092 2.920 1.00 0.00 C ATOM 209 O SER A 16 -2.690 9.996 2.192 1.00 0.00 O ATOM 210 CB SER A 16 -2.572 9.156 5.407 1.00 0.00 C ATOM 211 OG SER A 16 -2.720 10.582 5.393 1.00 0.00 O ATOM 0 H SER A 16 -2.554 6.715 4.929 1.00 0.00 H new ATOM 0 HA SER A 16 -4.117 8.859 3.953 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.132 8.732 6.241 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.525 8.892 5.559 1.00 0.00 H new ATOM 0 HG SER A 16 -2.399 10.953 6.241 1.00 0.00 H new ATOM 217 N MET A 17 -1.080 8.536 2.764 1.00 0.00 N ATOM 218 CA MET A 17 -0.175 8.959 1.722 1.00 0.00 C ATOM 219 C MET A 17 -0.785 8.713 0.346 1.00 0.00 C ATOM 220 O MET A 17 -0.763 9.596 -0.516 1.00 0.00 O ATOM 221 CB MET A 17 1.138 8.186 1.875 1.00 0.00 C ATOM 222 CG MET A 17 1.772 8.527 3.235 1.00 0.00 C ATOM 223 SD MET A 17 2.975 7.248 3.711 1.00 0.00 S ATOM 224 CE MET A 17 4.180 7.495 2.385 1.00 0.00 C ATOM 0 H MET A 17 -0.723 7.783 3.352 1.00 0.00 H new ATOM 0 HA MET A 17 0.014 10.029 1.812 1.00 0.00 H new ATOM 0 HB2 MET A 17 0.953 7.114 1.805 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.822 8.444 1.067 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.265 9.497 3.181 1.00 0.00 H new ATOM 0 HG3 MET A 17 0.996 8.606 3.996 1.00 0.00 H new ATOM 0 HE1 MET A 17 4.128 6.660 1.686 1.00 0.00 H new ATOM 0 HE2 MET A 17 3.957 8.423 1.859 1.00 0.00 H new ATOM 0 HE3 MET A 17 5.182 7.550 2.810 1.00 0.00 H new ATOM 234 N VAL A 18 -1.353 7.527 0.147 1.00 0.00 N ATOM 235 CA VAL A 18 -1.983 7.200 -1.131 1.00 0.00 C ATOM 236 C VAL A 18 -3.331 7.896 -1.329 1.00 0.00 C ATOM 237 O VAL A 18 -3.614 8.398 -2.418 1.00 0.00 O ATOM 238 CB VAL A 18 -2.101 5.684 -1.342 1.00 0.00 C ATOM 239 CG1 VAL A 18 -0.707 5.051 -1.285 1.00 0.00 C ATOM 240 CG2 VAL A 18 -2.979 5.065 -0.258 1.00 0.00 C ATOM 0 H VAL A 18 -1.391 6.783 0.844 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.316 7.591 -1.900 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.554 5.498 -2.316 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.790 3.975 -1.435 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.081 5.479 -2.068 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.257 5.248 -0.312 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.054 3.990 -0.420 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.537 5.254 0.720 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.974 5.508 -0.299 1.00 0.00 H new ATOM 250 N GLU A 19 -4.169 7.926 -0.287 1.00 0.00 N ATOM 251 CA GLU A 19 -5.494 8.522 -0.423 1.00 0.00 C ATOM 252 C GLU A 19 -5.378 9.985 -0.772 1.00 0.00 C ATOM 253 O GLU A 19 -6.298 10.563 -1.333 1.00 0.00 O ATOM 254 CB GLU A 19 -6.303 8.436 0.870 1.00 0.00 C ATOM 255 CG GLU A 19 -6.726 7.007 1.226 1.00 0.00 C ATOM 256 CD GLU A 19 -7.524 7.055 2.533 1.00 0.00 C ATOM 257 OE1 GLU A 19 -7.672 8.151 3.084 1.00 0.00 O ATOM 258 OE2 GLU A 19 -7.981 6.029 2.973 1.00 0.00 O ATOM 0 H GLU A 19 -3.957 7.553 0.638 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.999 7.961 -1.209 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.712 8.847 1.688 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.193 9.058 0.776 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.331 6.580 0.427 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.850 6.368 1.339 1.00 0.00 H new ATOM 265 N LYS A 20 -4.382 10.631 -0.207 1.00 0.00 N ATOM 266 CA LYS A 20 -4.281 12.075 -0.301 1.00 0.00 C ATOM 267 C LYS A 20 -3.360 12.493 -1.449 1.00 0.00 C ATOM 268 O LYS A 20 -3.203 13.687 -1.729 1.00 0.00 O ATOM 269 CB LYS A 20 -3.804 12.656 1.038 1.00 0.00 C ATOM 270 CG LYS A 20 -4.748 12.179 2.174 1.00 0.00 C ATOM 271 CD LYS A 20 -6.192 12.675 1.932 1.00 0.00 C ATOM 272 CE LYS A 20 -7.147 11.470 1.766 1.00 0.00 C ATOM 273 NZ LYS A 20 -7.113 10.607 2.987 1.00 0.00 N ATOM 0 H LYS A 20 -3.632 10.184 0.321 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.270 12.478 -0.520 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.782 12.337 1.242 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.795 13.745 0.992 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.737 11.090 2.229 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.387 12.550 3.133 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.517 13.294 2.768 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.225 13.301 1.040 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.163 11.824 1.591 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.858 10.886 0.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.608 9.713 2.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.125 10.408 3.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.582 11.100 3.773 1.00 0.00 H new ATOM 287 N ASN A 21 -2.806 11.510 -2.153 1.00 0.00 N ATOM 288 CA ASN A 21 -1.935 11.785 -3.299 1.00 0.00 C ATOM 289 C ASN A 21 -2.767 12.063 -4.540 1.00 0.00 C ATOM 290 O ASN A 21 -3.555 11.225 -4.964 1.00 0.00 O ATOM 291 CB ASN A 21 -0.996 10.614 -3.568 1.00 0.00 C ATOM 292 CG ASN A 21 0.031 11.013 -4.612 1.00 0.00 C ATOM 293 OD1 ASN A 21 -0.311 11.198 -5.786 1.00 0.00 O ATOM 294 ND2 ASN A 21 1.271 11.176 -4.260 1.00 0.00 N ATOM 0 H ASN A 21 -2.942 10.519 -1.954 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.337 12.664 -3.059 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.496 10.317 -2.646 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.565 9.751 -3.914 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.965 11.457 -4.953 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.550 11.023 -3.291 1.00 0.00 H new ATOM 301 N LYS A 22 -2.647 13.267 -5.063 1.00 0.00 N ATOM 302 CA LYS A 22 -3.475 13.722 -6.173 1.00 0.00 C ATOM 303 C LYS A 22 -3.505 12.735 -7.342 1.00 0.00 C ATOM 304 O LYS A 22 -4.583 12.458 -7.900 1.00 0.00 O ATOM 305 CB LYS A 22 -3.031 15.131 -6.635 1.00 0.00 C ATOM 306 CG LYS A 22 -1.786 15.070 -7.556 1.00 0.00 C ATOM 307 CD LYS A 22 -0.526 14.695 -6.751 1.00 0.00 C ATOM 308 CE LYS A 22 0.180 15.963 -6.245 1.00 0.00 C ATOM 309 NZ LYS A 22 0.760 16.709 -7.393 1.00 0.00 N ATOM 0 H LYS A 22 -1.975 13.960 -4.734 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.499 13.779 -5.804 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.851 15.615 -7.165 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.808 15.746 -5.763 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.949 14.338 -8.347 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.639 16.035 -8.041 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.800 14.062 -5.907 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.154 14.116 -7.376 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.528 16.595 -5.709 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.966 15.695 -5.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.589 17.249 -7.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.049 16.038 -8.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.048 17.363 -7.778 1.00 0.00 H new ATOM 323 N ASP A 23 -2.344 12.234 -7.748 1.00 0.00 N ATOM 324 CA ASP A 23 -2.306 11.317 -8.877 1.00 0.00 C ATOM 325 C ASP A 23 -3.027 10.028 -8.515 1.00 0.00 C ATOM 326 O ASP A 23 -3.917 9.573 -9.233 1.00 0.00 O ATOM 327 CB ASP A 23 -0.866 11.017 -9.301 1.00 0.00 C ATOM 328 CG ASP A 23 -0.860 10.473 -10.719 1.00 0.00 C ATOM 329 OD1 ASP A 23 -1.135 11.239 -11.620 1.00 0.00 O ATOM 330 OD2 ASP A 23 -0.574 9.315 -10.897 1.00 0.00 O ATOM 0 H ASP A 23 -1.439 12.441 -7.324 1.00 0.00 H new ATOM 0 HA ASP A 23 -2.810 11.790 -9.720 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.263 11.923 -9.245 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.418 10.293 -8.620 1.00 0.00 H new ATOM 335 N ILE A 24 -2.727 9.512 -7.331 1.00 0.00 N ATOM 336 CA ILE A 24 -3.415 8.335 -6.825 1.00 0.00 C ATOM 337 C ILE A 24 -4.891 8.651 -6.612 1.00 0.00 C ATOM 338 O ILE A 24 -5.758 7.884 -7.016 1.00 0.00 O ATOM 339 CB ILE A 24 -2.770 7.812 -5.534 1.00 0.00 C ATOM 340 CG1 ILE A 24 -1.364 7.281 -5.847 1.00 0.00 C ATOM 341 CG2 ILE A 24 -3.616 6.662 -4.972 1.00 0.00 C ATOM 342 CD1 ILE A 24 -0.616 6.992 -4.544 1.00 0.00 C ATOM 0 H ILE A 24 -2.015 9.889 -6.706 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.327 7.542 -7.568 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.710 8.621 -4.806 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.433 6.373 -6.446 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.813 8.012 -6.439 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.160 6.289 -4.055 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.622 7.022 -4.756 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.668 5.857 -5.705 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.381 6.615 -4.773 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.533 7.909 -3.961 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.163 6.245 -3.969 1.00 0.00 H new ATOM 354 N ARG A 25 -5.181 9.817 -6.046 1.00 0.00 N ATOM 355 CA ARG A 25 -6.567 10.211 -5.862 1.00 0.00 C ATOM 356 C ARG A 25 -7.267 10.191 -7.179 1.00 0.00 C ATOM 357 O ARG A 25 -8.392 9.708 -7.290 1.00 0.00 O ATOM 358 CB ARG A 25 -6.691 11.615 -5.283 1.00 0.00 C ATOM 359 CG ARG A 25 -6.382 11.606 -3.793 1.00 0.00 C ATOM 360 CD ARG A 25 -6.810 12.941 -3.183 1.00 0.00 C ATOM 361 NE ARG A 25 -6.096 14.056 -3.806 1.00 0.00 N ATOM 362 CZ ARG A 25 -6.746 15.065 -4.400 1.00 0.00 C ATOM 363 NH1 ARG A 25 -8.047 15.020 -4.535 1.00 0.00 N ATOM 364 NH2 ARG A 25 -6.081 16.084 -4.857 1.00 0.00 N ATOM 0 H ARG A 25 -4.491 10.491 -5.714 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.015 9.504 -5.163 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.007 12.289 -5.798 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.699 11.996 -5.449 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.907 10.785 -3.305 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.316 11.444 -3.631 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.884 13.076 -3.311 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.615 12.934 -2.111 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.076 14.065 -3.787 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.568 14.215 -4.187 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -8.540 15.790 -4.988 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.066 16.114 -4.763 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.574 16.853 -5.310 1.00 0.00 H new ATOM 378 N SER A 26 -6.592 10.684 -8.180 1.00 0.00 N ATOM 379 CA SER A 26 -7.122 10.664 -9.509 1.00 0.00 C ATOM 380 C SER A 26 -7.369 9.218 -9.933 1.00 0.00 C ATOM 381 O SER A 26 -8.451 8.884 -10.421 1.00 0.00 O ATOM 382 CB SER A 26 -6.153 11.357 -10.448 1.00 0.00 C ATOM 383 OG SER A 26 -5.961 12.699 -9.996 1.00 0.00 O ATOM 0 H SER A 26 -5.668 11.107 -8.096 1.00 0.00 H new ATOM 0 HA SER A 26 -8.072 11.198 -9.545 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.202 10.825 -10.470 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.544 11.353 -11.466 1.00 0.00 H new ATOM 0 HG SER A 26 -5.184 12.735 -9.400 1.00 0.00 H new ATOM 389 N LEU A 27 -6.416 8.346 -9.610 1.00 0.00 N ATOM 390 CA LEU A 27 -6.570 6.912 -9.851 1.00 0.00 C ATOM 391 C LEU A 27 -7.731 6.374 -9.019 1.00 0.00 C ATOM 392 O LEU A 27 -8.521 5.550 -9.486 1.00 0.00 O ATOM 393 CB LEU A 27 -5.283 6.157 -9.487 1.00 0.00 C ATOM 394 CG LEU A 27 -4.150 6.562 -10.443 1.00 0.00 C ATOM 395 CD1 LEU A 27 -2.826 5.932 -9.986 1.00 0.00 C ATOM 396 CD2 LEU A 27 -4.472 6.103 -11.870 1.00 0.00 C ATOM 0 H LEU A 27 -5.528 8.607 -9.181 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.774 6.759 -10.911 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.999 6.379 -8.458 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.453 5.082 -9.546 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.055 7.648 -10.431 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.029 6.225 -10.669 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.587 6.277 -8.980 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.921 4.846 -9.983 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.662 6.396 -12.538 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.583 5.019 -11.887 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.401 6.568 -12.201 1.00 0.00 H new ATOM 408 N LEU A 28 -7.827 6.859 -7.785 1.00 0.00 N ATOM 409 CA LEU A 28 -8.884 6.448 -6.863 1.00 0.00 C ATOM 410 C LEU A 28 -10.176 7.191 -7.182 1.00 0.00 C ATOM 411 O LEU A 28 -11.217 6.974 -6.539 1.00 0.00 O ATOM 412 CB LEU A 28 -8.490 6.750 -5.407 1.00 0.00 C ATOM 413 CG LEU A 28 -7.256 5.933 -4.988 1.00 0.00 C ATOM 414 CD1 LEU A 28 -6.823 6.358 -3.579 1.00 0.00 C ATOM 415 CD2 LEU A 28 -7.600 4.441 -4.977 1.00 0.00 C ATOM 0 H LEU A 28 -7.179 7.544 -7.396 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.030 5.374 -6.981 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.281 7.814 -5.297 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.325 6.519 -4.745 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.448 6.113 -5.697 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.948 5.781 -3.278 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.575 7.419 -3.579 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.637 6.175 -2.878 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.722 3.867 -4.680 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.409 4.259 -4.269 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.914 4.133 -5.974 1.00 0.00 H new ATOM 427 N GLN A 29 -10.092 8.121 -8.116 1.00 0.00 N ATOM 428 CA GLN A 29 -11.223 8.953 -8.479 1.00 0.00 C ATOM 429 C GLN A 29 -11.707 9.744 -7.259 1.00 0.00 C ATOM 430 O GLN A 29 -12.897 10.022 -7.113 1.00 0.00 O ATOM 431 CB GLN A 29 -12.369 8.089 -9.041 1.00 0.00 C ATOM 432 CG GLN A 29 -11.878 7.271 -10.252 1.00 0.00 C ATOM 433 CD GLN A 29 -11.479 8.190 -11.400 1.00 0.00 C ATOM 434 OE1 GLN A 29 -12.186 9.149 -11.696 1.00 0.00 O ATOM 435 NE2 GLN A 29 -10.394 7.957 -12.062 1.00 0.00 N ATOM 0 H GLN A 29 -9.241 8.320 -8.642 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.906 9.653 -9.252 