USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 573 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 NoAdj-H: A 36 HIS HD1 : A 36 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 74 HIS HD1 : A 74 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= -0.0169 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 47 THR OG1 : rot 147:sc= 0.337 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.236 X(o=-0.24,f=-0.12) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0133 USER MOD Single : A 61 LYS NZ :NH3+ -149:sc= 0.816 (180deg=-0.102) USER MOD Single : A 62 GLN : amide:sc= -0.226 X(o=-0.23,f=-0.23) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 70 SER OG : rot -18:sc= 0.294 USER MOD Single : A 78 HIS : no HD1:sc= -6.55! C(o=-6.6!,f=-10!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.11) USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.131 USER MOD Single : A 99 ASN : amide:sc= -0.101 K(o=-0.1,f=-2.8!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 HIS : no HD1:sc= -0.0114 X(o=-0.011,f=-0.47) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 29 -11.097 -12.983 -11.822 1.00 0.00 N ATOM 2 CA GLY A 29 -9.666 -12.745 -11.806 1.00 0.00 C ATOM 3 C GLY A 29 -9.026 -13.145 -10.491 1.00 0.00 C ATOM 4 O GLY A 29 -8.917 -12.332 -9.573 1.00 0.00 O ATOM 0 HA2 GLY A 29 -9.199 -13.302 -12.618 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.474 -11.688 -11.993 1.00 0.00 H new ATOM 8 N SER A 30 -8.603 -14.401 -10.399 1.00 0.00 N ATOM 9 CA SER A 30 -7.976 -14.909 -9.184 1.00 0.00 C ATOM 10 C SER A 30 -6.457 -14.939 -9.329 1.00 0.00 C ATOM 11 O SER A 30 -5.923 -15.528 -10.269 1.00 0.00 O ATOM 12 CB SER A 30 -8.496 -16.312 -8.864 1.00 0.00 C ATOM 13 OG SER A 30 -9.815 -16.261 -8.348 1.00 0.00 O ATOM 0 H SER A 30 -8.683 -15.086 -11.151 1.00 0.00 H new ATOM 0 HA SER A 30 -8.233 -14.238 -8.364 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.478 -16.924 -9.766 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.837 -16.791 -8.140 1.00 0.00 H new ATOM 0 HG SER A 30 -10.125 -17.170 -8.153 1.00 0.00 H new ATOM 19 N SER A 31 -5.767 -14.299 -8.390 1.00 0.00 N ATOM 20 CA SER A 31 -4.310 -14.247 -8.414 1.00 0.00 C ATOM 21 C SER A 31 -3.794 -14.139 -9.845 1.00 0.00 C ATOM 22 O SER A 31 -2.844 -14.821 -10.228 1.00 0.00 O ATOM 23 CB SER A 31 -3.724 -15.490 -7.741 1.00 0.00 C ATOM 24 OG SER A 31 -4.097 -16.669 -8.434 1.00 0.00 O ATOM 0 H SER A 31 -6.194 -13.809 -7.603 1.00 0.00 H new ATOM 0 HA SER A 31 -3.993 -13.361 -7.864 1.00 0.00 H new ATOM 0 HB2 SER A 31 -2.637 -15.412 -7.709 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.070 -15.546 -6.709 1.00 0.00 H new ATOM 0 HG SER A 31 -3.709 -17.449 -7.985 1.00 0.00 H new ATOM 30 N GLY A 32 -4.427 -13.274 -10.633 1.00 0.00 N ATOM 31 CA GLY A 32 -4.019 -13.091 -12.013 1.00 0.00 C ATOM 32 C GLY A 32 -3.160 -11.857 -12.205 1.00 0.00 C ATOM 33 O GLY A 32 -2.095 -11.922 -12.818 1.00 0.00 O ATOM 0 H GLY A 32 -5.215 -12.697 -10.339 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.466 -13.970 -12.345 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.905 -13.015 -12.643 1.00 0.00 H new ATOM 37 N SER A 33 -3.625 -10.727 -11.681 1.00 0.00 N ATOM 38 CA SER A 33 -2.894 -9.471 -11.802 1.00 0.00 C ATOM 39 C SER A 33 -1.764 -9.398 -10.779 1.00 0.00 C ATOM 40 O SER A 33 -1.838 -10.007 -9.712 1.00 0.00 O ATOM 41 CB SER A 33 -3.843 -8.285 -11.615 1.00 0.00 C ATOM 42 OG SER A 33 -3.143 -7.055 -11.694 1.00 0.00 O ATOM 0 H SER A 33 -4.504 -10.656 -11.169 1.00 0.00 H new ATOM 0 HA SER A 33 -2.460 -9.427 -12.801 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.621 -8.314 -12.378 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.341 -8.362 -10.648 1.00 0.00 H new ATOM 0 HG SER A 33 -3.771 -6.313 -11.573 1.00 0.00 H new ATOM 48 N SER A 34 -0.718 -8.650 -11.115 1.00 0.00 N ATOM 49 CA SER A 34 0.430 -8.500 -10.229 1.00 0.00 C ATOM 50 C SER A 34 0.204 -7.367 -9.233 1.00 0.00 C ATOM 51 O SER A 34 -0.260 -6.287 -9.598 1.00 0.00 O ATOM 52 CB SER A 34 1.698 -8.233 -11.043 1.00 0.00 C ATOM 53 OG SER A 34 2.032 -9.351 -11.847 1.00 0.00 O ATOM 0 H SER A 34 -0.642 -8.139 -11.994 1.00 0.00 H new ATOM 0 HA SER A 34 0.552 -9.430 -9.673 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.551 -7.357 -11.675 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.525 -8.005 -10.370 1.00 0.00 H new ATOM 0 HG SER A 34 2.845 -9.155 -12.359 1.00 0.00 H new ATOM 59 N GLY A 35 0.535 -7.621 -7.970 1.00 0.00 N ATOM 60 CA GLY A 35 0.361 -6.614 -6.940 1.00 0.00 C ATOM 61 C GLY A 35 -0.421 -7.132 -5.749 1.00 0.00 C ATOM 62 O GLY A 35 -0.657 -8.334 -5.627 1.00 0.00 O ATOM 0 H GLY A 35 0.921 -8.507 -7.642 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.339 -6.268 -6.606 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.155 -5.752 -7.363 1.00 0.00 H new ATOM 66 N HIS A 36 -0.823 -6.223 -4.867 1.00 0.00 N ATOM 67 CA HIS A 36 -1.582 -6.595 -3.678 1.00 0.00 C ATOM 68 C HIS A 36 -3.053 -6.811 -4.018 1.00 0.00 C ATOM 69 O HIS A 36 -3.500 -6.494 -5.121 1.00 0.00 O ATOM 70 CB HIS A 36 -1.448 -5.515 -2.603 1.00 0.00 C ATOM 71 CG HIS A 36 -0.082 -5.442 -1.994 1.00 0.00 C ATOM 72 ND1 HIS A 36 0.160 -5.682 -0.658 1.00 0.00 N ATOM 73 CD2 HIS A 36 1.120 -5.156 -2.547 1.00 0.00 C ATOM 74 CE1 HIS A 36 1.452 -5.545 -0.415 1.00 0.00 C ATOM 75 NE2 HIS A 36 2.056 -5.226 -1.545 1.00 0.00 N ATOM 0 H HIS A 36 -0.636 -5.224 -4.953 1.00 0.00 H new ATOM 0 HA HIS A 36 -1.175 -7.531 -3.295 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -1.694 -4.547 -3.040 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -2.178 -5.705 -1.816 1.00 0.00 H new ATOM 0 HD2 HIS A 36 1.308 -4.917 -3.583 1.00 0.00 H new ATOM 0 HE1 HIS A 36 1.932 -5.672 0.544 1.00 0.00 H new ATOM 0 HE2 HIS A 36 3.056 -5.059 -1.656 1.00 0.00 H new ATOM 83 N LYS A 37 -3.803 -7.354 -3.065 1.00 0.00 N ATOM 84 CA LYS A 37 -5.224 -7.613 -3.262 1.00 0.00 C ATOM 85 C LYS A 37 -6.038 -6.333 -3.099 1.00 0.00 C ATOM 86 O LYS A 37 -7.079 -6.328 -2.442 1.00 0.00 O ATOM 87 CB LYS A 37 -5.713 -8.671 -2.271 1.00 0.00 C ATOM 88 CG LYS A 37 -5.388 -10.094 -2.690 1.00 0.00 C ATOM 89 CD LYS A 37 -5.756 -11.093 -1.606 1.00 0.00 C ATOM 90 CE LYS A 37 -4.982 -12.393 -1.760 1.00 0.00 C ATOM 91 NZ LYS A 37 -5.510 -13.224 -2.877 1.00 0.00 N ATOM 0 H LYS A 37 -3.449 -7.624 -2.147 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.363 -7.984 -4.277 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.266 -8.477 -1.296 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.792 -8.574 -2.152 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.926 -10.336 -3.607 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.324 -10.174 -2.914 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.552 -10.660 -0.627 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.826 -11.298 -1.647 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.930 -12.170 -1.939 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.034 -12.959 -0.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.956 -14.101 -2.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.507 -13.458 -2.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.437 -12.694 -3.769 1.00 0.00 H new ATOM 105 N PHE A 38 -5.557 -5.251 -3.701 1.00 0.00 N ATOM 106 CA PHE A 38 -6.241 -3.965 -3.623 1.00 0.00 C ATOM 107 C PHE A 38 -7.717 -4.111 -3.982 1.00 0.00 C ATOM 108 O PHE A 38 -8.061 -4.595 -5.061 1.00 0.00 O ATOM 109 CB PHE A 38 -5.575 -2.952 -4.557 1.00 0.00 C ATOM 110 CG PHE A 38 -4.284 -2.402 -4.022 1.00 0.00 C ATOM 111 CD1 PHE A 38 -4.269 -1.624 -2.875 1.00 0.00 C ATOM 112 CD2 PHE A 38 -3.085 -2.663 -4.665 1.00 0.00 C ATOM 113 CE1 PHE A 38 -3.082 -1.116 -2.380 1.00 0.00 C ATOM 114 CE2 PHE A 38 -1.895 -2.158 -4.174 1.00 0.00 C ATOM 115 CZ PHE A 38 -1.894 -1.383 -3.031 1.00 0.00 C ATOM 0 H PHE A 38 -4.696 -5.238 -4.248 1.00 0.00 H new ATOM 0 HA PHE A 38 -6.169 -3.605 -2.597 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.387 -3.427 -5.520 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -6.265 -2.128 -4.737 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -5.195 -1.412 -2.362 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.080 -3.268 -5.560 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.084 -0.511 -1.485 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.967 -2.370 -4.684 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.966 -0.986 -2.647 1.00 0.00 H new ATOM 125 N THR A 39 -8.586 -3.690 -3.069 1.00 0.00 N ATOM 126 CA THR A 39 -10.025 -3.774 -3.287 1.00 0.00 C ATOM 127 C THR A 39 -10.730 -2.513 -2.800 1.00 0.00 C ATOM 128 O THR A 39 -10.594 -2.123 -1.641 1.00 0.00 O ATOM 129 CB THR A 39 -10.630 -4.996 -2.570 1.00 0.00 C ATOM 130 OG1 THR A 39 -12.057 -4.977 -2.690 1.00 0.00 O ATOM 131 CG2 THR A 39 -10.240 -5.010 -1.100 1.00 0.00 C ATOM 0 H THR A 39 -8.318 -3.287 -2.171 1.00 0.00 H new ATOM 0 HA