USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 878 hydrogens (32 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 18 HIS HE2 : A 18 HIS NE2 : A 104 HECFE :(H bumps) USER MOD NoAdj-H: A 71 HIS HE2 : A 71 HIS NE2 : A 104 HECFE :(H bumps) USER MOD NoAdj-H: A 104 HEC HAC : A 104 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 104 HEC HAB : A 104 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 104 HEC H2D : A 104 HEC O2D : A 104 HEC CGD :(short bond) USER MOD NoAdj-H: A 104 HEC H2A : A 104 HEC O2A : A 104 HEC CGA :(short bond) USER MOD Set 1.1: A 40 SER OG : rot 11:sc= 0.0173! USER MOD Set 1.2: A 52 ASN : amide:sc= -10.5! C(o=-11!,f=-9.6!) USER MOD Set 2.1: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 26 HIS : no HD1:sc= -9.86! C(o=-13!,f=-21!) USER MOD Set 2.3: A 31 ASN : amide:sc= -3.1! C(o=-13!,f=-20!) USER MOD Set 3.1: A -5 THR N :NH3+ 155:sc= 1.41 (180deg=0.0192) USER MOD Set 3.2: A 62 ASN : amide:sc= 0.879 K(o=2.3,f=-13!) USER MOD Set 4.1: A 5 LYS NZ :NH3+ -177:sc= -0.927 (180deg=0) USER MOD Set 4.2: A 89 LYS NZ :NH3+ -169:sc= -1.86 (180deg=-0.969) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A -2 LYS NZ :NH3+ 154:sc= -0.106 (180deg=-0.668) USER MOD Single : A -5 THR OG1 : rot 180:sc= 0.0102 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -45:sc= 0.507 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -3.2! C(o=-3.2!,f=-4.1!) USER MOD Single : A 39 HIS : no HD1:sc= -1.19 K(o=-1.2,f=-0.2) USER MOD Single : A 42 GLN : amide:sc= -3.6! C(o=-3.6!,f=-10!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -1.99! USER MOD Single : A 49 THR OG1 : rot 86:sc= 0.0846 USER MOD Single : A 54 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.122) USER MOD Single : A 55 LYS NZ :NH3+ -107:sc= 0.0254 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -1.44! C(o=-1.4!,f=-6.5!) USER MOD Single : A 63 ASN : amide:sc=-0.00307 K(o=-0.0031,f=-1.5!) USER MOD Single : A 64 MET CE :methyl 156:sc= -0.524 (180deg=-1.66) USER MOD Single : A 65 SER OG : rot -49:sc= 0.689 USER MOD Single : A 67 TYR OH : rot 180:sc= -1.45 USER MOD Single : A 69 THR OG1 : rot 95:sc= -2.27! USER MOD Single : A 70 ASN : amide:sc= -0.0841 X(o=-0.084,f=-0.12) USER MOD Single : A 73 LYS NZ :NH3+ -162:sc= -0.128 (180deg=-0.744) USER MOD Single : A 74 TYR OH : rot 30:sc= -3.7! USER MOD Single : A 78 THR OG1 : rot 117:sc= -4.21! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 140:sc= -0.149 (180deg=-2.61!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -168:sc= -2.98 (180deg=-3.88!) USER MOD Single : A 92 ASN : amide:sc= -1.79 K(o=-1.8,f=-2.9!) USER MOD Single : A 96 THR OG1 : rot 70:sc= 0.387 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -116:sc= 0.191 (180deg=-0.22) USER MOD Single : A 100 LYS NZ :NH3+ -161:sc= -0.189 (180deg=-0.863) USER MOD Single : A 102 THR OG1 : rot 80:sc= 0.309 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 -14.851 2.779 6.573 1.00 0.00 N ATOM 2 CA THR A -5 -15.138 4.059 7.281 1.00 0.00 C ATOM 3 C THR A -5 -14.930 5.231 6.320 1.00 0.00 C ATOM 4 O THR A -5 -14.305 5.094 5.285 1.00 0.00 O ATOM 5 CB THR A -5 -14.192 4.205 8.476 1.00 0.00 C ATOM 6 OG1 THR A -5 -13.945 2.924 9.040 1.00 0.00 O ATOM 7 CG2 THR A -5 -14.831 5.113 9.527 1.00 0.00 C ATOM 0 H1 THR A -5 -14.576 2.053 7.265 1.00 0.00 H new ATOM 0 H2 THR A -5 -15.702 2.466 6.063 1.00 0.00 H new ATOM 0 H3 THR A -5 -14.075 2.923 5.896 1.00 0.00 H new ATOM 0 HA THR A -5 -16.170 4.056 7.633 1.00 0.00 H new ATOM 0 HB THR A -5 -13.251 4.645 8.144 1.00 0.00 H new ATOM 0 HG1 THR A -5 -13.338 3.015 9.804 1.00 0.00 H new ATOM 0 HG21 THR A -5 -14.157 5.216 10.377 1.00 0.00 H new ATOM 0 HG22 THR A -5 -15.020 6.095 9.093 1.00 0.00 H new ATOM 0 HG23 THR A -5 -15.772 4.676 9.861 1.00 0.00 H new ATOM 17 N GLU A -4 -15.446 6.383 6.651 1.00 0.00 N ATOM 18 CA GLU A -4 -15.276 7.561 5.756 1.00 0.00 C ATOM 19 C GLU A -4 -13.785 7.830 5.545 1.00 0.00 C ATOM 20 O GLU A -4 -12.982 7.662 6.441 1.00 0.00 O ATOM 21 CB GLU A -4 -15.930 8.786 6.396 1.00 0.00 C ATOM 22 CG GLU A -4 -17.431 8.539 6.559 1.00 0.00 C ATOM 23 CD GLU A -4 -18.097 9.791 7.132 1.00 0.00 C ATOM 24 OE1 GLU A -4 -17.376 10.694 7.525 1.00 0.00 O ATOM 25 OE2 GLU A -4 -19.316 9.826 7.169 1.00 0.00 O ATOM 0 H GLU A -4 -15.978 6.559 7.503 1.00 0.00 H new ATOM 0 HA GLU A -4 -15.748 7.358 4.795 1.00 0.00 H new ATOM 0 HB2 GLU A -4 -15.477 8.988 7.367 1.00 0.00 H new ATOM 0 HB3 GLU A -4 -15.761 9.667 5.776 1.00 0.00 H new ATOM 0 HG2 GLU A -4 -17.875 8.287 5.596 1.00 0.00 H new ATOM 0 HG3 GLU A -4 -17.600 7.689 7.220 1.00 0.00 H new ATOM 32 N PHE A -3 -13.408 8.245 4.367 1.00 0.00 N ATOM 33 CA PHE A -3 -11.970 8.522 4.100 1.00 0.00 C ATOM 34 C PHE A -3 -11.709 10.029 4.173 1.00 0.00 C ATOM 35 O PHE A -3 -12.401 10.820 3.562 1.00 0.00 O ATOM 36 CB PHE A -3 -11.600 8.009 2.710 1.00 0.00 C ATOM 37 CG PHE A -3 -10.136 8.270 2.452 1.00 0.00 C ATOM 38 CD1 PHE A -3 -9.171 7.358 2.896 1.00 0.00 C ATOM 39 CD2 PHE A -3 -9.743 9.428 1.772 1.00 0.00 C ATOM 40 CE1 PHE A -3 -7.814 7.604 2.659 1.00 0.00 C ATOM 41 CE2 PHE A -3 -8.387 9.675 1.535 1.00 0.00 C ATOM 42 CZ PHE A -3 -7.421 8.765 1.979 1.00 0.00 C ATOM 0 H PHE A -3 -14.035 8.404 3.578 1.00 0.00 H new ATOM 0 HA PHE A -3 -11.363 8.015 4.850 1.00 0.00 H new ATOM 0 HB2 PHE A -3 -11.809 6.942 2.637 1.00 0.00 H new ATOM 0 HB3 PHE A -3 -12.208 8.505 1.954 1.00 0.00 H new ATOM 0 HD1 PHE A -3 -9.474 6.464 3.422 1.00 0.00 H new ATOM 0 HD2 PHE A -3 -10.487 10.132 1.430 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -7.070 6.900 3.000 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -8.085 10.569 1.009 1.00 0.00 H new ATOM 0 HZ PHE A -3 -6.374 8.957 1.798 1.00 0.00 H new ATOM 52 N LYS A -2 -10.712 10.429 4.914 1.00 0.00 N ATOM 53 CA LYS A -2 -10.396 11.880 5.027 1.00 0.00 C ATOM 54 C LYS A -2 -9.156 12.190 4.186 1.00 0.00 C ATOM 55 O LYS A -2 -8.316 11.340 3.969 1.00 0.00 O ATOM 56 CB LYS A -2 -10.121 12.232 6.492 1.00 0.00 C ATOM 57 CG LYS A -2 -11.299 11.786 7.364 1.00 0.00 C ATOM 58 CD LYS A -2 -12.548 12.599 7.014 1.00 0.00 C ATOM 59 CE LYS A -2 -13.591 12.430 8.121 1.00 0.00 C ATOM 60 NZ LYS A -2 -13.112 13.106 9.360 1.00 0.00 N ATOM 0 H LYS A -2 -10.101 9.811 5.448 1.00 0.00 H new ATOM 0 HA LYS A -2 -11.240 12.468 4.668 1.00 0.00 H new ATOM 0 HB2 LYS A -2 -9.205 11.745 6.826 1.00 0.00 H new ATOM 0 HB3 LYS A -2 -9.967 13.306 6.595 1.00 0.00 H new ATOM 0 HG2 LYS A -2 -11.492 10.724 7.213 1.00 0.00 H new ATOM 0 HG3 LYS A -2 -11.053 11.918 8.418 1.00 0.00 H new ATOM 0 HD2 LYS A -2 -12.290 13.652 6.900 1.00 0.00 H new ATOM 0 HD3 LYS A -2 -12.957 12.266 6.060 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -14.544 12.856 7.806 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -13.764 11.371 8.315 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -13.928 13.384 9.942 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 -12.508 12.454 9.900 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -12.565 13.953 9.104 1.00 0.00 H new ATOM 74 N ALA A -1 -9.036 13.400 3.708 1.00 0.00 N ATOM 75 CA ALA A -1 -7.851 13.758 2.879 1.00 0.00 C ATOM 76 C ALA A -1 -7.299 15.115 3.319 1.00 0.00 C ATOM 77 O ALA A -1 -7.902 15.819 4.104 1.00 0.00 O ATOM 78 CB ALA A -1 -8.264 13.831 1.409 1.00 0.00 C ATOM 0 H ALA A -1 -9.707 14.154 3.856 1.00 0.00 H new ATOM 0 HA ALA A -1 -7.080 12.998 3.008 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -7.398 14.093 0.800 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -8.651 12.863 1.091 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -9.037 14.589 1.286 1.00 0.00 H new ATOM 84 N GLY A 1 -6.154 15.485 2.816 1.00 0.00 N ATOM 85 CA GLY A 1 -5.554 16.794 3.197 1.00 0.00 C ATOM 86 C GLY A 1 -4.802 17.375 1.998 1.00 0.00 C ATOM 87 O GLY A 1 -5.152 18.415 1.477 1.00 0.00 O ATOM 0 H GLY A 1 -5.606 14.935 2.155 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.334 17.484 3.521 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.874 16.664 4.039 1.00 0.00 H new ATOM 91 N SER A 2 -3.774 16.705 1.552 1.00 0.00 N ATOM 92 CA SER A 2 -3.002 17.205 0.387 1.00 0.00 C ATOM 93 C SER A 2 -2.376 16.016 -0.342 1.00 0.00 C ATOM 94 O SER A 2 -1.490 15.359 0.170 1.00 0.00 O ATOM 95 CB SER A 2 -1.900 18.149 0.871 1.00 0.00 C ATOM 96 OG SER A 2 -1.775 18.038 2.282 1.00 0.00 O ATOM 0 H SER A 2 -3.437 15.828 1.949 1.00 0.00 H new ATOM 0 HA SER A 2 -3.664 17.745 -0.290 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.954 17.900 0.390 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.138 19.176 0.595 1.00 0.00 H new ATOM 0 HG SER A 2 -1.069 18.640 2.596 1.00 0.00 H new ATOM 102 N ALA A 3 -2.829 15.732 -1.529 1.00 0.00 N ATOM 103 CA ALA A 3 -2.260 14.583 -2.287 1.00 0.00 C ATOM 104 C ALA A 3 -0.777 14.839 -2.553 1.00 0.00 C ATOM 105 O ALA A 3 -0.003 13.925 -2.753 1.00 0.00 O ATOM 106 CB ALA A 3 -3.001 14.434 -3.616 1.00 0.00 C ATOM 0 H ALA A 3 -3.569 16.245 -2.008 1.00 0.00 H new ATOM 0 HA ALA A 3 -2.373 13.668 -1.706 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -2.586 13.593 -4.172 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.059 14.255 -3.425 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -2.887 15.347 -4.200 1.00 0.00 H new ATOM 112 N LYS A 4 -0.379 16.080 -2.559 1.00 0.00 N ATOM 113 CA LYS A 4 1.052 16.405 -2.813 1.00 0.00 C ATOM 114 C LYS A 4 1.927 15.688 -1.784 1.00 0.00 C ATOM 115 O LYS A 4 2.938 15.100 -2.112 1.00 0.00 O ATOM 116 CB LYS A 4 1.241 17.915 -2.666 1.00 0.00 C ATOM 117 CG LYS A 4 0.304 18.644 -3.632 1.00 0.00 C ATOM 118 CD LYS A 4 0.035 20.058 -3.113 1.00 0.00 C ATOM 119 CE LYS A 4 -1.119 20.023 -2.104 1.00 0.00 C ATOM 120 NZ LYS A 4 -1.473 21.414 -1.706 1.00 0.00 N ATOM 0 H LYS A 4 -0.984 16.885 -2.399 1.00 0.00 H new ATOM 0 HA LYS A 4 1.335 16.084 -3.816 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.032 18.220 -1.641 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.276 18.184 -2.874 1.00 0.00 H new ATOM 0 HG2 LYS A 4 0.751 18.689 -4.625 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.633 18.096 -3.729 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.932 20.460 -2.642 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -0.213 20.720 -3.943 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -1.985 19.527 -2.543 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -0.831 19.444 -1.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -2.256 21.391 -1.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.646 21.872 -1.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -1.764 21.952 -2.547 1.00 0.00 H new ATOM 134 N LYS A 5 1.543 15.734 -0.537 1.00 0.00 N ATOM 135 CA LYS A 5 2.341 15.060 0.521 1.00 0.00 C ATOM 136 C LYS A 5 2.339 13.546 0.299 1.00 0.00 C ATOM 137 O LYS A 5 3.311 12.868 0.571 1.00 0.00 O ATOM 138 CB LYS A 5 1.734 15.376 1.885 1.00 0.00 C ATOM 139 CG LYS A 5 1.863 16.874 2.167 1.00 0.00 C ATOM 140 CD LYS A 5 1.362 17.174 3.581 1.00 0.00 C ATOM 141 CE LYS A 5 1.383 18.684 3.822 1.00 0.00 C ATOM 142 NZ LYS A 5 0.515 19.013 4.988 1.00 0.00 N ATOM 0 H LYS A 5 0.705 16.213 -0.206 1.00 0.00 H new ATOM 0 HA LYS A 5 3.369 15.421 0.480 1.00 0.00 H new ATOM 0 HB2 LYS A 5 0.685 15.080 1.905 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.241 14.804 2.662 1.00 0.00 H new ATOM 0 HG2 LYS A 5 2.903 17.186 2.065 1.00 0.00 H new ATOM 0 HG3 LYS A 5 1.286 17.443 1.438 1.00 0.00 H new ATOM 0 HD2 LYS A 5 0.350 16.789 3.709 1.00 0.00 H new ATOM 0 HD3 LYS A 5 1.990 16.669 4.315 1.00 0.00 H new ATOM 0 HE2 LYS A 5 2.403 19.019 4.009 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.032 19.210 2.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 0.488 20.044 5.