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.741 7.418 -8.267 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.202 8.726 -9.338 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.027 6.656 -9.960 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.664 6.592 -10.581 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.807 7.160 -11.815 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.124 8.570 -12.831 1.00 0.00 H new ATOM 444 N CYS A 30 -10.786 10.106 -6.382 1.00 0.00 N ATOM 445 CA CYS A 30 -11.109 10.885 -5.185 1.00 0.00 C ATOM 446 C CYS A 30 -11.629 12.277 -5.562 1.00 0.00 C ATOM 447 O CYS A 30 -11.305 13.275 -4.915 1.00 0.00 O ATOM 448 CB CYS A 30 -9.883 10.998 -4.267 1.00 0.00 C ATOM 449 SG CYS A 30 -10.362 10.589 -2.569 1.00 0.00 S ATOM 0 H CYS A 30 -9.797 9.873 -6.473 1.00 0.00 H new ATOM 0 HA CYS A 30 -11.898 10.363 -4.644 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -9.097 10.324 -4.607 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -9.476 12.008 -4.308 1.00 0.00 H new ATOM 0 HG CYS A 30 -11.599 10.935 -2.372 1.00 0.00 H new ATOM 455 N ASP A 31 -12.459 12.315 -6.597 1.00 0.00 N ATOM 456 CA ASP A 31 -13.079 13.546 -7.069 1.00 0.00 C ATOM 457 C ASP A 31 -14.038 14.076 -6.044 1.00 0.00 C ATOM 458 O ASP A 31 -13.963 15.238 -5.634 1.00 0.00 O ATOM 459 CB ASP A 31 -13.824 13.285 -8.377 1.00 0.00 C ATOM 460 CG ASP A 31 -14.636 14.498 -8.765 1.00 0.00 C ATOM 461 OD1 ASP A 31 -14.074 15.569 -8.833 1.00 0.00 O ATOM 462 OD2 ASP A 31 -15.815 14.340 -9.001 1.00 0.00 O ATOM 0 H ASP A 31 -12.722 11.489 -7.135 1.00 0.00 H new ATOM 0 HA ASP A 31 -12.296 14.286 -7.238 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -13.113 13.046 -9.168 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -14.479 12.421 -8.265 1.00 0.00 H new ATOM 467 N ASP A 32 -14.904 13.187 -5.598 1.00 0.00 N ATOM 468 CA ASP A 32 -15.866 13.485 -4.561 1.00 0.00 C ATOM 469 C ASP A 32 -16.646 14.742 -4.888 1.00 0.00 C ATOM 470 O ASP A 32 -16.495 15.784 -4.239 1.00 0.00 O ATOM 471 CB ASP A 32 -15.159 13.581 -3.213 1.00 0.00 C ATOM 472 CG ASP A 32 -14.603 12.221 -2.869 1.00 0.00 C ATOM 473 OD1 ASP A 32 -13.495 11.932 -3.279 1.00 0.00 O ATOM 474 OD2 ASP A 32 -15.296 11.467 -2.234 1.00 0.00 O ATOM 0 H ASP A 32 -14.958 12.231 -5.949 1.00 0.00 H new ATOM 0 HA ASP A 32 -16.592 12.674 -4.503 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -14.357 14.318 -3.257 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -15.855 13.912 -2.442 1.00 0.00 H new ATOM 479 N GLY A 33 -17.456 14.647 -5.923 1.00 0.00 N ATOM 480 CA GLY A 33 -18.247 15.772 -6.386 1.00 0.00 C ATOM 481 C GLY A 33 -19.416 15.307 -7.234 1.00 0.00 C ATOM 482 O GLY A 33 -20.508 15.074 -6.716 1.00 0.00 O ATOM 0 H GLY A 33 -17.585 13.793 -6.465 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -18.617 16.337 -5.530 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.619 16.448 -6.967 1.00 0.00 H new ATOM 486 N ILE A 34 -19.199 15.184 -8.537 1.00 0.00 N ATOM 487 CA ILE A 34 -20.277 14.806 -9.448 1.00 0.00 C ATOM 488 C ILE A 34 -20.808 13.415 -9.150 1.00 0.00 C ATOM 489 O ILE A 34 -22.017 13.212 -9.048 1.00 0.00 O ATOM 490 CB ILE A 34 -19.795 14.885 -10.910 1.00 0.00 C ATOM 491 CG1 ILE A 34 -20.893 14.372 -11.850 1.00 0.00 C ATOM 492 CG2 ILE A 34 -18.529 14.039 -11.102 1.00 0.00 C ATOM 493 CD1 ILE A 34 -22.156 15.219 -11.691 1.00 0.00 C ATOM 0 H ILE A 34 -18.296 15.338 -8.986 1.00 0.00 H new ATOM 0 HA ILE A 34 -21.094 15.512 -9.298 1.00 0.00 H new ATOM 0 HB ILE A 34 -19.569 15.925 -11.144 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -20.547 14.411 -12.883 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -21.115 13.328 -11.628 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -18.201 14.105 -12.139 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -17.740 14.411 -10.448 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -18.745 13.000 -10.855 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -22.930 14.847 -12.362 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -22.508 15.157 -10.661 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -21.931 16.257 -11.936 1.00 0.00 H new ATOM 505 N THR A 35 -19.914 12.479 -8.933 1.00 0.00 N ATOM 506 CA THR A 35 -20.326 11.130 -8.607 1.00 0.00 C ATOM 507 C THR A 35 -20.486 10.987 -7.095 1.00 0.00 C ATOM 508 O THR A 35 -20.318 9.896 -6.528 1.00 0.00 O ATOM 509 CB THR A 35 -19.359 10.080 -9.245 1.00 0.00 C ATOM 510 OG1 THR A 35 -19.128 8.965 -8.378 1.00 0.00 O ATOM 511 CG2 THR A 35 -18.014 10.717 -9.616 1.00 0.00 C ATOM 0 H THR A 35 -18.905 12.622 -8.975 1.00 0.00 H new ATOM 0 HA THR A 35 -21.304 10.926 -9.044 1.00 0.00 H new ATOM 0 HB THR A 35 -19.851 9.720 -10.149 1.00 0.00 H new ATOM 0 HG1 THR A 35 -19.928 8.801 -7.836 1.00 0.00 H new ATOM 0 HG21 THR A 35 -17.363 9.962 -10.057 1.00 0.00 H new ATOM 0 HG22 THR A 35 -18.178 11.520 -10.335 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.544 11.122 -8.720 1.00 0.00 H new ATOM 519 N GLY A 36 -20.815 12.103 -6.450 1.00 0.00 N ATOM 520 CA GLY A 36 -20.999 12.136 -5.012 1.00 0.00 C ATOM 521 C GLY A 36 -19.660 12.091 -4.309 1.00 0.00 C ATOM 522 O GLY A 36 -18.614 11.941 -4.957 1.00 0.00 O ATOM 0 H GLY A 36 -20.960 13.002 -6.911 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -21.536 13.041 -4.728 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -21.611 11.291 -4.698 1.00 0.00 H new ATOM 526 N LYS A 37 -19.689 12.172 -2.990 1.00 0.00 N ATOM 527 CA LYS A 37 -18.480 12.074 -2.201 1.00 0.00 C ATOM 528 C LYS A 37 -18.446 10.711 -1.543 1.00 0.00 C ATOM 529 O LYS A 37 -19.347 10.365 -0.770 1.00 0.00 O ATOM 530 CB LYS A 37 -18.483 13.171 -1.126 1.00 0.00 C ATOM 531 CG LYS A 37 -18.355 14.557 -1.787 1.00 0.00 C ATOM 532 CD LYS A 37 -19.732 15.064 -2.251 1.00 0.00 C ATOM 533 CE LYS A 37 -20.553 15.537 -1.046 1.00 0.00 C ATOM 534 NZ LYS A 37 -20.246 16.959 -0.775 1.00 0.00 N ATOM 0 H LYS A 37 -20.540 12.306 -2.445 1.00 0.00 H new ATOM 0 HA LYS A 37 -17.603 12.201 -2.835 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -19.404 13.120 -0.545 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -17.658 13.013 -0.431 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -17.920 15.264 -1.081 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -17.677 14.499 -2.638 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -19.607 15.883 -2.959 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -20.264 14.269 -2.774 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -21.618 15.414 -1.246 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -20.320 14.929 -0.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -20.801 17.284 0.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -19.232 17.062 -0.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -20.489 17.532 -1.609 1.00 0.00 H new ATOM 548 N GLU A 38 -17.423 9.942 -1.843 1.00 0.00 N ATOM 549 CA GLU A 38 -17.286 8.609 -1.273 1.00 0.00 C ATOM 550 C GLU A 38 -16.521 8.580 0.022 1.00 0.00 C ATOM 551 O GLU A 38 -15.670 9.431 0.279 1.00 0.00 O ATOM 552 CB GLU A 38 -16.723 7.609 -2.272 1.00 0.00 C ATOM 553 CG GLU A 38 -17.783 7.323 -3.347 1.00 0.00 C ATOM 554 CD GLU A 38 -18.996 6.643 -2.720 1.00 0.00 C ATOM 555 OE1 GLU A 38 -18.852 6.066 -1.657 1.00 0.00 O ATOM 556 OE2 GLU A 38 -20.053 6.708 -3.309 1.00 0.00 O ATOM 0 H GLU A 38 -16.671 10.211 -2.477 1.00 0.00 H new ATOM 0 HA GLU A 38 -18.303 8.299 -1.030 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -15.818 8.006 -2.732 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -16.444 6.686 -1.764 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -18.086 8.254 -3.827 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -17.361 6.686 -4.124 1.00 0.00 H new ATOM 563 N ARG A 39 -16.698 7.499 0.738 1.00 0.00 N ATOM 564 CA ARG A 39 -15.903 7.221 1.911 1.00 0.00 C ATOM 565 C ARG A 39 -14.909 6.141 1.523 1.00 0.00 C ATOM 566 O ARG A 39 -15.308 5.099 0.996 1.00 0.00 O ATOM 567 CB ARG A 39 -16.802 6.707 3.047 1.00 0.00 C ATOM 568 CG ARG A 39 -18.143 7.469 3.059 1.00 0.00 C ATOM 569 CD ARG A 39 -17.910 8.977 3.231 1.00 0.00 C ATOM 570 NE ARG A 39 -17.233 9.255 4.491 1.00 0.00 N ATOM 571 CZ ARG A 39 -17.044 10.498 4.925 1.00 0.00 C ATOM 572 NH1 ARG A 39 -17.486 11.507 4.224 1.00 0.00 N ATOM 573 NH2 ARG A 39 -16.419 10.700 6.043 1.00 0.00 N ATOM 0 H ARG A 39 -17.396 6.786 0.526 1.00 0.00 H new ATOM 0 HA ARG A 39 -15.396 8.121 2.258 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -16.984 5.640 2.920 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -16.297 6.833 4.004 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -18.681 7.283 2.129 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -18.770 7.098 3.870 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -17.313 9.354 2.401 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -18.864 9.503 3.202 1.00 0.00 H new ATOM 0 HE ARG A 39 -16.895 8.475 5.055 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -17.976 11.342 3.345 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -17.342 12.461 4.556 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -16.075 9.908 6.585 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -16.271 11.651 6.380 1.00 0.00 H new ATOM 587 N LEU A 40 -13.630 6.429 1.655 1.00 0.00 N ATOM 588 CA LEU A 40 -12.614 5.497 1.193 1.00 0.00 C ATOM 589 C LEU A 40 -12.388 4.384 2.200 1.00 0.00 C ATOM 590 O LEU A 40 -12.394 4.613 3.420 1.00 0.00 O ATOM 591 CB LEU A 40 -11.298 6.227 0.873 1.00 0.00 C ATOM 592 CG LEU A 40 -11.487 7.099 -0.388 1.00 0.00 C ATOM 593 CD1 LEU A 40 -12.117 8.442 -0.010 1.00 0.00 C ATOM 594 CD2 LEU A 40 -10.133 7.350 -1.064 1.00 0.00 C ATOM 0 H LEU A 40 -13.270 7.287 2.072 1.00 0.00 H new ATOM 0 HA LEU A 40 -12.978 5.042 0.272 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.000 6.849 1.717 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.498 5.504 0.712 1.00 0.00 H new ATOM 0 HG LEU A 40 -12.145 6.571 -1.078 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -12.246 9.049 -0.906 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.088 8.270 0.455 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.466 8.964 0.691 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.278 7.966 -1.952 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.470 7.865 -0.369 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.688 6.398 -1.352 1.00 0.00 H new ATOM 606 N LYS A 41 -12.218 3.176 1.695 1.00 0.00 N ATOM 607 CA LYS A 41 -11.972 2.019 2.540 1.00 0.00 C ATOM 608 C LYS A 41 -10.793 1.238 2.028 1.00 0.00 C ATOM 609 O LYS A 41 -10.593 1.136 0.813 1.00 0.00 O ATOM 610 CB LYS A 41 -13.206 1.114 2.617 1.00 0.00 C ATOM 611 CG LYS A 41 -14.283 1.775 3.485 1.00 0.00 C ATOM 612 CD LYS A 41 -14.108 1.336 4.953 1.00 0.00 C ATOM 613 CE LYS A 41 -13.110 2.256 5.678 1.00 0.00 C ATOM 614 NZ LYS A 41 -13.424 3.683 5.384 1.00 0.00 N ATOM 0 H LYS A 41 -12.246 2.969 0.697 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.752 2.381 3.544 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.596 0.930 1.616 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -12.932 0.146 3.036 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.210 2.860 3.408 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -15.274 1.496 3.127 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -15.071 1.361 5.463 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -13.754 0.306 4.990 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.155 2.079 6.753 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.093 2.026 5.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.081 4.281 6.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.957 3.966 4.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.453 3.799 5.285 1.00 0.00 H new ATOM 628 N ALA A 42 -10.030 0.662 2.947 1.00 0.00 N ATOM 629 CA ALA A 42 -8.887 -0.150 2.583 1.00 0.00 C ATOM 630 C ALA A 42 -8.819 -1.408 3.433 1.00 0.00 C ATOM 631 O ALA A 42 -9.141 -1.380 4.619 1.00 0.00 O ATOM 632 CB ALA A 42 -7.586 0.645 2.693 1.00 0.00 C ATOM 0 H ALA A 42 -10.186 0.745 3.952 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.013 -0.448 1.542 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.746 0.009 2.414 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.628 1.505 2.025 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.455 0.989 3.719 1.00 0.00 H new ATOM 638 N TYR A 43 -8.441 -2.512 2.820 1.00 0.00 N ATOM 639 CA TYR A 43 -8.382 -3.796 3.514 1.00 0.00 C ATOM 640 C TYR A 43 -7.401 -4.754 2.862 1.00 0.00 C ATOM 641 O TYR A 43 -6.885 -4.487 1.772 1.00 0.00 O ATOM 642 CB TYR A 43 -9.778 -4.431 3.636 1.00 0.00 C ATOM 643 CG TYR A 43 -10.484 -4.383 2.301 1.00 0.00 C ATOM 644 CD1 TYR A 43 -10.299 -5.407 1.370 1.00 0.00 C ATOM 645 CD2 TYR A 43 -11.331 -3.312 2.001 1.00 0.00 C ATOM 646 CE1 TYR A 43 -10.956 -5.366 0.142 1.00 0.00 C ATOM 647 CE2 TYR A 43 -11.990 -3.264 0.773 1.00 0.00 C ATOM 648 CZ TYR A 43 -11.808 -4.290 -0.162 1.00 0.00 C ATOM 649 OH TYR A 43 -12.469 -4.245 -1.377 1.00 0.00 O ATOM 0 H TYR A 43 -8.168 -2.552 1.838 1.00 0.00 H new ATOM 0 HA TYR A 43 -8.014 -3.595 4.520 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -9.689 -5.464 3.973 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -10.364 -3.900 4.386 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -9.644 -6.234 1.603 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -11.475 -2.520 2.722 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -10.811 -6.160 -0.576 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -12.642 -2.434 0.543 1.00 0.00 H new ATOM 0 HH TYR A 43 -13.308 -3.749 -1.275 1.00 0.00 H new ATOM 659 N GLY A 44 -7.134 -5.863 3.541 1.00 0.00 N ATOM 660 CA GLY A 44 -6.244 -6.870 3.040 1.00 0.00 C ATOM 661 C GLY A 44 -6.773 -7.421 1.754 1.00 0.00 C ATOM 662 O GLY A 44 -7.976 -7.492 1.549 1.00 0.00 O ATOM 0 H GLY A 44 -7.535 -6.077 4.454 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.252 -6.446 2.884 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.137 -7.670 3.772 1.00 0.00 H new ATOM 666 N GLU A 45 -5.866 -7.719 0.879 1.00 0.00 N ATOM 667 CA GLU A 45 -6.151 -8.174 -0.461 1.00 0.00 C ATOM 668 C GLU A 45 -7.544 -8.801 -0.589 1.00 0.00 C ATOM 669 O GLU A 45 -7.878 -9.765 0.107 1.00 0.00 O ATOM 670 CB GLU A 45 -5.086 -9.158 -0.889 1.00 0.00 C ATOM 671 CG GLU A 45 -5.073 -9.261 -2.423 1.00 0.00 C ATOM 672 CD GLU A 45 -4.354 -8.081 -3.063 1.00 0.00 C ATOM 673 OE1 GLU A 45 -3.724 -7.326 -2.355 1.00 0.00 O ATOM 674 OE2 GLU A 45 -4.441 -7.952 -4.266 1.00 0.00 O ATOM 0 H GLU A 45 -4.868 -7.653 1.077 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.143 -7.304 -1.117 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.110 -8.835 -0.527 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.281 -10.136 -0.449 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.585 -10.189 -2.721 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.097 -9.307 -2.793 1.00 0.00 H new ATOM 681 N LEU A 46 -8.322 -8.266 -1.519 1.00 0.00 N ATOM 682 CA LEU A 46 -9.691 -8.701 -1.753 1.00 0.00 C ATOM 683 C LEU A 46 -9.757 -10.167 -2.149 1.00 0.00 C ATOM 684 O LEU A 46 -10.666 -10.878 -1.737 1.00 0.00 O ATOM 685 CB LEU A 46 -10.305 -7.854 -2.880 1.00 0.00 C ATOM 686 CG LEU A 46 -11.727 -8.347 -3.212 1.00 0.00 C ATOM 687 CD1 LEU A 46 -12.738 -7.242 -2.932 1.00 0.00 C ATOM 688 CD2 LEU A 46 -11.802 -8.753 -4.688 1.00 0.00 C ATOM 0 H LEU A 46 -8.019 -7.513 -2.136 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.247 -8.573 -0.824 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -10.338 -6.807 -2.579 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.677 -7.911 -3.769 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.960 -9.210 -2.588 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -13.741 -7.598 -3.169 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -12.691 -6.964 -1.879 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -12.507 -6.373 -3.547 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -12.809 -9.101 -4.919 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -11.562 -7.894 -5.314 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -11.088 -9.553 -4.882 1.00 0.00 H new ATOM 700 N ILE A 47 -8.865 -10.585 -3.024 1.00 0.00 N ATOM 701 CA ILE A 47 -8.924 -11.932 -3.581 1.00 0.00 C ATOM 702 C ILE A 47 -9.366 -12.958 -2.522 1.00 0.00 C ATOM 703 O ILE A 47 -10.397 -13.618 -2.680 1.00 0.00 O ATOM 704 CB ILE A 47 -7.561 -12.309 -4.195 1.00 0.00 C ATOM 705 CG1 ILE A 47 -7.618 -13.712 -4.808 1.00 0.00 C ATOM 706 CG2 ILE A 47 -6.459 -12.256 -3.133 1.00 0.00 C ATOM 707 CD1 ILE A 47 -6.339 -13.964 -5.611 1.00 0.00 C ATOM 0 H ILE A 47 -8.090 -10.017 -3.368 1.00 0.00 H new ATOM 0 HA ILE A 47 -9.674 -11.946 -4.372 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.332 -11.587 -4.979 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.722 -14.461 -4.023 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.491 -13.804 -5.454 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -5.505 -12.525 -3.585 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.395 -11.247 -2.725 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.692 -12.958 -2.332 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -6.375 -14.961 -6.049 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.256 -13.222 -6.405 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.474 -13.889 -4.951 1.00 0.00 H new ATOM 719 N THR A 48 -8.618 -13.041 -1.435 1.00 0.00 N ATOM 720 CA THR A 48 -8.957 -13.940 -0.337 1.00 0.00 C ATOM 721 C THR A 48 -9.255 -13.159 0.940 1.00 0.00 C ATOM 722 O THR A 48 -10.087 -13.559 1.745 1.00 0.00 O ATOM 723 CB THR A 48 -7.796 -14.930 -0.089 1.00 0.00 C ATOM 724 OG1 THR A 48 -8.034 -15.685 1.081 1.00 0.00 O ATOM 725 CG2 THR A 48 -6.480 -14.167 0.066 1.00 0.00 C ATOM 0 H THR A 48 -7.769 -12.496 -1.286 1.00 0.00 H new ATOM 0 HA THR A 48 -9.853 -14.494 -0.615 1.00 0.00 H new ATOM 0 HB THR A 48 -7.731 -15.603 -0.944 1.00 0.00 H new ATOM 0 HG1 THR A 48 -7.292 -16.308 1.225 1.00 0.00 H new ATOM 0 HG21 THR A 48 -5.668 -14.873 0.240 1.00 0.00 H new ATOM 0 HG22 THR A 48 -6.279 -13.600 -0.843 1.00 0.00 H new ATOM 0 HG23 THR A 48 -6.553 -13.483 0.911 1.00 0.00 H new ATOM 733 N ASN A 49 -8.482 -12.119 1.170 1.00 0.00 N ATOM 734 CA ASN A 49 -8.524 -11.384 2.426 1.00 0.00 C ATOM 735 C ASN A 49 -9.576 -10.289 2.446 1.00 0.00 C ATOM 736 O ASN A 49 -9.643 -9.503 3.386 1.00 0.00 O ATOM 737 CB ASN A 49 -7.130 -10.877 2.807 1.00 0.00 C ATOM 738 CG ASN A 49 -7.067 -10.472 4.271 1.00 0.00 C ATOM 739 OD1 ASN A 49 -6.438 -11.158 5.062 1.00 0.00 O ATOM 740 ND2 ASN A 49 -7.684 -9.417 4.684 1.00 0.00 N ATOM 0 H ASN A 49 -7.807 -11.756 0.497 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.840 -12.086 3.197 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -6.392 -11.655 2.611 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.868 -10.024 2.181 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -7.646 -9.157 5.670 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -8.210 -8.843 4.025 1.00 0.00 H new ATOM 747 N ASP A 50 -10.462 -10.282 1.458 1.00 0.00 N ATOM 748 CA ASP A 50 -11.548 -9.310 1.475 1.00 0.00 C ATOM 749 C ASP A 50 -12.262 -9.405 2.808 1.00 0.00 C ATOM 750 O ASP A 50 -12.709 -8.393 3.360 1.00 0.00 O ATOM 751 CB ASP A 50 -12.572 -9.570 0.355 1.00 0.00 C ATOM 752 CG ASP A 50 -13.315 -10.871 0.596 1.00 0.00 C ATOM 753 OD1 ASP A 50 -12.670 -11.877 0.757 1.00 0.00 O ATOM 754 OD2 ASP A 50 -14.530 -10.849 0.618 1.00 0.00 O ATOM 0 H ASP A 50 -10.454 -10.916 0.659 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.117 -8.321 1.320 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.282 -8.744 0.306 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -12.063 -9.610 -0.608 1.00 0.00 H new ATOM 759 N LYS A 51 -12.424 -10.638 3.292 1.00 0.00 N ATOM 760 CA LYS A 51 -13.138 -10.874 4.535 1.00 0.00 C ATOM 761 C LYS A 51 -12.397 -10.255 5.722 1.00 0.00 C ATOM 762 O LYS A 51 -12.532 -9.054 5.976 1.00 0.00 O ATOM 763 CB LYS A 51 -13.348 -12.380 4.765 1.00 0.00 C ATOM 764 CG LYS A 51 -14.187 -12.987 3.624 1.00 0.00 C ATOM 765 CD LYS A 51 -15.588 -12.352 3.602 1.00 0.00 C ATOM 766 CE LYS A 51 -16.442 -13.021 2.516 1.00 0.00 C ATOM 767 NZ LYS A 51 -15.787 -12.873 1.193 1.00 0.00 N ATOM 0 H LYS A 51 -12.070 -11.481 2.840 1.00 0.00 H new ATOM 0 HA LYS A 51 -14.114 -10.395 4.454 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -12.383 -12.883 4.822 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -13.849 -12.542 5.719 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -13.689 -12.822 2.669 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -14.270 -14.066 3.757 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -16.065 -12.467 4.575 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -15.510 -11.282 3.409 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -16.578 -14.077 2.748 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -17.434 -12.570 2.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -16.500 -12.960 0.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -15.333 -11.939 1.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -15.068 -13.616 1.076 1.00 0.00 H new ATOM 781 N TRP A 52 -11.599 -11.061 6.440 1.00 0.00 N ATOM 782 CA TRP A 52 -10.841 -10.530 7.571 1.00 0.00 C ATOM 783 C TRP A 52 -9.317 -10.623 7.384 1.00 0.00 C ATOM 784 O TRP A 52 -8.676 -9.662 6.959 1.00 0.00 O ATOM 785 CB TRP A 52 -11.300 -11.150 8.904 1.00 0.00 C ATOM 786 CG TRP A 52 -11.174 -10.123 9.989 1.00 0.00 C ATOM 787 CD1 TRP A 52 -10.388 -10.229 11.084 1.00 0.00 C ATOM 788 CD2 TRP A 52 -11.841 -8.830 10.090 1.00 0.00 C ATOM 789 NE1 TRP A 52 -10.540 -9.086 11.848 1.00 0.00 N ATOM 790 CE2 TRP A 52 -11.419 -8.196 11.277 1.00 0.00 C ATOM 791 CE3 TRP A 52 -12.764 -8.158 9.272 1.00 0.00 C ATOM 792 CZ2 TRP A 52 -11.890 -6.937 11.643 1.00 0.00 C ATOM 793 CZ3 TRP A 52 -13.244 -6.889 9.635 1.00 0.00 C ATOM 794 CH2 TRP A 52 -12.806 -6.279 10.819 1.00 0.00 C ATOM 0 H TRP A 52 -11.467 -12.056 6.260 1.00 0.00 H new ATOM 0 HA TRP A 52 -11.065 -9.464 7.610 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -12.333 -11.490 8.825 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -10.694 -12.024 9.141 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -9.748 -11.066 11.322 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -10.057 -8.923 12.731 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -13.107 -8.620 8.358 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -11.549 -6.473 12.557 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -13.954 -6.381 8.999 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -13.176 -5.302 11.093 1.00 0.00 H new ATOM 805 N THR A 53 -8.743 -11.759 7.780 1.00 0.00 N ATOM 806 CA THR A 53 -7.295 -11.981 7.741 1.00 0.00 C ATOM 807 C THR A 53 -6.920 -13.101 6.755 1.00 0.00 C ATOM 808 O THR A 53 -5.801 -13.631 6.811 1.00 0.00 O ATOM 809 CB THR A 53 -6.763 -12.277 9.172 1.00 0.00 C ATOM 810 OG1 THR A 53 -5.574 -13.079 9.124 1.00 0.00 O ATOM 811 CG2 THR A 53 -7.838 -13.008 9.987 1.00 0.00 C ATOM 0 H THR A 53 -9.270 -12.555 8.139 1.00 0.00 H new ATOM 0 HA THR A 53 -6.818 -11.071 7.378 1.00 0.00 H new ATOM 0 HB THR A 53 -6.522 -11.326 9.647 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.170 -13.012 8.234 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.459 -13.212 10.988 1.00 0.00 H new ATOM 0 HG22 THR A 53 -8.729 -12.384 10.057 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.091 -13.948 9.496 1.00 0.00 H new ATOM 819 N ARG A 54 -7.896 -13.538 5.959 1.00 0.00 N ATOM 820 CA ARG A 54 -7.745 -14.693 5.057 1.00 0.00 C ATOM 821 C ARG A 54 -6.291 -14.959 4.667 1.00 0.00 C ATOM 822 O ARG A 54 -5.694 -15.945 5.119 1.00 0.00 O ATOM 823 CB ARG A 54 -8.626 -14.530 3.813 1.00 0.00 C ATOM 824 CG ARG A 54 -9.560 -15.743 3.632 1.00 0.00 C ATOM 825 CD ARG A 54 -11.030 -15.307 3.789 1.00 0.00 C ATOM 826 NE ARG A 54 -11.492 -15.505 5.154 1.00 0.00 N ATOM 827 CZ ARG A 54 -11.978 -16.668 5.587 1.00 0.00 C ATOM 828 NH1 ARG A 54 -12.025 -17.697 4.784 1.00 0.00 N ATOM 829 NH2 ARG A 54 -12.394 -16.776 6.814 1.00 0.00 N ATOM 0 H ARG A 54 -8.818 -13.104 5.917 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.080 -15.569 5.613 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.219 -13.620 3.901 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -7.997 -14.417 2.930 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.407 -16.186 2.648 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -9.319 -16.510 4.368 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -11.132 -14.257 3.516 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -11.657 -15.877 3.103 1.00 0.00 H new ATOM 0 HE ARG A 54 -11.442 -14.722 5.806 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -11.690 -17.611 3.825 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -12.397 -18.587 5.116 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -12.348 -15.973 7.441 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -12.767 -17.664 7.150 1.00 0.00 H new ATOM 843 N ASN A 55 -5.713 -14.080 3.868 1.00 0.00 N ATOM 844 CA ASN A 55 -4.305 -14.217 3.493 1.00 0.00 C ATOM 845 C ASN A 55 -3.495 -13.081 4.057 1.00 0.00 C ATOM 846 O ASN A 55 -3.002 -13.168 5.177 1.00 0.00 O ATOM 847 CB ASN A 55 -4.120 -14.297 1.977 1.00 0.00 C ATOM 848 CG ASN A 55 -2.636 -14.444 1.649 1.00 0.00 C ATOM 849 OD1 ASN A 55 -1.916 -13.449 1.575 1.00 0.00 O ATOM 850 ND2 ASN A 55 -2.136 -15.617 1.449 1.00 0.00 N ATOM 0 H ASN A 55 -6.185 -13.270 3.467 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.948 -15.155 3.918 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.677 -15.144 1.577 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.520 -13.400 1.504 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.145 -15.718 1.230 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.732 -16.443 1.510 1.00 0.00 H new ATOM 857 N ARG A 56 -3.398 -11.995 3.301 1.00 0.00 N ATOM 858 CA ARG A 56 -2.675 -10.831 3.757 1.00 0.00 C ATOM 859 C ARG A 56 -3.624 -9.719 4.170 1.00 0.00 C ATOM 860 O ARG A 56 -4.037 -8.895 3.342 1.00 0.00 O ATOM 861 CB ARG A 56 -1.704 -10.319 2.680 1.00 0.00 C ATOM 862 CG ARG A 56 -2.438 -10.123 1.337 1.00 0.00 C ATOM 863 CD ARG A 56 -1.488 -10.420 0.170 1.00 0.00 C ATOM 864 NE ARG A 56 -0.821 -11.707 0.360 1.00 0.00 N ATOM 865 CZ ARG A 56 0.257 -12.048 -0.348 1.00 0.00 C ATOM 866 NH1 ARG A 56 0.686 -11.259 -1.294 1.00 0.00 N ATOM 867 NH2 ARG A 56 0.863 -13.182 -0.111 1.00 0.00 N ATOM 0 H ARG A 56 -3.812 -11.903 2.373 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.096 -11.134 4.629 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -1.262 -9.376 3.000 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -0.886 -11.028 2.554 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.305 -10.782 1.288 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.810 -9.101 1.263 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.046 -10.429 -0.766 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -0.744 -9.628 0.090 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.189 -12.361 1.051 1.00 0.00 H new ATOM 0 HH11 ARG A 56 0.198 -10.385 -1.490 1.00 0.00 H new ATOM 0 HH12 ARG A 56 1.510 -11.516 -1.838 1.00 0.00 H new ATOM 0 HH21 ARG A 56 0.512 -13.806 0.615 1.00 0.00 H new ATOM 0 HH22 ARG A 56 1.687 -13.443 -0.652 1.00 0.00 H new ATOM 881 N PRO A 57 -3.866 -9.601 5.438 1.00 0.00 N ATOM 882 CA PRO A 57 -4.594 -8.439 5.991 1.00 0.00 C ATOM 883 C PRO A 57 -3.662 -7.245 6.056 1.00 0.00 C ATOM 884 O PRO A 57 -2.466 -7.380 5.791 1.00 0.00 O ATOM 885 CB PRO A 57 -5.037 -8.888 7.385 1.00 0.00 C ATOM 886 CG PRO A 57 -4.110 -10.001 7.745 1.00 0.00 C ATOM 887 CD PRO A 57 -3.754 -10.692 6.429 1.00 0.00 C ATOM 0 HA PRO A 57 -5.448 -8.134 5.386 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -4.970 -8.071 8.103 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -6.074 -9.224 7.381 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -3.217 -9.621 8.240 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.585 -10.697 8.436 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -2.749 -11.113 6.454 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.437 -11.511 6.206 1.00 0.00 H new ATOM 895 N ILE A 58 -4.189 -6.087 6.378 1.00 0.00 N ATOM 896 CA ILE A 58 -3.352 -4.913 6.486 1.00 0.00 C ATOM 897 C ILE A 58 -2.310 -5.132 7.576 1.00 0.00 C ATOM 898 O ILE A 58 -2.485 -4.706 8.721 1.00 0.00 O ATOM 899 CB ILE A 58 -4.217 -3.694 6.805 1.00 0.00 C ATOM 900 CG1 ILE A 58 -5.131 -3.401 5.614 1.00 0.00 C ATOM 901 CG2 ILE A 58 -3.330 -2.480 7.071 1.00 0.00 C ATOM 902 CD1 ILE A 58 -6.242 -2.452 6.035 1.00 0.00 C ATOM 0 H ILE A 58 -5.179 -5.932 6.568 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.839 -4.737 5.541 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.816 -3.900 7.692 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.554 -2.961 4.801 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.558 -4.330 5.235 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.954 -1.616 7.297 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.675 -2.686 7.918 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.726 -2.270 6.188 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.889 -2.248 5.182 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.827 -2.908 6.833 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.807 -1.518 6.392 1.00 0.00 H new ATOM 914 N VAL A 59 -1.264 -5.833 7.222 1.00 0.00 N ATOM 915 CA VAL A 59 -0.201 -6.149 8.138 1.00 0.00 C ATOM 916 C VAL A 59 1.132 -6.011 7.431 1.00 0.00 C ATOM 917 O VAL A 59 1.205 -6.155 6.213 1.00 0.00 O ATOM 918 CB VAL A 59 -0.378 -7.588 8.656 1.00 0.00 C ATOM 919 CG1 VAL A 59 -1.721 -7.702 9.379 1.00 0.00 C ATOM 920 CG2 VAL A 59 -0.360 -8.582 7.478 1.00 0.00 C ATOM 0 H VAL A 59 -1.126 -6.203 6.282 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.229 -5.461 8.983 1.00 0.00 H new ATOM 0 HB VAL A 59 0.439 -7.822 9.339 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.851 -8.720 9.748 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.743 -7.007 10.218 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.528 -7.461 8.687 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.486 -9.597 7.856 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.173 -8.347 6.791 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.592 -8.506 6.952 1.00 0.00 H new ATOM 930 N SER A 60 2.191 -5.900 8.197 1.00 0.00 N ATOM 931 CA SER A 60 3.518 -5.988 7.634 1.00 0.00 C ATOM 932 C SER A 60 4.114 -7.300 8.075 1.00 0.00 C ATOM 933 O SER A 60 4.368 -7.487 9.271 1.00 0.00 O ATOM 934 CB SER A 60 4.409 -4.846 8.133 1.00 0.00 C ATOM 935 OG SER A 60 3.746 -3.589 7.992 1.00 0.00 O ATOM 0 H SER A 60 2.161 -5.750 9.205 1.00 0.00 H new ATOM 0 HA SER A 60 3.455 -5.919 6.548 1.00 0.00 H new ATOM 0 HB2 SER A 60 4.668 -5.011 9.179 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.343 -4.835 7.571 1.00 0.00 H new ATOM 0 HG SER A 60 4.387 -2.863 8.138 1.00 0.00 H new ATOM 941 N THR A 61 4.335 -8.213 7.150 1.00 0.00 N ATOM 942 CA THR A 61 4.906 -9.480 7.536 1.00 0.00 C ATOM 943 C THR A 61 6.327 -9.250 8.009 1.00 0.00 C ATOM 944 O THR A 61 7.242 -9.094 7.188 1.00 0.00 O ATOM 945 CB THR A 61 4.859 -10.492 6.374 1.00 0.00 C ATOM 946 OG1 THR A 61 5.917 -10.233 5.460 1.00 0.00 O ATOM 947 CG2 THR A 61 3.513 -10.396 5.643 1.00 0.00 C ATOM 0 H THR A 61 4.134 -8.105 6.156 1.00 0.00 H new ATOM 0 HA THR A 61 4.320 -9.908 8.349 1.00 0.00 H new ATOM 0 HB THR A 61 4.973 -11.497 6.781 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.443 -9.469 5.776 1.00 0.00 H new ATOM 0 HG21 THR A 61 3.491 -11.115 4.824 1.00 0.00 H new ATOM 0 HG22 THR A 61 2.704 -10.615 6.340 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.386 -9.389 5.245 1.00 0.00 H new ATOM 955 N LYS A 62 6.496 -9.092 9.310 1.00 0.00 N ATOM 956 CA LYS A 62 7.795 -8.747 9.855 1.00 0.00 C ATOM 957 C LYS A 62 8.800 -9.817 9.510 1.00 0.00 C ATOM 958 O LYS A 62 8.647 -10.973 9.915 1.00 0.00 O ATOM 959 CB LYS A 62 7.712 -8.633 11.381 1.00 0.00 C ATOM 960 CG LYS A 62 6.851 -7.434 11.803 1.00 0.00 C ATOM 961 CD LYS A 62 7.626 -6.128 11.573 1.00 0.00 C ATOM 962 CE LYS A 62 7.034 -5.016 12.452 1.00 0.00 C ATOM 963 NZ LYS A 62 7.974 -4.704 13.556 1.00 0.00 N ATOM 0 H LYS A 62 5.755 -9.196 10.004 1.00 0.00 H new ATOM 0 HA LYS A 62 8.105 -7.793 9.428 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.291 -9.550 11.794 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.715 -8.528 11.795 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.923 -7.422 11.231 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.577 -7.524 12.854 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.680 -6.272 11.812 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.573 -5.842 10.523 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.851 -4.124 11.853 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.072 -5.331 12.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.850 -3.714 13.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.781 -5.330 14.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.951 -4.849 13.231 1.00 0.00 H new ATOM 977 N LYS A 63 9.868 -9.423 8.852 1.00 0.00 N ATOM 978 CA LYS A 63 10.956 -10.331 8.575 1.00 0.00 C ATOM 979 C LYS A 63 12.277 -9.629 8.813 1.00 0.00 C ATOM 980 O LYS A 63 12.420 -8.453 8.477 1.00 0.00 O ATOM 981 CB LYS A 63 10.882 -10.868 7.140 1.00 0.00 C ATOM 982 CG LYS A 63 9.589 -11.691 6.974 1.00 0.00 C ATOM 983 CD LYS A 63 9.663 -12.566 5.716 1.00 0.00 C ATOM 984 CE LYS A 63 9.447 -11.718 4.461 1.00 0.00 C ATOM 985 NZ LYS A 63 9.555 -12.579 3.260 1.00 0.00 N ATOM 0 H LYS A 63 10.005 -8.476 8.498 1.00 0.00 H new ATOM 0 HA LYS A 63 10.875 -11.184 9.249 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.896 -10.042 6.429 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.752 -11.488 6.925 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.436 -12.319 7.852 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.731 -11.021 6.908 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.633 -13.060 5.666 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.908 -13.351 5.766 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.467 -11.243 4.494 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.187 -10.919 4.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.408 -12.004 2.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.500 -13.012 3.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.833 -13.326 3.302 1.00 0.00 H new ATOM 999 N LEU A 64 13.245 -10.346 9.347 1.00 0.00 N ATOM 1000 CA LEU A 64 14.564 -9.776 9.576 1.00 0.00 C ATOM 1001 C LEU A 64 15.485 -10.317 8.495 1.00 0.00 C ATOM 1002 O LEU A 64 15.585 -11.538 8.320 1.00 0.00 O ATOM 1003 CB LEU A 64 15.072 -10.201 10.972 1.00 0.00 C ATOM 1004 CG LEU A 64 16.154 -9.227 11.509 1.00 0.00 C ATOM 1005 CD1 LEU A 64 17.090 -8.759 10.392 1.00 0.00 C ATOM 1006 CD2 LEU A 64 15.482 -8.004 12.148 1.00 0.00 C ATOM 0 H LEU A 64 13.147 -11.321 9.631 1.00 0.00 H new ATOM 0 HA LEU A 64 14.534 -8.687 9.539 1.00 0.00 H new ATOM 0 HB2 LEU A 64 14.235 -10.235 11.669 1.00 0.00 H new ATOM 0 HB3 LEU A 64 15.484 -11.209 10.918 1.00 0.00 H new ATOM 0 HG LEU A 64 16.744 -9.762 12.253 1.00 0.00 H new ATOM 0 HD11 LEU A 64 17.835 -8.078 10.803 1.00 0.00 H new ATOM 0 HD12 LEU A 64 17.590 -9.621 9.951 1.00 0.00 H new ATOM 0 HD13 LEU A 64 16.512 -8.244 9.625 1.00 0.00 H new ATOM 0 HD21 LEU A 64 16.246 -7.324 12.523 1.00 0.00 H new ATOM 0 HD22 LEU A 64 14.874 -7.491 11.402 1.00 0.00 H new ATOM 0 HD23 LEU A 64 14.847 -8.327 12.973 1.00 0.00 H new ATOM 1018 N ASP A 65 16.058 -9.431 7.692 1.00 0.00 N ATOM 1019 CA ASP A 65 16.858 -9.864 6.549 1.00 0.00 C ATOM 1020 C ASP A 65 18.328 -9.563 6.749 1.00 0.00 C ATOM 1021 O ASP A 65 18.727 -9.003 7.773 1.00 0.00 O ATOM 1022 CB ASP A 65 16.368 -9.180 5.260 1.00 0.00 C ATOM 1023 CG ASP A 65 16.507 -10.107 4.069 1.00 0.00 C ATOM 1024 OD1 ASP A 65 17.244 -11.064 4.163 1.00 0.00 O ATOM 1025 OD2 ASP A 65 15.877 -9.843 3.067 1.00 0.00 O ATOM 0 H ASP A 65 15.987 -8.420 7.806 1.00 0.00 H new ATOM 0 HA ASP A 65 16.737 -10.944 6.460 1.00 0.00 H new ATOM 0 HB2 ASP A 65 15.326 -8.883 5.375 1.00 0.00 H new ATOM 0 HB3 ASP A 65 16.942 -8.270 5.086 1.00 0.00 H new ATOM 1030 N LYS A 66 19.110 -9.832 5.712 1.00 0.00 N ATOM 1031 CA LYS A 66 20.543 -9.537 5.712 1.00 0.00 C ATOM 1032 C LYS A 66 20.773 -8.058 5.978 1.00 0.00 C ATOM 1033 O LYS A 66 21.893 -7.624 6.264 1.00 0.00 O ATOM 1034 CB LYS A 66 21.153 -9.911 4.354 1.00 0.00 C ATOM 1035 CG LYS A 66 20.603 -8.977 3.251 1.00 0.00 C ATOM 1036 CD LYS A 66 19.501 -9.684 2.457 1.00 0.00 C ATOM 1037 CE LYS A 66 18.458 -8.655 1.984 1.00 0.00 C ATOM 1038 NZ LYS A 66 17.395 -9.335 1.208 1.00 0.00 N ATOM 0 H LYS A 66 18.774 -10.259 4.849 1.00 0.00 H new ATOM 0 HA LYS A 66 21.020 -10.122 6.498 1.00 0.00 H new ATOM 0 HB2 LYS A 66 22.239 -9.832 4.400 1.00 0.00 H new ATOM 0 HB3 LYS A 66 20.918 -10.948 4.114 1.00 0.00 H new ATOM 0 HG2 LYS A 66 20.209 -8.065 3.700 1.00 0.00 H new ATOM 0 HG3 LYS A 66 21.410 -8.680 2.581 1.00 0.00 H new ATOM 0 HD2 LYS A 66 19.932 -10.200 1.599 1.00 0.00 H new ATOM 0 HD3 LYS A 66 19.022 -10.442 3.077 1.00 0.00 H new ATOM 0 HE2 LYS A 66 18.023 -8.144 2.843 1.00 0.00 H new ATOM 0 HE3 LYS A 66 18.938 -7.893 1.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 17.153 -8.762 0.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 17.734 -10.269 0.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 16.551 -9.453 1.804 1.00 0.00 H new ATOM 1052 N GLU A 67 19.703 -7.292 5.852 1.00 0.00 N ATOM 1053 CA GLU A 67 19.742 -5.861 6.028 1.00 0.00 C ATOM 1054 C GLU A 67 20.256 -5.548 7.424 1.00 0.00 C ATOM 1055 O GLU A 67 20.836 -4.487 7.669 1.00 0.00 O ATOM 1056 CB GLU A 67 18.315 -5.311 5.888 1.00 0.00 C ATOM 1057 CG GLU A 67 17.771 -5.621 4.481 1.00 0.00 C ATOM 1058 CD GLU A 67 18.553 -4.872 3.433 1.00 0.00 C ATOM 1059 OE1 GLU A 67 18.625 -3.668 3.533 1.00 0.00 O ATOM 1060 OE2 GLU A 67 19.075 -5.510 2.544 1.00 0.00 O ATOM 0 H GLU A 67 18.778 -7.654 5.623 1.00 0.00 H new ATOM 0 HA GLU A 67 20.396 -5.408 5.282 1.00 0.00 H new ATOM 0 HB2 GLU A 67 17.668 -5.756 6.644 1.00 0.00 H new ATOM 0 HB3 GLU A 67 18.312 -4.235 6.060 1.00 0.00 H new ATOM 0 HG2 GLU A 67 17.830 -6.693 4.290 1.00 0.00 H new ATOM 0 HG3 GLU A 67 16.718 -5.345 4.423 1.00 0.00 H new ATOM 1067 N GLY A 68 19.868 -6.393 8.357 1.00 0.00 N ATOM 1068 CA GLY A 68 20.107 -6.168 9.759 1.00 0.00 C ATOM 1069 C GLY A 68 18.974 -5.340 10.271 1.00 0.00 C ATOM 1070 O GLY A 68 19.102 -4.625 11.263 1.00 0.00 O ATOM 0 H GLY A 68 19.373 -7.262 8.157 1.00 0.00 H new ATOM 0 HA2 GLY A 68 20.166 -7.115 10.296 1.00 0.00 H new ATOM 0 HA3 GLY A 68 21.057 -5.656 9.910 1.00 0.00 H new ATOM 1074 N ARG A 69 17.901 -5.337 9.485 1.00 0.00 N ATOM 1075 CA ARG A 69 16.737 -4.529 9.745 1.00 0.00 C ATOM 1076 C ARG A 69 15.487 -5.344 9.453 1.00 0.00 C ATOM 1077 O ARG A 69 15.507 -6.232 8.594 1.00 0.00 O ATOM 1078 CB ARG A 69 16.792 -3.266 8.870 1.00 0.00 C ATOM 1079 CG ARG A 69 18.193 -2.662 9.036 1.00 0.00 C ATOM 1080 CD ARG A 69 18.182 -1.151 8.847 1.00 0.00 C ATOM 1081 NE ARG A 69 18.310 -0.751 7.447 1.00 0.00 N ATOM 1082 CZ ARG A 69 18.152 0.534 7.085 1.00 0.00 C ATOM 1083 NH1 ARG A 69 17.766 1.417 7.968 1.00 0.00 N ATOM 1084 NH2 ARG A 69 18.385 0.906 5.860 1.00 0.00 N ATOM 0 H ARG A 69 17.825 -5.906 8.642 1.00 0.00 H new ATOM 0 HA ARG A 69 16.713 -4.223 10.791 1.00 0.00 H new ATOM 0 HB2 ARG A 69 16.600 -3.512 7.826 1.00 0.00 H new ATOM 0 HB3 ARG A 69 16.026 -2.553 9.175 1.00 0.00 H new ATOM 0 HG2 ARG A 69 18.577 -2.902 10.027 1.00 0.00 H new ATOM 0 HG3 ARG A 69 18.872 -3.114 8.313 1.00 0.00 H new ATOM 0 HD2 ARG A 69 17.254 -0.746 9.252 1.00 0.00 H new ATOM 0 HD3 ARG A 69 18.998 -0.712 9.421 1.00 0.00 H new ATOM 0 HE ARG A 69 18.521 -1.453 6.738 1.00 0.00 H new ATOM 0 HH11 ARG A 69 17.585 1.131 8.930 1.00 0.00 H new ATOM 0 HH12 ARG A 69 17.646 2.392 7.695 1.00 0.00 H new ATOM 0 HH21 ARG A 69 18.689 0.221 5.168 1.00 0.00 H new ATOM 0 HH22 ARG A 69 18.263 1.882 5.592 1.00 0.00 H new ATOM 1098 N THR A 70 14.426 -5.074 10.179 1.00 0.00 N ATOM 1099 CA THR A 70 13.183 -5.814 10.004 1.00 0.00 C ATOM 1100 C THR A 70 12.415 -5.265 8.806 1.00 0.00 C ATOM 1101 O THR A 70 12.145 -4.078 8.741 1.00 0.00 O ATOM 1102 CB THR A 70 12.334 -5.706 11.269 1.00 0.00 C ATOM 1103 OG1 THR A 70 13.117 -6.063 12.409 1.00 0.00 O ATOM 1104 CG2 THR A 70 11.115 -6.622 11.168 1.00 0.00 C ATOM 0 H THR A 70 14.392 -4.350 10.897 1.00 0.00 H new ATOM 0 HA THR A 70 13.414 -6.864 9.822 1.00 0.00 H new ATOM 0 HB THR A 70 11.991 -4.677 11.377 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.569 -5.991 13.218 1.00 0.00 H new ATOM 0 HG21 THR A 70 10.519 -6.535 12.076 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.511 -6.331 10.308 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.444 -7.654 11.047 1.00 0.00 H new ATOM 1112 N HIS A 71 12.059 -6.135 7.878 1.00 0.00 N ATOM 1113 CA HIS A 71 11.338 -5.733 6.669 1.00 0.00 C ATOM 1114 C HIS A 71 9.840 -5.736 6.902 1.00 0.00 C ATOM 1115 O HIS A 71 9.273 -6.740 7.349 1.00 0.00 O ATOM 1116 CB HIS A 71 11.669 -6.688 5.511 1.00 0.00 C ATOM 1117 CG HIS A 71 11.495 -6.005 4.161 1.00 0.00 C ATOM 1118 ND1 HIS A 71 12.578 -5.672 3.362 1.00 0.00 N ATOM 1119 CD2 HIS A 71 10.372 -5.638 3.435 1.00 0.00 C ATOM 1120 CE1 HIS A 71 12.097 -5.141 2.219 1.00 0.00 C ATOM 1121 NE2 HIS A 71 10.761 -5.100 2.209 1.00 0.00 N ATOM 0 H HIS A 71 12.256 -7.134 7.934 1.00 0.00 H new ATOM 0 HA HIS A 71 11.654 -4.721 6.414 1.00 0.00 H new ATOM 0 HB2 HIS A 71 12.695 -7.043 5.612 1.00 0.00 H new ATOM 0 HB3 HIS A 71 11.022 -7.564 5.563 1.00 0.00 H new ATOM 0 HD2 HIS A 71 9.351 -5.752 3.769 1.00 0.00 H new ATOM 0 HE1 HIS A 71 12.718 -4.790 1.408 1.00 0.00 H new ATOM 0 HE2 HIS A 71 10.157 -4.751 1.465 1.00 0.00 H new ATOM 1130 N HIS A 72 9.197 -4.672 6.477 1.00 0.00 N ATOM 1131 CA HIS A 72 7.756 -4.582 6.482 1.00 0.00 C ATOM 1132 C HIS