THR A 39 -10.177 -3.879 -4.361 1.00 0.00 H new ATOM 0 HB THR A 39 -10.238 -5.897 -3.042 1.00 0.00 H new ATOM 0 HG1 THR A 39 -12.434 -5.758 -2.233 1.00 0.00 H new ATOM 0 HG21 THR A 39 -10.679 -5.882 -0.615 1.00 0.00 H new ATOM 0 HG22 THR A 39 -9.154 -5.054 -1.012 1.00 0.00 H new ATOM 0 HG23 THR A 39 -10.607 -4.104 -0.618 1.00 0.00 H new ATOM 139 N ALA A 40 -11.483 -1.880 -3.693 1.00 0.00 N ATOM 140 CA ALA A 40 -12.212 -0.665 -3.354 1.00 0.00 C ATOM 141 C ALA A 40 -12.868 -0.783 -1.982 1.00 0.00 C ATOM 142 O ALA A 40 -13.468 -1.807 -1.657 1.00 0.00 O ATOM 143 CB ALA A 40 -13.258 -0.362 -4.416 1.00 0.00 C ATOM 0 H ALA A 40 -11.604 -2.189 -4.658 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.498 0.158 -3.318 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -13.795 0.548 -4.149 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.768 -0.225 -5.380 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -13.962 -1.192 -4.481 1.00 0.00 H new ATOM 149 N ARG A 41 -12.748 0.271 -1.181 1.00 0.00 N ATOM 150 CA ARG A 41 -13.328 0.284 0.156 1.00 0.00 C ATOM 151 C ARG A 41 -13.670 1.708 0.586 1.00 0.00 C ATOM 152 O ARG A 41 -12.993 2.663 0.205 1.00 0.00 O ATOM 153 CB ARG A 41 -12.361 -0.345 1.161 1.00 0.00 C ATOM 154 CG ARG A 41 -12.918 -0.429 2.572 1.00 0.00 C ATOM 155 CD ARG A 41 -12.084 -1.354 3.446 1.00 0.00 C ATOM 156 NE ARG A 41 -11.999 -2.702 2.891 1.00 0.00 N ATOM 157 CZ ARG A 41 -11.438 -3.724 3.527 1.00 0.00 C ATOM 158 NH1 ARG A 41 -10.917 -3.553 4.734 1.00 0.00 N ATOM 159 NH2 ARG A 41 -11.399 -4.921 2.956 1.00 0.00 N ATOM 0 H ARG A 41 -12.254 1.127 -1.435 1.00 0.00 H new ATOM 0 HA ARG A 41 -14.247 -0.301 0.132 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -12.100 -1.348 0.822 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.439 0.236 1.178 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -12.943 0.567 3.014 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -13.946 -0.788 2.538 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -11.080 -0.943 3.555 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -12.519 -1.400 4.444 1.00 0.00 H new ATOM 0 HE ARG A 41 -12.392 -2.868 1.964 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -10.946 -2.635 5.177 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -10.487 -4.340 5.220 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -11.800 -5.057 2.028 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.968 -5.706 3.445 1.00 0.00 H new ATOM 173 N PHE A 42 -14.726 1.842 1.382 1.00 0.00 N ATOM 174 CA PHE A 42 -15.160 3.149 1.863 1.00 0.00 C ATOM 175 C PHE A 42 -14.338 3.583 3.074 1.00 0.00 C ATOM 176 O PHE A 42 -14.201 2.838 4.044 1.00 0.00 O ATOM 177 CB PHE A 42 -16.645 3.114 2.227 1.00 0.00 C ATOM 178 CG PHE A 42 -16.967 2.168 3.348 1.00 0.00 C ATOM 179 CD1 PHE A 42 -17.097 0.809 3.109 1.00 0.00 C ATOM 180 CD2 PHE A 42 -17.138 2.637 4.641 1.00 0.00 C ATOM 181 CE1 PHE A 42 -17.394 -0.063 4.139 1.00 0.00 C ATOM 182 CE2 PHE A 42 -17.434 1.768 5.675 1.00 0.00 C ATOM 183 CZ PHE A 42 -17.561 0.416 5.423 1.00 0.00 C ATOM 0 H PHE A 42 -15.297 1.062 1.708 1.00 0.00 H new ATOM 0 HA PHE A 42 -15.006 3.873 1.063 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -16.966 4.118 2.506 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -17.220 2.829 1.346 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -16.965 0.428 2.107 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -17.039 3.693 4.843 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -17.496 -1.120 3.940 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -17.566 2.146 6.678 1.00 0.00 H new ATOM 0 HZ PHE A 42 -17.791 -0.265 6.229 1.00 0.00 H new ATOM 193 N PHE A 43 -13.793 4.793 3.008 1.00 0.00 N ATOM 194 CA PHE A 43 -12.984 5.327 4.097 1.00 0.00 C ATOM 195 C PHE A 43 -13.619 6.585 4.681 1.00 0.00 C ATOM 196 O PHE A 43 -13.609 7.647 4.057 1.00 0.00 O ATOM 197 CB PHE A 43 -11.569 5.637 3.605 1.00 0.00 C ATOM 198 CG PHE A 43 -10.763 4.411 3.283 1.00 0.00 C ATOM 199 CD1 PHE A 43 -10.668 3.371 4.193 1.00 0.00 C ATOM 200 CD2 PHE A 43 -10.100 4.299 2.071 1.00 0.00 C ATOM 201 CE1 PHE A 43 -9.927 2.241 3.900 1.00 0.00 C ATOM 202 CE2 PHE A 43 -9.359 3.172 1.773 1.00 0.00 C ATOM 203 CZ PHE A 43 -9.271 2.142 2.689 1.00 0.00 C ATOM 0 H PHE A 43 -13.897 5.422 2.212 1.00 0.00 H new ATOM 0 HA PHE A 43 -12.931 4.571 4.881 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -11.632 6.264 2.716 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -11.047 6.215 4.367 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -11.178 3.444 5.142 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -10.163 5.102 1.352 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -9.861 1.437 4.618 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.849 3.096 0.824 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.690 1.261 2.459 1.00 0.00 H new ATOM 213 N LYS A 44 -14.172 6.459 5.882 1.00 0.00 N ATOM 214 CA LYS A 44 -14.812 7.584 6.553 1.00 0.00 C ATOM 215 C LYS A 44 -13.772 8.578 7.061 1.00 0.00 C ATOM 216 O LYS A 44 -14.040 9.775 7.156 1.00 0.00 O ATOM 217 CB LYS A 44 -15.672 7.089 7.718 1.00 0.00 C ATOM 218 CG LYS A 44 -16.900 6.311 7.279 1.00 0.00 C ATOM 219 CD LYS A 44 -17.898 6.157 8.415 1.00 0.00 C ATOM 220 CE LYS A 44 -19.039 5.226 8.033 1.00 0.00 C ATOM 221 NZ LYS A 44 -20.143 5.263 9.032 1.00 0.00 N ATOM 0 H LYS A 44 -14.190 5.587 6.412 1.00 0.00 H new ATOM 0 HA LYS A 44 -15.450 8.091 5.829 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -15.064 6.457 8.365 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -15.988 7.945 8.315 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -17.376 6.822 6.442 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -16.599 5.326 6.922 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -17.389 5.768 9.297 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -18.299 7.134 8.683 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -19.426 5.508 7.054 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -18.662 4.207 7.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -20.901 4.615 8.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -19.780 4.969 9.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -20.520 6.230 9.097 1.00 0.00 H new ATOM 235 N GLN A 45 -12.587 8.072 7.385 1.00 0.00 N ATOM 236 CA GLN A 45 -11.507 8.917 7.883 1.00 0.00 C ATOM 237 C GLN A 45 -10.413 9.078 6.832 1.00 0.00 C ATOM 238 O GLN A 45 -10.285 8.276 5.907 1.00 0.00 O ATOM 239 CB GLN A 45 -10.917 8.324 9.164 1.00 0.00 C ATOM 240 CG GLN A 45 -11.747 8.609 10.405 1.00 0.00 C ATOM 241 CD GLN A 45 -11.019 8.259 11.687 1.00 0.00 C ATOM 242 OE1 GLN A 45 -10.067 7.478 11.681 1.00 0.00 O ATOM 243 NE2 GLN A 45 -11.463 8.836 12.798 1.00 0.00 N ATOM 0 H GLN A 45 -12.350 7.083 7.312 1.00 0.00 H new ATOM 0 HA GLN A 45 -11.921 9.901 8.103 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -10.818 7.245 9.043 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -9.913 8.722 9.310 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -12.017 9.665 10.422 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -12.677 8.043 10.353 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -12.255 9.477 12.758 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -11.012 8.638 13.691 1.00 0.00 H new ATOM 252 N PRO A 46 -9.606 10.139 6.976 1.00 0.00 N ATOM 253 CA PRO A 46 -8.508 10.430 6.049 1.00 0.00 C ATOM 254 C PRO A 46 -7.369 9.424 6.164 1.00 0.00 C ATOM 255 O PRO A 46 -6.386 9.661 6.867 1.00 0.00 O ATOM 256 CB PRO A 46 -8.039 11.822 6.480 1.00 0.00 C ATOM 257 CG PRO A 46 -8.429 11.925 7.914 1.00 0.00 C ATOM 258 CD PRO A 46 -9.701 11.136 8.056 1.00 0.00 C ATOM 0 HA PRO A 46 -8.829 10.377 5.009 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.962 11.934 6.353 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -8.513 12.602 5.884 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.648 11.525 8.560 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -8.581 12.965 8.203 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.773 10.662 9.035 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -10.581 11.769 7.943 1.00 0.00 H new ATOM 266 N THR A 47 -7.506 8.298 5.470 1.00 0.00 N ATOM 267 CA THR A 47 -6.489 7.256 5.495 1.00 0.00 C ATOM 268 C THR A 47 -5.123 7.810 5.104 1.00 0.00 C ATOM 269 O THR A 47 -5.018 8.926 4.597 1.00 0.00 O ATOM 270 CB THR A 47 -6.849 6.095 4.548 1.00 0.00 C ATOM 271 OG1 THR A 47 -8.182 5.643 4.813 1.00 0.00 O ATOM 272 CG2 THR A 47 -5.874 4.940 4.712 1.00 0.00 C ATOM 0 H THR A 47 -8.313 8.085 4.883 1.00 0.00 H new ATOM 0 HA THR A 47 -6.447 6.881 6.518 1.00 0.00 H new ATOM 0 HB THR A 47 -6.786 6.459 3.522 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.595 5.337 3.979 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.149 4.133 4.033 1.00 0.00 H new ATOM 0 HG22 THR A 47 -4.865 5.280 4.481 1.00 0.00 