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -0.448 18.661 4.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 0.898 18.563 5.844 1.00 0.00 H new ATOM 156 N GLY A 6 1.253 13.010 -0.183 1.00 0.00 N ATOM 157 CA GLY A 6 1.187 11.538 -0.408 1.00 0.00 C ATOM 158 C GLY A 6 2.349 11.095 -1.293 1.00 0.00 C ATOM 159 O GLY A 6 2.994 10.099 -1.034 1.00 0.00 O ATOM 0 H GLY A 6 0.409 13.526 -0.431 1.00 0.00 H new ATOM 0 HA2 GLY A 6 1.225 11.013 0.547 1.00 0.00 H new ATOM 0 HA3 GLY A 6 0.239 11.275 -0.878 1.00 0.00 H new ATOM 163 N ALA A 7 2.624 11.826 -2.335 1.00 0.00 N ATOM 164 CA ALA A 7 3.750 11.441 -3.229 1.00 0.00 C ATOM 165 C ALA A 7 5.064 11.560 -2.459 1.00 0.00 C ATOM 166 O ALA A 7 5.961 10.754 -2.606 1.00 0.00 O ATOM 167 CB ALA A 7 3.782 12.374 -4.442 1.00 0.00 C ATOM 0 H ALA A 7 2.120 12.670 -2.606 1.00 0.00 H new ATOM 0 HA ALA A 7 3.615 10.414 -3.568 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.607 12.092 -5.096 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.842 12.294 -4.988 1.00 0.00 H new ATOM 0 HB3 ALA A 7 3.920 13.402 -4.107 1.00 0.00 H new ATOM 173 N THR A 8 5.182 12.566 -1.637 1.00 0.00 N ATOM 174 CA THR A 8 6.426 12.754 -0.853 1.00 0.00 C ATOM 175 C THR A 8 6.628 11.579 0.107 1.00 0.00 C ATOM 176 O THR A 8 7.725 11.091 0.287 1.00 0.00 O ATOM 177 CB THR A 8 6.313 14.048 -0.055 1.00 0.00 C ATOM 178 OG1 THR A 8 5.991 15.119 -0.931 1.00 0.00 O ATOM 179 CG2 THR A 8 7.639 14.334 0.638 1.00 0.00 C ATOM 0 H THR A 8 4.461 13.270 -1.476 1.00 0.00 H new ATOM 0 HA THR A 8 7.278 12.804 -1.531 1.00 0.00 H new ATOM 0 HB THR A 8 5.528 13.946 0.694 1.00 0.00 H new ATOM 0 HG1 THR A 8 5.917 15.950 -0.418 1.00 0.00 H new ATOM 0 HG21 THR A 8 7.559 15.259 1.209 1.00 0.00 H new ATOM 0 HG22 THR A 8 7.882 13.512 1.311 1.00 0.00 H new ATOM 0 HG23 THR A 8 8.426 14.436 -0.110 1.00 0.00 H new ATOM 187 N LEU A 9 5.579 11.135 0.741 1.00 0.00 N ATOM 188 CA LEU A 9 5.708 10.009 1.708 1.00 0.00 C ATOM 189 C LEU A 9 6.028 8.702 0.974 1.00 0.00 C ATOM 190 O LEU A 9 6.929 7.973 1.345 1.00 0.00 O ATOM 191 CB LEU A 9 4.383 9.853 2.455 1.00 0.00 C ATOM 192 CG LEU A 9 4.556 8.872 3.610 1.00 0.00 C ATOM 193 CD1 LEU A 9 5.072 9.623 4.838 1.00 0.00 C ATOM 194 CD2 LEU A 9 3.209 8.225 3.934 1.00 0.00 C ATOM 0 H LEU A 9 4.635 11.505 0.631 1.00 0.00 H new ATOM 0 HA LEU A 9 6.518 10.226 2.404 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.052 10.820 2.833 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.611 9.495 1.774 1.00 0.00 H new ATOM 0 HG LEU A 9 5.271 8.098 3.330 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.197 8.925 5.666 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.031 10.085 4.605 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.356 10.395 5.120 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.331 7.524 4.759 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.493 8.997 4.217 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.841 7.693 3.057 1.00 0.00 H new ATOM 206 N PHE A 10 5.289 8.392 -0.052 1.00 0.00 N ATOM 207 CA PHE A 10 5.538 7.123 -0.797 1.00 0.00 C ATOM 208 C PHE A 10 6.908 7.151 -1.471 1.00 0.00 C ATOM 209 O PHE A 10 7.650 6.190 -1.425 1.00 0.00 O ATOM 210 CB PHE A 10 4.466 6.939 -1.874 1.00 0.00 C ATOM 211 CG PHE A 10 4.687 5.625 -2.598 1.00 0.00 C ATOM 212 CD1 PHE A 10 5.695 5.520 -3.569 1.00 0.00 C ATOM 213 CD2 PHE A 10 3.886 4.513 -2.301 1.00 0.00 C ATOM 214 CE1 PHE A 10 5.900 4.307 -4.238 1.00 0.00 C ATOM 215 CE2 PHE A 10 4.092 3.299 -2.974 1.00 0.00 C ATOM 216 CZ PHE A 10 5.100 3.198 -3.943 1.00 0.00 C ATOM 0 H PHE A 10 4.522 8.961 -0.409 1.00 0.00 H new ATOM 0 HA PHE A 10 5.505 6.298 -0.085 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.475 6.953 -1.420 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.503 7.766 -2.583 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.313 6.375 -3.800 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.110 4.591 -1.554 1.00 0.00 H new ATOM 0 HE1 PHE A 10 6.677 4.227 -4.983 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.474 2.443 -2.746 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.259 2.264 -4.462 1.00 0.00 H new ATOM 226 N LYS A 11 7.233 8.226 -2.131 1.00 0.00 N ATOM 227 CA LYS A 11 8.533 8.287 -2.845 1.00 0.00 C ATOM 228 C LYS A 11 9.705 8.216 -1.861 1.00 0.00 C ATOM 229 O LYS A 11 10.782 7.775 -2.210 1.00 0.00 O ATOM 230 CB LYS A 11 8.615 9.585 -3.655 1.00 0.00 C ATOM 231 CG LYS A 11 8.887 10.771 -2.726 1.00 0.00 C ATOM 232 CD LYS A 11 8.797 12.072 -3.527 1.00 0.00 C ATOM 233 CE LYS A 11 9.454 13.206 -2.738 1.00 0.00 C ATOM 234 NZ LYS A 11 10.752 13.567 -3.375 1.00 0.00 N ATOM 0 H LYS A 11 6.655 9.063 -2.206 1.00 0.00 H new ATOM 0 HA LYS A 11 8.598 7.430 -3.516 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.407 9.508 -4.400 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.682 9.744 -4.196 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.164 10.782 -1.910 1.00 0.00 H new ATOM 0 HG3 LYS A 11 9.875 10.676 -2.275 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.291 11.952 -4.491 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.754 12.314 -3.731 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.796 14.074 -2.712 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.617 12.898 -1.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.199 14.338 -2.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.380 12.738 -3.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.584 13.878 -4.353 1.00 0.00 H new ATOM 248 N THR A 12 9.522 8.667 -0.649 1.00 0.00 N ATOM 249 CA THR A 12 10.654 8.640 0.326 1.00 0.00 C ATOM 250 C THR A 12 10.512 7.472 1.310 1.00 0.00 C ATOM 251 O THR A 12 11.282 7.357 2.243 1.00 0.00 O ATOM 252 CB THR A 12 10.690 9.963 1.098 1.00 0.00 C ATOM 253 OG1 THR A 12 11.910 10.051 1.822 1.00 0.00 O ATOM 254 CG2 THR A 12 9.514 10.030 2.071 1.00 0.00 C ATOM 0 H THR A 12 8.646 9.050 -0.293 1.00 0.00 H new ATOM 0 HA THR A 12 11.583 8.505 -0.228 1.00 0.00 H new ATOM 0 HB THR A 12 10.619 10.793 0.395 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.088 9.197 2.268 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.546 10.973 2.616 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.578 9.963 1.516 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.577 9.201 2.776 1.00 0.00 H new ATOM 262 N ARG A 13 9.551 6.602 1.123 1.00 0.00 N ATOM 263 CA ARG A 13 9.409 5.455 2.072 1.00 0.00 C ATOM 264 C ARG A 13 9.098 4.155 1.325 1.00 0.00 C ATOM 265 O ARG A 13 9.881 3.225 1.340 1.00 0.00 O ATOM 266 CB ARG A 13 8.289 5.740 3.072 1.00 0.00 C ATOM 267 CG ARG A 13 8.707 6.893 3.987 1.00 0.00 C ATOM 268 CD ARG A 13 7.705 7.032 5.134 1.00 0.00 C ATOM 269 NE ARG A 13 7.970 8.298 5.872 1.00 0.00 N ATOM 270 CZ ARG A 13 8.938 8.355 6.745 1.00 0.00 C ATOM 271 NH1 ARG A 13 9.674 7.301 6.972 1.00 0.00 N ATOM 272 NH2 ARG A 13 9.171 9.464 7.391 1.00 0.00 N ATOM 0 H ARG A 13 8.868 6.634 0.366 1.00 0.00 H new ATOM 0 HA ARG A 13 10.356 5.337 2.599 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.371 5.995 2.543 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.079 4.849 3.664 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.706 6.711 4.384 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.755 7.822 3.419 1.00 0.00 H new ATOM 0 HD2 ARG A 13 6.687 7.032 4.744 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.788 6.180 5.809 1.00 0.00 H new ATOM 0 HE ARG A 13 7.394 9.121 5.695 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.492 6.434 6.467 1.00 0.00 H new ATOM 0 HH12 ARG A 13 10.431 7.345 7.654 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.596 10.288 7.214 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.928 9.507 8.073 1.00 0.00 H new ATOM 286 N CYS A 14 7.965 4.066 0.684 1.00 0.00 N ATOM 287 CA CYS A 14 7.629 2.804 -0.037 1.00 0.00 C ATOM 288 C CYS A 14 8.578 2.621 -1.227 1.00 0.00 C ATOM 289 O CYS A 14 8.825 1.516 -1.668 1.00 0.00 O ATOM 290 CB CYS A 14 6.181 2.846 -0.536 1.00 0.00 C ATOM 291 SG CYS A 14 5.125 3.811 0.591 1.00 0.00 S ATOM 0 H CYS A 14 7.263 4.804 0.628 1.00 0.00 H new ATOM 0 HA CYS A 14 7.741 1.966 0.651 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.150 3.285 -1.533 1.00 0.00 H new ATOM 0 HB3 CYS A 14 5.793 1.831 -0.622 1.00 0.00 H new ATOM 296 N LEU A 15 9.110 3.690 -1.751 1.00 0.00 N ATOM 297 CA LEU A 15 10.040 3.569 -2.912 1.00 0.00 C ATOM 298 C LEU A 15 11.198 2.633 -2.559 1.00 0.00 C ATOM 299 O LEU A 15 11.688 1.897 -3.393 1.00 0.00 O ATOM 300 CB LEU A 15 10.594 4.949 -3.267 1.00 0.00 C ATOM 301 CG LEU A 15 11.500 4.849 -4.499 1.00 0.00 C ATOM 302 CD1 LEU A 15 10.662 4.509 -5.734 1.00 0.00 C ATOM 303 CD2 LEU A 15 12.204 6.190 -4.719 1.00 0.00 C ATOM 0 H LEU A 15 8.942 4.642 -1.427 1.00 0.00 H new ATOM 0 HA LEU A 15 9.496 3.161 -3.764 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.774 5.640 -3.464 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.155 5.352 -2.424 1.00 0.00 H new ATOM 0 HG LEU A 15 12.240 4.065 -4.339 1.00 0.00 H new ATOM 0 HD11 LEU A 15 11.312 4.439 -6.607 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.158 3.555 -5.580 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.919 5.290 -5.896 1.00 0.00 H new ATOM 0 HD21 LEU A 15 12.850 6.123 -5.595 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.459 6.970 -4.876 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.805 6.433 -3.843 1.00 0.00 H new ATOM 315 N GLN A 16 11.651 2.666 -1.338 1.00 0.00 N ATOM 316 CA GLN A 16 12.790 1.792 -0.943 1.00 0.00 C ATOM 317 C GLN A 16 12.452 0.321 -1.210 1.00 0.00 C ATOM 318 O GLN A 16 13.304 -0.450 -1.604 1.00 0.00 O ATOM 319 CB GLN A 16 13.079 1.982 0.547 1.00 0.00 C ATOM 320 CG GLN A 16 13.550 3.415 0.798 1.00 0.00 C ATOM 321 CD GLN A 16 13.789 3.621 2.294 1.00 0.00 C ATOM 322 OE1 GLN A 16 13.347 2.833 3.106 1.00 0.00 O ATOM 323 NE2 GLN A 16 14.476 4.656 2.697 1.00 0.00 N ATOM 0 H GLN A 16 11.282 3.260 -0.596 1.00 0.00 H new ATOM 0 HA GLN A 16 13.666 2.065 -1.531 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.182 1.775 1.131 1.00 0.00 H new ATOM 0 HB3 GLN A 16 13.842 1.275 0.873 1.00 0.00 H new ATOM 0 HG2 GLN A 16 14.467 3.610 0.243 1.00 0.00 H new ATOM 0 HG3 GLN A 16 12.803 4.123 0.438 1.00 0.00 H new ATOM 0 HE21 GLN A 16 14.848 5.318 2.016 1.00 0.00 H new ATOM 0 HE22 GLN A 16 14.641 4.802 3.693 1.00 0.00 H new ATOM 332 N CYS A 17 11.225 -0.078 -0.990 1.00 0.00 N ATOM 333 CA CYS A 17 10.855 -1.508 -1.222 1.00 0.00 C ATOM 334 C CYS A 17 9.884 -1.634 -2.401 1.00 0.00 C ATOM 335 O CYS A 17 10.027 -2.502 -3.240 1.00 0.00 O ATOM 336 CB CYS A 17 10.198 -2.071 0.039 1.00 0.00 C ATOM 337 SG CYS A 17 11.394 -2.052 1.406 1.00 0.00 S ATOM 0 H CYS A 17 10.467 0.520 -0.662 1.00 0.00 H new ATOM 0 HA CYS A 17 11.760 -2.069 -1.455 1.00 0.00 H new ATOM 0 HB2 CYS A 17 9.321 -1.478 0.301 1.00 0.00 H new ATOM 0 HB3 CYS A 17 9.852 -3.089 -0.142 1.00 0.00 H new ATOM 342 N HIS A 18 8.891 -0.792 -2.469 1.00 0.00 N ATOM 343 CA HIS A 18 7.910 -0.893 -3.593 1.00 0.00 C ATOM 344 C HIS A 18 8.227 0.124 -4.684 1.00 0.00 C ATOM 345 O HIS A 18 8.690 1.210 -4.421 1.00 0.00 O ATOM 346 CB HIS A 18 6.498 -0.576 -3.103 1.00 0.00 C ATOM 347 CG HIS A 18 6.074 -1.519 -2.022 1.00 0.00 C ATOM 348 ND1 HIS A 18 5.732 -2.843 -2.273 1.00 0.00 N ATOM 349 CD2 HIS A 18 5.869 -1.322 -0.686 1.00 0.00 C ATOM 350 CE1 HIS A 18 5.332 -3.381 -1.104 1.00 0.00 C ATOM 351 NE2 HIS A 18 5.398 -2.489 -0.117 1.00 0.00 N ATOM 0 H HIS A 18 8.714 -0.042 -1.801 1.00 0.00 H new ATOM 0 HA HIS A 18 7.975 -1.910 -3.979 1.00 0.00 H new ATOM 0 HB2 HIS A 18 6.461 0.448 -2.731 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.799 -0.637 -3.937 