A 72 7.254 -4.951 5.109 1.00 0.00 C ATOM 1133 O HIS A 72 7.378 -4.163 4.180 1.00 0.00 O ATOM 1134 CB HIS A 72 7.302 -3.134 6.765 1.00 0.00 C ATOM 1135 CG HIS A 72 7.214 -2.857 8.235 1.00 0.00 C ATOM 1136 ND1 HIS A 72 5.994 -2.762 8.896 1.00 0.00 N ATOM 1137 CD2 HIS A 72 8.175 -2.624 9.179 1.00 0.00 C ATOM 1138 CE1 HIS A 72 6.260 -2.478 10.186 1.00 0.00 C ATOM 1139 NE2 HIS A 72 7.577 -2.382 10.413 1.00 0.00 N ATOM 0 H HIS A 72 9.663 -3.840 6.116 1.00 0.00 H new ATOM 0 HA HIS A 72 7.365 -5.247 7.252 1.00 0.00 H new ATOM 0 HB2 HIS A 72 8.002 -2.437 6.305 1.00 0.00 H new ATOM 0 HB3 HIS A 72 6.330 -2.961 6.303 1.00 0.00 H new ATOM 0 HD2 HIS A 72 9.239 -2.627 8.995 1.00 0.00 H new ATOM 0 HE1 HIS A 72 5.503 -2.344 10.945 1.00 0.00 H new ATOM 0 HE2 HIS A 72 8.041 -2.176 11.298 1.00 0.00 H new ATOM 1148 N TYR A 73 6.611 -6.087 5.001 1.00 0.00 N ATOM 1149 CA TYR A 73 5.958 -6.459 3.766 1.00 0.00 C ATOM 1150 C TYR A 73 4.473 -6.277 3.949 1.00 0.00 C ATOM 1151 O TYR A 73 3.822 -7.099 4.600 1.00 0.00 O ATOM 1152 CB TYR A 73 6.267 -7.919 3.392 1.00 0.00 C ATOM 1153 CG TYR A 73 7.721 -8.061 2.985 1.00 0.00 C ATOM 1154 CD1 TYR A 73 8.108 -7.714 1.688 1.00 0.00 C ATOM 1155 CD2 TYR A 73 8.680 -8.534 3.900 1.00 0.00 C ATOM 1156 CE1 TYR A 73 9.440 -7.835 1.294 1.00 0.00 C ATOM 1157 CE2 TYR A 73 10.019 -8.651 3.499 1.00 0.00 C ATOM 1158 CZ TYR A 73 10.396 -8.301 2.195 1.00 0.00 C ATOM 1159 OH TYR A 73 11.718 -8.407 1.801 1.00 0.00 O ATOM 0 H TYR A 73 6.524 -6.772 5.752 1.00 0.00 H new ATOM 0 HA TYR A 73 6.326 -5.828 2.957 1.00 0.00 H new ATOM 0 HB2 TYR A 73 6.054 -8.571 4.239 1.00 0.00 H new ATOM 0 HB3 TYR A 73 5.620 -8.237 2.574 1.00 0.00 H new ATOM 0 HD1 TYR A 73 7.371 -7.350 0.987 1.00 0.00 H new ATOM 0 HD2 TYR A 73 8.387 -8.805 4.904 1.00 0.00 H new ATOM 0 HE1 TYR A 73 9.731 -7.567 0.289 1.00 0.00 H new ATOM 0 HE2 TYR A 73 10.761 -9.011 4.196 1.00 0.00 H new ATOM 0 HH TYR A 73 12.255 -8.746 2.547 1.00 0.00 H new ATOM 1169 N MET A 74 3.967 -5.139 3.502 1.00 0.00 N ATOM 1170 CA MET A 74 2.568 -4.800 3.695 1.00 0.00 C ATOM 1171 C MET A 74 1.945 -4.318 2.404 1.00 0.00 C ATOM 1172 O MET A 74 2.469 -3.418 1.739 1.00 0.00 O ATOM 1173 CB MET A 74 2.412 -3.721 4.784 1.00 0.00 C ATOM 1174 CG MET A 74 0.970 -3.171 4.782 1.00 0.00 C ATOM 1175 SD MET A 74 0.915 -1.627 3.837 1.00 0.00 S ATOM 1176 CE MET A 74 1.699 -0.562 5.076 1.00 0.00 C ATOM 0 H MET A 74 4.507 -4.433 3.002 1.00 0.00 H new ATOM 0 HA MET A 74 2.050 -5.704 4.017 1.00 0.00 H new ATOM 0 HB2 MET A 74 2.647 -4.143 5.761 1.00 0.00 H new ATOM 0 HB3 MET A 74 3.119 -2.910 4.608 1.00 0.00 H new ATOM 0 HG2 MET A 74 0.291 -3.902 4.344 1.00 0.00 H new ATOM 0 HG3 MET A 74 0.634 -2.997 5.804 1.00 0.00 H new ATOM 0 HE1 MET A 74 1.654 0.475 4.745 1.00 0.00 H new ATOM 0 HE2 MET A 74 1.175 -0.662 6.026 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.740 -0.858 5.203 1.00 0.00 H new ATOM 1186 N ARG A 75 0.771 -4.826 2.122 1.00 0.00 N ATOM 1187 CA ARG A 75 -0.015 -4.358 1.011 1.00 0.00 C ATOM 1188 C ARG A 75 -1.482 -4.434 1.366 1.00 0.00 C ATOM 1189 O ARG A 75 -1.886 -5.275 2.174 1.00 0.00 O ATOM 1190 CB ARG A 75 0.270 -5.168 -0.261 1.00 0.00 C ATOM 1191 CG ARG A 75 -0.173 -6.628 -0.066 1.00 0.00 C ATOM 1192 CD ARG A 75 -0.945 -7.080 -1.305 1.00 0.00 C ATOM 1193 NE ARG A 75 -0.056 -7.189 -2.456 1.00 0.00 N ATOM 1194 CZ ARG A 75 -0.531 -7.274 -3.697 1.00 0.00 C ATOM 1195 NH1 ARG A 75 -1.817 -7.237 -3.898 1.00 0.00 N ATOM 1196 NH2 ARG A 75 0.283 -7.394 -4.702 1.00 0.00 N ATOM 0 H ARG A 75 0.334 -5.576 2.658 1.00 0.00 H new ATOM 0 HA ARG A 75 0.259 -3.323 0.807 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.258 -4.729 -1.107 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.334 -5.130 -0.495 1.00 0.00 H new ATOM 0 HG2 ARG A 75 0.695 -7.268 0.091 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.799 -6.717 0.822 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.419 -8.043 -1.113 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.743 -6.370 -1.522 1.00 0.00 H new ATOM 0 HE ARG A 75 0.953 -7.200 -2.307 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.454 -7.143 -3.107 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.187 -7.302 -4.846 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.290 -7.423 -4.542 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.085 -7.459 -5.651 1.00 0.00 H new ATOM 1210 N PHE A 76 -2.267 -3.568 0.788 1.00 0.00 N ATOM 1211 CA PHE A 76 -3.691 -3.561 1.042 1.00 0.00 C ATOM 1212 C PHE A 76 -4.478 -3.042 -0.136 1.00 0.00 C ATOM 1213 O PHE A 76 -3.947 -2.331 -0.994 1.00 0.00 O ATOM 1214 CB PHE A 76 -4.025 -2.797 2.333 1.00 0.00 C ATOM 1215 CG PHE A 76 -3.472 -1.384 2.290 1.00 0.00 C ATOM 1216 CD1 PHE A 76 -4.243 -0.329 1.778 1.00 0.00 C ATOM 1217 CD2 PHE A 76 -2.185 -1.132 2.782 1.00 0.00 C ATOM 1218 CE1 PHE A 76 -3.721 0.972 1.762 1.00 0.00 C ATOM 1219 CE2 PHE A 76 -1.669 0.165 2.761 1.00 0.00 C ATOM 1220 CZ PHE A 76 -2.435 1.217 2.253 1.00 0.00 C ATOM 0 H PHE A 76 -1.948 -2.853 0.134 1.00 0.00 H new ATOM 0 HA PHE A 76 -3.995 -4.598 1.186 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -5.106 -2.764 2.470 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.611 -3.327 3.191 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -5.236 -0.519 1.397 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.591 -1.942 3.178 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -4.313 1.786 1.370 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.675 0.356 3.138 1.00 0.00 H new ATOM 0 HZ PHE A 76 -2.034 2.220 2.240 1.00 0.00 H new ATOM 1230 N HIS A 77 -5.752 -3.369 -0.155 1.00 0.00 N ATOM 1231 CA HIS A 77 -6.647 -2.906 -1.192 1.00 0.00 C ATOM 1232 C HIS A 77 -7.448 -1.740 -0.696 1.00 0.00 C ATOM 1233 O HIS A 77 -7.857 -1.720 0.462 1.00 0.00 O ATOM 1234 CB HIS A 77 -7.588 -4.029 -1.658 1.00 0.00 C ATOM 1235 CG HIS A 77 -7.106 -4.575 -2.970 1.00 0.00 C ATOM 1236 ND1 HIS A 77 -7.052 -3.790 -4.100 1.00 0.00 N ATOM 1237 CD2 HIS A 77 -6.676 -5.817 -3.358 1.00 0.00 C ATOM 1238 CE1 HIS A 77 -6.606 -4.557 -5.108 1.00 0.00 C ATOM 1239 NE2 HIS A 77 -6.362 -5.803 -4.707 1.00 0.00 N ATOM 0 H HIS A 77 -6.195 -3.962 0.547 1.00 0.00 H new ATOM 0 HA HIS A 77 -6.044 -2.594 -2.044 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -7.621 -4.823 -0.912 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -8.604 -3.647 -1.762 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -7.305 -2.804 -4.160 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -6.594 -6.677 -2.710 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -6.463 -4.206 -6.119 1.00 0.00 H new ATOM 1248 N VAL A 78 -7.692 -0.786 -1.577 1.00 0.00 N ATOM 1249 CA VAL A 78 -8.481 0.386 -1.253 1.00 0.00 C ATOM 1250 C VAL A 78 -9.541 0.576 -2.322 1.00 0.00 C ATOM 1251 O VAL A 78 -9.350 0.171 -3.472 1.00 0.00 O ATOM 1252 CB VAL A 78 -7.579 1.638 -1.136 1.00 0.00 C ATOM 1253 CG1 VAL A 78 -6.685 1.774 -2.374 1.00 0.00 C ATOM 1254 CG2 VAL A 78 -8.433 2.908 -0.975 1.00 0.00 C ATOM 0 H VAL A 78 -7.348 -0.803 -2.537 1.00 0.00 H new ATOM 0 HA VAL A 78 -8.966 0.244 -0.288 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.950 1.519 -0.254 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.058 2.660 -2.274 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.053 0.890 -2.465 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -7.308 1.869 -3.264 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.781 3.777 -0.894 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -9.083 3.022 -1.842 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -9.041 2.826 -0.074 1.00 0.00 H new ATOM 1264 N GLU A 79 -10.673 1.124 -1.944 1.00 0.00 N ATOM 1265 CA GLU A 79 -11.774 1.254 -2.874 1.00 0.00 C ATOM 1266 C GLU A 79 -11.917 2.666 -3.401 1.00 0.00 C ATOM 1267 O GLU A 79 -12.145 3.620 -2.650 1.00 0.00 O ATOM 1268 CB GLU A 79 -13.071 0.763 -2.238 1.00 0.00 C ATOM 1269 CG GLU A 79 -12.997 -0.766 -2.087 1.00 0.00 C ATOM 1270 CD GLU A 79 -14.201 -1.306 -1.344 1.00 0.00 C ATOM 1271 OE1 GLU A 79 -15.050 -0.529 -0.965 1.00 0.00 O ATOM 1272 OE2 GLU A 79 -14.266 -2.500 -1.175 1.00 0.00 O ATOM 0 H GLU A 79 -10.856 1.485 -1.008 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.552 0.624 -3.735 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -13.216 1.232 -1.265 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -13.924 1.041 -2.857 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -12.938 -1.228 -3.072 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -12.086 -1.037 -1.553 1.00 0.00 H new ATOM 1279 N SER A 80 -11.816 2.766 -4.711 1.00 0.00 N ATOM 1280 CA SER A 80 -11.967 4.010 -5.433 1.00 0.00 C ATOM 1281 C SER A 80 -13.432 4.234 -5.727 1.00 0.00 C ATOM 1282 O SER A 80 -14.280 3.412 -5.367 1.00 0.00 O ATOM 1283 CB SER A 80 -11.174 3.938 -6.741 1.00 0.00 C ATOM 1284 OG SER A 80 -9.898 3.365 -6.484 1.00 0.00 O ATOM 0 H SER A 80 -11.623 1.967 -5.315 1.00 0.00 H new ATOM 0 HA SER A 80 -11.588 4.838 -4.834 1.00 0.00 H new ATOM 0 HB2 SER A 80 -11.714 3.339 -7.475 1.00 0.00 H new ATOM 0 HB3 SER A 80 -11.059 4.935 -7.166 1.00 0.00 H new ATOM 0 HG SER A 80 -9.981 2.390 -6.438 1.00 0.00 H new ATOM 1290 N LYS A 81 -13.750 5.363 -6.327 1.00 0.00 N ATOM 1291 CA LYS A 81 -15.143 5.686 -6.570 1.00 0.00 C ATOM 1292 C LYS A 81 -15.752 4.688 -7.534 1.00 0.00 C ATOM 1293 O LYS A 81 -16.950 4.414 -7.481 1.00 0.00 O ATOM 1294 CB LYS A 81 -15.268 7.080 -7.182 1.00 0.00 C ATOM 1295 CG LYS A 81 -14.529 8.094 -6.325 1.00 0.00 C ATOM 1296 CD LYS A 81 -15.076 8.054 -4.916 1.00 0.00 C ATOM 1297 CE LYS A 81 -14.714 9.331 -4.149 1.00 0.00 C ATOM 1298 NZ LYS A 81 -14.109 10.353 -5.037 1.00 0.00 N ATOM 0 H LYS A 81 -13.079 6.060 -6.650 1.00 0.00 H new ATOM 0 HA LYS A 81 -15.667 5.652 -5.615 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -14.860 7.080 -8.193 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -16.319 7.357 -7.263 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -13.462 7.873 -6.319 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -14.645 9.094 -6.744 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -16.159 7.938 -4.946 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -14.677 7.185 -4.392 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -15.609 9.740 -3.681 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -14.017 9.088 -3.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.665 11.095 -4.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -13.389 9.906 -5.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -14.848 10.775 -5.635 1.00 0.00 H new ATOM 1312 N LYS A 82 -14.943 4.235 -8.483 1.00 0.00 N ATOM 1313 CA LYS A 82 -15.430 3.363 -9.540 1.00 0.00 C ATOM 1314 C LYS A 82 -14.684 2.023 -9.537 1.00 0.00 C ATOM 1315 O LYS A 82 -15.103 1.077 -10.193 1.00 0.00 O ATOM 1316 CB LYS A 82 -15.248 4.055 -10.908 1.00 0.00 C ATOM 1317 CG LYS A 82 -15.684 5.543 -10.828 1.00 0.00 C ATOM 1318 CD LYS A 82 -17.172 5.654 -10.463 1.00 0.00 C ATOM 1319 CE LYS A 82 -17.588 7.132 -10.365 1.00 0.00 C ATOM 1320 NZ LYS A 82 -19.015 7.222 -9.974 1.00 0.00 N ATOM 0 H LYS A 82 -13.949 4.457 -8.541 1.00 0.00 H new ATOM 0 HA LYS A 82 -16.487 3.167 -9.363 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -14.205 3.992 -11.218 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -15.837 3.538 -11.665 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -15.082 6.064 -10.083 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -15.502 6.032 -11.785 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -17.777 5.148 -11.215 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -17.359 5.153 -9.513 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -16.967 7.647 -9.633 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -17.431 7.629 -11.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -19.586 7.486 -10.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -19.335 6.301 -9.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -19.127 7.942 -9.232 1.00 0.00 H new ATOM 1334 N LYS A 83 -13.517 1.997 -8.897 1.00 0.00 N ATOM 1335 CA LYS A 83 -12.630 0.824 -8.920 1.00 0.00 C ATOM 1336 C LYS A 83 -12.105 0.481 -7.530 1.00 0.00 C ATOM 1337 O LYS A 83 -12.062 1.325 -6.641 1.00 0.00 O ATOM 1338 CB LYS A 83 -11.435 1.078 -9.847 1.00 0.00 C ATOM 1339 CG LYS A 83 -11.899 1.257 -11.301 1.00 0.00 C ATOM 1340 CD LYS A 83 -12.397 -0.082 -11.856 1.00 0.00 C ATOM 1341 CE LYS A 83 -12.848 0.101 -13.311 1.00 0.00 C ATOM 1342 NZ LYS A 83 -13.237 -1.212 -13.880 1.00 0.00 N ATOM 0 H LYS A 83 -13.157 2.779 -8.350 1.00 0.00 H new ATOM 0 HA LYS A 83 -13.221 -0.015 -9.287 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.898 1.969 -9.520 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -10.736 0.244 -9.784 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -12.695 2.000 -11.349 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -11.077 1.631 -11.911 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.604 -0.828 -11.801 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -13.225 -0.453 -11.252 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.689 0.792 -13.357 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -12.042 0.540 -13.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -13.542 -1.086 -14.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -12.423 -1.859 -13.