H new ATOM 0 HG23 THR A 47 -5.909 4.578 5.739 1.00 0.00 H new ATOM 280 N PHE A 48 -4.080 7.022 5.343 1.00 0.00 N ATOM 281 CA PHE A 48 -2.720 7.435 5.016 1.00 0.00 C ATOM 282 C PHE A 48 -2.108 6.509 3.968 1.00 0.00 C ATOM 283 O PHE A 48 -2.336 5.299 3.983 1.00 0.00 O ATOM 284 CB PHE A 48 -1.850 7.444 6.275 1.00 0.00 C ATOM 285 CG PHE A 48 -0.541 8.158 6.094 1.00 0.00 C ATOM 286 CD1 PHE A 48 -0.503 9.535 5.944 1.00 0.00 C ATOM 287 CD2 PHE A 48 0.651 7.452 6.075 1.00 0.00 C ATOM 288 CE1 PHE A 48 0.700 10.194 5.777 1.00 0.00 C ATOM 289 CE2 PHE A 48 1.857 8.106 5.909 1.00 0.00 C ATOM 290 CZ PHE A 48 1.882 9.479 5.760 1.00 0.00 C ATOM 0 H PHE A 48 -4.150 6.095 5.762 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.762 8.444 4.605 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -2.404 7.917 7.086 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.655 6.416 6.579 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -1.424 10.099 5.958 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.637 6.378 6.191 1.00 0.00 H new ATOM 0 HE1 PHE A 48 0.716 11.268 5.660 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.779 7.544 5.896 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.823 9.992 5.631 1.00 0.00 H new ATOM 300 N CYS A 49 -1.330 7.087 3.059 1.00 0.00 N ATOM 301 CA CYS A 49 -0.685 6.317 2.003 1.00 0.00 C ATOM 302 C CYS A 49 0.653 5.757 2.477 1.00 0.00 C ATOM 303 O CYS A 49 1.574 6.509 2.794 1.00 0.00 O ATOM 304 CB CYS A 49 -0.476 7.189 0.763 1.00 0.00 C ATOM 305 SG CYS A 49 0.136 6.278 -0.691 1.00 0.00 S ATOM 0 H CYS A 49 -1.131 8.087 3.033 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.337 5.482 1.746 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -1.420 7.670 0.507 1.00 0.00 H new ATOM 0 HB3 CYS A 49 0.231 7.983 1.005 1.00 0.00 H new ATOM 310 N SER A 50 0.751 4.433 2.522 1.00 0.00 N ATOM 311 CA SER A 50 1.974 3.771 2.961 1.00 0.00 C ATOM 312 C SER A 50 2.979 3.673 1.817 1.00 0.00 C ATOM 313 O SER A 50 3.907 2.864 1.858 1.00 0.00 O ATOM 314 CB SER A 50 1.659 2.375 3.500 1.00 0.00 C ATOM 315 OG SER A 50 1.157 2.440 4.823 1.00 0.00 O ATOM 0 H SER A 50 -0.002 3.797 2.260 1.00 0.00 H new ATOM 0 HA SER A 50 2.415 4.369 3.759 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.928 1.889 2.854 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.560 1.762 3.479 1.00 0.00 H new ATOM 0 HG SER A 50 0.962 1.535 5.144 1.00 0.00 H new ATOM 321 N HIS A 51 2.786 4.501 0.795 1.00 0.00 N ATOM 322 CA HIS A 51 3.675 4.509 -0.361 1.00 0.00 C ATOM 323 C HIS A 51 4.407 5.842 -0.475 1.00 0.00 C ATOM 324 O HIS A 51 5.634 5.882 -0.568 1.00 0.00 O ATOM 325 CB HIS A 51 2.883 4.238 -1.641 1.00 0.00 C ATOM 326 CG HIS A 51 3.714 4.306 -2.885 1.00 0.00 C ATOM 327 ND1 HIS A 51 4.342 3.207 -3.432 1.00 0.00 N ATOM 328 CD2 HIS A 51 4.017 5.350 -3.691 1.00 0.00 C ATOM 329 CE1 HIS A 51 4.997 3.572 -4.519 1.00 0.00 C ATOM 330 NE2 HIS A 51 4.816 4.868 -4.699 1.00 0.00 N ATOM 0 H HIS A 51 2.022 5.175 0.744 1.00 0.00 H new ATOM 0 HA HIS A 51 4.414 3.720 -0.225 1.00 0.00 H new ATOM 0 HB2 HIS A 51 2.425 3.251 -1.573 1.00 0.00 H new ATOM 0 HB3 HIS A 51 2.071 4.961 -1.716 1.00 0.00 H new ATOM 0 HD2 HIS A 51 3.691 6.372 -3.565 1.00 0.00 H new ATOM 0 HE1 HIS A 51 5.581 2.922 -5.153 1.00 0.00 H new ATOM 0 HE2 HIS A 51 5.206 5.421 -5.462 1.00 0.00 H new ATOM 338 N CYS A 52 3.647 6.932 -0.468 1.00 0.00 N ATOM 339 CA CYS A 52 4.223 8.267 -0.571 1.00 0.00 C ATOM 340 C CYS A 52 3.942 9.080 0.690 1.00 0.00 C ATOM 341 O CYS A 52 3.784 10.300 0.634 1.00 0.00 O ATOM 342 CB CYS A 52 3.662 8.994 -1.795 1.00 0.00 C ATOM 343 SG CYS A 52 1.852 9.196 -1.775 1.00 0.00 S ATOM 0 H CYS A 52 2.630 6.917 -0.392 1.00 0.00 H new ATOM 0 HA CYS A 52 5.302 8.162 -0.682 1.00 0.00 H new ATOM 0 HB2 CYS A 52 4.126 9.978 -1.864 1.00 0.00 H new ATOM 0 HB3 CYS A 52 3.946 8.444 -2.692 1.00 0.00 H new ATOM 348 N THR A 53 3.880 8.395 1.827 1.00 0.00 N ATOM 349 CA THR A 53 3.617 9.052 3.102 1.00 0.00 C ATOM 350 C THR A 53 2.715 10.267 2.919 1.00 0.00 C ATOM 351 O THR A 53 3.060 11.375 3.328 1.00 0.00 O ATOM 352 CB THR A 53 4.925 9.495 3.785 1.00 0.00 C ATOM 353 OG1 THR A 53 5.701 10.295 2.886 1.00 0.00 O ATOM 354 CG2 THR A 53 5.739 8.290 4.231 1.00 0.00 C ATOM 0 H THR A 53 4.008 7.385 1.892 1.00 0.00 H new ATOM 0 HA THR A 53 3.113 8.322 3.736 1.00 0.00 H new ATOM 0 HB THR A 53 4.667 10.084 4.665 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.530 10.574 3.328 1.00 0.00 H new ATOM 0 HG21 THR A 53 6.658 8.629 4.710 1.00 0.00 H new ATOM 0 HG22 THR A 53 5.157 7.699 4.939 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.987 7.677 3.364 1.00 0.00 H new ATOM 362 N ASP A 54 1.559 10.051 2.302 1.00 0.00 N ATOM 363 CA ASP A 54 0.606 11.129 2.066 1.00 0.00 C ATOM 364 C ASP A 54 -0.752 10.797 2.677 1.00 0.00 C ATOM 365 O ASP A 54 -0.901 9.798 3.380 1.00 0.00 O ATOM 366 CB ASP A 54 0.455 11.386 0.566 1.00 0.00 C ATOM 367 CG ASP A 54 1.510 12.335 0.032 1.00 0.00 C ATOM 368 OD1 ASP A 54 2.525 12.546 0.728 1.00 0.00 O ATOM 369 OD2 ASP A 54 1.321 12.865 -1.082 1.00 0.00 O ATOM 0 H ASP A 54 1.259 9.139 1.956 1.00 0.00 H new ATOM 0 HA ASP A 54 0.989 12.030 2.544 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.518 10.439 0.030 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.534 11.799 0.369 1.00 0.00 H new ATOM 374 N PHE A 55 -1.741 11.643 2.404 1.00 0.00 N ATOM 375 CA PHE A 55 -3.086 11.440 2.929 1.00 0.00 C ATOM 376 C PHE A 55 -4.102 11.334 1.795 1.00 0.00 C ATOM 377 O PHE A 55 -4.084 12.129 0.855 1.00 0.00 O ATOM 378 CB PHE A 55 -3.470 12.588 3.865 1.00 0.00 C ATOM 379 CG PHE A 55 -2.502 12.787 4.997 1.00 0.00 C ATOM 380 CD1 PHE A 55 -1.244 13.319 4.764 1.00 0.00 C ATOM 381 CD2 PHE A 55 -2.850 12.442 6.292 1.00 0.00 C ATOM 382 CE1 PHE A 55 -0.351 13.504 5.803 1.00 0.00 C ATOM 383 CE2 PHE A 55 -1.962 12.624 7.335 1.00 0.00 C ATOM 384 CZ PHE A 55 -0.710 13.155 7.090 1.00 0.00 C ATOM 0 H PHE A 55 -1.636 12.475 1.823 1.00 0.00 H new ATOM 0 HA PHE A 55 -3.093 10.505 3.489 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.537 13.510 3.288 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.462 12.396 4.275 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.958 13.592 3.759 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -3.827 12.026 6.489 1.00 0.00 H new ATOM 0 HE1 PHE A 55 0.626 13.921 5.608 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -2.246 12.351 8.341 1.00 0.00 H new ATOM 0 HZ PHE A 55 -0.014 13.297 7.903 1.00 0.00 H new ATOM 394 N ILE A 56 -4.985 10.345 1.890 1.00 0.00 N ATOM 395 CA ILE A 56 -6.008 10.135 0.873 1.00 0.00 C ATOM 396 C ILE A 56 -7.347 10.718 1.312 1.00 0.00 C ATOM 397 O ILE A 56 -8.239 9.990 1.748 1.00 0.00 O ATOM 398 CB ILE A 56 -6.190 8.638 0.560 1.00 0.00 C ATOM 399 CG1 ILE A 56 -4.866 8.027 0.094 1.00 0.00 C ATOM 400 CG2 ILE A 56 -7.268 8.446 -0.496 1.00 0.00 C ATOM 401 CD1 ILE A 56 -4.716 6.565 0.453 1.00 0.00 C ATOM 0 H ILE A 56 -5.012 9.677 2.660 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.669 10.648 -0.027 1.00 0.00 H new ATOM 0 HB ILE A 56 -6.504 8.127 1.470 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.785 8.137 -0.987 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.041 8.587 0.535 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -7.385 7.383 -0.707 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -8.212 8.850 -0.130 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.980 8.967 -1.409 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.755 6.198 0.092 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.765 6.449 1.536 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.520 5.992 -0.010 1.00 0.00 H new ATOM 413 N TRP A 57 -7.481 12.033 1.191 1.00 0.00 N ATOM 414 CA TRP A 57 -8.713 12.714 1.574 1.00 0.00 C ATOM 415 C TRP A 57 -8.948 13.944 0.704 1.00 0.00 C ATOM 416 O TRP A 57 -8.019 14.471 0.094 1.00 0.00 O ATOM 417 CB TRP A 57 -8.659 13.119 3.048 1.00 0.00 C ATOM 418 CG TRP A 57 -9.884 13.850 3.508 1.00 0.00 C ATOM 419 CD1 TRP A 57 -9.932 15.083 4.093 1.00 0.00 C ATOM 420 CD2 TRP A 57 -11.238 13.391 3.422 1.00 0.00 C ATOM 421 NE1 TRP A 57 -11.234 15.419 4.377 1.00 0.00 N ATOM 422 CE2 TRP A 57 -12.054 14.398 3.974 1.00 0.00 C ATOM 423 CE3 TRP A 57 -11.840 12.230 2.931 1.00 0.00 C ATOM 424 CZ2 TRP A 57 -13.439 14.276 4.048 1.00 0.00 C ATOM 425 CZ3 TRP A 57 -13.215 12.110 3.006 1.00 0.00 C ATOM 426 CH2 TRP A 57 -14.002 13.128 3.560 1.00 0.00 C ATOM 0 H TRP A 57 -6.753 12.649 0.831 1.00 0.00 H new ATOM 0 HA TRP A 57 -9.543 12.023 1.425 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -8.527 12.226 3.658 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -7.785 13.749 3.213 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -9.073 15.703 4.302 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -11.540 16.287 4.816 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -11.242 11.440 2.501 