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.776 -3.319 -3.174 1.00 0.00 H new ATOM 0 HD2 HIS A 18 6.047 -0.398 -0.157 1.00 0.00 H new ATOM 0 HE1 HIS A 18 5.001 -4.402 -0.983 1.00 0.00 H new ATOM 359 N THR A 19 7.923 -0.211 -5.903 1.00 0.00 N ATOM 360 CA THR A 19 8.135 0.736 -7.026 1.00 0.00 C ATOM 361 C THR A 19 6.789 0.906 -7.732 1.00 0.00 C ATOM 362 O THR A 19 6.137 -0.061 -8.073 1.00 0.00 O ATOM 363 CB THR A 19 9.160 0.164 -8.000 1.00 0.00 C ATOM 364 OG1 THR A 19 10.332 -0.209 -7.290 1.00 0.00 O ATOM 365 CG2 THR A 19 9.511 1.217 -9.052 1.00 0.00 C ATOM 0 H THR A 19 7.531 -1.114 -6.172 1.00 0.00 H new ATOM 0 HA THR A 19 8.507 1.693 -6.661 1.00 0.00 H new ATOM 0 HB THR A 19 8.741 -0.713 -8.493 1.00 0.00 H new ATOM 0 HG1 THR A 19 10.990 -0.578 -7.916 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.243 0.807 -9.747 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.611 1.500 -9.598 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.929 2.096 -8.562 1.00 0.00 H new ATOM 373 N VAL A 20 6.350 2.113 -7.941 1.00 0.00 N ATOM 374 CA VAL A 20 5.033 2.310 -8.608 1.00 0.00 C ATOM 375 C VAL A 20 5.133 1.890 -10.077 1.00 0.00 C ATOM 376 O VAL A 20 4.138 1.645 -10.729 1.00 0.00 O ATOM 377 CB VAL A 20 4.626 3.781 -8.520 1.00 0.00 C ATOM 378 CG1 VAL A 20 4.600 4.217 -7.057 1.00 0.00 C ATOM 379 CG2 VAL A 20 5.636 4.636 -9.287 1.00 0.00 C ATOM 0 H VAL A 20 6.842 2.968 -7.681 1.00 0.00 H new ATOM 0 HA VAL A 20 4.281 1.699 -8.109 1.00 0.00 H new ATOM 0 HB VAL A 20 3.635 3.909 -8.955 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.310 5.266 -6.995 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.881 3.608 -6.509 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.591 4.088 -6.621 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.346 5.685 -9.225 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.627 4.507 -8.852 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.655 4.326 -10.332 1.00 0.00 H new ATOM 389 N GLU A 21 6.322 1.803 -10.604 1.00 0.00 N ATOM 390 CA GLU A 21 6.472 1.396 -12.028 1.00 0.00 C ATOM 391 C GLU A 21 5.888 -0.006 -12.214 1.00 0.00 C ATOM 392 O GLU A 21 6.042 -0.869 -11.373 1.00 0.00 O ATOM 393 CB GLU A 21 7.956 1.386 -12.404 1.00 0.00 C ATOM 394 CG GLU A 21 8.101 1.112 -13.902 1.00 0.00 C ATOM 395 CD GLU A 21 9.585 1.001 -14.260 1.00 0.00 C ATOM 396 OE1 GLU A 21 10.400 1.116 -13.360 1.00 0.00 O ATOM 397 OE2 GLU A 21 9.880 0.804 -15.427 1.00 0.00 O ATOM 0 H GLU A 21 7.194 1.996 -10.112 1.00 0.00 H new ATOM 0 HA GLU A 21 5.943 2.102 -12.668 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.412 2.344 -12.153 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.482 0.622 -11.831 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.583 0.190 -14.166 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.637 1.914 -14.476 1.00 0.00 H new ATOM 404 N LYS A 22 5.214 -0.240 -13.307 1.00 0.00 N ATOM 405 CA LYS A 22 4.619 -1.586 -13.539 1.00 0.00 C ATOM 406 C LYS A 22 5.713 -2.554 -13.998 1.00 0.00 C ATOM 407 O LYS A 22 6.505 -2.244 -14.865 1.00 0.00 O ATOM 408 CB LYS A 22 3.538 -1.486 -14.621 1.00 0.00 C ATOM 409 CG LYS A 22 2.756 -2.802 -14.702 1.00 0.00 C ATOM 410 CD LYS A 22 1.668 -2.828 -13.622 1.00 0.00 C ATOM 411 CE LYS A 22 0.791 -4.068 -13.807 1.00 0.00 C ATOM 412 NZ LYS A 22 -0.554 -3.815 -13.216 1.00 0.00 N ATOM 0 H LYS A 22 5.050 0.442 -14.048 1.00 0.00 H new ATOM 0 HA LYS A 22 4.174 -1.952 -12.614 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.860 -0.663 -14.394 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.996 -1.265 -15.585 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.304 -2.907 -15.688 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.433 -3.646 -14.570 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.124 -2.837 -12.632 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.058 -1.926 -13.684 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.696 -4.305 -14.867 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.255 -4.930 -13.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.152 -4.657 -13.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.454 -3.608 -12.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.996 -3.003 -13.693 1.00 0.00 H new ATOM 426 N GLY A 23 5.763 -3.724 -13.423 1.00 0.00 N ATOM 427 CA GLY A 23 6.807 -4.708 -13.829 1.00 0.00 C ATOM 428 C GLY A 23 8.144 -4.316 -13.202 1.00 0.00 C ATOM 429 O GLY A 23 9.196 -4.531 -13.772 1.00 0.00 O ATOM 0 H GLY A 23 5.128 -4.041 -12.691 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.522 -5.710 -13.509 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.896 -4.734 -14.915 1.00 0.00 H new ATOM 433 N GLY A 24 8.114 -3.740 -12.031 1.00 0.00 N ATOM 434 CA GLY A 24 9.383 -3.329 -11.369 1.00 0.00 C ATOM 435 C GLY A 24 10.249 -4.565 -11.105 1.00 0.00 C ATOM 436 O GLY A 24 9.754 -5.671 -11.016 1.00 0.00 O ATOM 0 H GLY A 24 7.264 -3.537 -11.504 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.922 -2.623 -12.000 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.167 -2.817 -10.431 1.00 0.00 H new ATOM 440 N PRO A 25 11.537 -4.373 -10.983 1.00 0.00 N ATOM 441 CA PRO A 25 12.500 -5.485 -10.726 1.00 0.00 C ATOM 442 C PRO A 25 12.202 -6.226 -9.419 1.00 0.00 C ATOM 443 O PRO A 25 12.690 -7.313 -9.189 1.00 0.00 O ATOM 444 CB PRO A 25 13.868 -4.794 -10.648 1.00 0.00 C ATOM 445 CG PRO A 25 13.586 -3.339 -10.458 1.00 0.00 C ATOM 446 CD PRO A 25 12.215 -3.075 -11.074 1.00 0.00 C ATOM 0 HA PRO A 25 12.445 -6.244 -11.507 1.00 0.00 H new ATOM 0 HB2 PRO A 25 14.457 -5.188 -9.820 1.00 0.00 H new ATOM 0 HB3 PRO A 25 14.443 -4.964 -11.558 1.00 0.00 H new ATOM 0 HG2 PRO A 25 13.592 -3.079 -9.400 1.00 0.00 H new ATOM 0 HG3 PRO A 25 14.351 -2.730 -10.940 1.00 0.00 H new ATOM 0 HD2 PRO A 25 11.674 -2.301 -10.529 1.00 0.00 H new ATOM 0 HD3 PRO A 25 12.298 -2.738 -12.107 1.00 0.00 H new ATOM 454 N HIS A 26 11.409 -5.641 -8.561 1.00 0.00 N ATOM 455 CA HIS A 26 11.081 -6.307 -7.266 1.00 0.00 C ATOM 456 C HIS A 26 12.368 -6.533 -6.469 1.00 0.00 C ATOM 457 O HIS A 26 12.610 -7.609 -5.958 1.00 0.00 O ATOM 458 CB HIS A 26 10.407 -7.659 -7.525 1.00 0.00 C ATOM 459 CG HIS A 26 9.308 -7.494 -8.531 1.00 0.00 C ATOM 460 ND1 HIS A 26 8.252 -6.615 -8.344 1.00 0.00 N ATOM 461 CD2 HIS A 26 9.086 -8.097 -9.735 1.00 0.00 C ATOM 462 CE1 HIS A 26 7.448 -6.714 -9.417 1.00 0.00 C ATOM 463 NE2 HIS A 26 7.913 -7.602 -10.293 1.00 0.00 N ATOM 0 H HIS A 26 10.973 -4.729 -8.701 1.00 0.00 H new ATOM 0 HA HIS A 26 10.402 -5.668 -6.702 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.141 -8.378 -7.889 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.004 -8.059 -6.595 1.00 0.00 H new ATOM 0 HD2 HIS A 26 9.723 -8.844 -10.185 1.00 0.00 H new ATOM 0 HE1 HIS A 26 6.540 -6.145 -9.551 1.00 0.00 H new ATOM 0 HE2 HIS A 26 7.496 -7.864 -11.186 1.00 0.00 H new ATOM 472 N LYS A 27 13.197 -5.532 -6.358 1.00 0.00 N ATOM 473 CA LYS A 27 14.464 -5.699 -5.597 1.00 0.00 C ATOM 474 C LYS A 27 14.125 -6.185 -4.194 1.00 0.00 C ATOM 475 O LYS A 27 14.802 -7.019 -3.627 1.00 0.00 O ATOM 476 CB LYS A 27 15.162 -4.346 -5.496 1.00 0.00 C ATOM 477 CG LYS A 27 15.345 -3.776 -6.897 1.00 0.00 C ATOM 478 CD LYS A 27 16.170 -2.490 -6.826 1.00 0.00 C ATOM 479 CE LYS A 27 16.239 -1.850 -8.213 1.00 0.00 C ATOM 480 NZ LYS A 27 17.190 -0.703 -8.185 1.00 0.00 N ATOM 0 H LYS A 27 13.051 -4.607 -6.762 1.00 0.00 H new ATOM 0 HA LYS A 27 15.114 -6.416 -6.099 1.00 0.00 H new ATOM 0 HB2 LYS A 27 14.572 -3.663 -4.886 1.00 0.00 H new ATOM 0 HB3 LYS A 27 16.129 -4.457 -5.006 1.00 0.00 H new ATOM 0 HG2 LYS A 27 15.845 -4.505 -7.535 1.00 0.00 H new ATOM 0 HG3 LYS A 27 14.373 -3.572 -7.347 1.00 0.00 H new ATOM 0 HD2 LYS A 27 15.721 -1.796 -6.116 1.00 0.00 H new ATOM 0 HD3 LYS A 27 17.175 -2.710 -6.465 1.00 0.00 H new ATOM 0 HE2 LYS A 27 16.562 -2.586 -8.949 1.00 0.00 H new ATOM 0 HE3 LYS A 27 15.250 -1.508 -8.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 17.237 -0.268 -9.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.863 0.002 -7.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 18.135 -1.042 -7.913 1.00 0.00 H new ATOM 494 N VAL A 28 13.072 -5.661 -3.639 1.00 0.00 N ATOM 495 CA VAL A 28 12.657 -6.076 -2.269 1.00 0.00 C ATOM 496 C VAL A 28 11.173 -6.440 -2.275 1.00 0.00 C ATOM 497 O VAL A 28 10.802 -7.581 -2.085 1.00 0.00 O ATOM 498 CB VAL A 28 12.894 -4.925 -1.294 1.00 0.00 C ATOM 499 CG1 VAL A 28 13.256 -5.487 0.082 1.00 0.00 C ATOM 500 CG2 VAL A 28 14.042 -4.050 -1.805 1.00 0.00 C ATOM 0 H VAL A 28 12.476 -4.958 -4.076 1.00 0.00 H new ATOM 0 HA VAL A 28 13.243 -6.941 -1.959 1.00 0.00 H new ATOM 0 HB VAL A 28 11.987 -4.325 -1.215 1.00 0.00 H new ATOM 0 HG11 VAL A 28 13.425 -4.665 0.778 1.00 0.00 H new ATOM 0 HG12 VAL A 28 12.439 -6.109 0.447 1.00 0.00 H new ATOM 0 HG13 VAL A 28 14.162 -6.088 0.003 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.211 -3.228 -1.109 1.00 0.00 H new ATOM 0 HG22 VAL A 28 14.949 -4.650 -1.885 1.00 0.00 H new ATOM 0 HG23 VAL A 28 13.785 -3.648 -2.785 1.00 0.00 H new ATOM 510 N GLY A 29 10.318 -5.477 -2.490 1.00 0.00 N ATOM 511 CA GLY A 29 8.856 -5.769 -2.506 1.00 0.00 C ATOM 512 C GLY A 29 8.393 -6.002 -3.946 1.00 0.00 C ATOM 513 O GLY A 29 9.028 -5.572 -4.887 1.00 0.00 O ATOM 0 H GLY A 29 10.568 -4.502 -2.655 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.644 -6.649 -1.899 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.304 -4.938 -2.066 1.00 0.00 H new ATOM 517 N PRO A 30 7.289 -6.679 -4.111 1.00 0.00 N ATOM 518 CA PRO A 30 6.716 -6.983 -5.455 1.00 0.00 C ATOM 519 C PRO A 30 6.389 -5.721 -6.246 1.00 0.00 C ATOM 520 O PRO A 30 5.942 -5.781 -7.373 1.00 0.00 O ATOM 521 CB PRO A 30 5.443 -7.783 -5.160 1.00 0.00 C ATOM 522 CG PRO A 30 5.146 -7.577 -3.710 1.00 0.00 C ATOM 523 CD PRO A 30 6.467 -7.230 -3.028 1.00 0.00 C ATOM 0 HA PRO A 30 7.427 -7.531 -6.073 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.615 -7.439 -5.779 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.588 -8.840 -5.381 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.420 -6.775 -3.575 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.712 -8.477 -3.274 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.324 -6.505 -2.226 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.930 -8.111 -2.583 1.00 0.00 H new ATOM 531 N ASN A 31 6.615 -4.581 -5.665 1.00 0.00 N ATOM 532 CA ASN A 31 6.333 -3.307 -6.378 1.00 0.00 C ATOM 533 C ASN A 31 4.852 -3.228 -6.752 1.00 0.00 C ATOM 534 O ASN A 31 4.433 -3.712 -7.785 1.00 0.00 O ATOM 535 CB ASN A 31 7.190 -3.218 -7.643 1.00 0.00 C ATOM 536 CG ASN A 31 8.652 -3.490 -7.283 1.00 0.00 C ATOM 537 OD1 ASN A 31 9.401 -4.010 -8.087 1.00 0.00 O ATOM 538 ND2 ASN A 31 9.091 -3.162 -6.099 1.00 0.00 N ATOM 0 H ASN A 31 6.985 -4.475 -4.721 1.00 0.00 H new ATOM 0 HA ASN A 31 6.577 -2.474 -5.718 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.845 -3.941 -8.382 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.092 -2.230 -8.094 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.063 -3.342 -5.848 1.00 0.00 H new ATOM 0 HD22 ASN A 31 8.462 -2.726 -5.425 1.00 0.00 H new ATOM 545 N LEU A 32 4.055 -2.624 -5.913 1.00 0.00 N ATOM 546 CA LEU A 32 2.603 -2.514 -6.206 1.00 0.00 C ATOM 547 C LEU A 32 2.319 -1.237 -6.997 1.00 0.00 C ATOM 548 O LEU A 32 3.011 -0.245 -6.873 1.00 0.00 O ATOM 549 CB LEU A 32 1.828 -2.449 -4.897 1.00 0.00 C ATOM 550 CG LEU A 32 2.259 -3.590 -3.973 1.00 0.00 C ATOM 551 CD1 LEU A 32 1.250 -3.727 -2.831 1.00 0.00 C ATOM 552 CD2 LEU A 32 2.320 -4.900 -4.759 1.00 0.00 C ATOM 0 H LEU A 32 4.352 -2.201 -5.034 1.00 0.00 H new ATOM 0 HA LEU A 32 2.297 -3.383 -6.789 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.003 -1.490 -4.409 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.758 -2.516 -5.095 1.00 0.00 H new ATOM 0 HG LEU A 32 3.246 -3.370 -3.566 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.555 -4.539 -2.171 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.211 -2.796 -2.266 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.264 -3.944 -3.241 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.627 -5.708 -4.096 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.336 -5.123 -5.171 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.040 -4.804 -5.571 1.00 0.00 H new ATOM 564 N HIS A 33 1.293 -1.255 -7.801 1.00 0.00 N ATOM 565 CA HIS A 33 0.939 -0.051 -8.597 1.00 0.00 C ATOM 566 C HIS A 33 -0.439 -0.242 -9.231 1.00 0.00 C ATOM 567 O HIS A 33 -0.579 -0.886 -10.252 1.00 0.00 O ATOM 568 CB HIS A 33 1.976 0.146 -9.697 1.00 0.00 C ATOM 569 CG HIS A 33 1.614 1.352 -10.520 1.00 0.00 C ATOM 570 ND1 HIS A 33 1.623 2.636 -9.995 1.00 0.00 N ATOM 571 CD2 HIS A 33 1.229 1.485 -11.832 1.00 0.00 C ATOM 572 CE1 HIS A 33 1.254 3.479 -10.977 1.00 0.00 C ATOM 573 NE2 HIS A 33 1.005 2.827 -12.114 1.00 0.00 N ATOM 0 H HIS A 33 0.681 -2.059 -7.941 1.00 0.00 H new ATOM 0 HA HIS A 33 0.920 0.823 -7.946 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.966 0.276 -9.259 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.021 -0.739 -10.331 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.118 0.673 -12.535 1.00 0.00 H new ATOM 0 HE1 HIS A 33 1.170 4.549 -10.859 1.00 0.00 H new ATOM 0 HE2 HIS A 33 0.712 3.229 -13.004 1.00 0.00 H new ATOM 582 N GLY A 34 -1.457 0.319 -8.641 1.00 0.00 N ATOM 583 CA GLY A 34 -2.822 0.175 -9.219 1.00 0.00 C ATOM 584 C GLY A 34 -3.516 -1.050 -8.621 1.00 0.00 C ATOM 585 O GLY A 34 -4.610 -1.404 -9.016 1.00 0.00 O ATOM 0 H GLY A 34 -1.403 0.870 -7.785 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.408 1.071 -9.016 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.758 0.075 -10.303 1.00 0.00 H new ATOM 589 N ILE A 35 -2.902 -1.700 -7.670 1.00 0.00 N ATOM 590 CA ILE A 35 -3.551 -2.895 -7.062 1.00 0.00 C ATOM 591 C ILE A 35 -4.798 -2.449 -6.304 1.00 0.00 C ATOM 592 O ILE A 35 -5.601 -3.253 -5.880 1.00 0.00 O ATOM 593 CB ILE A 35 -2.585 -3.594 -6.100 1.00 0.00 C ATOM 594 CG1 ILE A 35 -2.440 -2.777 -4.810 1.00 0.00 C ATOM 595 CG2 ILE A 35 -1.219 -3.730 -6.768 1.00 0.00 C ATOM 596 CD1 ILE A 35 -3.295 -3.401 -3.705 1.00 0.00 C ATOM 0 H ILE A 35 -1.987 -1.458 -7.291 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.825 -3.597 -7.850 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.978 -4.580 -5.854 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.395 -2.748 -4.502 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.749 -1.746 -4.984 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.529 -4.227 -6.087 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.317 -4.320 -7.679 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.835 -2.740 -7.016 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.189 -2.818 -2.790 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.341 -3.406 -4.013 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.965 -4.424 -3.523 1.00 0.00 H new ATOM 608 N PHE A 36 -4.966 -1.167 -6.136 1.00 0.00 N ATOM 609 CA PHE A 36 -6.161 -0.663 -5.409 1.00 0.00 C ATOM 610 C PHE A 36 -7.407 -1.374 -5.932 1.00 0.00 C ATOM 611 O PHE A 36 -8.341 -1.624 -5.199 1.00 0.00 O ATOM 612 CB PHE A 36 -6.292 0.843 -5.637 1.00 0.00 C ATOM 613 CG PHE A 36 -5.457 1.587 -4.622 1.00 0.00 C ATOM 614 CD1 PHE A 36 -4.057 1.487 -4.640 1.00 0.00 C ATOM 615 CD2 PHE A 36 -6.087 2.381 -3.657 1.00 0.00 C ATOM 616 CE1 PHE A 36 -3.296 2.183 -3.692 1.00 0.00 C ATOM 617 CE2 PHE A 36 -5.327 3.077 -2.715 1.00 0.00 C ATOM 618 CZ PHE A 36 -3.932 2.979 -2.730 1.00 0.00 C ATOM 0 H PHE A 36 -4.326 -0.447 -6.472 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.054 -0.859 -4.342 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.967 1.097 -6.646 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.336 1.144 -5.553 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.568 0.875 -5.383 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.164 2.456 -3.641 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.219 2.106 -3.703 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.817 3.692 -1.974 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.345 3.517 -2.000 1.00 0.00 H new ATOM 628 N GLY A 37 -7.425 -1.709 -7.194 1.00 0.00 N ATOM 629 CA GLY A 37 -8.607 -2.414 -7.768 1.00 0.00 C ATOM 630 C GLY A 37 -8.204 -3.842 -8.142 1.00 0.00 C ATOM 631 O GLY A 37 -8.637 -4.376 -9.143 1.00 0.00 O ATOM 0 H GLY A 37 -6.670 -1.524 -7.854 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -9.423 -2.430 -7.045 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.971 -1.883 -8.648 1.00 0.00 H new ATOM 635 N ARG A 38 -7.368 -4.457 -7.350 1.00 0.00 N ATOM 636 CA ARG A 38 -6.925 -5.843 -7.663 1.00 0.00 C ATOM 637 C ARG A 38 -6.964 -6.685 -6.384 1.00 0.00 C ATOM 638 O ARG A 38 -7.027 -6.163 -5.291 1.00 0.00 O ATOM 639 CB ARG A 38 -5.494 -5.799 -8.211 1.00 0.00 C ATOM 640 CG ARG A 38 -5.126 -7.143 -8.851 1.00 0.00 C ATOM 641 CD ARG A 38 -5.999 -7.408 -10.085 1.00 0.00 C ATOM 642 NE ARG A 38 -6.362 -6.119 -10.741 1.00 0.00 N ATOM 643 CZ ARG A 38 -7.445 -6.037 -11.468 1.00 0.00 C ATOM 644 NH1 ARG A 38 -8.209 -7.083 -11.622 1.00 0.00 N ATOM 645 NH2 ARG A 38 -7.761 -4.908 -12.039 1.00 0.00 N ATOM 0 H ARG A 38 -6.973 -4.058 -6.499 1.00 0.00 H new ATOM 0 HA ARG A 38 -7.586 -6.287 -8.408 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.404 -5.001 -8.948 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -4.796 -5.569 -7.406 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.074 -7.141 -9.136 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -5.258 -7.946 -8.126 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.464 -8.045 -10.789 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -6.902 -7.944 -9.793 1.00 0.00 H new ATOM 0 HE ARG A 38 -5.765 -5.301 -10.622 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -7.961 -7.966 -11.175 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -9.054 -7.018 -12.190 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -7.163 -4.090 -11.918 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.606 -4.843 -12.607 1.00 0.00 H new ATOM 659 N HIS A 39 -6.930 -7.984 -6.511 1.00 0.00 N ATOM 660 CA HIS A 39 -6.963 -8.851 -5.300 1.00 0.00 C ATOM 661 C HIS A 39 -5.553 -8.998 -4.736 1.00 0.00 C ATOM 662 O HIS A 39 -4.573 -8.870 -5.443 1.00 0.00 O ATOM 663 CB HIS A 39 -7.503 -10.230 -5.668 1.00 0.00 C ATOM 664 CG HIS A 39 -9.002 -10.229 -5.547 1.00 0.00 C ATOM 665 ND1 HIS A 39 -9.820 -9.605 -6.477 1.00 0.00 N ATOM 666 CD2 HIS A 39 -9.849 -10.769 -4.609 1.00 0.00 C ATOM 667 CE1 HIS A 39 -11.095 -9.784 -6.085 1.00 0.00 C ATOM 668 NE2 HIS A 39 -11.165 -10.486 -4.954 1.00 0.00 N ATOM 0 H HIS A 39 -6.881 -8.481 -7.400 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.611 -8.394 -4.552 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.210 -10.488 -6.686 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.075 -10.987 -5.011 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -9.539 -11.327 -3.738 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.954 -9.406 -6.620 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -12.008 -10.758 -4.448 1.00 0.00 H new ATOM 677 N SER A 40 -5.442 -9.262 -3.464 1.00 0.00 N ATOM 678 CA SER A 40 -4.096 -9.412 -2.856 1.00 0.00 C ATOM 679 C SER A 40 -3.418 -10.656 -3.417 1.00 0.00 C ATOM 680 O SER A 40 -4.024 -11.699 -3.563 1.00 0.00 O ATOM 681 CB SER A 40 -4.226 -9.565 -1.342 1.00 0.00 C ATOM 682 OG SER A 40 -3.152 -8.884 -0.706 1.00 0.00 O ATOM 0 H SER A 40 -6.226 -9.380 -2.822 1.00 0.00 H new ATOM 0 HA SER A 40 -3.503 -8.527 -3.088 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.180 -9.159 -1.005 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.215 -10.620 -1.069 1.00 0.00 H new ATOM 0 HG SER A 40 -2.682 -8.329 -1.363 1.00 0.00 H new ATOM 688 N GLY A 41 -2.159 -10.556 -3.715 1.00 0.00 N ATOM 689 CA GLY A 41 -1.424 -11.734 -4.249 1.00 0.00 C ATOM 690 C GLY A 41 -1.294 -11.641 -5.764 1.00 0.00 C ATOM 691 O GLY A 41 -0.739 -12.519 -6.394 1.00 0.00 O ATOM 0 H GLY A 41 -1.603 -9.707 -3.612 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.434 -11.788 -3.796 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.949 -12.650 -3.979 1.00 0.00 H new ATOM 695 N GLN A 42 -1.791 -10.590 -6.359 1.00 0.00 N ATOM 696 CA GLN A 42 -1.676 -10.466 -7.838 1.00 0.00 C ATOM 697 C GLN A 42 -0.662 -9.380 -8.184 1.00 0.00 C ATOM 698 O GLN A 42 -0.824 -8.226 -7.841 1.00 0.00 O ATOM 699 CB GLN A 42 -3.042 -10.118 -8.421 1.00 0.00 C ATOM 700 CG GLN A 42 -4.004 -11.266 -8.123 1.00 0.00 C ATOM 701 CD GLN A 42 -5.378 -10.962 -8.724 1.00 0.00 C ATOM 702 OE1 GLN A 42 -5.595 -9.896 -9.263 1.00 0.00 O ATOM 703 NE2 GLN A 42 -6.320 -11.861 -8.652 1.00 0.00 N ATOM 0 H GLN A 42 -2.267 -9.820 -5.889 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.336 -11.411 -8.262 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.414 -9.190 -7.986 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -2.965 -9.958 -9.496 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -3.614 -12.196 -8.537 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.092 -11.408 -7.046 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.137 -12.756 -8.199 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.240 -11.669 -9.049 1.00 0.00 H new ATOM 712 N ALA A 43 0.387 -9.749 -8.864 1.00 0.00 N ATOM 713 CA ALA A 43 1.425 -8.753 -9.242 1.00 0.00 C ATOM 714 C ALA A 43 2.186 -9.253 -10.470 1.00 0.00 C ATOM 715 O ALA A 43 1.817 -10.237 -11.080 1.00 0.00 O ATOM 716 CB ALA A 43 2.401 -8.567 -8.079 1.00 0.00 C ATOM 0 H ALA A 43 0.570 -10.703 -9.175 1.00 0.00 H new ATOM 0 HA ALA A 43 0.948 -7.800 -9.472 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.162 -7.837 -8.356 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.859 -8.212 -7.203 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.879 -9.519 -7.849 1.00 0.00 H new ATOM 722 N GLU A 44 3.247 -8.585 -10.829 1.00 0.00 N ATOM 723 CA GLU A 44 4.044 -9.014 -12.012 1.00 0.00 C ATOM 724 C GLU A 44 5.480 -9.285 -11.570 1.00 0.00 C ATOM 725 O GLU A 44 5.916 -8.825 -10.534 1.00 0.00 O ATOM 726 CB GLU A 44 4.035 -7.906 -13.068 1.00 0.00 C ATOM 727 CG GLU A 44 2.598 -7.645 -13.522 1.00 0.00 C ATOM 728 CD GLU A 44 2.599 -6.605 -14.645 1.00 0.00 C ATOM 729 OE1 GLU A 44 3.648 -6.036 -14.896 1.00 0.00 O ATOM 730 OE2 GLU A 44 1.551 -6.397 -15.234 1.00 0.00 O ATOM 0 H GLU A 44 3.598 -7.755 -10.351 1.00 0.00 H new ATOM 0 HA GLU A 44 3.611 -9.919 -12.439 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.469 -6.994 -12.657 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.650 -8.196 -13.920 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.141 -8.571 -13.870 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.999 -7.290 -12.683 1.00 0.00 H new ATOM 737 N GLY A 45 6.219 -10.031 -12.341 1.00 0.00 N ATOM 738 CA GLY A 45 7.625 -10.326 -11.953 1.00 0.00 C ATOM 739 C GLY A 45 7.631 -11.228 -10.720 1.00 0.00 C ATOM 740 O GLY A 45 7.938 -12.401 -10.802 1.00 0.00 O ATOM 0 H GLY A 45 5.912 -10.448 -13.220 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.147 -10.813 -12.777 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.158 -9.399 -11.742 1.00 0.00 H new ATOM 744 N TYR A 46 7.299 -10.688 -9.575 1.00 0.00 N ATOM 745 CA TYR A 46 7.290 -11.512 -8.335 1.00 0.00 C ATOM 746 C TYR A 46 5.938 -11.430 -7.641 1.00 0.00 C ATOM 747 O TYR A 46 5.456 -10.365 -7.306 1.00 0.00 O ATOM 748 CB TYR A 46 8.381 -11.020 -7.383 1.00 0.00 C ATOM 749 CG TYR A 46 8.103 -11.543 -5.995 1.00 0.00 C ATOM 750 CD1 TYR A 46 8.023 -12.922 -5.767 1.00 0.00 C ATOM 751 CD2 TYR A 46 7.915 -10.647 -4.938 1.00 0.00 C ATOM 752 CE1 TYR A 46 7.756 -13.403 -4.479 1.00 0.00 C ATOM 753 CE2 TYR A 46 7.650 -11.127 -3.652 1.00 0.00 C ATOM 754 CZ TYR A 46 7.569 -12.505 -3.422 1.00 0.00 C ATOM 755 OH TYR A 46 7.307 -12.979 -2.152 1.00 0.00 O ATOM 0 H TYR A 46 7.034 -9.711 -9.448 1.00 0.00 H new ATOM 0 HA TYR A 46 7.479 -12.550 -8.609 1.00 0.00 H new ATOM 0 HB2 TYR A 46 9.358 -11.361 -7.724 1.00 0.00 H new ATOM 0 HB3 TYR A 46 8.409 -9.930 -7.375 1.00 0.00 H new ATOM 0 HD1 TYR A 46 8.167 -13.614 -6.583 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.975 -9.583 -5.115 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.694 -14.467 -4.302 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.508 -10.434 -2.836 1.00 0.00 H new ATOM 0 HH TYR A 46 7.204 -12.224 -1.536 1.00 0.00 H new ATOM 765 N SER A 47 5.335 -12.561 -7.405 1.00 0.00 N ATOM 766 CA SER A 47 4.027 -12.575 -6.710 1.00 0.00 C ATOM 767 C SER A 47 4.266 -12.293 -5.229 1.00 0.00 C ATOM 768 O SER A 47 5.347 -12.500 -4.714 1.00 0.00 O ATOM 769 CB SER A 47 3.370 -13.945 -6.877 1.00 0.00 C ATOM 770 OG SER A 47 3.272 -14.253 -8.262 1.00 0.00 O ATOM 0 H SER A 47 5.697 -13.478 -7.666 1.00 0.00 H new ATOM 0 HA SER A 47 3.368 -11.817 -7.133 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.956 -14.707 -6.364 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.380 -13.944 -6.422 1.00 0.00 H new ATOM 0 HG SER A 47 2.853 -15.132 -8.373 1.00 0.00 H new ATOM 776 N TYR A 48 3.274 -11.816 -4.543 1.00 0.00 N ATOM 777 CA TYR A 48 3.447 -11.511 -3.095 1.00 0.00 C ATOM 778 C TYR A 48 3.968 -12.754 -2.367 1.00 0.00 C ATOM 779 O TYR A 48 4.348 -13.732 -2.978 1.00 0.00 O ATOM 780 CB TYR A 48 2.101 -11.106 -2.494 1.00 0.00 C ATOM 781 CG TYR A 48 1.512 -9.877 -3.181 1.00 0.00 C ATOM 782 CD1 TYR A 48 2.198 -9.186 -4.205 1.00 0.00 C ATOM 783 CD2 TYR A 48 0.251 -9.420 -2.772 1.00 0.00 C ATOM 784 CE1 TYR A 48 1.617 -8.056 -4.796 1.00 0.00 C ATOM 785 CE2 TYR A 48 -0.321 -8.292 -3.369 1.00 0.00 C ATOM 786 CZ TYR A 48 0.361 -7.611 -4.378 1.00 0.00 C ATOM 787 OH TYR A 48 -0.208 -6.498 -4.962 1.00 0.00 O ATOM 0 H TYR A 48 2.346 -11.622 -4.920 1.00 0.00 H new ATOM 0 HA TYR A 48 4.160 -10.695 -2.983 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.402 -11.938 -2.578 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.226 -10.901 -1.431 1.00 0.00 H new ATOM 0 HD1 TYR A 48 3.169 -9.528 -4.532 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.282 -9.942 -1.991 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.142 -7.527 -5.578 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -1.293 -7.947 -3.048 1.00 0.00 H new ATOM 0 HH TYR A 48 -1.083 -6.326 -4.555 1.00 0.00 H new ATOM 797 N THR A 49 3.991 -12.720 -1.061 1.00 0.00 N ATOM 798 CA THR A 49 4.489 -13.893 -0.283 1.00 0.00 C ATOM 799 C THR A 49 3.501 -15.054 -0.418 1.00 0.00 C ATOM 800 O THR A 49 2.306 -14.857 -0.517 1.00 0.00 O ATOM 801 CB THR A 49 4.625 -13.508 1.192 1.00 0.00 C ATOM 802 OG1 THR A 49 5.450 -12.358 1.304 1.00 0.00 O ATOM 803 CG2 THR A 49 5.252 -14.667 1.968 1.00 0.00 C ATOM 0 H THR A 49 3.685 -11.927 -0.497 1.00 0.00 H new ATOM 0 HA THR A 49 5.461 -14.197 -0.670 1.00 0.00 H new ATOM 0 HB THR A 49 3.640 -13.290 1.604 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.903 -11.552 1.199 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.348 -14.392 3.018 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.617 -15.549 1.881 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.238 -14.888 1.559 1.00 0.00 H new ATOM 811 N ASP A 50 3.989 -16.266 -0.430 1.00 0.00 N ATOM 812 CA ASP A 50 3.076 -17.436 -0.570 1.00 0.00 C ATOM 813 C ASP A 50 1.938 -17.330 0.449 1.00 0.00 C ATOM 814 O ASP A 50 0.794 -17.596 0.137 1.00 0.00 O ATOM 815 CB ASP A 50 3.861 -18.726 -0.323 1.00 0.00 C ATOM 816 CG ASP A 50 2.987 -19.931 -0.676 1.00 0.00 C ATOM 817 OD1 ASP A 50 1.894 -19.720 -1.175 1.00 0.00 O ATOM 818 OD2 ASP A 50 3.425 -21.046 -0.440 1.00 0.00 O ATOM 0 H ASP A 50 4.980 -16.495 -0.349 1.00 0.00 H new ATOM 0 HA ASP A 50 2.658 -17.448 -1.577 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.769 -18.733 -0.926 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.171 -18.781 0.721 1.00 0.00 H new ATOM 823 N ALA A 51 2.232 -16.936 1.658 1.00 0.00 N ATOM 824 CA ALA A 51 1.147 -16.809 2.673 1.00 0.00 C ATOM 825 C ALA A 51 0.207 -15.685 2.242 1.00 0.00 C ATOM 826 O ALA A 51 -1.000 -15.830 2.232 1.00 0.00 O ATOM 827 CB ALA A 51 1.755 -16.476 4.037 1.00 0.00 C ATOM 0 H ALA A 51 3.168 -16.698 1.985 1.00 0.00 H new ATOM 0 HA ALA A 51 0.597 -17.747 2.750 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.960 -16.384 4.777 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.438 -17.272 4.335 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.301 -15.535 3.972 1.00 0.00 H new ATOM 833 N ASN A 52 0.762 -14.569 1.869 1.00 0.00 N ATOM 834 CA ASN A 52 -0.074 -13.426 1.415 1.00 0.00 C ATOM 835 C ASN A 52 -0.924 -13.862 0.226 1.00 0.00 C ATOM 836 O ASN A 52 -2.098 -13.561 0.140 1.00 0.00 O ATOM 837 CB ASN A 52 0.850 -12.286 0.991 1.00 0.00 C ATOM 838 CG ASN A 52 0.018 -11.095 0.525 1.00 0.00 C ATOM 839 OD1 ASN A 52 -1.195 -11.159 0.503 1.00 0.00 O ATOM 840 ND2 ASN A 52 0.619 -10.001 0.144 1.00 0.00 N ATOM 0 H ASN A 52 1.767 -14.398 1.859 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.728 -13.095 2.222 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.487 -11.992 1.825 1.00 0.00 H new ATOM 0 HB3 ASN A 52 1.508 -12.618 0.188 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.070 -9.201 -0.172 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.637 -9.946 0.162 1.00 0.00 H new ATOM 847 N ILE A 53 -0.337 -14.575 -0.692 1.00 0.00 N ATOM 848 CA ILE A 53 -1.100 -15.041 -1.879 1.00 0.00 C ATOM 849 C ILE A 53 -2.176 -16.032 -1.442 1.00 0.00 C ATOM 850 O ILE A 53 -3.233 -16.114 -2.034 1.00 0.00 O ATOM 851 CB ILE A 53 -0.147 -15.710 -2.861 1.00 0.00 C ATOM 852 CG1 ILE A 53 0.876 -14.679 -3.347 1.00 0.00 C ATOM 853 CG2 ILE A 53 -0.937 -16.254 -4.053 1.00 0.00 C ATOM 854 CD1 ILE A 53 1.937 -15.378 -4.199 1.00 0.00 C ATOM 0 H ILE A 53 0.643 -14.856 -0.670 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.578 -14.189 -2.363 1.00 0.00 H new ATOM 0 HB ILE A 53 0.369 -16.534 -2.369 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.379 -13.904 -3.930 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.345 -14.186 -2.495 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.254 -16.732 -4.755 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.667 -16.984 -3.703 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.454 -15.434 -4.552 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.666 -14.645 -4.546 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.442 -16.137 -3.601 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.461 -15.850 -5.058 1.00 0.00 H new ATOM 866 N LYS A 54 -1.923 -16.784 -0.404 1.00 0.00 N ATOM 867 CA LYS A 54 -2.946 -17.758 0.060 1.00 0.00 C ATOM 868 C LYS A 54 -4.253 -17.011 0.310 1.00 0.00 C ATOM 869 O LYS A 54 -5.319 -17.451 -0.075 1.00 0.00 O ATOM 870 CB LYS A 54 -2.477 -18.416 1.355 1.00 0.00 C ATOM 871 CG LYS A 54 -3.509 -19.450 1.804 1.00 0.00 C ATOM 872 CD LYS A 54 -3.070 -20.065 3.135 1.00 0.00 C ATOM 873 CE LYS A 54 -4.023 -21.201 3.513 1.00 0.00 C ATOM 874 NZ LYS A 54 -5.349 -20.633 3.884 1.00 0.00 N ATOM 0 H LYS A 54 -1.059 -16.765 0.137 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.096 -18.529 -0.696 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.510 -18.895 1.203 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.341 -17.662 2.130 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.486 -18.980 1.913 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.612 -20.228 1.048 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.051 -20.443 3.054 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.067 -19.304 3.916 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.132 -21.892 2.677 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.614 -21.772 4.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.942 -21.379 4.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.218 -19.868 4.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.815 -20.255 3.034 1.00 0.00 H new ATOM 888 N LYS A 55 -4.175 -15.869 0.934 1.00 0.00 N ATOM 889 CA LYS A 55 -5.407 -15.075 1.188 1.00 0.00 C ATOM 890 C LYS A 55 -5.478 -13.947 0.158 1.00 0.00 C ATOM 891 O LYS A 55 -4.641 -13.066 0.138 1.00 0.00 O ATOM 892 CB LYS A 55 -5.354 -14.474 2.594 1.00 0.00 C ATOM 893 CG LYS A 55 -6.719 -13.880 2.948 1.00 0.00 C ATOM 894 CD LYS A 55 -6.653 -13.231 4.332 1.00 0.00 C ATOM 895 CE LYS A 55 -8.052 -12.779 4.752 1.00 0.00 C ATOM 896 NZ LYS A 55 -7.941 -11.655 5.724 1.00 0.00 N ATOM 0 H LYS A 55 -3.310 -15.452 1.279 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.285 -15.716 1.108 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.081 -15.241 3.319 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.586 -13.702 2.642 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.010 -13.140 2.202 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.480 -14.660 2.937 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.255 -13.939 5.059 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.974 -12.378 4.313 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.621 -12.463 3.878 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.594 -13.610 5.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.187 -11.994 6.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.966 -11.293 5.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.593 -10.893 5.449 1.00 0.00 H new ATOM 910 N ASN A 56 -6.465 -13.967 -0.697 1.00 0.00 N ATOM 911 CA ASN A 56 -6.585 -12.895 -1.726 1.00 0.00 C ATOM 912 C ASN A 56 -7.909 -12.155 -1.542 1.00 0.00 C ATOM 913 O ASN A 56 -8.970 -12.746 -1.559 1.00 0.00 O ATOM 914 CB ASN A 56 -6.536 -13.514 -3.122 1.00 0.00 C ATOM 915 CG ASN A 56 -7.149 -14.915 -3.087 1.00 0.00 C ATOM 916 OD1 ASN A 56 -6.818 -15.716 -2.236 1.00 0.00 O ATOM 917 ND2 ASN A 56 -8.038 -15.246 -3.984 1.00 0.00 N ATOM 0 H ASN A 56 -7.194 -14.680 -0.727 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.758 -12.193 -1.613 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -7.080 -12.886 -3.828 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.505 -13.566 -3.471 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -8.454 -16.177 -3.970 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -8.316 -14.574 -4.699 1.00 0.00 H new ATOM 924 N VAL A 57 -7.848 -10.867 -1.359 1.00 0.00 N ATOM 925 CA VAL A 57 -9.091 -10.077 -1.162 1.00 0.00 C ATOM 926 C VAL A 57 -9.079 -8.852 -2.075 1.00 0.00 C ATOM 927 O VAL A 57 -8.064 -8.208 -2.250 1.00 0.00 O ATOM 928 CB VAL A 57 -9.169 -9.628 0.293 1.00 0.00 C ATOM 929 CG1 VAL A 57 -10.435 -8.797 0.510 1.00 0.00 C ATOM 930 CG2 VAL A 57 -9.205 -10.859 1.200 1.00 0.00 C ATOM 0 H VAL A 57 -6.984 -10.325 -1.337 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.956 -10.693 -1.407 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.296 -9.021 0.532 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.487 -8.478 1.551 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.410 -7.920 -0.137 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.311 -9.400 0.271 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.261 -10.542 2.241 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.079 -11.464 0.958 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.301 -11.449 1.048 1.00 0.00 H new ATOM 940 N LEU A 58 -10.202 -8.515 -2.647 1.00 0.00 N ATOM 941 CA LEU A 58 -10.243 -7.320 -3.530 1.00 0.00 C ATOM 942 C LEU A 58 -9.698 -6.132 -2.752 1.00 0.00 C ATOM 943 O LEU A 58 -9.899 -6.015 -1.559 1.00 0.00 O ATOM 944 CB LEU A 58 -11.680 -7.029 -3.951 1.00 0.00 C ATOM 945 CG LEU A 58 -11.705 -5.809 -4.877 1.00 0.00 C ATOM 946 CD1 LEU A 58 -10.995 -6.142 -6.192 1.00 0.00 C ATOM 947 CD2 LEU A 58 -13.156 -5.428 -5.168 1.00 0.00 C ATOM 0 H LEU A 58 -11.086 -9.013 -2.541 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.644 -7.501 -4.423 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -12.103 -7.894 -4.461 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -12.297 -6.844 -3.072 1.00 0.00 H new ATOM 0 HG LEU A 58 -11.194 -4.977 -4.393 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.015 -5.271 -6.847 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -9.961 -6.418 -5.987 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.503 -6.974 -6.679 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.179 -4.560 -5.827 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.662 -6.264 -5.651 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.664 -5.188 -4.234 1.00 0.00 H new ATOM 959 N TRP A 59 -8.999 -5.255 -3.411 1.00 0.00 N ATOM 960 CA TRP A 59 -8.431 -4.088 -2.699 1.00 0.00 C ATOM 961 C TRP A 59 -9.291 -2.846 -2.926 1.00 0.00 C ATOM 962 O TRP A 59 -9.924 -2.684 -3.950 1.00 0.00 O ATOM 963 CB TRP A 59 -7.008 -3.840 -3.195 1.00 0.00 C ATOM 964 CG TRP A 59 -6.072 -4.726 -2.441 1.00 0.00 C ATOM 965 CD1 TRP A 59 -5.249 -5.648 -2.993 1.00 0.00 C ATOM 966 CD2 TRP A 59 -5.862 -4.796 -1.002 1.00 0.00 C ATOM 967 NE1 TRP A 59 -4.535 -6.267 -1.984 1.00 0.00 N ATOM 968 CE2 TRP A 59 -4.880 -5.779 -0.738 1.00 0.00 C ATOM 969 CE3 TRP A 59 -6.419 -4.106 0.091 1.00 0.00 C ATOM 970 CZ2 TRP A 59 -4.467 -6.066 0.562 1.00 0.00 C ATOM 971 CZ3 TRP A 59 -6.006 -4.394 1.400 1.00 0.00 C ATOM 972 CH2 TRP A 59 -5.032 -5.373 1.636 1.00 0.00 C ATOM 0 H TRP A 59 -8.798 -5.298 -4.410 1.00 0.00 H new ATOM 0 HA TRP A 59 -8.414 -4.298 -1.629 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.941 -4.043 -4.264 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.735 -2.794 -3.051 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -5.164 -5.864 -4.048 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.838 -6.995 -2.140 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -7.170 -3.349 -0.080 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -3.714 -6.820 0.738 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -6.441 -3.858 2.231 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -4.718 -5.592 2.646 1.00 0.00 H new ATOM 983 N ASP A 60 -9.315 -1.971 -1.960 1.00 0.00 N ATOM 984 CA ASP A 60 -10.118 -0.726 -2.076 1.00 0.00 C ATOM 985 C ASP A 60 -9.497 0.326 -1.157 1.00 0.00 C ATOM 986 O ASP A 60 -8.745 0.002 -0.260 1.00 0.00 O ATOM 987 CB ASP A 60 -11.560 -1.002 -1.644 1.00 0.00 C ATOM 988 CG ASP A 60 -12.449 0.179 -2.038 1.00 0.00 C ATOM 989 OD1 ASP A 60 -11.971 1.038 -2.761 1.00 0.00 O ATOM 990 OD2 ASP A 60 -13.590 0.204 -1.610 1.00 0.00 O ATOM 0 H ASP A 60 -8.804 -2.069 -1.083 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.123 -0.372 -3.107 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.923 -1.916 -2.115 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.604 -1.159 -0.566 1.00 0.00 H new ATOM 995 N GLU A 61 -9.791 1.577 -1.362 1.00 0.00 N ATOM 996 CA GLU A 61 -9.191 2.615 -0.479 1.00 0.00 C ATOM 997 C GLU A 61 -9.549 2.303 0.973 1.00 0.00 C ATOM 998 O GLU A 61 -8.746 2.462 1.870 1.00 0.00 O ATOM 999 CB GLU A 61 -9.741 3.990 -0.856 1.00 0.00 C ATOM 1000 CG GLU A 61 -9.282 4.353 -2.268 1.00 0.00 C ATOM 1001 CD GLU A 61 -10.175 3.657 -3.299 1.00 0.00 C ATOM 1002 OE1 GLU A 61 -11.253 3.222 -2.927 1.00 0.00 O ATOM 1003 OE2 GLU A 61 -9.765 3.571 -4.445 1.00 0.00 O ATOM 0 H GLU A 61 -10.412 1.924 -2.093 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.108 2.617 -0.599 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.830 3.984 -0.806 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.394 4.740 -0.145 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.324 5.433 -2.407 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -8.244 4.053 -2.411 1.00 0.00 H new ATOM 1010 N ASN A 62 -10.749 1.852 1.211 1.00 0.00 N ATOM 1011 CA ASN A 62 -11.157 1.522 2.605 1.00 0.00 C ATOM 1012 C ASN A 62 -10.403 0.277 3.081 1.00 0.00 C ATOM 1013 O ASN A 62 -9.877 0.240 4.176 1.00 0.00 O ATOM 1014 CB ASN A 62 -12.662 1.253 2.645 1.00 0.00 C ATOM 1015 CG ASN A 62 -13.138 1.230 4.098 1.00 0.00 C ATOM 1016 OD1 ASN A 62 -13.042 2.220 4.795 1.00 0.00 O ATOM 1017 ND2 ASN A 62 -13.652 0.135 4.587 1.00 0.00 N ATOM 0 H ASN A 62 -11.465 1.698 0.501 1.00 0.00 H new ATOM 0 HA ASN A 62 -10.919 2.361 3.259 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.195 2.024 2.089 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.885 0.301 2.163 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -13.973 0.110 5.555 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -13.733 -0.696 4.002 1.00 0.00 H new ATOM 1024 N ASN A 63 -10.352 -0.748 2.270 1.00 0.00 N ATOM 1025 CA ASN A 63 -9.640 -1.989 2.680 1.00 0.00 C ATOM 1026 C ASN A 63 -8.141 -1.716 2.803 1.00 0.00 C ATOM 1027 O ASN A 63 -7.495 -2.142 3.741 1.00 0.00 O ATOM 1028 CB ASN A 63 -9.877 -3.073 1.628 1.00 0.00 C ATOM 1029 CG ASN A 63 -11.361 -3.441 1.599 1.00 0.00 C ATOM 1030 OD1 ASN A 63 -12.092 -3.140 2.522 1.00 0.00 O ATOM 1031 ND2 ASN A 63 -11.840 -4.088 0.572 1.00 0.00 N ATOM 0 H ASN A 63 -10.774 -0.777 1.342 1.00 0.00 H new ATOM 0 HA ASN A 63 -10.020 -2.321 3.646 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -9.560 -2.718 0.647 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.277 -3.954 1.857 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -12.828 -4.341 0.544 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -11.227 -4.341 -0.203 1.00 0.00 H new ATOM 1038 N MET A 64 -7.581 -1.008 1.863 1.00 0.00 N ATOM 1039 CA MET A 64 -6.127 -0.709 1.928 1.00 0.00 C ATOM 1040 C MET A 64 -5.831 0.135 3.166 1.00 0.00 C ATOM 1041 O MET A 64 -4.796 -0.002 3.786 1.00 0.00 O ATOM 1042 CB MET A 64 -5.700 0.043 0.666 1.00 0.00 C ATOM 1043 CG MET A 64 -5.757 -0.903 -0.534 1.00 0.00 C ATOM 1044 SD MET A 64 -4.803 -0.203 -1.904 1.00 0.00 S ATOM 1045 CE MET A 64 -3.156 -0.633 -1.277 1.00 0.00 C ATOM 0 H MET A 64 -8.068 -0.624 1.053 1.00 0.00 H new ATOM 0 HA MET A 64 -5.567 -1.642 1.992 1.00 0.00 H new ATOM 0 HB2 MET A 64 -6.355 0.898 0.500 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.690 0.434 0.787 1.00 0.00 H new ATOM 0 HG2 MET A 64 -5.357 -1.879 -0.260 1.00 0.00 H new ATOM 0 HG3 MET A 64 -6.792 -1.057 -0.840 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.454 -0.691 -2.109 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.823 0.131 -0.574 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.200 -1.597 -0.771 1.00 0.00 H new ATOM 1055 N SER A 65 -6.729 1.004 3.537 1.00 0.00 N ATOM 1056 CA SER A 65 -6.485 1.848 4.737 1.00 0.00 C ATOM 1057 C SER A 65 -6.222 0.942 5.942 1.00 0.00 C ATOM 1058 O SER A 65 -5.428 1.259 6.807 1.00 0.00 O ATOM 1059 CB SER A 65 -7.714 2.716 5.008 1.00 0.00 C ATOM 1060 OG SER A 65 -8.796 1.886 5.409 1.00 0.00 O ATOM 0 H SER A 65 -7.618 1.165 3.063 1.00 0.00 H new ATOM 0 HA SER A 65 -5.621 2.490 4.566 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.493 3.446 5.786 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.983 3.276 4.112 1.00 0.00 H new ATOM 0 HG SER A 65 -8.885 1.138 4.782 1.00 0.00 H new ATOM 1066 N GLU A 66 -6.873 -0.188 6.000 1.00 0.00 N ATOM 1067 CA GLU A 66 -6.646 -1.112 7.147 1.00 0.00 C ATOM 1068 C GLU A 66 -5.224 -1.669 7.071 1.00 0.00 C ATOM 1069 O GLU A 66 -4.531 -1.768 8.065 1.00 0.00 O ATOM 1070 CB GLU A 66 -7.646 -2.268 7.077 1.00 0.00 C ATOM 1071 CG GLU A 66 -9.068 -1.729 7.241 1.00 0.00 C ATOM 1072 CD GLU A 66 -10.058 -2.896 7.251 1.00 0.00 C ATOM 1073 OE1 GLU A 66 -9.638 -4.006 6.968 1.00 0.00 O ATOM 1074 OE2 GLU A 66 -11.219 -2.660 7.540 1.00 0.00 O ATOM 0 H GLU A 66 -7.549 -0.510 5.307 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.780 -0.571 8.084 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.551 -2.787 6.123 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.430 -2.996 7.859 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.149 -1.162 8.168 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.305 -1.044 6.427 1.00 0.00 H new ATOM 1081 N TYR A 67 -4.781 -2.033 5.898 1.00 0.00 N ATOM 1082 CA TYR A 67 -3.402 -2.583 5.758 1.00 0.00 C ATOM 1083 C TYR A 67 -2.372 -1.490 6.052 1.00 0.00 C ATOM 1084 O TYR A 67 -1.365 -1.727 6.685 1.00 0.00 O ATOM 1085 CB TYR A 67 -3.190 -3.096 4.334 1.00 0.00 C ATOM 1086 CG TYR A 67 -1.826 -3.738 4.246 1.00 0.00 C ATOM 1087 CD1 TYR A 67 -0.699 -2.951 3.986 1.00 0.00 C ATOM 1088 CD2 TYR A 67 -1.689 -5.120 4.431 1.00 0.00 C ATOM 1089 CE1 TYR A 67 0.567 -3.546 3.911 1.00 0.00 C ATOM 1090 CE2 TYR A 67 -0.424 -5.714 4.355 1.00 0.00 C ATOM 1091 CZ TYR A 67 0.704 -4.927 4.095 1.00 0.00 C ATOM 1092 OH TYR A 67 1.950 -5.513 4.022 1.00 0.00 O ATOM 0 H TYR A 67 -5.314 -1.973 5.031 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.278 -3.402 6.466 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -3.964 -3.818 4.074 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.267 -2.275 3.622 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -0.805 -1.886 3.843 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.559 -5.727 4.632 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.438 -2.939 3.711 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.318 -6.779 4.497 1.00 0.00 H new ATOM 0 HH TYR A 67 1.867 -6.478 4.174 1.00 0.00 H new ATOM 1102 N LEU A 68 -2.609 -0.298 5.581 1.00 0.00 N ATOM 1103 CA LEU A 68 -1.634 0.804 5.817 1.00 0.00 C ATOM 1104 C LEU A 68 -1.359 0.962 7.311 1.00 0.00 C ATOM 1105 O LEU A 68 -0.258 1.280 7.715 1.00 0.00 O ATOM 1106 CB LEU A 68 -2.198 2.108 5.258 1.00 0.00 C ATOM 1107 CG LEU A 68 -1.697 2.312 3.828 1.00 0.00 C ATOM 1108 CD1 LEU A 68 -2.232 1.205 2.915 1.00 0.00 C ATOM 1109 CD2 LEU A 68 -2.189 3.662 3.314 1.00 0.00 C ATOM 0 H LEU A 68 -3.436 -0.039 5.043 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.698 0.562 5.314 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.288 2.080 5.272 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.892 2.946 5.884 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.607 2.281 3.825 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.868 1.363 1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.888 0.236 3.278 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.322 1.227 2.917 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.835 3.814 2.294 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.279 3.681 3.327 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.805 4.457 3.954 1.00 0.00 H new ATOM 1121 N THR A 69 -2.339 0.743 8.139 1.00 0.00 N ATOM 1122 CA THR A 69 -2.108 0.883 9.599 1.00 0.00 C ATOM 1123 C THR A 69 -0.831 0.127 9.968 1.00 0.00 C ATOM 1124 O THR A 69 -0.007 0.604 10.724 1.00 0.00 O ATOM 1125 CB THR A 69 -3.300 0.289 10.349 1.00 0.00 C ATOM 1126 OG1 THR A 69 -4.502 0.859 9.851 1.00 0.00 O ATOM 1127 CG2 THR A 69 -3.167 0.599 11.835 1.00 0.00 C ATOM 0 H THR A 69 -3.285 0.474 7.869 1.00 0.00 H new ATOM 0 HA THR A 69 -2.000 1.933 9.869 1.00 0.00 H new ATOM 0 HB THR A 69 -3.323 -0.791 10.203 1.00 0.00 H new ATOM 0 HG1 THR A 69 -4.878 0.276 9.159 