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -14.019 -1.613 -13.324 1.00 0.00 H new ATOM 1356 N ILE A 84 -11.601 -0.729 -7.394 1.00 0.00 N ATOM 1357 CA ILE A 84 -10.944 -1.165 -6.173 1.00 0.00 C ATOM 1358 C ILE A 84 -9.442 -1.202 -6.456 1.00 0.00 C ATOM 1359 O ILE A 84 -9.017 -1.800 -7.446 1.00 0.00 O ATOM 1360 CB ILE A 84 -11.460 -2.561 -5.815 1.00 0.00 C ATOM 1361 CG1 ILE A 84 -12.988 -2.505 -5.696 1.00 0.00 C ATOM 1362 CG2 ILE A 84 -10.863 -3.016 -4.473 1.00 0.00 C ATOM 1363 CD1 ILE A 84 -13.552 -3.913 -5.722 1.00 0.00 C ATOM 0 H ILE A 84 -11.634 -1.439 -8.125 1.00 0.00 H new ATOM 0 HA ILE A 84 -11.148 -0.494 -5.339 1.00 0.00 H new ATOM 0 HB ILE A 84 -11.166 -3.268 -6.591 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -13.273 -2.005 -4.770 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -13.406 -1.920 -6.515 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -11.236 -4.010 -4.227 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -9.776 -3.045 -4.549 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -11.153 -2.316 -3.690 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -14.638 -3.872 -5.637 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -13.279 -4.397 -6.660 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -13.145 -4.484 -4.887 1.00 0.00 H new ATOM 1375 N ALA A 85 -8.662 -0.479 -5.667 1.00 0.00 N ATOM 1376 CA ALA A 85 -7.230 -0.326 -5.933 1.00 0.00 C ATOM 1377 C ALA A 85 -6.381 -1.063 -4.919 1.00 0.00 C ATOM 1378 O ALA A 85 -6.843 -1.393 -3.828 1.00 0.00 O ATOM 1379 CB ALA A 85 -6.840 1.158 -5.962 1.00 0.00 C ATOM 0 H ALA A 85 -8.991 0.013 -4.836 1.00 0.00 H new ATOM 0 HA ALA A 85 -7.039 -0.767 -6.911 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.772 1.250 -6.161 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.400 1.666 -6.747 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.070 1.614 -4.999 1.00 0.00 H new ATOM 1385 N LEU A 86 -5.142 -1.323 -5.301 1.00 0.00 N ATOM 1386 CA LEU A 86 -4.170 -2.034 -4.477 1.00 0.00 C ATOM 1387 C LEU A 86 -3.048 -1.107 -4.045 1.00 0.00 C ATOM 1388 O LEU A 86 -2.434 -0.441 -4.882 1.00 0.00 O ATOM 1389 CB LEU A 86 -3.591 -3.209 -5.286 1.00 0.00 C ATOM 1390 CG LEU A 86 -2.283 -3.730 -4.666 1.00 0.00 C ATOM 1391 CD1 LEU A 86 -2.550 -4.347 -3.304 1.00 0.00 C ATOM 1392 CD2 LEU A 86 -1.667 -4.780 -5.590 1.00 0.00 C ATOM 0 H LEU A 86 -4.773 -1.042 -6.209 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.669 -2.406 -3.582 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.321 -4.017 -5.330 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.407 -2.890 -6.312 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.593 -2.895 -4.543 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.614 -4.711 -2.879 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.981 -3.596 -2.642 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.247 -5.178 -3.411 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.740 -5.151 -5.153 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.365 -5.608 -5.716 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.456 -4.332 -6.561 1.00 0.00 H new ATOM 1404 N VAL A 87 -2.720 -1.132 -2.763 1.00 0.00 N ATOM 1405 CA VAL A 87 -1.593 -0.375 -2.251 1.00 0.00 C ATOM 1406 C VAL A 87 -0.569 -1.360 -1.672 1.00 0.00 C ATOM 1407 O VAL A 87 -0.922 -2.224 -0.858 1.00 0.00 O ATOM 1408 CB VAL A 87 -2.071 0.597 -1.152 1.00 0.00 C ATOM 1409 CG1 VAL A 87 -0.869 1.277 -0.483 1.00 0.00 C ATOM 1410 CG2 VAL A 87 -3.015 1.660 -1.746 1.00 0.00 C ATOM 0 H VAL A 87 -3.221 -1.671 -2.057 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.137 0.206 -3.053 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.616 0.026 -0.401 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.221 1.960 0.290 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -0.227 0.520 -0.033 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.304 1.835 -1.230 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.343 2.337 -0.957 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.488 2.226 -2.514 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.883 1.170 -2.187 1.00 0.00 H new ATOM 1420 N HIS A 88 0.683 -1.236 -2.099 1.00 0.00 N ATOM 1421 CA HIS A 88 1.755 -2.118 -1.626 1.00 0.00 C ATOM 1422 C HIS A 88 2.912 -1.280 -1.120 1.00 0.00 C ATOM 1423 O HIS A 88 3.438 -0.433 -1.854 1.00 0.00 O ATOM 1424 CB HIS A 88 2.204 -3.061 -2.769 1.00 0.00 C ATOM 1425 CG HIS A 88 3.496 -3.793 -2.436 1.00 0.00 C ATOM 1426 ND1 HIS A 88 4.284 -4.364 -3.426 1.00 0.00 N ATOM 1427 CD2 HIS A 88 4.149 -4.056 -1.247 1.00 0.00 C ATOM 1428 CE1 HIS A 88 5.347 -4.933 -2.829 1.00 0.00 C ATOM 1429 NE2 HIS A 88 5.321 -4.779 -1.507 1.00 0.00 N ATOM 0 H HIS A 88 0.985 -0.533 -2.773 1.00 0.00 H new ATOM 0 HA HIS A 88 1.390 -2.734 -0.804 1.00 0.00 H new ATOM 0 HB2 HIS A 88 1.417 -3.789 -2.968 1.00 0.00 H new ATOM 0 HB3 HIS A 88 2.341 -2.482 -3.682 1.00 0.00 H new ATOM 0 HD1 HIS A 88 4.091 -4.354 -4.428 1.00 0.00 H new ATOM 0 HD2 HIS A 88 3.809 -3.751 -0.268 1.00 0.00 H new ATOM 0 HE1 HIS A 88 6.130 -5.454 -3.360 1.00 0.00 H new ATOM 1438 N LEU A 89 3.264 -1.462 0.149 1.00 0.00 N ATOM 1439 CA LEU A 89 4.333 -0.690 0.763 1.00 0.00 C ATOM 1440 C LEU A 89 5.309 -1.582 1.499 1.00 0.00 C ATOM 1441 O LEU A 89 4.920 -2.363 2.376 1.00 0.00 O ATOM 1442 CB LEU A 89 3.765 0.368 1.725 1.00 0.00 C ATOM 1443 CG LEU A 89 4.924 1.139 2.396 1.00 0.00 C ATOM 1444 CD1 LEU A 89 4.510 2.588 2.669 1.00 0.00 C ATOM 1445 CD2 LEU A 89 5.297 0.461 3.724 1.00 0.00 C ATOM 0 H LEU A 89 2.822 -2.139 0.771 1.00 0.00 H new ATOM 0 HA LEU A 89 4.869 -0.185 -0.041 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.122 1.060 1.181 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.147 -0.111 2.484 1.00 0.00 H new ATOM 0 HG LEU A 89 5.783 1.132 1.725 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.336 3.119 3.142 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.255 3.077 1.729 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.644 2.600 3.331 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.115 1.007 4.194 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.432 0.460 4.387 1.00 0.00 H new ATOM 0 HD23 LEU A 89 5.609 -0.566 3.533 1.00 0.00 H new ATOM 1457 N GLU A 90 6.581 -1.383 1.225 1.00 0.00 N ATOM 1458 CA GLU A 90 7.629 -2.061 1.947 1.00 0.00 C ATOM 1459 C GLU A 90 8.519 -1.092 2.676 1.00 0.00 C ATOM 1460 O GLU A 90 8.910 -0.051 2.133 1.00 0.00 O ATOM 1461 CB GLU A 90 8.443 -2.957 1.036 1.00 0.00 C ATOM 1462 CG GLU A 90 7.628 -4.211 0.711 1.00 0.00 C ATOM 1463 CD GLU A 90 8.378 -5.096 -0.246 1.00 0.00 C ATOM 1464 OE1 GLU A 90 9.583 -4.970 -0.312 1.00 0.00 O ATOM 1465 OE2 GLU A 90 7.749 -5.917 -0.877 1.00 0.00 O ATOM 0 H GLU A 90 6.913 -0.749 0.498 1.00 0.00 H new ATOM 0 HA GLU A 90 7.144 -2.692 2.692 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.700 -2.427 0.119 1.00 0.00 H new ATOM 0 HB3 GLU A 90 9.381 -3.232 1.519 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.412 -4.759 1.628 1.00 0.00 H new ATOM 0 HG3 GLU A 90 6.670 -3.926 0.277 1.00 0.00 H new ATOM 1472 N ALA A 91 8.877 -1.459 3.884 1.00 0.00 N ATOM 1473 CA ALA A 91 9.756 -0.659 4.704 1.00 0.00 C ATOM 1474 C ALA A 91 10.587 -1.555 5.583 1.00 0.00 C ATOM 1475 O ALA A 91 10.205 -2.683 5.828 1.00 0.00 O ATOM 1476 CB ALA A 91 8.956 0.331 5.555 1.00 0.00 C ATOM 0 H ALA A 91 8.566 -2.323 4.327 1.00 0.00 H new ATOM 0 HA ALA A 91 10.416 -0.086 4.052 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.640 0.922 6.164 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.385 0.993 4.903 1.00 0.00 H new ATOM 0 HB3 ALA A 91 8.273 -0.216 6.204 1.00 0.00 H new ATOM 1482 N LYS A 92 11.719 -1.068 6.058 1.00 0.00 N ATOM 1483 CA LYS A 92 12.546 -1.880 6.946 1.00 0.00 C ATOM 1484 C LYS A 92 12.917 -1.159 8.226 1.00 0.00 C ATOM 1485 O LYS A 92 13.278 0.020 8.199 1.00 0.00 O ATOM 1486 CB LYS A 92 13.770 -2.474 6.232 1.00 0.00 C ATOM 1487 CG LYS A 92 14.591 -1.389 5.529 1.00 0.00 C ATOM 1488 CD LYS A 92 15.701 -2.071 4.708 1.00 0.00 C ATOM 1489 CE LYS A 92 16.407 -1.039 3.828 1.00 0.00 C ATOM 1490 NZ LYS A 92 17.367 -1.717 2.923 1.00 0.00 N ATOM 0 H LYS A 92 12.084 -0.138 5.853 1.00 0.00 H new ATOM 0 HA LYS A 92 11.925 -2.724 7.244 1.00 0.00 H new ATOM 0 HB2 LYS A 92 14.397 -2.995 6.955 1.00 0.00 H new ATOM 0 HB3 LYS A 92 13.443 -3.214 5.502 1.00 0.00 H new ATOM 0 HG2 LYS A 92 13.952 -0.792 4.879 1.00 0.00 H new ATOM 0 HG3 LYS A 92 15.025 -0.708 6.261 1.00 0.00 H new ATOM 0 HD2 LYS A 92 16.420 -2.545 5.376 1.00 0.00 H new ATOM 0 HD3 LYS A 92 15.274 -2.859 4.088 1.00 0.00 H new ATOM 0 HE2 LYS A 92 15.673 -0.484 3.244 1.00 0.00 H new ATOM 0 HE3 LYS A 92 16.931 -0.315 4.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 17.995 -1.010 2.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 17.935 -2.398 3.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 16.845 -2.220 2.177 1.00 0.00 H new ATOM 1504 N GLU A 93 12.761 -1.863 9.350 1.00 0.00 N ATOM 1505 CA GLU A 93 13.014 -1.308 10.676 1.00 0.00 C ATOM 1506 C GLU A 93 14.474 -1.507 11.038 1.00 0.00 C ATOM 1507 O GLU A 93 14.931 -2.653 11.190 1.00 0.00 O ATOM 1508 CB GLU A 93 12.149 -2.034 11.734 1.00 0.00 C ATOM 1509 CG GLU A 93 10.677 -2.061 11.288 1.00 0.00 C ATOM 1510 CD GLU A 93 9.798 -2.778 12.300 1.00 0.00 C ATOM 1511 OE1 GLU A 93 10.173 -3.829 12.766 1.00 0.00 O ATOM 1512 OE2 GLU A 93 8.741 -2.270 12.589 1.00 0.00 O ATOM 0 H GLU A 93 12.455 -2.836 9.363 1.00 0.00 H new ATOM 0 HA GLU A 93 12.765 -0.247 10.661 1.00 0.00 H new ATOM 0 HB2 GLU A 93 12.513 -3.052 11.876 1.00 0.00 H new ATOM 0 HB3 GLU A 93 12.236 -1.528 12.695 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.319 -1.041 11.153 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.598 -2.557 10.321 1.00 0.00 H new ATOM 1519 N SER A 94 15.177 -0.420 11.261 1.00 0.00 N ATOM 1520 CA SER A 94 16.546 -0.496 11.723 1.00 0.00 C ATOM 1521 C SER A 94 16.558 -0.925 13.178 1.00 0.00 C ATOM 1522 O SER A 94 15.516 -0.943 13.831 1.00 0.00 O ATOM 1523 CB SER A 94 17.256 0.845 11.536 1.00 0.00 C ATOM 1524 OG SER A 94 17.045 1.304 10.197 1.00 0.00 O ATOM 0 H SER A 94 14.824 0.528 11.130 1.00 0.00 H new ATOM 0 HA SER A 94 17.087 -1.235 11.132 1.00 0.00 H new ATOM 0 HB2 SER A 94 16.873 1.576 12.249 1.00 0.00 H new ATOM 0 HB3 SER A 94 18.323 0.736 11.733 1.00 0.00 H new ATOM 0 HG SER A 94 17.205 2.270 10.153 1.00 0.00 H new ATOM 1530 N LYS A 95 17.709 -1.335 13.668 1.00 0.00 N ATOM 1531 CA LYS A 95 17.789 -1.847 15.023 1.00 0.00 C ATOM 1532 C LYS A 95 17.380 -0.778 16.010 1.00 0.00 C ATOM 1533 O LYS A 95 16.765 -1.065 17.041 1.00 0.00 O ATOM 1534 CB LYS A 95 19.224 -2.275 15.348 1.00 0.00 C ATOM 1535 CG LYS A 95 19.698 -3.438 14.457 1.00 0.00 C ATOM 1536 CD LYS A 95 18.541 -4.396 14.101 1.00 0.00 C ATOM 1537 CE LYS A 95 18.015 -5.113 15.354 1.00 0.00 C ATOM 1538 NZ LYS A 95 19.111 -5.856 16.026 1.00 0.00 N ATOM 0 H LYS A 95 18.592 -1.325 13.158 1.00 0.00 H new ATOM 0 HA LYS A 95 17.119 -2.704 15.099 1.00 0.00 H new ATOM 0 HB2 LYS A 95 19.893 -1.424 15.219 1.00 0.00 H new ATOM 0 HB3 LYS A 95 19.285 -2.573 16.395 1.00 0.00 H new ATOM 0 HG2 LYS A 95 20.135 -3.040 13.541 1.00 0.00 H new ATOM 0 HG3 LYS A 95 20.484 -3.992 14.970 1.00 0.00 H new ATOM 0 HD2 LYS A 95 17.732 -3.836 13.631 1.00 0.00 H new ATOM 0 HD3 LYS A 95 18.884 -5.132 13.374 1.00 0.00 H new ATOM 0 HE2 LYS A 95 17.585 -4.386 16.043 1.00 0.00 H new ATOM 0 HE3 LYS A 95 17.217 -5.802 15.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 18.706 -6.576 16.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 19.707 -6.319 15.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 19.689 -5.194 16.582 1.00 0.00 H new ATOM 1552 N GLN A 96 17.860 0.410 15.767 1.00 0.00 N ATOM 1553 CA GLN A 96 17.694 1.516 16.681 1.00 0.00 C ATOM 1554 C GLN A 96 16.525 2.399 16.271 1.00 0.00 C ATOM 1555 O GLN A 96 15.848 2.982 17.123 1.00 0.00 O ATOM 1556 CB GLN A 96 18.991 2.317 16.704 1.00 0.00 C ATOM 1557 CG GLN A 96 20.166 1.360 16.981 1.00 0.00 C ATOM 1558 CD GLN A 96 21.395 1.812 16.212 1.00 0.00 C ATOM 1559 OE1 GLN A 96 21.712 2.999 16.181 1.00 0.00 O ATOM 1560 NE2 GLN A 96 22.095 0.936 15.570 1.00 0.00 N ATOM 0 H GLN A 96 18.383 0.644 14.923 1.00 0.00 H new ATOM 0 HA GLN A 96 17.472 1.134 17.678 1.00 0.00 H new ATOM 0 HB2 GLN A 96 19.136 2.826 15.751 1.00 0.00 H new ATOM 0 HB3 GLN A 96 18.944 3.088 17.473 1.00 0.00 H new ATOM 0 HG2 GLN A 96 20.383 1.337 18.049 1.00 0.00 H new ATOM 0 HG3 GLN A 96 19.896 0.345 16.688 1.00 0.00 H new ATOM 0 HE21 GLN A 96 21.830 -0.048 15.598 1.00 0.00 H new ATOM 0 HE22 GLN A 96 22.913 1.229 15.036 1.00 0.00 H new ATOM 1569 N ASN A 97 16.329 2.547 14.968 1.00 0.00 N ATOM 1570 CA ASN A 97 15.285 3.438 14.461 1.00 0.00 C ATOM 1571 C ASN A 97 13.909 2.980 14.898 1.00 0.00 C ATOM 1572 O ASN A 97 13.566 1.806 14.798 1.00 0.00 O ATOM 1573 CB ASN A 97 15.316 3.548 12.942 1.00 0.00 C ATOM 1574 CG ASN A 97 14.429 4.712 12.480 1.00 0.00 C ATOM 1575 OD1 ASN A 97 13.481 5.099 13.173 1.00 0.00 O ATOM 1576 ND2 ASN A 97 14.679 5.301 11.356 1.00 0.00 N ATOM 0 H ASN A 97 16.870 2.070 14.247 1.00 0.00 H new ATOM 0 HA ASN A 97 15.490 4.421 14.885 1.00 0.00 H new ATOM 0 HB2 ASN A 97 16.340 3.703 12.602 1.00 0.00 H new ATOM 0 HB3 ASN A 97 14.969 2.616 12.495 1.00 0.00 H new ATOM 0 HD21 ASN A 97 14.096 6.079 11.047 1.00 0.00 H new ATOM 0 HD22 ASN A 97 15.459 4.988 10.779 1.00 0.00 H new ATOM 1583 N TYR A 98 13.136 3.930 15.353 1.00 0.00 N ATOM 1584 CA TYR A 98 11.779 3.712 15.805 1.00 0.00 C ATOM 1585 C TYR A 98 10.888 3.307 14.639 1.00 0.00 C ATOM 1586 O TYR A 98 9.929 2.553 14.809 1.00 0.00 O ATOM 1587 CB TYR A 98 11.259 5.012 16.408 1.00 0.00 C ATOM 1588 CG TYR A 98 12.158 5.396 17.554 1.00 0.00 C ATOM 1589 CD1 TYR A 98 13.305 6.156 17.300 1.00 0.00 C ATOM 1590 CD2 TYR A 98 11.860 4.990 18.857 1.00 0.00 C ATOM 1591 CE1 TYR A 98 14.155 6.508 18.347 1.00 0.00 C ATOM 1592 CE2 TYR A 98 12.714 5.346 19.907 1.00 0.00 C ATOM 1593 CZ TYR A 98 13.860 6.104 19.649 1.00 0.00 C ATOM 1594 OH TYR A 98 14.703 6.447 20.677 1.00 0.00 O ATOM 0 H TYR A 98 13.436 4.902 15.423 1.00 0.00 H new ATOM 0 HA TYR A 98 11.766 2.912 16.546 1.00 0.00 H new ATOM 0 HB2 TYR A 98 11.245 5.801 15.656 1.00 0.00 H new ATOM 0 HB3 TYR A 98 10.234 4.886 16.756 1.00 0.00 H new ATOM 0 HD1 TYR A 98 13.532 6.470 16.292 1.00 0.00 H new ATOM 0 HD2 TYR A 98 10.974 4.404 19.053 1.00 0.00 H new ATOM 0 HE1 TYR A 98 15.041 7.093 18.150 1.00 0.00 H new ATOM 0 HE2 TYR A 98 12.488 5.035 20.916 1.00 0.00 H new ATOM 0 HH TYR A 98 14.354 6.089 21.520 1.00 0.00 H new ATOM 1604 N GLN A 99 11.132 3.918 13.482 1.00 0.00 N ATOM 1605 CA GLN A 99 10.281 3.718 12.313 1.00 0.00 C ATOM 1606 C GLN A 99 11.045 3.058 11.182 1.00 