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -14.047 15.059 4.475 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -13.691 11.216 2.631 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -15.074 13.004 3.603 1.00 0.00 H new ATOM 437 N GLY A 58 -10.197 14.396 0.651 1.00 0.00 N ATOM 438 CA GLY A 58 -10.531 15.561 -0.148 1.00 0.00 C ATOM 439 C GLY A 58 -10.977 15.195 -1.549 1.00 0.00 C ATOM 440 O GLY A 58 -11.793 14.291 -1.731 1.00 0.00 O ATOM 0 H GLY A 58 -10.984 13.977 1.147 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -11.323 16.122 0.347 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -9.664 16.218 -0.206 1.00 0.00 H new ATOM 444 N ILE A 59 -10.444 15.899 -2.541 1.00 0.00 N ATOM 445 CA ILE A 59 -10.793 15.643 -3.933 1.00 0.00 C ATOM 446 C ILE A 59 -10.338 14.254 -4.368 1.00 0.00 C ATOM 447 O ILE A 59 -9.275 13.783 -3.964 1.00 0.00 O ATOM 448 CB ILE A 59 -10.169 16.693 -4.872 1.00 0.00 C ATOM 449 CG1 ILE A 59 -10.668 16.488 -6.304 1.00 0.00 C ATOM 450 CG2 ILE A 59 -8.651 16.616 -4.818 1.00 0.00 C ATOM 451 CD1 ILE A 59 -10.401 17.669 -7.212 1.00 0.00 C ATOM 0 H ILE A 59 -9.769 16.651 -2.407 1.00 0.00 H new ATOM 0 HA ILE A 59 -11.879 15.705 -4.002 1.00 0.00 H new ATOM 0 HB ILE A 59 -10.475 17.685 -4.539 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -10.190 15.602 -6.723 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -11.740 16.292 -6.282 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -8.225 17.364 -5.487 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -8.313 16.805 -3.799 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -8.326 15.623 -5.129 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -10.781 17.453 -8.211 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -10.901 18.553 -6.816 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -9.328 17.852 -7.264 1.00 0.00 H new ATOM 463 N GLY A 60 -11.150 13.603 -5.195 1.00 0.00 N ATOM 464 CA GLY A 60 -10.813 12.275 -5.673 1.00 0.00 C ATOM 465 C GLY A 60 -10.523 11.308 -4.541 1.00 0.00 C ATOM 466 O GLY A 60 -9.417 10.779 -4.435 1.00 0.00 O ATOM 0 H GLY A 60 -12.035 13.972 -5.543 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -11.636 11.889 -6.275 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.942 12.337 -6.326 1.00 0.00 H new ATOM 470 N LYS A 61 -11.519 11.078 -3.692 1.00 0.00 N ATOM 471 CA LYS A 61 -11.367 10.169 -2.562 1.00 0.00 C ATOM 472 C LYS A 61 -11.349 8.718 -3.030 1.00 0.00 C ATOM 473 O LYS A 61 -12.395 8.077 -3.135 1.00 0.00 O ATOM 474 CB LYS A 61 -12.502 10.378 -1.557 1.00 0.00 C ATOM 475 CG LYS A 61 -12.311 9.617 -0.257 1.00 0.00 C ATOM 476 CD LYS A 61 -12.704 8.157 -0.402 1.00 0.00 C ATOM 477 CE LYS A 61 -12.837 7.478 0.952 1.00 0.00 C ATOM 478 NZ LYS A 61 -14.194 7.665 1.536 1.00 0.00 N ATOM 0 H LYS A 61 -12.441 11.509 -3.765 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.416 10.388 -2.077 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -12.589 11.442 -1.336 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -13.442 10.069 -2.014 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.269 9.685 0.055 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -12.910 10.080 0.528 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -13.649 8.085 -0.940 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -11.956 7.636 -1.000 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.631 6.413 0.846 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -12.089 7.881 1.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -14.126 7.685 2.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -14.597 8.563 1.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -14.809 6.878 1.244 1.00 0.00 H new ATOM 492 N GLN A 62 -10.155 8.205 -3.309 1.00 0.00 N ATOM 493 CA GLN A 62 -10.002 6.829 -3.764 1.00 0.00 C ATOM 494 C GLN A 62 -8.810 6.160 -3.087 1.00 0.00 C ATOM 495 O GLN A 62 -7.668 6.587 -3.255 1.00 0.00 O ATOM 496 CB GLN A 62 -9.829 6.789 -5.284 1.00 0.00 C ATOM 497 CG GLN A 62 -10.272 5.477 -5.912 1.00 0.00 C ATOM 498 CD GLN A 62 -11.757 5.222 -5.745 1.00 0.00 C ATOM 499 OE1 GLN A 62 -12.166 4.322 -5.011 1.00 0.00 O ATOM 500 NE2 GLN A 62 -12.575 6.017 -6.426 1.00 0.00 N ATOM 0 H GLN A 62 -9.280 8.722 -3.228 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.904 6.281 -3.493 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -10.399 7.605 -5.728 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.781 6.963 -5.527 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -10.026 5.486 -6.974 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -9.713 4.656 -5.462 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -12.193 6.751 -7.023 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -13.585 5.894 -6.352 1.00 0.00 H new ATOM 509 N GLY A 63 -9.084 5.109 -2.320 1.00 0.00 N ATOM 510 CA GLY A 63 -8.024 4.399 -1.629 1.00 0.00 C ATOM 511 C GLY A 63 -8.248 2.900 -1.607 1.00 0.00 C ATOM 512 O GLY A 63 -9.361 2.435 -1.356 1.00 0.00 O ATOM 0 H GLY A 63 -10.021 4.737 -2.165 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.071 4.614 -2.113 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.951 4.767 -0.606 1.00 0.00 H new ATOM 516 N LEU A 64 -7.191 2.141 -1.871 1.00 0.00 N ATOM 517 CA LEU A 64 -7.277 0.685 -1.883 1.00 0.00 C ATOM 518 C LEU A 64 -6.439 0.081 -0.761 1.00 0.00 C ATOM 519 O LEU A 64 -5.213 0.192 -0.761 1.00 0.00 O ATOM 520 CB LEU A 64 -6.814 0.137 -3.233 1.00 0.00 C ATOM 521 CG LEU A 64 -7.499 0.726 -4.467 1.00 0.00 C ATOM 522 CD1 LEU A 64 -6.605 0.590 -5.690 1.00 0.00 C ATOM 523 CD2 LEU A 64 -8.840 0.048 -4.707 1.00 0.00 C ATOM 0 H LEU A 64 -6.263 2.510 -2.080 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.319 0.406 -1.724 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.741 0.306 -3.322 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.968 -0.942 -3.237 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.677 1.786 -4.288 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.109 1.015 -6.558 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.669 1.122 -5.518 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.395 -0.464 -5.872 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.313 0.480 -5.589 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.685 -1.019 -4.864 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.484 0.197 -3.840 1.00 0.00 H new ATOM 535 N GLN A 65 -7.108 -0.560 0.192 1.00 0.00 N ATOM 536 CA GLN A 65 -6.423 -1.183 1.318 1.00 0.00 C ATOM 537 C GLN A 65 -6.310 -2.691 1.120 1.00 0.00 C ATOM 538 O GLN A 65 -7.296 -3.364 0.816 1.00 0.00 O ATOM 539 CB GLN A 65 -7.164 -0.883 2.622 1.00 0.00 C ATOM 540 CG GLN A 65 -6.628 -1.653 3.818 1.00 0.00 C ATOM 541 CD GLN A 65 -7.117 -1.093 5.140 1.00 0.00 C ATOM 542 OE1 GLN A 65 -8.239 -1.367 5.566 1.00 0.00 O ATOM 543 NE2 GLN A 65 -6.274 -0.304 5.797 1.00 0.00 N ATOM 0 H GLN A 65 -8.123 -0.661 0.207 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.418 -0.766 1.375 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -7.099 0.185 2.829 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.220 -1.119 2.492 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.928 -2.698 3.737 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.538 -1.632 3.800 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.353 -0.104 5.406 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.547 0.101 6.692 1.00 0.00 H new ATOM 552 N CYS A 66 -5.102 -3.217 1.293 1.00 0.00 N ATOM 553 CA CYS A 66 -4.859 -4.645 1.133 1.00 0.00 C ATOM 554 C CYS A 66 -5.449 -5.432 2.299 1.00 0.00 C ATOM 555 O CYS A 66 -5.156 -5.152 3.461 1.00 0.00 O ATOM 556 CB CYS A 66 -3.357 -4.919 1.026 1.00 0.00 C ATOM 557 SG CYS A 66 -2.946 -6.623 0.527 1.00 0.00 S ATOM 0 H CYS A 66 -4.276 -2.675 1.544 1.00 0.00 H new ATOM 0 HA CYS A 66 -5.348 -4.970 0.215 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.922 -4.226 0.306 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -2.891 -4.711 1.989 1.00 0.00 H new ATOM 562 N GLN A 67 -6.282 -6.417 1.980 1.00 0.00 N ATOM 563 CA GLN A 67 -6.914 -7.244 3.001 1.00 0.00 C ATOM 564 C GLN A 67 -5.941 -8.291 3.533 1.00 0.00 C ATOM 565 O GLN A 67 -6.348 -9.276 4.148 1.00 0.00 O ATOM 566 CB GLN A 67 -8.159 -7.928 2.435 1.00 0.00 C ATOM 567 CG GLN A 67 -8.104 -8.145 0.931 1.00 0.00 C ATOM 568 CD GLN A 67 -9.149 -9.130 0.445 1.00 0.00 C ATOM 569 OE1 GLN A 67 -10.147 -8.743 -0.164 1.00 0.00 O ATOM 570 NE2 GLN A 67 -8.925 -10.411 0.711 1.00 0.00 N ATOM 0 H GLN A 67 -6.535 -6.662 1.023 1.00 0.00 H new ATOM 0 HA GLN A 67 -7.208 -6.596 3.826 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.290 -8.891 2.928 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -9.035 -7.325 2.675 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -8.247 -7.190 0.425 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -7.113 -8.507 0.656 