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.016 0.176 12.372 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.243 0.164 12.216 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.146 1.679 11.981 1.00 0.00 H new ATOM 1135 N ASN A 70 -0.654 -1.040 9.417 1.00 0.00 N ATOM 1136 CA ASN A 70 0.574 -1.833 9.700 1.00 0.00 C ATOM 1137 C ASN A 70 0.716 -2.910 8.621 1.00 0.00 C ATOM 1138 O ASN A 70 -0.238 -3.259 7.957 1.00 0.00 O ATOM 1139 CB ASN A 70 0.476 -2.480 11.085 1.00 0.00 C ATOM 1140 CG ASN A 70 1.863 -2.952 11.524 1.00 0.00 C ATOM 1141 OD1 ASN A 70 2.757 -2.152 11.717 1.00 0.00 O ATOM 1142 ND2 ASN A 70 2.082 -4.228 11.691 1.00 0.00 N ATOM 0 H ASN A 70 -1.313 -1.483 8.777 1.00 0.00 H new ATOM 0 HA ASN A 70 1.448 -1.182 9.690 1.00 0.00 H new ATOM 0 HB2 ASN A 70 0.078 -1.765 11.805 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -0.215 -3.322 11.057 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.003 -4.553 11.983 1.00 0.00 H new ATOM 0 HD22 ASN A 70 1.332 -4.900 11.529 1.00 0.00 H new ATOM 1149 N HIS A 71 1.894 -3.428 8.424 1.00 0.00 N ATOM 1150 CA HIS A 71 2.078 -4.462 7.365 1.00 0.00 C ATOM 1151 C HIS A 71 1.520 -5.812 7.820 1.00 0.00 C ATOM 1152 O HIS A 71 1.610 -6.180 8.973 1.00 0.00 O ATOM 1153 CB HIS A 71 3.569 -4.616 7.057 1.00 0.00 C ATOM 1154 CG HIS A 71 3.953 -3.693 5.933 1.00 0.00 C ATOM 1155 ND1 HIS A 71 4.138 -2.330 6.122 1.00 0.00 N ATOM 1156 CD2 HIS A 71 4.206 -3.926 4.602 1.00 0.00 C ATOM 1157 CE1 HIS A 71 4.486 -1.798 4.934 1.00 0.00 C ATOM 1158 NE2 HIS A 71 4.539 -2.729 3.984 1.00 0.00 N ATOM 0 H HIS A 71 2.735 -3.183 8.946 1.00 0.00 H new ATOM 0 HA HIS A 71 1.540 -4.141 6.473 1.00 0.00 H new ATOM 0 HB2 HIS A 71 4.159 -4.388 7.945 1.00 0.00 H new ATOM 0 HB3 HIS A 71 3.789 -5.648 6.784 1.00 0.00 H new ATOM 0 HD1 HIS A 71 4.030 -1.823 7.001 1.00 0.00 H new ATOM 0 HD2 HIS A 71 4.154 -4.888 4.115 1.00 0.00 H new ATOM 0 HE1 HIS A 71 4.695 -0.751 4.773 1.00 0.00 H new ATOM 1166 N ALA A 72 0.961 -6.555 6.901 1.00 0.00 N ATOM 1167 CA ALA A 72 0.409 -7.899 7.237 1.00 0.00 C ATOM 1168 C ALA A 72 -0.794 -7.783 8.177 1.00 0.00 C ATOM 1169 O ALA A 72 -1.371 -8.776 8.574 1.00 0.00 O ATOM 1170 CB ALA A 72 1.496 -8.736 7.909 1.00 0.00 C ATOM 0 H ALA A 72 0.863 -6.284 5.922 1.00 0.00 H new ATOM 0 HA ALA A 72 0.079 -8.377 6.314 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.097 -9.720 8.157 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.341 -8.848 7.230 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.827 -8.239 8.821 1.00 0.00 H new ATOM 1176 N LYS A 73 -1.191 -6.594 8.540 1.00 0.00 N ATOM 1177 CA LYS A 73 -2.363 -6.469 9.452 1.00 0.00 C ATOM 1178 C LYS A 73 -3.568 -7.147 8.804 1.00 0.00 C ATOM 1179 O LYS A 73 -4.234 -7.967 9.406 1.00 0.00 O ATOM 1180 CB LYS A 73 -2.685 -4.994 9.682 1.00 0.00 C ATOM 1181 CG LYS A 73 -3.774 -4.869 10.750 1.00 0.00 C ATOM 1182 CD LYS A 73 -4.122 -3.394 10.956 1.00 0.00 C ATOM 1183 CE LYS A 73 -5.104 -3.258 12.122 1.00 0.00 C ATOM 1184 NZ LYS A 73 -6.221 -4.229 11.946 1.00 0.00 N ATOM 0 H LYS A 73 -0.762 -5.715 8.250 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.133 -6.941 10.407 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.789 -4.460 9.997 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -3.019 -4.534 8.752 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -4.662 -5.424 10.446 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -3.430 -5.307 11.687 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -3.217 -2.821 11.160 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -4.561 -2.983 10.047 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.592 -3.443 13.066 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -5.495 -2.241 12.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -7.025 -3.945 12.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -6.516 -4.242 10.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -5.902 -5.179 12.225 1.00 0.00 H new ATOM 1198 N TYR A 74 -3.842 -6.820 7.573 1.00 0.00 N ATOM 1199 CA TYR A 74 -4.991 -7.450 6.871 1.00 0.00 C ATOM 1200 C TYR A 74 -4.650 -8.915 6.591 1.00 0.00 C ATOM 1201 O TYR A 74 -5.501 -9.783 6.620 1.00 0.00 O ATOM 1202 CB TYR A 74 -5.243 -6.716 5.552 1.00 0.00 C ATOM 1203 CG TYR A 74 -6.575 -7.138 4.986 1.00 0.00 C ATOM 1204 CD1 TYR A 74 -7.743 -6.477 5.383 1.00 0.00 C ATOM 1205 CD2 TYR A 74 -6.643 -8.186 4.061 1.00 0.00 C ATOM 1206 CE1 TYR A 74 -8.980 -6.865 4.858 1.00 0.00 C ATOM 1207 CE2 TYR A 74 -7.880 -8.574 3.535 1.00 0.00 C ATOM 1208 CZ TYR A 74 -9.049 -7.913 3.933 1.00 0.00 C ATOM 1209 OH TYR A 74 -10.269 -8.296 3.413 1.00 0.00 O ATOM 0 H TYR A 74 -3.317 -6.141 7.022 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.887 -7.392 7.489 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.231 -5.638 5.716 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.447 -6.940 4.842 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.689 -5.667 6.095 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.741 -8.695 3.753 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -9.881 -6.356 5.166 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.934 -9.383 2.822 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.869 -7.522 3.382 1.00 0.00 H new ATOM 1219 N ILE A 75 -3.401 -9.187 6.319 1.00 0.00 N ATOM 1220 CA ILE A 75 -2.971 -10.585 6.029 1.00 0.00 C ATOM 1221 C ILE A 75 -1.846 -10.977 6.995 1.00 0.00 C ATOM 1222 O ILE A 75 -0.678 -10.908 6.666 1.00 0.00 O ATOM 1223 CB ILE A 75 -2.454 -10.664 4.589 1.00 0.00 C ATOM 1224 CG1 ILE A 75 -2.360 -9.251 4.009 1.00 0.00 C ATOM 1225 CG2 ILE A 75 -3.406 -11.502 3.736 1.00 0.00 C ATOM 1226 CD1 ILE A 75 -1.623 -9.301 2.673 1.00 0.00 C ATOM 0 H ILE A 75 -2.654 -8.493 6.285 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.814 -11.264 6.154 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.469 -11.131 4.586 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.358 -8.835 3.871 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.834 -8.595 4.703 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.030 -11.552 2.714 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.473 -12.509 4.148 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.395 -11.043 3.737 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.555 -8.296 2.257 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.620 -9.700 2.825 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.167 -9.943 1.981 1.00 0.00 H new ATOM 1238 N PRO A 76 -2.194 -11.380 8.184 1.00 0.00 N ATOM 1239 CA PRO A 76 -1.197 -11.786 9.215 1.00 0.00 C ATOM 1240 C PRO A 76 -0.353 -12.978 8.763 1.00 0.00 C ATOM 1241 O PRO A 76 -0.810 -13.839 8.037 1.00 0.00 O ATOM 1242 CB PRO A 76 -2.042 -12.163 10.439 1.00 0.00 C ATOM 1243 CG PRO A 76 -3.402 -11.591 10.192 1.00 0.00 C ATOM 1244 CD PRO A 76 -3.571 -11.490 8.679 1.00 0.00 C ATOM 0 HA PRO A 76 -0.486 -10.984 9.417 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -2.090 -13.245 10.562 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -1.608 -11.757 11.353 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.173 -12.228 10.625 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.499 -10.610 10.658 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.074 -12.367 8.272 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.168 -10.622 8.399 1.00 0.00 H new ATOM 1252 N GLY A 77 0.877 -13.031 9.188 1.00 0.00 N ATOM 1253 CA GLY A 77 1.758 -14.160 8.787 1.00 0.00 C ATOM 1254 C GLY A 77 2.676 -13.712 7.651 1.00 0.00 C ATOM 1255 O GLY A 77 3.635 -14.381 7.318 1.00 0.00 O ATOM 0 H GLY A 77 1.311 -12.338 9.798 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.352 -14.492 9.639 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.155 -15.010 8.468 1.00 0.00 H new ATOM 1259 N THR A 78 2.397 -12.586 7.048 1.00 0.00 N ATOM 1260 CA THR A 78 3.266 -12.114 5.938 1.00 0.00 C ATOM 1261 C THR A 78 4.474 -11.365 6.505 1.00 0.00 C ATOM 1262 O THR A 78 4.558 -11.101 7.687 1.00 0.00 O ATOM 1263 CB THR A 78 2.470 -11.201 5.008 1.00 0.00 C ATOM 1264 OG1 THR A 78 2.073 -10.033 5.711 1.00 0.00 O ATOM 1265 CG2 THR A 78 1.237 -11.948 4.504 1.00 0.00 C ATOM 0 H THR A 78 1.610 -11.979 7.276 1.00 0.00 H new ATOM 0 HA THR A 78 3.620 -12.974 5.370 1.00 0.00 H new ATOM 0 HB THR A 78 3.090 -10.911 4.160 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.489 -9.247 5.300 1.00 0.00 H new ATOM 0 HG21 THR A 78 0.665 -11.300 3.840 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.549 -12.840 3.961 1.00 0.00 H new ATOM 0 HG23 THR A 78 0.615 -12.238 5.351 1.00 0.00 H new ATOM 1273 N LYS A 79 5.419 -11.040 5.666 1.00 0.00 N ATOM 1274 CA LYS A 79 6.640 -10.329 6.144 1.00 0.00 C ATOM 1275 C LYS A 79 6.279 -8.920 6.623 1.00 0.00 C ATOM 1276 O LYS A 79 5.366 -8.294 6.124 1.00 0.00 O ATOM 1277 CB LYS A 79 7.634 -10.214 4.988 1.00 0.00 C ATOM 1278 CG LYS A 79 7.983 -11.608 4.463 1.00 0.00 C ATOM 1279 CD LYS A 79 9.035 -11.484 3.360 1.00 0.00 C ATOM 1280 CE LYS A 79 9.221 -12.839 2.674 1.00 0.00 C ATOM 1281 NZ LYS A 79 10.675 -13.148 2.570 1.00 0.00 N ATOM 0 H LYS A 79 5.398 -11.237 4.665 1.00 0.00 H new ATOM 0 HA LYS A 79 7.077 -10.890 6.970 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.206 -9.611 4.187 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.538 -9.705 5.323 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.361 -12.230 5.274 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.089 -12.098 4.076 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.726 -10.735 2.631 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.981 -11.146 3.782 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.712 -13.619 3.241 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.770 -12.821 1.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.802 -14.069 2.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 11.148 -12.409 2.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 11.092 -13.182 3.522 1.00 0.00 H new ATOM 1295 N MET A 80 7.010 -8.415 7.582 1.00 0.00 N ATOM 1296 CA MET A 80 6.743 -7.042 8.100 1.00 0.00 C ATOM 1297 C MET A 80 8.032 -6.223 7.986 1.00 0.00 C ATOM 1298 O MET A 80 9.113 -6.773 7.913 1.00 0.00 O ATOM 1299 CB MET A 80 6.318 -7.119 9.568 1.00 0.00 C ATOM 1300 CG MET A 80 4.987 -7.866 9.681 1.00 0.00 C ATOM 1301 SD MET A 80 4.433 -7.844 11.404 1.00 0.00 S ATOM 1302 CE MET A 80 3.006 -8.939 11.200 1.00 0.00 C ATOM 0 H MET A 80 7.787 -8.900 8.032 1.00 0.00 H new ATOM 0 HA MET A 80 5.945 -6.574 7.523 1.00 0.00 H new ATOM 0 HB2 MET A 80 7.084 -7.630 10.152 1.00 0.00 H new ATOM 0 HB3 MET A 80 6.219 -6.115 9.981 1.00 0.00 H new ATOM 0 HG2 MET A 80 4.239 -7.399 9.041 1.00 0.00 H new ATOM 0 HG3 MET A 80 5.103 -8.894 9.338 1.00 0.00 H new ATOM 0 HE1 MET A 80 2.938 -9.611 12.055 1.00 0.00 H new ATOM 0 HE2 MET A 80 2.096 -8.342 11.134 1.00 0.00 H new ATOM 0 HE3 MET A 80 3.123 -9.524 10.288 1.00 0.00 H new ATOM 1312 N ALA A 81 7.942 -4.921 7.967 1.00 0.00 N ATOM 1313 CA ALA A 81 9.187 -4.109 7.853 1.00 0.00 C ATOM 1314 C ALA A 81 8.890 -2.621 8.062 1.00 0.00 C ATOM 1315 O ALA A 81 9.748 -1.866 8.471 1.00 0.00 O ATOM 1316 CB ALA A 81 9.795 -4.314 6.465 1.00 0.00 C ATOM 0 H ALA A 81 7.073 -4.390 8.025 1.00 0.00 H new ATOM 0 HA ALA A 81 9.887 -4.433 8.623 1.00 0.00 H new ATOM 0 HB1 ALA A 81 10.706 -3.722 6.376 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.032 -5.369 6.324 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.081 -3.997 5.705 1.00 0.00 H new ATOM 1322 N PHE A 82 7.692 -2.181 7.782 1.00 0.00 N ATOM 1323 CA PHE A 82 7.385 -0.734 7.972 1.00 0.00 C ATOM 1324 C PHE A 82 6.841 -0.513 9.388 1.00 0.00 C ATOM 1325 O PHE A 82 6.045 -1.287 9.884 1.00 