0.00 C ATOM 1607 O GLN A 99 12.206 3.388 10.937 1.00 0.00 O ATOM 1608 CB GLN A 99 9.726 5.058 11.823 1.00 0.00 C ATOM 1609 CG GLN A 99 9.153 5.853 12.999 1.00 0.00 C ATOM 1610 CD GLN A 99 7.644 5.730 13.013 1.00 0.00 C ATOM 1611 OE1 GLN A 99 6.944 6.715 12.800 1.00 0.00 O ATOM 1612 NE2 GLN A 99 7.090 4.574 13.220 1.00 0.00 N ATOM 0 H GLN A 99 11.913 4.556 13.329 1.00 0.00 H new ATOM 0 HA GLN A 99 9.461 3.065 12.613 1.00 0.00 H new ATOM 0 HB2 GLN A 99 10.515 5.631 11.337 1.00 0.00 H new ATOM 0 HB3 GLN A 99 8.950 4.888 11.077 1.00 0.00 H new ATOM 0 HG2 GLN A 99 9.566 5.482 13.937 1.00 0.00 H new ATOM 0 HG3 GLN A 99 9.441 6.901 12.916 1.00 0.00 H new ATOM 0 HE21 GLN A 99 7.671 3.754 13.397 1.00 0.00 H new ATOM 0 HE22 GLN A 99 6.074 4.485 13.205 1.00 0.00 H new ATOM 1621 N PRO A 100 10.402 2.193 10.446 1.00 0.00 N ATOM 1622 CA PRO A 100 11.033 1.538 9.265 1.00 0.00 C ATOM 1623 C PRO A 100 11.238 2.500 8.097 1.00 0.00 C ATOM 1624 O PRO A 100 10.462 3.445 7.910 1.00 0.00 O ATOM 1625 CB PRO A 100 10.044 0.440 8.892 1.00 0.00 C ATOM 1626 CG PRO A 100 8.721 0.984 9.308 1.00 0.00 C ATOM 1627 CD PRO A 100 8.983 1.786 10.587 1.00 0.00 C ATOM 0 HA PRO A 100 12.031 1.167 9.496 1.00 0.00 H new ATOM 0 HB2 PRO A 100 10.069 0.228 7.823 1.00 0.00 H new ATOM 0 HB3 PRO A 100 10.271 -0.493 9.408 1.00 0.00 H new ATOM 0 HG2 PRO A 100 8.296 1.618 8.529 1.00 0.00 H new ATOM 0 HG3 PRO A 100 8.007 0.180 9.490 1.00 0.00 H new ATOM 0 HD2 PRO A 100 8.322 2.649 10.664 1.00 0.00 H new ATOM 0 HD3 PRO A 100 8.824 1.182 11.481 1.00 0.00 H new ATOM 1635 N ASP A 101 12.231 2.201 7.274 1.00 0.00 N ATOM 1636 CA ASP A 101 12.500 2.979 6.063 1.00 0.00 C ATOM 1637 C ASP A 101 11.577 2.507 4.969 1.00 0.00 C ATOM 1638 O ASP A 101 11.680 1.356 4.559 1.00 0.00 O ATOM 1639 CB ASP A 101 13.944 2.733 5.582 1.00 0.00 C ATOM 1640 CG ASP A 101 14.323 3.695 4.456 1.00 0.00 C ATOM 1641 OD1 ASP A 101 13.458 4.341 3.925 1.00 0.00 O ATOM 1642 OD2 ASP A 101 15.489 3.765 4.131 1.00 0.00 O ATOM 0 H ASP A 101 12.871 1.420 7.420 1.00 0.00 H new ATOM 0 HA ASP A 101 12.352 4.036 6.285 1.00 0.00 H new ATOM 0 HB2 ASP A 101 14.634 2.856 6.417 1.00 0.00 H new ATOM 0 HB3 ASP A 101 14.044 1.705 5.235 1.00 0.00 H new ATOM 1647 N PHE A 102 10.710 3.383 4.450 1.00 0.00 N ATOM 1648 CA PHE A 102 9.829 2.971 3.361 1.00 0.00 C ATOM 1649 C PHE A 102 10.679 2.687 2.149 1.00 0.00 C ATOM 1650 O PHE A 102 11.085 3.607 1.435 1.00 0.00 O ATOM 1651 CB PHE A 102 8.854 4.094 2.992 1.00 0.00 C ATOM 1652 CG PHE A 102 7.920 4.408 4.130 1.00 0.00 C ATOM 1653 CD1 PHE A 102 6.941 3.490 4.498 1.00 0.00 C ATOM 1654 CD2 PHE A 102 8.015 5.636 4.796 1.00 0.00 C ATOM 1655 CE1 PHE A 102 6.052 3.791 5.530 1.00 0.00 C ATOM 1656 CE2 PHE A 102 7.129 5.940 5.835 1.00 0.00 C ATOM 1657 CZ PHE A 102 6.145 5.020 6.203 1.00 0.00 C ATOM 0 H PHE A 102 10.603 4.350 4.756 1.00 0.00 H new ATOM 0 HA PHE A 102 9.265 2.094 3.678 1.00 0.00 H new ATOM 0 HB2 PHE A 102 9.414 4.989 2.721 1.00 0.00 H new ATOM 0 HB3 PHE A 102 8.276 3.802 2.115 1.00 0.00 H new ATOM 0 HD1 PHE A 102 6.869 2.543 3.984 1.00 0.00 H new ATOM 0 HD2 PHE A 102 8.773 6.349 4.507 1.00 0.00 H new ATOM 0 HE1 PHE A 102 5.291 3.078 5.812 1.00 0.00 H new ATOM 0 HE2 PHE A 102 7.206 6.885 6.352 1.00 0.00 H new ATOM 0 HZ PHE A 102 5.458 5.253 7.003 1.00 0.00 H new ATOM 1667 N ILE A 103 11.004 1.431 1.953 1.00 0.00 N ATOM 1668 CA ILE A 103 11.846 1.057 0.859 1.00 0.00 C ATOM 1669 C ILE A 103 11.137 1.232 -0.452 1.00 0.00 C ATOM 1670 O ILE A 103 11.734 1.623 -1.409 1.00 0.00 O ATOM 1671 CB ILE A 103 12.316 -0.386 0.984 1.00 0.00 C ATOM 1672 CG1 ILE A 103 13.209 -0.531 2.208 1.00 0.00 C ATOM 1673 CG2 ILE A 103 13.147 -0.736 -0.259 1.00 0.00 C ATOM 1674 CD1 ILE A 103 13.472 -2.013 2.453 1.00 0.00 C ATOM 0 H ILE A 103 10.695 0.657 2.540 1.00 0.00 H new ATOM 0 HA ILE A 103 12.715 1.715 0.890 1.00 0.00 H new ATOM 0 HB ILE A 103 11.452 -1.044 1.076 1.00 0.00 H new ATOM 0 HG12 ILE A 103 14.149 -0.002 2.054 1.00 0.00 H new ATOM 0 HG13 ILE A 103 12.730 -0.084 3.079 1.00 0.00 H new ATOM 0 HG21 ILE A 103 13.493 -1.767 -0.187 1.00 0.00 H new ATOM 0 HG22 ILE A 103 12.532 -0.621 -1.152 1.00 0.00 H new ATOM 0 HG23 ILE A 103 14.007 -0.069 -0.322 1.00 0.00 H new ATOM 0 HD11 ILE A 103 14.111 -2.129 3.328 1.00 0.00 H new ATOM 0 HD12 ILE A 103 12.526 -2.527 2.624 1.00 0.00 H new ATOM 0 HD13 ILE A 103 13.967 -2.443 1.582 1.00 0.00 H new ATOM 1686 N ASN A 104 9.904 0.778 -0.519 1.00 0.00 N ATOM 1687 CA ASN A 104 9.184 0.725 -1.783 1.00 0.00 C ATOM 1688 C ASN A 104 7.693 0.780 -1.531 1.00 0.00 C ATOM 1689 O ASN A 104 7.168 -0.036 -0.774 1.00 0.00 O ATOM 1690 CB ASN A 104 9.538 -0.589 -2.505 1.00 0.00 C ATOM 1691 CG ASN A 104 8.889 -0.648 -3.879 1.00 0.00 C ATOM 1692 OD1 ASN A 104 9.465 -0.060 -4.877 1.00 0.00 O flip ATOM 1693 ND2 ASN A 104 7.840 -1.263 -4.051 1.00 0.00 N flip ATOM 0 H ASN A 104 9.375 0.439 0.285 1.00 0.00 H new ATOM 0 HA ASN A 104 9.469 1.577 -2.401 1.00 0.00 H new ATOM 0 HB2 ASN A 104 10.620 -0.672 -2.606 1.00 0.00 H new ATOM 0 HB3 ASN A 104 9.208 -1.438 -1.906 1.00 0.00 H new ATOM 0 HD21 ASN A 104 7.386 -1.727 -3.264 1.00 0.00 H new ATOM 0 HD22 ASN A 104 7.423 -1.310 -4.981 1.00 0.00 H new ATOM 1700 N MET A 105 7.013 1.750 -2.125 1.00 0.00 N ATOM 1701 CA MET A 105 5.570 1.868 -1.950 1.00 0.00 C ATOM 1702 C MET A 105 4.896 2.344 -3.229 1.00 0.00 C ATOM 1703 O MET A 105 5.288 3.373 -3.810 1.00 0.00 O ATOM 1704 CB MET A 105 5.224 2.749 -0.717 1.00 0.00 C ATOM 1705 CG MET A 105 4.468 4.024 -1.119 1.00 0.00 C ATOM 1706 SD MET A 105 2.816 3.602 -1.738 1.00 0.00 S ATOM 1707 CE MET A 105 1.979 3.509 -0.136 1.00 0.00 C ATOM 0 H MET A 105 7.430 2.460 -2.726 1.00 0.00 H new ATOM 0 HA MET A 105 5.168 0.876 -1.743 1.00 0.00 H new ATOM 0 HB2 MET A 105 4.618 2.173 -0.018 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.142 3.020 -0.195 1.00 0.00 H new ATOM 0 HG2 MET A 105 4.384 4.691 -0.261 1.00 0.00 H new ATOM 0 HG3 MET A 105 5.026 4.560 -1.887 1.00 0.00 H new ATOM 0 HE1 MET A 105 0.948 3.187 -0.282 1.00 0.00 H new ATOM 0 HE2 MET A 105 2.496 2.793 0.503 1.00 0.00 H new ATOM 0 HE3 MET A 105 1.989 4.491 0.337 1.00 0.00 H new ATOM 1717 N TYR A 106 3.894 1.599 -3.675 1.00 0.00 N ATOM 1718 CA TYR A 106 3.173 1.943 -4.890 1.00 0.00 C ATOM 1719 C TYR A 106 1.715 1.536 -4.811 1.00 0.00 C ATOM 1720 O TYR A 106 1.325 0.714 -3.969 1.00 0.00 O ATOM 1721 CB TYR A 106 3.838 1.332 -6.131 1.00 0.00 C ATOM 1722 CG TYR A 106 3.846 -0.170 -6.044 1.00 0.00 C ATOM 1723 CD1 TYR A 106 4.890 -0.824 -5.386 1.00 0.00 C ATOM 1724 CD2 TYR A 106 2.811 -0.911 -6.626 1.00 0.00 C ATOM 1725 CE1 TYR A 106 4.902 -2.214 -5.311 1.00 0.00 C ATOM 1726 CE2 TYR A 106 2.826 -2.303 -6.552 1.00 0.00 C ATOM 1727 CZ TYR A 106 3.870 -2.954 -5.894 1.00 0.00 C ATOM 1728 OH TYR A 106 3.887 -4.327 -5.818 1.00 0.00 O ATOM 0 H TYR A 106 3.563 0.752 -3.213 1.00 0.00 H new ATOM 0 HA TYR A 106 3.212 3.028 -4.985 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.304 1.647 -7.028 1.00 0.00 H new ATOM 0 HB3 TYR A 106 4.859 1.702 -6.222 1.00 0.00 H new ATOM 0 HD1 TYR A 106 5.688 -0.252 -4.936 1.00 0.00 H new ATOM 0 HD2 TYR A 106 2.002 -0.405 -7.132 1.00 0.00 H new ATOM 0 HE1 TYR A 106 5.709 -2.720 -4.802 1.00 0.00 H new ATOM 0 HE2 TYR A 106 2.030 -2.877 -7.004 1.00 0.00 H new ATOM 0 HH TYR A 106 3.098 -4.690 -6.272 1.00 0.00 H new ATOM 1738 N VAL A 107 0.914 2.119 -5.685 1.00 0.00 N ATOM 1739 CA VAL A 107 -0.507 1.837 -5.730 1.00 0.00 C ATOM 1740 C VAL A 107 -0.865 1.248 -7.085 1.00 0.00 C ATOM 1741 O VAL A 107 -0.590 1.857 -8.125 1.00 0.00 O ATOM 1742 CB VAL A 107 -1.283 3.142 -5.488 1.00 0.00 C ATOM 1743 CG1 VAL A 107 -2.779 2.946 -5.759 1.00 0.00 C ATOM 1744 CG2 VAL A 107 -1.075 3.597 -4.046 1.00 0.00 C ATOM 0 H VAL A 107 1.229 2.797 -6.379 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.771 1.115 -4.957 1.00 0.00 H new ATOM 0 HB VAL A 107 -0.908 3.903 -6.172 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.307 3.883 -5.581 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.924 2.639 -6.795 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.171 2.177 -5.094 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -1.625 4.522 -3.874 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.438 2.827 -3.365 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -0.013 3.767 -3.868 1.00 0.00 H new ATOM 1754 N ASP A 108 -1.510 0.091 -7.068 1.00 0.00 N ATOM 1755 CA ASP A 108 -1.947 -0.569 -8.287 1.00 0.00 C ATOM 1756 C ASP A 108 -3.455 -0.432 -8.448 1.00 0.00 C ATOM 1757 O ASP A 108 -4.229 -1.041 -7.689 1.00 0.00 O ATOM 1758 CB ASP A 108 -1.541 -2.054 -8.273 1.00 0.00 C ATOM 1759 CG ASP A 108 -1.579 -2.625 -9.680 1.00 0.00 C ATOM 1760 OD1 ASP A 108 -2.536 -2.386 -10.373 1.00 0.00 O ATOM 1761 OD2 ASP A 108 -0.655 -3.313 -10.042 1.00 0.00 O ATOM 0 H ASP A 108 -1.744 -0.414 -6.213 1.00 0.00 H new ATOM 0 HA ASP A 108 -1.460 -0.088 -9.135 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -0.539 -2.160 -7.857 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -2.215 -2.616 -7.627 1.00 0.00 H new ATOM 1766 N VAL A 109 -3.876 0.352 -9.423 1.00 0.00 N ATOM 1767 CA VAL A 109 -5.294 0.549 -9.689 1.00 0.00 C ATOM 1768 C VAL A 109 -5.684 -0.172 -10.979 1.00 0.00 C ATOM 1769 O VAL A 109 -4.949 -0.124 -11.972 1.00 0.00 O ATOM 1770 CB VAL A 109 -5.615 2.053 -9.779 1.00 0.00 C ATOM 1771 CG1 VAL A 109 -7.134 2.274 -9.775 1.00 0.00 C ATOM 1772 CG2 VAL A 109 -4.986 2.784 -8.581 1.00 0.00 C ATOM 0 H VAL A 109 -3.255 0.866 -10.048 1.00 0.00 H new ATOM 0 HA VAL A 109 -5.876 0.128 -8.869 1.00 0.00 H new ATOM 0 HB VAL A 109 -5.203 2.448 -10.708 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -7.347 3.341 -9.839 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -7.578 1.764 -10.630 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -7.557 1.874 -8.854 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -5.213 3.848 -8.644 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -5.393 2.381 -7.654 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.905 2.642 -8.595 1.00 0.00 H new ATOM 1782 N PRO A 110 -6.774 -0.903 -10.968 1.00 0.00 N ATOM 1783 CA PRO A 110 -7.172 -1.711 -12.160 1.00 0.00 C ATOM 1784 C PRO A 110 -7.314 -0.844 -13.401 1.00 0.00 C ATOM 1785 O PRO A 110 -7.958 0.211 -13.365 1.00 0.00 O ATOM 1786 CB PRO A 110 -8.533 -2.287 -11.763 1.00 0.00 C ATOM 1787 CG PRO A 110 -8.513 -2.320 -10.276 1.00 0.00 C ATOM 1788 CD PRO A 110 -7.713 -1.100 -9.845 1.00 0.00 C ATOM 0 HA PRO A 110 -6.431 -2.471 -12.409 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -9.349 -1.666 -12.134 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -8.677 -3.284 -12.179 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -9.524 -2.288 -9.871 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -8.053 -3.238 -9.911 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -8.353 -0.230 -9.697 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -7.188 -1.273 -8.906 1.00 0.00 H new ATOM 1796 N GLY A 111 -6.786 -1.324 -14.507 1.00 0.00 N ATOM 1797 CA GLY A 111 -6.882 -0.609 -15.771 1.00 0.00 C ATOM 1798 C GLY A 111 -5.958 0.603 -15.780 1.00 0.00 C ATOM 1799 O GLY A 111 -5.853 1.305 -16.792 1.00 0.00 O ATOM 0 H GLY A 111 -6.283 -2.210 -14.561 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -6.621 -1.277 -16.592 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -7.911 -0.289 -15.935 1.00 0.00 H new ATOM 1803 N GLU A 112 -5.283 0.843 -14.657 1.00 0.00 N ATOM 1804 CA GLU A 112 -4.359 1.966 -14.529 1.00 0.00 C ATOM 1805 C GLU A 112 -2.954 1.437 -14.272 1.00 0.00 C ATOM 1806 O GLU A 112 -2.792 0.299 -13.829 1.00 0.00 O ATOM 1807 CB GLU A 112 -4.769 2.852 -13.351 1.00 0.00 C ATOM 1808 CG GLU A 112 -6.201 3.386 -13.545 1.00 0.00 C ATOM 1809 CD GLU A 112 -6.292 4.289 -14.761 1.00 0.00 C ATOM 1810 OE1 GLU A 112 -5.479 5.180 -14.885 1.00 0.00 O ATOM 1811 OE2 GLU A 112 -7.183 4.084 -15.550 1.00 0.00 O ATOM 0 H GLU A 112 -5.361 0.269 -13.817 1.00 0.00 H new ATOM 0 HA GLU A 112 -4.382 2.548 -15.450 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -4.710 2.283 -12.423 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -4.074 3.686 -13.258 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -6.891 2.550 -13.658 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -6.510 3.937 -12.656 1.00 0.00 H new ATOM 1818 N LYS A 113 -1.945 2.265 -14.487 1.00 0.00 N ATOM 1819 CA LYS A 113 -0.580 1.857 -14.182 1.00 0.00 C ATOM 1820 C LYS A 113 -0.328 1.973 -12.692 1.00 0.00 C ATOM 1821 O LYS A 113 -0.748 2.943 -12.056 1.00 0.00 O ATOM 1822 CB LYS A 113 0.447 2.722 -14.928 1.00 0.00 C ATOM 1823 CG LYS A 113 0.719 2.138 -16.318 1.00 0.00 C ATOM 1824 CD LYS A 113 -0.559 2.188 -17.153 1.00 0.00 C ATOM 1825 CE LYS A 113 -0.280 1.621 -18.538 1.00 0.00 C ATOM 1826 NZ LYS A 113 0.633 2.533 -19.277 1.00 0.00 N ATOM 0 H LYS A 113 -2.039 3.208 -14.865 1.00 0.00 H new ATOM 0 HA LYS A 113 -0.465 0.823 -14.506 1.00 0.00 H new ATOM 0 HB2 LYS A 113 0.075 3.743 -15.020 1.00 0.00 H new ATOM 0 HB3 LYS A 113 1.375 2.771 -14.358 1.00 0.00 H new ATOM 0 HG2 LYS A 113 1.511 2.702 -16.812 1.00 0.00 H new ATOM 0 HG3 LYS A 113 1.068 1.109 -16.230 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -1.348 1.615 -16.665 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -0.914 3.215 -17.233 1.00 0.00 H new ATOM 0 HE2 LYS A 113 0.169 0.631 -18.453 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -1.214 1.501 -19.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 0.571 2.335 -20.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 0.357 3.520 -19.