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -8.084 -10.687 1.219 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.593 -11.119 0.408 1.00 0.00 H new ATOM 579 N VAL A 68 -4.653 -8.072 3.290 1.00 0.00 N ATOM 580 CA VAL A 68 -3.621 -8.997 3.744 1.00 0.00 C ATOM 581 C VAL A 68 -2.651 -8.311 4.700 1.00 0.00 C ATOM 582 O VAL A 68 -2.473 -8.745 5.839 1.00 0.00 O ATOM 583 CB VAL A 68 -2.829 -9.581 2.559 1.00 0.00 C ATOM 584 CG1 VAL A 68 -1.834 -10.624 3.044 1.00 0.00 C ATOM 585 CG2 VAL A 68 -3.776 -10.175 1.528 1.00 0.00 C ATOM 0 H VAL A 68 -4.299 -7.262 2.781 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.130 -9.808 4.266 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.270 -8.774 2.084 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.284 -11.025 2.193 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.136 -10.163 3.743 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -2.368 -11.432 3.544 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.200 -10.583 0.697 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.363 -10.970 1.988 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.445 -9.398 1.158 1.00 0.00 H new ATOM 595 N CYS A 69 -2.026 -7.237 4.230 1.00 0.00 N ATOM 596 CA CYS A 69 -1.073 -6.489 5.042 1.00 0.00 C ATOM 597 C CYS A 69 -1.586 -5.079 5.322 1.00 0.00 C ATOM 598 O CYS A 69 -0.802 -4.143 5.478 1.00 0.00 O ATOM 599 CB CYS A 69 0.284 -6.421 4.340 1.00 0.00 C ATOM 600 SG CYS A 69 0.211 -5.760 2.644 1.00 0.00 S ATOM 0 H CYS A 69 -2.162 -6.865 3.290 1.00 0.00 H new ATOM 0 HA CYS A 69 -0.956 -7.009 5.993 1.00 0.00 H new ATOM 0 HB2 CYS A 69 0.957 -5.800 4.932 1.00 0.00 H new ATOM 0 HB3 CYS A 69 0.716 -7.421 4.311 1.00 0.00 H new ATOM 605 N SER A 70 -2.906 -4.937 5.384 1.00 0.00 N ATOM 606 CA SER A 70 -3.523 -3.641 5.641 1.00 0.00 C ATOM 607 C SER A 70 -2.754 -2.524 4.942 1.00 0.00 C ATOM 608 O SER A 70 -2.687 -1.398 5.435 1.00 0.00 O ATOM 609 CB SER A 70 -3.583 -3.370 7.146 1.00 0.00 C ATOM 610 OG SER A 70 -2.305 -3.028 7.653 1.00 0.00 O ATOM 0 H SER A 70 -3.568 -5.703 5.260 1.00 0.00 H new ATOM 0 HA SER A 70 -4.537 -3.664 5.242 1.00 0.00 H new ATOM 0 HB2 SER A 70 -4.285 -2.561 7.345 1.00 0.00 H new ATOM 0 HB3 SER A 70 -3.959 -4.253 7.663 1.00 0.00 H new ATOM 0 HG SER A 70 -1.615 -3.307 7.016 1.00 0.00 H new ATOM 616 N PHE A 71 -2.174 -2.845 3.790 1.00 0.00 N ATOM 617 CA PHE A 71 -1.408 -1.870 3.023 1.00 0.00 C ATOM 618 C PHE A 71 -2.322 -1.054 2.114 1.00 0.00 C ATOM 619 O PHE A 71 -2.732 -1.516 1.049 1.00 0.00 O ATOM 620 CB PHE A 71 -0.337 -2.575 2.187 1.00 0.00 C ATOM 621 CG PHE A 71 0.593 -1.629 1.484 1.00 0.00 C ATOM 622 CD1 PHE A 71 1.591 -0.969 2.183 1.00 0.00 C ATOM 623 CD2 PHE A 71 0.471 -1.400 0.123 1.00 0.00 C ATOM 624 CE1 PHE A 71 2.448 -0.097 1.538 1.00 0.00 C ATOM 625 CE2 PHE A 71 1.326 -0.530 -0.528 1.00 0.00 C ATOM 626 CZ PHE A 71 2.316 0.122 0.181 1.00 0.00 C ATOM 0 H PHE A 71 -2.220 -3.772 3.368 1.00 0.00 H new ATOM 0 HA PHE A 71 -0.923 -1.192 3.726 1.00 0.00 H new ATOM 0 HB2 PHE A 71 0.245 -3.230 2.835 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.824 -3.210 1.447 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.701 -1.138 3.244 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -0.301 -1.907 -0.436 1.00 0.00 H new ATOM 0 HE1 PHE A 71 3.220 0.413 2.095 1.00 0.00 H new ATOM 0 HE2 PHE A 71 1.220 -0.360 -1.589 1.00 0.00 H new ATOM 0 HZ PHE A 71 2.986 0.802 -0.325 1.00 0.00 H new ATOM 636 N VAL A 72 -2.638 0.164 2.543 1.00 0.00 N ATOM 637 CA VAL A 72 -3.503 1.047 1.769 1.00 0.00 C ATOM 638 C VAL A 72 -2.715 2.212 1.181 1.00 0.00 C ATOM 639 O VAL A 72 -2.031 2.939 1.901 1.00 0.00 O ATOM 640 CB VAL A 72 -4.653 1.602 2.630 1.00 0.00 C ATOM 641 CG1 VAL A 72 -4.105 2.393 3.808 1.00 0.00 C ATOM 642 CG2 VAL A 72 -5.583 2.461 1.787 1.00 0.00 C ATOM 0 H VAL A 72 -2.308 0.562 3.422 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.921 0.450 0.959 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.227 0.763 3.023 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.932 2.777 4.405 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.484 1.744 4.425 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.506 3.226 3.440 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.390 2.845 2.412 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.024 3.295 1.364 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.003 1.859 0.981 1.00 0.00 H new ATOM 652 N VAL A 73 -2.816 2.384 -0.133 1.00 0.00 N ATOM 653 CA VAL A 73 -2.114 3.462 -0.819 1.00 0.00 C ATOM 654 C VAL A 73 -2.956 4.030 -1.956 1.00 0.00 C ATOM 655 O VAL A 73 -3.830 3.351 -2.495 1.00 0.00 O ATOM 656 CB VAL A 73 -0.764 2.983 -1.384 1.00 0.00 C ATOM 657 CG1 VAL A 73 0.180 2.597 -0.256 1.00 0.00 C ATOM 658 CG2 VAL A 73 -0.970 1.817 -2.340 1.00 0.00 C ATOM 0 H VAL A 73 -3.377 1.791 -0.744 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.933 4.242 -0.080 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.311 3.804 -1.940 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.129 2.261 -0.674 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.352 3.461 0.386 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.263 1.792 0.330 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.006 1.491 -2.730 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.445 0.991 -1.810 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.608 2.132 -3.166 1.00 0.00 H new ATOM 668 N HIS A 74 -2.686 5.280 -2.318 1.00 0.00 N ATOM 669 CA HIS A 74 -3.418 5.940 -3.393 1.00 0.00 C ATOM 670 C HIS A 74 -3.787 4.945 -4.489 1.00 0.00 C ATOM 671 O HIS A 74 -3.096 3.947 -4.694 1.00 0.00 O ATOM 672 CB HIS A 74 -2.585 7.079 -3.982 1.00 0.00 C ATOM 673 CG HIS A 74 -2.518 8.289 -3.102 1.00 0.00 C ATOM 674 ND1 HIS A 74 -1.337 8.787 -2.595 1.00 0.00 N ATOM 675 CD2 HIS A 74 -3.497 9.103 -2.641 1.00 0.00 C ATOM 676 CE1 HIS A 74 -1.591 9.854 -1.859 1.00 0.00 C ATOM 677 NE2 HIS A 74 -2.895 10.067 -1.871 1.00 0.00 N ATOM 0 H HIS A 74 -1.966 5.856 -1.883 1.00 0.00 H new ATOM 0 HA HIS A 74 -4.337 6.351 -2.975 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -1.573 6.719 -4.169 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -3.005 7.364 -4.947 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -4.554 9.011 -2.842 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -0.858 10.451 -1.337 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -3.376 10.825 -1.387 1.00 0.00 H new ATOM 685 N ARG A 75 -4.881 5.224 -5.191 1.00 0.00 N ATOM 686 CA ARG A 75 -5.343 4.352 -6.264 1.00 0.00 C ATOM 687 C ARG A 75 -4.271 4.198 -7.339 1.00 0.00 C ATOM 688 O ARG A 75 -4.075 3.111 -7.883 1.00 0.00 O ATOM 689 CB ARG A 75 -6.626 4.908 -6.885 1.00 0.00 C ATOM 690 CG ARG A 75 -7.579 3.832 -7.379 1.00 0.00 C ATOM 691 CD ARG A 75 -7.316 3.481 -8.835 1.00 0.00 C ATOM 692 NE ARG A 75 -6.182 2.573 -8.983 1.00 0.00 N ATOM 693 CZ ARG A 75 -5.803 2.053 -10.145 1.00 0.00 C ATOM 694 NH1 ARG A 75 -6.465 2.350 -11.255 1.00 0.00 N ATOM 695 NH2 ARG A 75 -4.760 1.234 -10.199 1.00 0.00 N ATOM 0 H ARG A 75 -5.463 6.047 -5.036 1.00 0.00 H new ATOM 0 HA ARG A 75 -5.549 3.371 -5.837 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -7.139 5.525 -6.147 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -6.364 5.560 -7.718 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -7.472 2.939 -6.763 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.607 4.176 -7.266 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -8.207 3.021 -9.264 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -7.125 4.394 -9.399 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.652 2.324 -8.148 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -7.267 2.979 -11.218 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -6.172 1.949 -12.146 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.248 1.003 -9.347 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.470 0.835 -11.092 1.00 0.00 H new ATOM 709 N ARG A 76 -3.580 5.292 -7.639 1.00 0.00 N ATOM 710 CA ARG A 76 -2.529 5.279 -8.649 1.00 0.00 C ATOM 711 C ARG A 76 -1.251 4.654 -8.097 1.00 0.00 C ATOM 712 O ARG A 76 -0.599 3.853 -8.767 1.00 0.00 O ATOM 713 CB ARG A 76 -2.243 6.701 -9.138 1.00 0.00 C ATOM 714 CG ARG A 76 -2.044 7.703 -8.012 1.00 0.00 C ATOM 715 CD ARG A 76 -1.560 9.044 -8.540 1.00 0.00 C ATOM 716 NE ARG A 76 -2.516 9.646 -9.465 1.00 0.00 N ATOM 717 CZ ARG A 76 -2.476 9.469 -10.781 1.00 0.00 C ATOM 718 NH1 ARG A 76 -1.532 8.713 -11.323 1.00 0.00 N ATOM 719 NH2 ARG A 76 -3.382 10.050 -11.558 1.00 0.00 N ATOM 0 H ARG A 76 -3.729 6.199 -7.197 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.875 4.676 -9.488 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.351 6.688 -9.764 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.069 7.033 -9.767 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.982 7.839 -7.475 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.321 7.310 -7.297 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.389 9.722 -7.704 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.603 8.911 -9.044 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.255 10.234 -9.080 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.834 8.265 -10.729 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.504 8.579 -12.334 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -4.110 10.633 -11.145 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.350 9.913 -12.568 1.00 0.00 H new ATOM 733 N CYS A 77 -0.899 5.025 -6.871 1.00 0.00 N ATOM 734 CA CYS A 77 0.300 4.502 -6.228 1.00 0.00 C ATOM 735 C CYS A 77 0.332 2.978 -6.294 1.00 0.00 C ATOM 736 O CYS A 77 1.398 2.373 -6.417 1.00 0.00 O ATOM 737 CB CYS A 77 0.364 4.962 -4.770 1.00 0.00 C ATOM 738 SG CYS A 77 0.987 6.660 -4.552 1.00 0.00 S ATOM 0 H CYS A 77 -1.428 5.687 -6.302 1.00 0.00 H new ATOM 0 HA CYS A 77 1.167 4.889 -6.763 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -0.633 4.894 -4.335 1.00 0.00 H new ATOM 0 HB3 CYS A 77 1.003 4.278 -4.212 1.00 0.00 H new ATOM 743 N HIS A 78 -0.843 2.363 -6.212 1.00 0.00 N ATOM 744 CA HIS A 78 -0.950 0.909 -6.263 1.00 0.00 C ATOM 745 C HIS A 78 -0.036 0.335 -7.341 1.00 0.00 C ATOM 746 O HIS A 78 0.889 -0.421 -7.046 1.00 0.00 O ATOM 747 CB HIS A 78 -2.397 0.492 -6.529 1.00 0.00 C ATOM 748 CG HIS A 78 -2.523 -0.847 -7.188 1.00 0.00 C ATOM 749 ND1 HIS A 78 -1.614 -1.867 -7.000 1.00 0.00 N ATOM 750 CD2 HIS A 78 -3.460 -1.331 -8.036 1.00 0.00 C ATOM 751 CE1 HIS A 78 -1.986 -2.920 -7.706 1.00 0.00 C ATOM 752 NE2 HIS A 78 -3.104 -2.621 -8.343 1.00 0.00 N ATOM 0 H HIS A 78 -1.734 2.848 -6.110 1.00 0.00 H new ATOM 0 HA HIS A 78 -0.637 0.512 -5.297 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -2.941 0.476 -5.585 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -2.873 1.244 -7.158 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -4.327 -0.801 -8.403 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -1.465 -3.865 -7.754 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -3.619 -3.247 -8.962 1.00 0.00 H new ATOM 760 N GLU A 79 -0.304 0.698 -8.592 1.00 0.00 N ATOM 761 CA GLU A 79 0.494 0.217 -9.714 1.00 0.00 C ATOM 762 C GLU A 79 1.954 0.636 -9.562 1.00 0.00 C ATOM 763 O GLU A 79 2.860 -0.044 -10.045 1.00 0.00 O ATOM 764 CB GLU A 79 -0.067 0.750 -11.033 1.00 0.00 C ATOM 765 CG GLU A 79 -0.169 2.265 -11.083 1.00 0.00 C ATOM 766 CD GLU A 79 -0.036 2.814 -12.490 1.00 0.00 C ATOM 767 OE1 GLU A 79 0.843 2.331 -13.235 1.00 0.00 O ATOM 768 OE2 GLU A 79 -0.811 3.725 -12.847 1.00 0.00 O ATOM 0 H GLU A 79 -1.067 1.323 -8.854 1.00 0.00 H new ATOM 0 HA GLU A 79 0.446 -0.872 -9.721 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.567 0.410 -11.852 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.056 0.322 -11.197 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.127 2.575 -10.666 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.608 2.698 -10.453 1.00 0.00 H new ATOM 775 N PHE A 80 2.174 1.760 -8.889 1.00 0.00 N ATOM 776 CA PHE A 80 3.522 2.272 -8.675 1.00 0.00 C ATOM 777 C PHE A 80 4.227 1.500 -7.563 1.00 0.00 C ATOM 778 O PHE A 80 5.456 1.442 -7.514 1.00 0.00 O ATOM 779 CB PHE A 80 3.477 3.761 -8.328 1.00 0.00 C ATOM 780 CG PHE A 80 3.218 4.646 -9.513 1.00 0.00 C ATOM 781 CD1 PHE A 80 3.892 4.441 -10.707 1.00 0.00 C ATOM 782 CD2 PHE A 80 2.302 5.683 -9.434 1.00 0.00 C ATOM 783 CE1 PHE A 80 3.656 5.254 -11.800 1.00 0.00 C ATOM 784 CE2 PHE A 80 2.062 6.498 -10.524 1.00 0.00 C ATOM 785 CZ PHE A 80 2.741 6.284 -11.708 1.00 0.00 C ATOM 0 H PHE A 80 1.436 2.334 -8.482 1.00 0.00 H new ATOM 0 HA PHE A 80 4.085 2.139 -9.599 1.00 0.00 H new ATOM 0 HB2 PHE A 80 2.699 3.929 -7.583 1.00 0.00 H new ATOM 0 HB3 PHE A 80 4.424 4.048 -7.871 1.00 0.00 H new ATOM 0 HD1 PHE A 80 4.609 3.637 -10.784 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.770 5.856 -8.510 1.00 0.00 H new ATOM 0 HE1 PHE A 80 4.187 5.084 -12.725 1.00 0.00 H new ATOM 0 HE2 PHE A 80 1.344 7.302 -10.450 1.00 0.00 H new ATOM 0 HZ PHE A 80 2.556 6.921 -12.560 1.00 0.00 H new ATOM 795 N VAL A 81 3.439 0.908 -6.671 1.00 0.00 N ATOM 796 CA VAL A 81 3.985 0.139 -5.560 1.00 0.00 C ATOM 797 C VAL A 81 5.044 -0.847 -6.042 1.00 0.00 C ATOM 798 O VAL A 81 4.929 -1.418 -7.127 1.00 0.00 O ATOM 799 CB VAL A 81 2.881 -0.634 -4.815 1.00 0.00 C ATOM 800 CG1 VAL A 81 3.490 -1.647 -3.858 1.00 0.00 C ATOM 801 CG2 VAL A 81 1.965 0.328 -4.073 1.00 0.00 C ATOM 0 H VAL A 81 2.420 0.947 -6.697 1.00 0.00 H new ATOM 0 HA VAL A 81 4.442 0.854 -4.876 1.00 0.00 H new ATOM 0 HB VAL A 81 2.284 -1.176 -5.548 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.694 -2.183 -3.341 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.100 -2.355 -4.418 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.112 -1.129 -3.128 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.191 -0.235 -3.552 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.547 0.899 -3.350 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.500 1.010 -4.785 1.00 0.00 H new ATOM 811 N THR A 82 6.076 -1.045 -5.227 1.00 0.00 N ATOM 812 CA THR A 82 7.155 -1.961 -5.570 1.00 0.00 C ATOM 813 C THR A 82 7.286 -3.070 -4.532 1.00 0.00 C ATOM 814 O THR A 82 7.552 -4.223 -4.870 1.00 0.00 O ATOM 815 CB THR A 82 8.502 -1.224 -5.689 1.00 0.00 C ATOM 816 OG1 THR A 82 9.545 -2.154 -6.003 1.00 0.00 O ATOM 817 CG2 THR A 82 8.837 -0.497 -4.395 1.00 0.00 C ATOM 0 H THR A 82 6.186 -0.583 -4.325 1.00 0.00 H new ATOM 0 HA THR A 82 6.902 -2.399 -6.536 1.00 0.00 H new ATOM 0 HB THR A 82 8.419 -0.489 -6.490 1.00 0.00 H new ATOM 0 HG1 THR A 82 10.397 -1.676 -6.078 1.00 0.00 H new ATOM 0 HG21 THR A 82 9.793 0.016 -4.503 1.00 0.00 H new ATOM 0 HG22 THR A 82 8.057 0.231 -4.174 1.00 0.00 H new ATOM 0 HG23 THR A 82 8.902 -1.217 -3.579 1.00 0.00 H new ATOM 825 N PHE A 83 7.097 -2.713 -3.265 1.00 0.00 N ATOM 826 CA PHE A 83 7.194 -3.679 -2.177 1.00 0.00 C ATOM 827 C PHE A 83 6.412 -4.947 -2.503 1.00 0.00 C ATOM 828 O PHE A 83 5.471 -4.921 -3.296 1.00 0.00 O ATOM 829 CB PHE A 83 6.673 -3.066 -0.875 1.00 0.00 C ATOM 830 CG PHE A 83 6.454 -4.074 0.217 1.00 0.00 C ATOM 831 CD1 PHE A 83 7.530 -4.633 0.887 1.00 0.00 C ATOM 832 CD2 PHE A 83 5.172 -4.462 0.572 1.00 0.00 C ATOM 833 CE1 PHE A 83 7.332 -5.560 1.893 1.00 0.00 C ATOM 834 CE2 PHE A 83 4.968 -5.389 1.577 1.00 0.00 C ATOM 835 CZ PHE A 83 6.049 -5.940 2.237 1.00 0.00 C ATOM 0 H PHE A 83 6.876 -1.763 -2.967 1.00 0.00 H new ATOM 0 HA PHE A 83 8.244 -3.943 -2.052 1.00 0.00 H new ATOM 0 HB2 PHE A 83 7.382 -2.314 -0.528 1.00 0.00 H new ATOM 0 HB3 PHE A 83 5.734 -2.550 -1.076 1.00 0.00 H new ATOM 0 HD1 PHE A 83 8.535 -4.341 0.620 1.00 0.00 H new ATOM 0 HD2 PHE A 83 4.323 -4.036 0.058 1.00 0.00 H new ATOM 0 HE1 PHE A 83 8.179 -5.987 2.409 1.00 0.00 H new ATOM 0 HE2 PHE A 83 3.964 -5.682 1.846 1.00 0.00 H new ATOM 0 HZ PHE A 83 5.892 -6.666 3.020 1.00 0.00 H new ATOM 845 N GLU A 84 6.809 -6.056 -1.887 1.00 0.00 N ATOM 846 CA GLU A 84 6.146 -7.335 -2.113 1.00 0.00 C ATOM 847 C GLU A 84 5.324 -7.745 -0.895 1.00 0.00 C ATOM 848 O GLU A 84 5.842 -7.823 0.220 1.00 0.00 O ATOM 849 CB GLU A 84 7.177 -8.419 -2.435 1.00 0.00 C ATOM 850 CG GLU A 84 8.060 -8.788 -1.255 1.00 0.00 C ATOM 851 CD GLU A 84 9.109 -9.824 -1.613 1.00 0.00 C ATOM 852 OE1 GLU A 84 8.801 -11.031 -1.532 1.00 0.00 O ATOM 853 OE2 GLU A 84 10.237 -9.427 -1.973 1.00 0.00 O ATOM 0 H GLU A 84 7.586 -6.095 -1.228 1.00 0.00 H new ATOM 0 HA GLU A 84 5.472 -7.221 -2.962 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.657 -9.312 -2.782 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.807 -8.077 -3.256 1.00 0.00 H new ATOM 0 HG2 GLU A 84 8.553 -7.891 -0.881 1.00 0.00 H new ATOM 0 HG3 GLU A 84 7.438 -9.171 -0.446 1.00 0.00 H new ATOM 860 N CYS A 85 4.040 -8.005 -1.115 1.00 0.00 N ATOM 861 CA CYS A 85 3.144 -8.406 -0.037 1.00 0.00 C ATOM 862 C CYS A 85 3.724 -9.583 0.743 1.00 0.00 C ATOM 863 O CYS A 85 4.205 -10.561 0.171 1.00 0.00 O ATOM 864 CB CYS A 85 1.771 -8.780 -0.599 1.00 0.00 C ATOM 865 SG CYS A 85 0.426 -8.728 0.629 1.00 0.00 S ATOM 0 H CYS A 85 3.596 -7.945 -2.031 1.00 0.00 H new ATOM 0 HA CYS A 85 3.033 -7.561 0.643 1.00 0.00 H new ATOM 0 HB2 CYS A 85 1.528 -8.102 -1.417 1.00 0.00 H new ATOM 0 HB3 CYS A 85 1.824 -9.783 -1.022 1.00 0.00 H new ATOM 870 N PRO A 86 3.678 -9.487 2.080 1.00 0.00 N ATOM 871 CA PRO A 86 4.193 -10.534 2.967 1.00 0.00 C ATOM 872 C PRO A 86 3.339 -11.797 2.930 1.00 0.00 C ATOM 873 O PRO A 86 3.859 -12.911 2.976 1.00 0.00 O ATOM 874 CB PRO A 86 4.131 -9.887 4.353 1.00 0.00 C ATOM 875 CG PRO A 86 3.060 -8.857 4.242 1.00 0.00 C ATOM 876 CD PRO A 86 3.118 -8.349 2.828 1.00 0.00 C ATOM 0 HA PRO A 86 5.192 -10.858 2.677 1.00 0.00 H new ATOM 0 HB2 PRO A 86 3.895 -10.622 5.123 1.00 0.00 H new ATOM 0 HB3 PRO A 86 5.086 -9.437 4.623 1.00 0.00 H new ATOM 0 HG2 PRO A 86 2.082 -9.285 4.463 