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 1.610 2.383 -18.954 1.00 0.00 H new ATOM 1840 N ARG A 114 0.408 1.025 -12.151 1.00 0.00 N ATOM 1841 CA ARG A 114 0.795 1.068 -10.750 1.00 0.00 C ATOM 1842 C ARG A 114 1.563 2.356 -10.463 1.00 0.00 C ATOM 1843 O ARG A 114 2.561 2.664 -11.132 1.00 0.00 O ATOM 1844 CB ARG A 114 1.662 -0.149 -10.407 1.00 0.00 C ATOM 1845 CG ARG A 114 2.754 -0.313 -11.473 1.00 0.00 C ATOM 1846 CD ARG A 114 3.221 -1.762 -11.517 1.00 0.00 C ATOM 1847 NE ARG A 114 4.201 -2.030 -10.467 1.00 0.00 N ATOM 1848 CZ ARG A 114 4.596 -3.268 -10.172 1.00 0.00 C ATOM 1849 NH1 ARG A 114 4.020 -4.294 -10.738 1.00 0.00 N ATOM 1850 NH2 ARG A 114 5.541 -3.446 -9.300 1.00 0.00 N ATOM 0 H ARG A 114 0.753 0.211 -12.659 1.00 0.00 H new ATOM 0 HA ARG A 114 -0.103 1.045 -10.133 1.00 0.00 H new ATOM 0 HB2 ARG A 114 2.114 -0.022 -9.424 1.00 0.00 H new ATOM 0 HB3 ARG A 114 1.046 -1.047 -10.360 1.00 0.00 H new ATOM 0 HG2 ARG A 114 2.370 -0.016 -12.449 1.00 0.00 H new ATOM 0 HG3 ARG A 114 3.595 0.343 -11.248 1.00 0.00 H new ATOM 0 HD2 ARG A 114 2.365 -2.427 -11.399 1.00 0.00 H new ATOM 0 HD3 ARG A 114 3.659 -1.977 -12.492 1.00 0.00 H new ATOM 0 HE ARG A 114 4.594 -1.247 -9.945 1.00 0.00 H new ATOM 0 HH11 ARG A 114 3.265 -4.149 -11.408 1.00 0.00 H new ATOM 0 HH12 ARG A 114 4.325 -5.240 -10.510 1.00 0.00 H new ATOM 0 HH21 ARG A 114 5.975 -2.642 -8.847 1.00 0.00 H new ATOM 0 HH22 ARG A 114 5.850 -4.390 -9.068 1.00 0.00 H new ATOM 1864 N TYR A 115 1.099 3.106 -9.484 1.00 0.00 N ATOM 1865 CA TYR A 115 1.722 4.374 -9.142 1.00 0.00 C ATOM 1866 C TYR A 115 2.689 4.180 -7.994 1.00 0.00 C ATOM 1867 O TYR A 115 2.284 3.752 -6.913 1.00 0.00 O ATOM 1868 CB TYR A 115 0.643 5.383 -8.728 1.00 0.00 C ATOM 1869 CG TYR A 115 1.268 6.737 -8.471 1.00 0.00 C ATOM 1870 CD1 TYR A 115 1.415 7.643 -9.520 1.00 0.00 C ATOM 1871 CD2 TYR A 115 1.704 7.081 -7.187 1.00 0.00 C ATOM 1872 CE1 TYR A 115 1.993 8.892 -9.292 1.00 0.00 C ATOM 1873 CE2 TYR A 115 2.282 8.334 -6.960 1.00 0.00 C ATOM 1874 CZ TYR A 115 2.426 9.238 -8.016 1.00 0.00 C ATOM 1875 OH TYR A 115 3.004 10.470 -7.798 1.00 0.00 O ATOM 0 H TYR A 115 0.292 2.862 -8.909 1.00 0.00 H new ATOM 0 HA TYR A 115 2.262 4.750 -10.011 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -0.110 5.464 -9.512 1.00 0.00 H new ATOM 0 HB3 TYR A 115 0.132 5.033 -7.831 1.00 0.00 H new ATOM 0 HD1 TYR A 115 1.081 7.377 -10.512 1.00 0.00 H new ATOM 0 HD2 TYR A 115 1.594 6.380 -6.373 1.00 0.00 H new ATOM 0 HE1 TYR A 115 2.105 9.591 -10.107 1.00 0.00 H new ATOM 0 HE2 TYR A 115 2.617 8.603 -5.969 1.00 0.00 H new ATOM 0 HH TYR A 115 3.249 10.554 -6.853 1.00 0.00 H new ATOM 1885 N TYR A 116 3.945 4.558 -8.195 1.00 0.00 N ATOM 1886 CA TYR A 116 4.936 4.453 -7.131 1.00 0.00 C ATOM 1887 C TYR A 116 5.011 5.738 -6.347 1.00 0.00 C ATOM 1888 O TYR A 116 5.753 6.660 -6.708 1.00 0.00 O ATOM 1889 CB TYR A 116 6.319 4.109 -7.693 1.00 0.00 C ATOM 1890 CG TYR A 116 6.401 2.634 -8.015 1.00 0.00 C ATOM 1891 CD1 TYR A 116 5.844 2.137 -9.196 1.00 0.00 C ATOM 1892 CD2 TYR A 116 7.051 1.767 -7.131 1.00 0.00 C ATOM 1893 CE1 TYR A 116 5.939 0.775 -9.495 1.00 0.00 C ATOM 1894 CE2 TYR A 116 7.139 0.405 -7.428 1.00 0.00 C ATOM 1895 CZ TYR A 116 6.586 -0.091 -8.608 1.00 0.00 C ATOM 1896 OH TYR A 116 6.688 -1.433 -8.899 1.00 0.00 O ATOM 0 H TYR A 116 4.299 4.936 -9.074 1.00 0.00 H new ATOM 0 HA TYR A 116 4.622 3.647 -6.467 1.00 0.00 H new ATOM 0 HB2 TYR A 116 6.510 4.696 -8.591 1.00 0.00 H new ATOM 0 HB3 TYR A 116 7.090 4.374 -6.969 1.00 0.00 H new ATOM 0 HD1 TYR A 116 5.340 2.806 -9.878 1.00 0.00 H new ATOM 0 HD2 TYR A 116 7.485 2.150 -6.219 1.00 0.00 H new ATOM 0 HE1 TYR A 116 5.513 0.392 -10.410 1.00 0.00 H new ATOM 0 HE2 TYR A 116 7.636 -0.265 -6.742 1.00 0.00 H new ATOM 0 HH TYR A 116 7.360 -1.844 -8.316 1.00 0.00 H new ATOM 1906 N LEU A 117 4.333 5.747 -5.219 1.00 0.00 N ATOM 1907 CA LEU A 117 4.360 6.868 -4.304 1.00 0.00 C ATOM 1908 C LEU A 117 5.764 7.065 -3.761 1.00 0.00 C ATOM 1909 O LEU A 117 6.267 8.189 -3.705 1.00 0.00 O ATOM 1910 CB LEU A 117 3.364 6.627 -3.167 1.00 0.00 C ATOM 1911 CG LEU A 117 3.391 7.783 -2.161 1.00 0.00 C ATOM 1912 CD1 LEU A 117 3.052 9.101 -2.857 1.00 0.00 C ATOM 1913 CD2 LEU A 117 2.366 7.512 -1.062 1.00 0.00 C ATOM 0 H LEU A 117 3.745 4.973 -4.910 1.00 0.00 H new ATOM 0 HA LEU A 117 4.071 7.776 -4.834 1.00 0.00 H new ATOM 0 HB2 LEU A 117 2.359 6.519 -3.575 1.00 0.00 H new ATOM 0 HB3 LEU A 117 3.604 5.693 -2.660 1.00 0.00 H new ATOM 0 HG LEU A 117 4.390 7.859 -1.731 1.00 0.00 H new ATOM 0 HD11 LEU A 117 3.075 9.913 -2.130 1.00 0.00 H new ATOM 0 HD12 LEU A 117 3.782 9.296 -3.642 1.00 0.00 H new ATOM 0 HD13 LEU A 117 2.056 9.035 -3.296 1.00 0.00 H new ATOM 0 HD21 LEU A 117 2.379 8.330 -0.342 1.00 0.00 H new ATOM 0 HD22 LEU A 117 1.372 7.433 -1.503 1.00 0.00 H new ATOM 0 HD23 LEU A 117 2.614 6.579 -0.555 1.00 0.00 H new ATOM 1925 N ILE A 118 6.407 5.962 -3.410 1.00 0.00 N ATOM 1926 CA ILE A 118 7.769 5.997 -2.911 1.00 0.00 C ATOM 1927 C ILE A 118 8.654 5.156 -3.813 1.00 0.00 C ATOM 1928 O ILE A 118 8.362 3.978 -4.068 1.00 0.00 O ATOM 1929 CB ILE A 118 7.819 5.462 -1.469 1.00 0.00 C ATOM 1930 CG1 ILE A 118 6.964 6.353 -0.563 1.00 0.00 C ATOM 1931 CG2 ILE A 118 9.263 5.467 -0.951 1.00 0.00 C ATOM 1932 CD1 ILE A 118 6.872 5.726 0.828 1.00 0.00 C ATOM 0 H ILE A 118 6.003 5.027 -3.463 1.00 0.00 H new ATOM 0 HA ILE A 118 8.128 7.026 -2.910 1.00 0.00 H new ATOM 0 HB ILE A 118 7.436 4.442 -1.460 1.00 0.00 H new ATOM 0 HG12 ILE A 118 7.402 7.349 -0.496 1.00 0.00 H new ATOM 0 HG13 ILE A 118 5.967 6.471 -0.987 1.00 0.00 H new ATOM 0 HG21 ILE A 118 9.285 5.086 0.070 1.00 0.00 H new ATOM 0 HG22 ILE A 118 9.880 4.833 -1.588 1.00 0.00 H new ATOM 0 HG23 ILE A 118 9.652 6.485 -0.967 1.00 0.00 H new ATOM 0 HD11 ILE A 118 6.264 6.360 1.473 1.00 0.00 H new ATOM 0 HD12 ILE A 118 6.415 4.739 0.753 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.872 5.631 1.251 1.00 0.00 H new ATOM 1944 N LYS A 119 9.718 5.757 -4.304 1.00 0.00 N ATOM 1945 CA LYS A 119 10.640 5.075 -5.191 1.00 0.00 C ATOM 1946 C LYS A 119 11.637 4.257 -4.385 1.00 0.00 C ATOM 1947 O LYS A 119 12.110 4.705 -3.340 1.00 0.00 O ATOM 1948 CB LYS A 119 11.378 6.082 -6.078 1.00 0.00 C ATOM 1949 CG LYS A 119 10.375 7.083 -6.684 1.00 0.00 C ATOM 1950 CD LYS A 119 9.418 6.346 -7.635 1.00 0.00 C ATOM 1951 CE LYS A 119 8.496 7.358 -8.332 1.00 0.00 C ATOM 1952 NZ LYS A 119 7.639 8.037 -7.324 1.00 0.00 N ATOM 0 H LYS A 119 9.968 6.725 -4.102 1.00 0.00 H new ATOM 0 HA LYS A 119 10.069 4.403 -5.832 1.00 0.00 H new ATOM 0 HB2 LYS A 119 12.127 6.615 -5.492 1.00 0.00 H new ATOM 0 HB3 LYS A 119 11.908 5.559 -6.874 1.00 0.00 H new ATOM 0 HG2 LYS A 119 9.810 7.572 -5.890 1.00 0.00 H new ATOM 0 HG3 LYS A 119 10.908 7.865 -7.224 1.00 0.00 H new ATOM 0 HD2 LYS A 119 9.987 5.787 -8.378 1.00 0.00 H new ATOM 0 HD3 LYS A 119 8.823 5.622 -7.078 1.00 0.00 H new ATOM 0 HE2 LYS A 119 9.091 8.094 -8.872 1.00 0.00 H new ATOM 0 HE3 LYS A 119 7.874 6.850 -9.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 6.971 8.671 -7.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 7.110 7.325 -6.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 8.236 8.591 -6.678 1.00 0.00 H new ATOM 1966 N PRO A 120 11.932 3.062 -4.821 1.00 0.00 N ATOM 1967 CA PRO A 120 12.858 2.167 -4.081 1.00 0.00 C ATOM 1968 C PRO A 120 14.297 2.623 -4.074 1.00 0.00 C ATOM 1969 O PRO A 120 14.711 3.444 -4.899 1.00 0.00 O ATOM 1970 CB PRO A 120 12.670 0.788 -4.702 1.00 0.00 C ATOM 1971 CG PRO A 120 12.065 1.059 -6.039 1.00 0.00 C ATOM 1972 CD PRO A 120 11.207 2.315 -5.864 1.00 0.00 C ATOM 0 HA PRO A 120 12.615 2.167 -3.019 1.00 0.00 H new ATOM 0 HB2 PRO A 120 13.620 0.262 -4.796 1.00 0.00 H new ATOM 0 HB3 PRO A 120 12.019 0.163 -4.091 1.00 0.00 H new ATOM 0 HG2 PRO A 120 12.837 1.215 -6.793 1.00 0.00 H new ATOM 0 HG3 PRO A 120 11.460 0.216 -6.372 1.00 0.00 H new ATOM 0 HD2 PRO A 120 11.130 2.885 -6.790 1.00 0.00 H new ATOM 0 HD3 PRO A 120 10.191 2.071 -5.554 1.00 0.00 H new ATOM 1980 N LYS A 121 15.046 2.123 -3.093 1.00 0.00 N ATOM 1981 CA LYS A 121 16.442 2.481 -2.935 1.00 0.00 C ATOM 1982 C LYS A 121 17.219 1.969 -4.136 1.00 0.00 C ATOM 1983 O LYS A 121 18.048 1.066 -4.025 1.00 0.00 O ATOM 1984 CB LYS A 121 17.037 1.891 -1.630 1.00 0.00 C ATOM 1985 CG LYS A 121 15.963 1.708 -0.527 1.00 0.00 C ATOM 1986 CD LYS A 121 15.011 2.916 -0.463 1.00 0.00 C ATOM 1987 CE LYS A 121 14.636 3.229 1.004 1.00 0.00 C ATOM 1988 NZ LYS A 121 15.673 4.107 1.618 1.00 0.00 N ATOM 0 H LYS A 121 14.700 1.465 -2.395 1.00 0.00 H new ATOM 0 HA LYS A 121 16.518 3.566 -2.870 1.00 0.00 H new ATOM 0 HB2 LYS A 121 17.500 0.929 -1.847 1.00 0.00 H new ATOM 0 HB3 LYS A 121 17.825 2.548 -1.262 1.00 0.00 H new ATOM 0 HG2 LYS A 121 15.390 0.801 -0.722 1.00 0.00 H new ATOM 0 HG3 LYS A 121 16.450 1.576 0.439 1.00 0.00 H new ATOM 0 HD2 LYS A 121 15.486 3.786 -0.917 1.00 0.00 H new ATOM 0 HD3 LYS A 121 14.109 2.708 -1.039 1.00 0.00 H new ATOM 0 HE2 LYS A 121 13.663 3.719 1.043 1.00 0.00 H new ATOM 0 HE3 LYS A 121 14.549 2.303 1.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 15.887 3.772 2.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 16.538 4.078 1.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 15.319 5.084 1.662 1.00 0.00 H new ATOM 2002 N LEU A 122 16.845 2.451 -5.293 1.00 0.00 N ATOM 2003 CA LEU A 122 17.414 1.996 -6.540 1.00 0.00 C ATOM 2004 C LEU A 122 18.894 2.318 -6.589 1.00 0.00 C ATOM 2005 O LEU A 122 19.692 1.551 -7.136 1.00 0.00 O ATOM 2006 CB LEU A 122 16.688 2.653 -7.715 1.00 0.00 C ATOM 2007 CG LEU A 122 15.241 2.128 -7.789 1.00 0.00 C ATOM 2008 CD1 LEU A 122 14.443 2.951 -8.798 1.00 0.00 C ATOM 2009 CD2 LEU A 122 15.240 0.654 -8.217 1.00 0.00 C ATOM 0 H LEU A 122 16.134 3.174 -5.400 1.00 0.00 H new ATOM 0 HA LEU A 122 17.292 0.915 -6.611 1.00 0.00 H new ATOM 0 HB2 LEU A 122 16.687 3.736 -7.595 1.00 0.00 H new ATOM 0 HB3 LEU A 122 17.212 2.437 -8.646 1.00 0.00 H new ATOM 0 HG LEU A 122 14.782 2.217 -6.804 1.00 0.00 H new ATOM 0 HD11 LEU A 122 13.421 2.576 -8.846 1.00 0.00 H new ATOM 0 HD12 LEU A 122 14.432 3.996 -8.487 1.00 0.00 H new ATOM 0 HD13 LEU A 122 14.906 2.870 -9.781 1.00 0.00 H new ATOM 0 HD21 LEU A 122 14.214 0.290 -8.267 1.00 0.00 H new ATOM 0 HD22 LEU A 122 15.707 0.560 -9.198 1.00 0.00 H new ATOM 0 HD23 LEU A 122 15.799 0.064 -7.491 1.00 0.00 H new ATOM 2021 N HIS A 123 19.244 3.489 -6.084 1.00 0.00 N ATOM 2022 CA HIS A 123 20.623 3.955 -6.117 1.00 0.00 C ATOM 2023 C HIS A 123 20.894 4.966 -5.004 1.00 0.00 C ATOM 2024 O HIS A 123 20.505 6.128 -5.110 1.00 0.00 O ATOM 2025 CB HIS A 123 20.930 4.594 -7.480 1.00 0.00 C ATOM 2026 CG HIS A 123 19.693 5.270 -8.017 1.00 0.00 C ATOM 2027 ND1 HIS A 123 18.949 4.734 -9.057 1.00 0.00 N ATOM 2028 CD2 HIS A 123 19.054 6.434 -7.662 1.00 0.00 C ATOM 2029 CE1 HIS A 123 17.915 5.570 -9.289 1.00 0.00 C ATOM 2030 NE2 HIS A 123 17.934 6.622 -8.465 1.00 0.00 N ATOM 0 H HIS A 123 18.591 4.137 -5.644 1.00 0.00 H new ATOM 0 HA HIS A 123 21.272 3.093 -5.962 1.00 0.00 H new ATOM 0 HB2 HIS A 123 21.737 5.320 -7.378 1.00 0.00 H new ATOM 0 HB3 HIS A 123 21.272 3.832 -8.180 1.00 0.00 H new ATOM 0 HD2 HIS A 123 19.374 7.103 -6.877 1.00 0.00 H new ATOM 0 HE1 HIS A 123 17.164 5.408 -10.048 1.00 0.00 H new ATOM 0 HE2 HIS A 123 17.270 7.396 -8.432 1.00 0.00 H new ATOM 2039 N PRO A 124 21.549 4.558 -3.941 1.00 0.00 N ATOM 2040 CA PRO A 124 21.903 5.508 -2.833 1.00 0.00 C ATOM 2041 C PRO A 124 22.725 6.680 -3.370 1.00 0.00 C ATOM 2042 O PRO A 124 22.427 7.845 -3.088 1.00 0.00 O ATOM 2043 CB PRO A 124 22.736 4.648 -1.881 1.00 0.00 C ATOM 2044 CG PRO A 124 22.247 3.258 -2.117 1.00 0.00 C ATOM 2045 CD PRO A 124 21.952 3.176 -3.612 1.00 0.00 C ATOM 0 HA PRO A 124 21.030 5.950 -2.352 1.00 0.00 H new ATOM 0 HB2 PRO A 124 23.801 4.737 -2.094 1.00 0.00 H new ATOM 0 HB3 PRO A 124 22.592 4.950 -0.843 1.00 0.00 H new ATOM 0 HG2 PRO A 124 22.997 2.523 -1.824 1.00 0.00 H new ATOM 0 HG3 PRO A 124 21.353 3.052 -1.529 1.00 0.00 H new ATOM 0 HD2 PRO A 124 22.828 2.864 -4.181 1.00 0.00 H new ATOM 0 HD3 PRO A 124 21.159 2.461 -3.829 1.00 0.00 H new ATOM 2053 N VAL A 125 23.664 6.363 -4.246 1.00 0.00 N ATOM 2054 CA VAL A 125 24.450 7.363 -4.962 1.00 0.00 C ATOM 2055 C VAL A 125 24.477 6.990 -6.445 1.00 0.00 C ATOM 2056 O VAL A 125 23.436 7.017 -7.105 1.00 0.00 O ATOM 2057 CB VAL A 125 25.877 7.466 -4.379 1.00 0.00 C ATOM 2058 CG1 VAL A 125 26.564 8.735 -4.894 1.00 0.00 C ATOM 2059 CG2 VAL A 125 25.801 7.525 -2.851 1.00 0.00 C ATOM 0 H VAL A 125 23.906 5.401 -4.484 1.00 0.00 H new ATOM 0 HA VAL A 125 23.991 8.345 -4.846 1.00 0.00 H new ATOM 0 HB VAL A 125 26.450 6.592 -4.690 1.00 0.00 H new ATOM 0 HG11 VAL A 125 27.569 8.799 -4.478 1.00 0.00 H new ATOM 0 HG12 VAL A 125 26.623 8.701 -5.982 1.00 0.00 H new ATOM 0 HG13 VAL A 125 25.989 9.609 -4.589 1.00 0.00 H new ATOM 0 HG21 VAL A 125 26.808 7.598 -2.439 1.00 0.00 H new ATOM 0 HG22 VAL A 125 25.222 8.397 -2.549 1.00 0.00 H new ATOM 0 HG23 VAL A 125 25.320 6.622 -2.476 1.00 0.00 H new ATOM 2069 N SER A 126 25.615 6.498 -6.930 1.00 0.00 N ATOM 2070 CA SER A 126 25.675 5.973 -8.284 1.00 0.00 C ATOM 2071 C SER A 126 24.712 4.802 -8.397 1.00 0.00 C ATOM 2072 O SER A 126 23.927 4.700 -9.348 1.00 0.00 O ATOM 2073 CB SER A 126 27.091 5.497 -8.602 1.00 0.00 C ATOM 2074 OG SER A 126 28.024 6.536 -8.302 1.00 0.00 O ATOM 0 H SER A 126 26.493 6.454 -6.412 1.00 0.00 H new ATOM 0 HA SER A 126 25.400 6.757 -8.990 1.00 0.00 H new ATOM 0 HB2 SER A 126 27.325 4.605 -8.021 1.00 0.00 H new ATOM 0 HB3 SER A 126 27.165 5.220 -9.654 1.00 0.00 H new ATOM 0 HG SER A 126 28.932 6.229 -8.505 1.00 0.00 H new ATOM 2080 N ASN A 127 24.750 3.955 -7.372 1.00 0.00 N ATOM 2081 CA ASN A 127 23.889 2.788 -7.243 1.00 0.00 C ATOM 2082 C ASN A 127 24.411 1.893 -6.133 1.00 0.00 C ATOM 2083 O ASN A 127 23.670 1.078 -5.653 1.00 0.00 O ATOM 2084 CB ASN A 127 23.799 1.986 -8.551 1.00 0.00 C ATOM 2085 CG ASN A 127 25.182 1.740 -9.143 1.00 0.00 C ATOM 2086 OD1 ASN A 127 26.236 1.828 -8.388 1.00 0.00 O flip ATOM 2087 ND2 ASN A 127 25.300 1.454 -10.336 1.00 0.00 N flip ATOM 2088 OXT ASN A 127 25.556 2.038 -5.788 1.00 0.00 O ATOM 0 H ASN A 127 25.396 4.066 -6.591 1.00 0.00 H new ATOM 0 HA ASN A 127 22.886 3.142 -7.004 1.00 0.00 H new ATOM 0 HB2 ASN A 127 23.306 1.032 -8.363 1.00 0.00 H new ATOM 0 HB3 ASN A 127 23.183 2.526 -9.270 1.00 0.00 H new ATOM 0 HD21 ASN A 127 24.472 1.385 -10.928 1.00 0.00 H new ATOM 0 HD22 ASN A 127 26.225 1.286 -10.731 1.00 0.00 H new TER 2095 ASN A 127