1.00 0.00 H new ATOM 0 HG3 PRO A 86 3.222 -8.048 4.954 1.00 0.00 H new ATOM 0 HD2 PRO A 86 2.130 -8.073 2.459 1.00 0.00 H new ATOM 0 HD3 PRO A 86 3.748 -7.464 2.744 1.00 0.00 H new ATOM 884 N GLY A 87 2.025 -11.615 2.846 1.00 0.00 N ATOM 885 CA GLY A 87 1.120 -12.749 2.804 1.00 0.00 C ATOM 886 C GLY A 87 0.879 -13.246 1.393 1.00 0.00 C ATOM 887 O GLY A 87 1.293 -14.349 1.037 1.00 0.00 O ATOM 0 H GLY A 87 1.571 -10.703 2.806 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.530 -13.560 3.406 1.00 0.00 H new ATOM 0 HA3 GLY A 87 0.168 -12.467 3.254 1.00 0.00 H new ATOM 891 N ALA A 88 0.206 -12.431 0.587 1.00 0.00 N ATOM 892 CA ALA A 88 -0.090 -12.794 -0.793 1.00 0.00 C ATOM 893 C ALA A 88 1.086 -13.523 -1.433 1.00 0.00 C ATOM 894 O ALA A 88 2.225 -13.063 -1.366 1.00 0.00 O ATOM 895 CB ALA A 88 -0.448 -11.555 -1.600 1.00 0.00 C ATOM 0 H ALA A 88 -0.144 -11.515 0.866 1.00 0.00 H new ATOM 0 HA ALA A 88 -0.945 -13.471 -0.789 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -0.667 -11.841 -2.629 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -1.324 -11.076 -1.163 1.00 0.00 H new ATOM 0 HB3 ALA A 88 0.390 -10.858 -1.588 1.00 0.00 H new ATOM 901 N GLY A 89 0.803 -14.665 -2.053 1.00 0.00 N ATOM 902 CA GLY A 89 1.849 -15.440 -2.695 1.00 0.00 C ATOM 903 C GLY A 89 1.908 -16.867 -2.188 1.00 0.00 C ATOM 904 O GLY A 89 0.895 -17.427 -1.768 1.00 0.00 O ATOM 0 H GLY A 89 -0.132 -15.067 -2.122 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.682 -15.447 -3.772 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.811 -14.957 -2.524 1.00 0.00 H new ATOM 908 N LYS A 90 3.096 -17.459 -2.228 1.00 0.00 N ATOM 909 CA LYS A 90 3.285 -18.830 -1.770 1.00 0.00 C ATOM 910 C LYS A 90 4.315 -18.892 -0.647 1.00 0.00 C ATOM 911 O LYS A 90 5.520 -18.859 -0.894 1.00 0.00 O ATOM 912 CB LYS A 90 3.727 -19.722 -2.932 1.00 0.00 C ATOM 913 CG LYS A 90 2.635 -19.970 -3.958 1.00 0.00 C ATOM 914 CD LYS A 90 1.774 -21.163 -3.578 1.00 0.00 C ATOM 915 CE LYS A 90 2.507 -22.475 -3.808 1.00 0.00 C ATOM 916 NZ LYS A 90 2.344 -22.964 -5.205 1.00 0.00 N ATOM 0 H LYS A 90 3.944 -17.010 -2.574 1.00 0.00 H new ATOM 0 HA LYS A 90 2.332 -19.192 -1.385 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.582 -19.262 -3.428 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.066 -20.679 -2.536 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.009 -19.082 -4.047 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.085 -20.142 -4.936 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.485 -21.085 -2.530 1.00 0.00 H new ATOM 0 HD3 LYS A 90 0.855 -21.151 -4.164 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.567 -22.342 -3.591 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.132 -23.227 -3.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.858 -23.860 -5.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.335 -23.116 -5.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.725 -22.258 -5.867 1.00 0.00 H new ATOM 930 N GLY A 91 3.833 -18.983 0.589 1.00 0.00 N ATOM 931 CA GLY A 91 4.726 -19.049 1.731 1.00 0.00 C ATOM 932 C GLY A 91 4.682 -17.791 2.575 1.00 0.00 C ATOM 933 O GLY A 91 4.969 -16.690 2.103 1.00 0.00 O ATOM 0 H GLY A 91 2.840 -19.012 0.820 1.00 0.00 H new ATOM 0 HA2 GLY A 91 4.458 -19.907 2.348 1.00 0.00 H new ATOM 0 HA3 GLY A 91 5.745 -19.213 1.382 1.00 0.00 H new ATOM 937 N PRO A 92 4.314 -17.945 3.856 1.00 0.00 N ATOM 938 CA PRO A 92 4.224 -16.822 4.794 1.00 0.00 C ATOM 939 C PRO A 92 5.593 -16.256 5.153 1.00 0.00 C ATOM 940 O PRO A 92 6.603 -16.955 5.079 1.00 0.00 O ATOM 941 CB PRO A 92 3.561 -17.442 6.026 1.00 0.00 C ATOM 942 CG PRO A 92 3.901 -18.891 5.951 1.00 0.00 C ATOM 943 CD PRO A 92 3.958 -19.227 4.486 1.00 0.00 C ATOM 0 HA PRO A 92 3.671 -15.982 4.373 1.00 0.00 H new ATOM 0 HB2 PRO A 92 3.938 -16.994 6.946 1.00 0.00 H new ATOM 0 HB3 PRO A 92 2.482 -17.288 6.015 1.00 0.00 H new ATOM 0 HG2 PRO A 92 4.856 -19.093 6.435 1.00 0.00 H new ATOM 0 HG3 PRO A 92 3.151 -19.495 6.461 1.00 0.00 H new ATOM 0 HD2 PRO A 92 4.701 -19.997 4.279 1.00 0.00 H new ATOM 0 HD3 PRO A 92 3.001 -19.602 4.122 1.00 0.00 H new ATOM 951 N GLN A 93 5.619 -14.985 5.544 1.00 0.00 N ATOM 952 CA GLN A 93 6.866 -14.326 5.915 1.00 0.00 C ATOM 953 C GLN A 93 7.101 -14.412 7.419 1.00 0.00 C ATOM 954 O GLN A 93 6.203 -14.138 8.216 1.00 0.00 O ATOM 955 CB GLN A 93 6.844 -12.862 5.473 1.00 0.00 C ATOM 956 CG GLN A 93 7.183 -12.664 4.005 1.00 0.00 C ATOM 957 CD GLN A 93 8.638 -12.958 3.697 1.00 0.00 C ATOM 958 OE1 GLN A 93 8.959 -13.965 3.064 1.00 0.00 O ATOM 959 NE2 GLN A 93 9.527 -12.079 4.143 1.00 0.00 N ATOM 0 H GLN A 93 4.792 -14.392 5.612 1.00 0.00 H new ATOM 0 HA GLN A 93 7.684 -14.839 5.409 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.855 -12.447 5.668 1.00 0.00 H new ATOM 0 HB3 GLN A 93 7.552 -12.297 6.080 1.00 0.00 H new ATOM 0 HG2 GLN A 93 6.549 -13.312 3.399 1.00 0.00 H new ATOM 0 HG3 GLN A 93 6.955 -11.637 3.719 1.00 0.00 H new ATOM 0 HE21 GLN A 93 9.216 -11.259 4.663 1.00 0.00 H new ATOM 0 HE22 GLN A 93 10.521 -12.224 3.965 1.00 0.00 H new ATOM 968 N THR A 94 8.314 -14.796 7.803 1.00 0.00 N ATOM 969 CA THR A 94 8.667 -14.921 9.212 1.00 0.00 C ATOM 970 C THR A 94 8.889 -13.552 9.845 1.00 0.00 C ATOM 971 O THR A 94 9.052 -12.552 9.146 1.00 0.00 O ATOM 972 CB THR A 94 9.936 -15.773 9.400 1.00 0.00 C ATOM 973 OG1 THR A 94 10.164 -16.011 10.793 1.00 0.00 O ATOM 974 CG2 THR A 94 11.148 -15.081 8.794 1.00 0.00 C ATOM 0 H THR A 94 9.069 -15.026 7.157 1.00 0.00 H new ATOM 0 HA THR A 94 7.831 -15.416 9.705 1.00 0.00 H new ATOM 0 HB THR A 94 9.787 -16.724 8.889 1.00 0.00 H new ATOM 0 HG1 THR A 94 10.972 -16.555 10.904 1.00 0.00 H new ATOM 0 HG21 THR A 94 12.032 -15.702 8.939 1.00 0.00 H new ATOM 0 HG22 THR A 94 10.984 -14.927 7.727 1.00 0.00 H new ATOM 0 HG23 THR A 94 11.298 -14.117 9.281 1.00 0.00 H new ATOM 982 N ASP A 95 8.896 -13.515 11.173 1.00 0.00 N ATOM 983 CA ASP A 95 9.100 -12.268 11.902 1.00 0.00 C ATOM 984 C ASP A 95 10.000 -12.488 13.114 1.00 0.00 C ATOM 985 O ASP A 95 10.247 -13.625 13.518 1.00 0.00 O ATOM 986 CB ASP A 95 7.757 -11.687 12.347 1.00 0.00 C ATOM 987 CG ASP A 95 6.840 -11.387 11.178 1.00 0.00 C ATOM 988 OD1 ASP A 95 6.501 -12.330 10.433 1.00 0.00 O ATOM 989 OD2 ASP A 95 6.461 -10.209 11.007 1.00 0.00 O ATOM 0 H ASP A 95 8.763 -14.334 11.767 1.00 0.00 H new ATOM 0 HA ASP A 95 9.589 -11.560 11.233 1.00 0.00 H new ATOM 0 HB2 ASP A 95 7.265 -12.390 13.020 1.00 0.00 H new ATOM 0 HB3 ASP A 95 7.930 -10.772 12.913 1.00 0.00 H new ATOM 994 N ASP A 96 10.488 -11.394 13.688 1.00 0.00 N ATOM 995 CA ASP A 96 11.361 -11.468 14.854 1.00 0.00 C ATOM 996 C ASP A 96 10.555 -11.745 16.120 1.00 0.00 C ATOM 997 O ASP A 96 9.416 -11.303 16.269 1.00 0.00 O ATOM 998 CB ASP A 96 12.148 -10.166 15.012 1.00 0.00 C ATOM 999 CG ASP A 96 13.244 -10.023 13.974 1.00 0.00 C ATOM 1000 OD1 ASP A 96 13.099 -10.598 12.875 1.00 0.00 O ATOM 1001 OD2 ASP A 96 14.248 -9.337 14.262 1.00 0.00 O ATOM 0 H ASP A 96 10.294 -10.446 13.365 1.00 0.00 H new ATOM 0 HA ASP A 96 12.060 -12.290 14.702 1.00 0.00 H new ATOM 0 HB2 ASP A 96 11.465 -9.320 14.934 1.00 0.00 H new ATOM 0 HB3 ASP A 96 12.588 -10.129 16.008 1.00 0.00 H new ATOM 1006 N PRO A 97 11.158 -12.496 17.053 1.00 0.00 N ATOM 1007 CA PRO A 97 10.515 -12.851 18.322 1.00 0.00 C ATOM 1008 C PRO A 97 10.360 -11.650 19.248 1.00 0.00 C ATOM 1009 O PRO A 97 9.985 -11.796 20.412 1.00 0.00 O ATOM 1010 CB PRO A 97 11.474 -13.876 18.931 1.00 0.00 C ATOM 1011 CG PRO A 97 12.800 -13.559 18.330 1.00 0.00 C ATOM 1012 CD PRO A 97 12.516 -13.057 16.942 1.00 0.00 C ATOM 0 HA PRO A 97 9.503 -13.229 18.175 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.502 -13.795 20.018 1.00 0.00 H new ATOM 0 HB3 PRO A 97 11.166 -14.895 18.696 1.00 0.00 H new ATOM 0 HG2 PRO A 97 13.325 -12.806 18.918 1.00 0.00 H new ATOM 0 HG3 PRO A 97 13.437 -14.443 18.303 1.00 0.00 H new ATOM 0 HD2 PRO A 97 13.239 -12.302 16.632 1.00 0.00 H new ATOM 0 HD3 PRO A 97 12.560 -13.861 16.207 1.00 0.00 H new ATOM 1020 N ARG A 98 10.651 -10.463 18.725 1.00 0.00 N ATOM 1021 CA ARG A 98 10.544 -9.237 19.506 1.00 0.00 C ATOM 1022 C ARG A 98 9.219 -9.186 20.260 1.00 0.00 C ATOM 1023 O ARG A 98 8.218 -9.747 19.815 1.00 0.00 O ATOM 1024 CB ARG A 98 10.672 -8.014 18.596 1.00 0.00 C ATOM 1025 CG ARG A 98 12.110 -7.595 18.337 1.00 0.00 C ATOM 1026 CD ARG A 98 12.200 -6.578 17.211 1.00 0.00 C ATOM 1027 NE ARG A 98 13.474 -5.864 17.218 1.00 0.00 N ATOM 1028 CZ ARG A 98 13.726 -4.818 17.999 1.00 0.00 C ATOM 1029 NH1 ARG A 98 12.797 -4.369 18.830 1.00 0.00 N ATOM 1030 NH2 ARG A 98 14.910 -4.222 17.948 1.00 0.00 N ATOM 0 H ARG A 98 10.963 -10.325 17.764 1.00 0.00 H new ATOM 0 HA ARG A 98 11.356 -9.228 20.233 1.00 0.00 H new ATOM 0 HB2 ARG A 98 10.188 -8.228 17.643 1.00 0.00 H new ATOM 0 HB3 ARG A 98 10.135 -7.179 19.046 1.00 0.00 H new ATOM 0 HG2 ARG A 98 12.536 -7.171 19.246 1.00 0.00 H new ATOM 0 HG3 ARG A 98 12.706 -8.472 18.085 1.00 0.00 H new ATOM 0 HD2 ARG A 98 12.074 -7.085 16.254 1.00 0.00 H new ATOM 0 HD3 ARG A 98 11.383 -5.862 17.303 1.00 0.00 H new ATOM 0 HE ARG A 98 14.210 -6.185 16.590 1.00 0.00 H new ATOM 0 HH11 ARG A 98 11.886 -4.826 18.872 1.00 0.00 H new ATOM 0 HH12 ARG A 98 12.993 -3.566 19.428 1.00 0.00 H new ATOM 0 HH21 ARG A 98 15.627 -4.566 17.310 1.00 0.00 H new ATOM 0 HH22 ARG A 98 15.103 -3.419 18.547 1.00 0.00 H new ATOM 1044 N ASN A 99 9.220 -8.510 21.405 1.00 0.00 N ATOM 1045 CA ASN A 99 8.019 -8.387 22.222 1.00 0.00 C ATOM 1046 C ASN A 99 8.019 -7.073 22.996 1.00 0.00 C ATOM 1047 O ASN A 99 9.001 -6.330 22.980 1.00 0.00 O ATOM 1048 CB ASN A 99 7.914 -9.565 23.193 1.00 0.00 C ATOM 1049 CG ASN A 99 8.956 -9.501 24.293 1.00 0.00 C ATOM 1050 OD1 ASN A 99 10.068 -9.017 24.082 1.00 0.00 O ATOM 1051 ND2 ASN A 99 8.600 -9.991 25.474 1.00 0.00 N ATOM 0 H ASN A 99 10.040 -8.039 21.788 1.00 0.00 H new ATOM 0 HA ASN A 99 7.155 -8.395 21.557 1.00 0.00 H new ATOM 0 HB2 ASN A 99 6.919 -9.578 23.639 1.00 0.00 H new ATOM 0 HB3 ASN A 99 8.028 -10.498 22.642 1.00 0.00 H new ATOM 0 HD21 ASN A 99 9.259 -9.976 26.252 1.00 0.00 H new ATOM 0 HD22 ASN A 99 7.667 -10.383 25.603 1.00 0.00 H new ATOM 1058 N LYS A 100 6.912 -6.792 23.675 1.00 0.00 N ATOM 1059 CA LYS A 100 6.784 -5.569 24.458 1.00 0.00 C ATOM 1060 C LYS A 100 6.586 -5.888 25.937 1.00 0.00 C ATOM 1061 O LYS A 100 6.207 -7.003 26.296 1.00 0.00 O ATOM 1062 CB LYS A 100 5.612 -4.730 23.945 1.00 0.00 C ATOM 1063 CG LYS A 100 5.587 -3.316 24.498 1.00 0.00 C ATOM 1064 CD LYS A 100 4.419 -2.520 23.941 1.00 0.00 C ATOM 1065 CE LYS A 100 4.367 -1.119 24.532 1.00 0.00 C ATOM 1066 NZ LYS A 100 3.605 -0.179 23.664 1.00 0.00 N ATOM 0 H LYS A 100 6.090 -7.395 23.699 1.00 0.00 H new ATOM 0 HA LYS A 100 7.706 -4.999 24.347 1.00 0.00 H new ATOM 0 HB2 LYS A 100 5.658 -4.685 22.857 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.678 -5.229 24.204 1.00 0.00 H new ATOM 0 HG2 LYS A 100 5.519 -3.351 25.585 1.00 0.00 H new ATOM 0 HG3 LYS A 100 6.522 -2.812 24.253 1.00 0.00 H new ATOM 0 HD2 LYS A 100 4.506 -2.456 22.856 1.00 0.00 H new ATOM 0 HD3 LYS A 100 3.486 -3.042 24.156 1.00 0.00 H new ATOM 0 HE2 LYS A 100 3.905 -1.158 25.519 1.00 0.00 H new ATOM 0 HE3 LYS A 100 5.382 -0.745 24.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 3.593 0.765 24.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 4.060 -0.122 22.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 2.630 -0.522 23.553 1.00 0.00 H new ATOM 1080 N HIS A 101 6.842 -4.901 26.790 1.00 0.00 N ATOM 1081 CA HIS A 101 6.690 -5.077 28.230 1.00 0.00 C ATOM 1082 C HIS A 101 5.323 -5.668 28.563 1.00 0.00 C ATOM 1083 O HIS A 101 4.527 -5.962 27.671 1.00 0.00 O ATOM 1084 CB HIS A 101 6.869 -3.740 28.950 1.00 0.00 C ATOM 1085 CG HIS A 101 8.298 -3.306 29.059 1.00 0.00 C ATOM 1086 ND1 HIS A 101 9.168 -3.302 27.989 1.00 0.00 N ATOM 1087 CD2 HIS A 101 9.009 -2.857 30.120 1.00 0.00 C ATOM 1088 CE1 HIS A 101 10.352 -2.872 28.387 1.00 0.00 C ATOM 1089 NE2 HIS A 101 10.282 -2.595 29.677 1.00 0.00 N ATOM 0 H HIS A 101 7.155 -3.972 26.509 1.00 0.00 H new ATOM 0 HA HIS A 101 7.459 -5.770 28.570 1.00 0.00 H new ATOM 0 HB2 HIS A 101 6.304 -2.973 28.420 1.00 0.00 H new ATOM 0 HB3 HIS A 101 6.443 -3.816 29.951 1.00 0.00 H new ATOM 0 HD2 HIS A 101 8.643 -2.729 31.128 1.00 0.00 H new ATOM 0 HE1 HIS A 101 11.228 -2.765 27.764 1.00 0.00 H new ATOM 0 HE2 HIS A 101 11.049 -2.244 30.251 1.00 0.00 H new ATOM 1097 N LYS A 102 5.057 -5.841 29.854 1.00 0.00 N ATOM 1098 CA LYS A 102 3.788 -6.396 30.306 1.00 0.00 C ATOM 1099 C LYS A 102 3.014 -5.379 31.138 1.00 0.00 C ATOM 1100 O LYS A 102 3.583 -4.404 31.632 1.00 0.00 O ATOM 1101 CB LYS A 102 4.026 -7.666 31.127 1.00 0.00 C ATOM 1102 CG LYS A 102 4.587 -7.398 32.513 1.00 0.00 C ATOM 1103 CD LYS A 102 6.105 -7.461 32.522 1.00 0.00 C ATOM 1104 CE LYS A 102 6.686 -6.727 33.721 1.00 0.00 C ATOM 1105 NZ LYS A 102 6.801 -7.613 34.912 1.00 0.00 N ATOM 0 H LYS A 102 5.705 -5.604 30.605 1.00 0.00 H new ATOM 0 HA LYS A 102 3.196 -6.645 29.425 1.00 0.00 H new ATOM 0 HB2 LYS A 102 3.085 -8.208 31.224 1.00 0.00 H new ATOM 0 HB3 LYS A 102 4.714 -8.315 30.585 1.00 0.00 H new ATOM 0 HG2 LYS A 102 4.261 -6.416 32.855 1.00 0.00 H new ATOM 0 HG3 LYS A 102 4.187 -8.129 33.216 1.00 0.00 H new ATOM 0 HD2 LYS A 102 6.427 -8.502 32.540 1.00 0.00 H new ATOM 0 HD3 LYS A 102 6.494 -7.023 31.603 1.00 0.00 H new ATOM 0 HE2 LYS A 102 7.670 -6.334 33.464 1.00 0.00 H new ATOM 0 HE3 LYS A 102 6.055 -5.872 33.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 7.201 -7.075 35.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 5.859 -7.968 35.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 7.424 -8.416 34.689 1.00 0.00 H new ATOM 1119 N PHE A 103 1.715 -5.611 31.292 1.00 0.00 N ATOM 1120 CA PHE A 103 0.864 -4.715 32.065 1.00 0.00 C ATOM 1121 C PHE A 103 -0.238 -5.492 32.779 1.00 0.00 C ATOM 1122 O PHE A 103 -0.600 -6.595 32.369 1.00 0.00 O ATOM 1123 CB PHE A 103 0.245 -3.652 31.154 1.00 0.00 C ATOM 1124 CG PHE A 103 -0.320 -2.478 31.901 1.00 0.00 C ATOM 1125 CD1 PHE A 103 0.486 -1.404 32.243 1.00 0.00 C ATOM 1126 CD2 PHE A 103 -1.658 -2.447 32.260 1.00 0.00 C ATOM 1127 CE1 PHE A 103 -0.031 -0.323 32.930 1.00 0.00 C ATOM 1128 CE2 PHE A 103 -2.181 -1.368 32.948 1.00 0.00 C ATOM 1129 CZ PHE A 103 -1.367 -0.304 33.282 1.00 0.00 C ATOM 0 H PHE A 103 1.228 -6.413 30.891 1.00 0.00 H new ATOM 0 HA PHE A 103 1.484 -4.225 32.816 1.00 0.00 H new ATOM 0 HB2 PHE A 103 1.003 -3.297 30.456 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -0.546 -4.110 30.560 1.00 0.00 H new ATOM 0 HD1 PHE A 103 1.531 -1.412 31.969 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -2.300 -3.276 31.999 1.00 0.00 H new ATOM 0 HE1 PHE A 103 0.609 0.507 33.192 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -3.225 -1.357 33.224 1.00 0.00 H new ATOM 0 HZ PHE A 103 -1.774 0.541 33.817 1.00 0.00 H new ATOM 1139 N ARG A 104 -0.767 -4.909 33.850 1.00 0.00 N ATOM 1140 CA ARG A 104 -1.826 -5.547 34.622 1.00 0.00 C ATOM 1141 C ARG A 104 -2.837 -4.515 35.114 1.00 0.00 C ATOM 1142 O ARG A 104 -2.494 -3.355 35.347 1.00 0.00 O ATOM 1143 CB ARG A 104 -1.234 -6.303 35.813 1.00 0.00 C ATOM 1144 CG ARG A 104 -2.097 -7.459 36.291 1.00 0.00 C ATOM 1145 CD ARG A 104 -1.620 -7.993 37.633 1.00 0.00 C ATOM 1146 NE ARG A 104 -2.716 -8.547 38.423 1.00 0.00 N ATOM 1147 CZ ARG A 104 -2.546 -9.158 39.589 1.00 0.00 C ATOM 1148 NH1 ARG A 104 -1.329 -9.293 40.099 1.00 0.00 N ATOM 1149 NH2 ARG A 104 -3.593 -9.636 40.249 1.00 0.00 N ATOM 0 H ARG A 104 -0.479 -3.996 34.202 1.00 0.00 H new ATOM 0 HA ARG A 104 -2.340 -6.254 33.971 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -0.251 -6.684 35.538 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -1.086 -5.606 36.638 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -3.133 -7.130 36.376 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -2.077 -8.260 35.552 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -0.866 -8.763 37.469 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -1.140 -7.190 38.192 1.00 0.00 H new ATOM 0 HE ARG A 104 -3.665 -8.460 38.059 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -0.521 -8.927 39.595 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -1.201 -9.763 40.995 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -4.531 -9.534 39.860 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -3.460 -10.105 41.145 1.00 0.00 H new ATOM 1163 N LEU A 105 -4.085 -4.944 35.270 1.00 0.00 N ATOM 1164 CA LEU A 105 -5.147 -4.058 35.734 1.00 0.00 C ATOM 1165 C LEU A 105 -5.170 -3.987 37.257 1.00 0.00 C ATOM 1166 O LEU A 105 -4.750 -2.992 37.848 1.00 0.00 O ATOM 1167 CB LEU A 105 -6.503 -4.539 35.214 1.00 0.00 C ATOM 1168 CG LEU A 105 -7.733 -3.941 35.895 1.00 0.00 C ATOM 1169 CD1 LEU A 105 -7.929 -2.494 35.470 1.00 0.00 C ATOM 1170 CD2 LEU A 105 -8.973 -4.765 35.577 1.00 0.00 C ATOM 0 H LEU A 105 -4.386 -5.900 35.082 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.949 -3.059 35.345 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -6.560 -4.319 34.148 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.546 -5.623 35.318 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.573 -3.963 36.973 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -8.810 -2.085 35.965 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -7.052 -1.911 35.750 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -8.066 -2.447 34.390 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -9.839 -4.324 36.070 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -9.136 -4.776 34.499 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -8.833 -5.786 35.933 1.00 0.00 H new TER 1182 LEU A 105 HETATM 1183 ZN ZN A 201 0.472 7.705 -2.572 1.00 0.00 ZN HETATM 1184 ZN ZN A 401 -0.599 -6.825 0.942 1.00 0.00 ZN