0.00 O ATOM 1326 CB PHE A 82 6.347 -0.275 6.946 1.00 0.00 C ATOM 1327 CG PHE A 82 6.293 1.228 6.949 1.00 0.00 C ATOM 1328 CD1 PHE A 82 7.266 1.962 6.262 1.00 0.00 C ATOM 1329 CD2 PHE A 82 5.284 1.890 7.650 1.00 0.00 C ATOM 1330 CE1 PHE A 82 7.226 3.359 6.272 1.00 0.00 C ATOM 1331 CE2 PHE A 82 5.243 3.287 7.663 1.00 0.00 C ATOM 1332 CZ PHE A 82 6.214 4.023 6.973 1.00 0.00 C ATOM 0 H PHE A 82 6.922 -2.753 7.434 1.00 0.00 H new ATOM 0 HA PHE A 82 8.297 -0.154 7.833 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.610 -0.641 5.954 1.00 0.00 H new ATOM 0 HB3 PHE A 82 5.368 -0.688 7.189 1.00 0.00 H new ATOM 0 HD1 PHE A 82 8.049 1.449 5.723 1.00 0.00 H new ATOM 0 HD2 PHE A 82 4.535 1.323 8.182 1.00 0.00 H new ATOM 0 HE1 PHE A 82 7.976 3.925 5.739 1.00 0.00 H new ATOM 0 HE2 PHE A 82 4.462 3.799 8.205 1.00 0.00 H new ATOM 0 HZ PHE A 82 6.182 5.102 6.982 1.00 0.00 H new ATOM 1342 N GLY A 83 7.274 0.529 10.046 1.00 0.00 N ATOM 1343 CA GLY A 83 6.796 0.794 11.438 1.00 0.00 C ATOM 1344 C GLY A 83 5.266 0.858 11.476 1.00 0.00 C ATOM 1345 O GLY A 83 4.643 0.355 12.390 1.00 0.00 O ATOM 0 H GLY A 83 7.939 1.210 9.681 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.150 0.009 12.106 1.00 0.00 H new ATOM 0 HA3 GLY A 83 7.214 1.733 11.800 1.00 0.00 H new ATOM 1349 N GLY A 84 4.655 1.472 10.496 1.00 0.00 N ATOM 1350 CA GLY A 84 3.164 1.566 10.480 1.00 0.00 C ATOM 1351 C GLY A 84 2.736 3.037 10.471 1.00 0.00 C ATOM 1352 O GLY A 84 3.263 3.853 11.200 1.00 0.00 O ATOM 0 H GLY A 84 5.125 1.913 9.705 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.768 1.057 9.601 1.00 0.00 H new ATOM 0 HA3 GLY A 84 2.749 1.063 11.353 1.00 0.00 H new ATOM 1356 N LEU A 85 1.778 3.378 9.650 1.00 0.00 N ATOM 1357 CA LEU A 85 1.305 4.788 9.586 1.00 0.00 C ATOM 1358 C LEU A 85 0.122 4.961 10.538 1.00 0.00 C ATOM 1359 O LEU A 85 -0.993 5.205 10.123 1.00 0.00 O ATOM 1360 CB LEU A 85 0.866 5.102 8.155 1.00 0.00 C ATOM 1361 CG LEU A 85 1.970 4.707 7.163 1.00 0.00 C ATOM 1362 CD1 LEU A 85 1.392 4.686 5.750 1.00 0.00 C ATOM 1363 CD2 LEU A 85 3.116 5.725 7.204 1.00 0.00 C ATOM 0 H LEU A 85 1.301 2.735 9.018 1.00 0.00 H new ATOM 0 HA LEU A 85 2.107 5.466 9.877 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.052 4.563 7.922 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.645 6.165 8.060 1.00 0.00 H new ATOM 0 HG LEU A 85 2.350 3.723 7.437 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.172 4.406 5.042 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.579 3.961 5.700 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.011 5.676 5.498 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.890 5.430 6.495 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.736 6.711 6.937 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.538 5.758 8.209 1.00 0.00 H new ATOM 1375 N LYS A 86 0.360 4.838 11.816 1.00 0.00 N ATOM 1376 CA LYS A 86 -0.743 4.996 12.800 1.00 0.00 C ATOM 1377 C LYS A 86 -1.367 6.382 12.642 1.00 0.00 C ATOM 1378 O LYS A 86 -2.550 6.569 12.843 1.00 0.00 O ATOM 1379 CB LYS A 86 -0.182 4.843 14.213 1.00 0.00 C ATOM 1380 CG LYS A 86 0.342 3.419 14.405 1.00 0.00 C ATOM 1381 CD LYS A 86 0.794 3.231 15.855 1.00 0.00 C ATOM 1382 CE LYS A 86 1.429 1.848 16.017 1.00 0.00 C ATOM 1383 NZ LYS A 86 0.516 0.971 16.805 1.00 0.00 N ATOM 0 H LYS A 86 1.274 4.634 12.220 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.504 4.235 12.627 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.621 5.562 14.376 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.957 5.058 14.948 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.437 2.697 14.160 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.174 3.232 13.727 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.511 4.006 16.127 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.057 3.333 16.528 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.620 1.407 15.039 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.392 1.935 16.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 0.947 0.031 16.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 0.356 1.391 17.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -0.392 0.879 16.307 1.00 0.00 H new ATOM 1397 N LYS A 87 -0.578 7.357 12.284 1.00 0.00 N ATOM 1398 CA LYS A 87 -1.126 8.730 12.114 1.00 0.00 C ATOM 1399 C LYS A 87 -2.032 8.763 10.881 1.00 0.00 C ATOM 1400 O LYS A 87 -1.640 8.374 9.800 1.00 0.00 O ATOM 1401 CB LYS A 87 0.028 9.720 11.931 1.00 0.00 C ATOM 1402 CG LYS A 87 -0.511 11.151 11.983 1.00 0.00 C ATOM 1403 CD LYS A 87 0.638 12.135 11.760 1.00 0.00 C ATOM 1404 CE LYS A 87 0.137 13.564 11.973 1.00 0.00 C ATOM 1405 NZ LYS A 87 -1.333 13.543 12.220 1.00 0.00 N ATOM 0 H LYS A 87 0.421 7.262 12.102 1.00 0.00 H new ATOM 0 HA LYS A 87 -1.703 9.007 12.997 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.774 9.573 12.712 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.525 9.542 10.978 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.277 11.291 11.220 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -0.983 11.339 12.947 1.00 0.00 H new ATOM 0 HD2 LYS A 87 1.455 11.919 12.449 1.00 0.00 H new ATOM 0 HD3 LYS A 87 1.034 12.024 10.751 1.00 0.00 H new ATOM 0 HE2 LYS A 87 0.652 14.019 12.819 1.00 0.00 H new ATOM 0 HE3 LYS A 87 0.361 14.174 11.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -1.708 14.511 12.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -1.797 12.949 11.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -1.521 13.154 13.166 1.00 0.00 H new ATOM 1419 N GLU A 88 -3.242 9.219 11.041 1.00 0.00 N ATOM 1420 CA GLU A 88 -4.182 9.274 9.888 1.00 0.00 C ATOM 1421 C GLU A 88 -3.663 10.256 8.835 1.00 0.00 C ATOM 1422 O GLU A 88 -3.934 10.119 7.659 1.00 0.00 O ATOM 1423 CB GLU A 88 -5.556 9.730 10.374 1.00 0.00 C ATOM 1424 CG GLU A 88 -6.134 8.684 11.328 1.00 0.00 C ATOM 1425 CD GLU A 88 -7.538 9.108 11.763 1.00 0.00 C ATOM 1426 OE1 GLU A 88 -7.917 10.228 11.461 1.00 0.00 O ATOM 1427 OE2 GLU A 88 -8.211 8.306 12.389 1.00 0.00 O ATOM 0 H GLU A 88 -3.622 9.558 11.925 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.260 8.282 9.443 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.474 10.692 10.879 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.225 9.872 9.525 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.172 7.711 10.838 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.489 8.576 12.200 1.00 0.00 H new ATOM 1434 N LYS A 89 -2.933 11.256 9.249 1.00 0.00 N ATOM 1435 CA LYS A 89 -2.417 12.253 8.268 1.00 0.00 C ATOM 1436 C LYS A 89 -1.611 11.544 7.182 1.00 0.00 C ATOM 1437 O LYS A 89 -1.849 11.722 6.004 1.00 0.00 O ATOM 1438 CB LYS A 89 -1.508 13.246 8.991 1.00 0.00 C ATOM 1439 CG LYS A 89 -1.159 14.399 8.048 1.00 0.00 C ATOM 1440 CD LYS A 89 -0.201 15.362 8.752 1.00 0.00 C ATOM 1441 CE LYS A 89 0.034 16.587 7.865 1.00 0.00 C ATOM 1442 NZ LYS A 89 -0.294 16.247 6.452 1.00 0.00 N ATOM 0 H LYS A 89 -2.672 11.425 10.220 1.00 0.00 H new ATOM 0 HA LYS A 89 -3.258 12.776 7.813 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -2.006 13.629 9.882 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -0.598 12.747 9.324 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -0.700 14.012 7.138 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -2.065 14.925 7.749 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.617 15.669 9.712 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.746 14.863 8.960 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -0.585 17.418 8.203 1.00 0.00 H new ATOM 0 HE3 LYS A 89 1.072 16.911 7.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 0.038 17.008 5.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 0.174 15.355 6.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -1.323 16.140 6.351 1.00 0.00 H new ATOM 1456 N ASP A 90 -0.659 10.746 7.566 1.00 0.00 N ATOM 1457 CA ASP A 90 0.159 10.032 6.550 1.00 0.00 C ATOM 1458 C ASP A 90 -0.724 9.043 5.791 1.00 0.00 C ATOM 1459 O ASP A 90 -0.713 8.985 4.578 1.00 0.00 O ATOM 1460 CB ASP A 90 1.284 9.267 7.246 1.00 0.00 C ATOM 1461 CG ASP A 90 2.186 10.250 7.994 1.00 0.00 C ATOM 1462 OD1 ASP A 90 2.129 11.429 7.686 1.00 0.00 O ATOM 1463 OD2 ASP A 90 2.918 9.806 8.864 1.00 0.00 O ATOM 0 H ASP A 90 -0.411 10.557 8.537 1.00 0.00 H new ATOM 0 HA ASP A 90 0.584 10.756 5.854 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.866 8.539 7.942 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.866 8.709 6.513 1.00 0.00 H new ATOM 1468 N ARG A 91 -1.489 8.261 6.502 1.00 0.00 N ATOM 1469 CA ARG A 91 -2.375 7.270 5.831 1.00 0.00 C ATOM 1470 C ARG A 91 -3.320 7.979 4.857 1.00 0.00 C ATOM 1471 O ARG A 91 -3.568 7.505 3.766 1.00 0.00 O ATOM 1472 CB ARG A 91 -3.200 6.534 6.888 1.00 0.00 C ATOM 1473 CG ARG A 91 -4.019 5.428 6.220 1.00 0.00 C ATOM 1474 CD ARG A 91 -4.953 4.789 7.250 1.00 0.00 C ATOM 1475 NE ARG A 91 -4.148 4.227 8.370 1.00 0.00 N ATOM 1476 CZ ARG A 91 -4.747 3.737 9.421 1.00 0.00 C ATOM 1477 NH1 ARG A 91 -6.051 3.732 9.485 1.00 0.00 N ATOM 1478 NH2 ARG A 91 -4.045 3.249 10.406 1.00 0.00 N ATOM 0 H ARG A 91 -1.538 8.266 7.521 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.760 6.561 5.277 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -2.542 6.107 7.645 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -3.862 7.233 7.399 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -4.599 5.839 5.394 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -3.355 4.673 5.799 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -5.655 5.531 7.630 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -5.544 4.002 6.782 1.00 0.00 H new ATOM 0 HE ARG A 91 -3.129 4.225 8.316 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -6.601 4.111 8.714 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -6.520 3.349 10.306 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -3.026 3.250 10.356 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -4.515 2.866 11.227 1.00 0.00 H new ATOM 1492 N ASN A 92 -3.862 9.102 5.243 1.00 0.00 N ATOM 1493 CA ASN A 92 -4.800 9.822 4.336 1.00 0.00 C ATOM 1494 C ASN A 92 -4.050 10.378 3.127 1.00 0.00 C ATOM 1495 O ASN A 92 -4.403 10.119 1.993 1.00 0.00 O ATOM 1496 CB ASN A 92 -5.453 10.977 5.096 1.00 0.00 C ATOM 1497 CG ASN A 92 -6.329 10.425 6.221 1.00 0.00 C ATOM 1498 OD1 ASN A 92 -6.543 9.233 6.312 1.00 0.00 O ATOM 1499 ND2 ASN A 92 -6.859 11.251 7.080 1.00 0.00 N ATOM 0 H ASN A 92 -3.697 9.551 6.144 1.00 0.00 H new ATOM 0 HA ASN A 92 -5.562 9.123 3.991 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -4.686 11.633 5.508 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -6.055 11.578 4.415 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -7.454 10.896 7.829 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -6.679 12.252 7.003 1.00 0.00 H new ATOM 1506 N ASP A 93 -3.023 11.146 3.355 1.00 0.00 N ATOM 1507 CA ASP A 93 -2.258 11.724 2.215 1.00 0.00 C ATOM 1508 C ASP A 93 -1.643 10.598 1.387 1.00 0.00 C ATOM 1509 O ASP A 93 -1.639 10.635 0.173 1.00 0.00 O ATOM 1510 CB ASP A 93 -1.148 12.628 2.752 1.00 0.00 C ATOM 1511 CG ASP A 93 -1.768 13.847 3.436 1.00 0.00 C ATOM 1512 OD1 ASP A 93 -2.957 14.060 3.259 1.00 0.00 O ATOM 1513 OD2 ASP A 93 -1.045 14.548 4.125 1.00 0.00 O ATOM 0 H ASP A 93 -2.679 11.399 4.281 1.00 0.00 H new ATOM 0 HA ASP A 93 -2.931 12.308 1.587 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -0.527 12.078 3.459 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -0.498 12.947 1.937 1.00 0.00 H new ATOM 1518 N LEU A 94 -1.123 9.597 2.036 1.00 0.00 N ATOM 1519 CA LEU A 94 -0.502 8.463 1.297 1.00 0.00 C ATOM 1520 C LEU A 94 -1.471 7.942 0.243 1.00 0.00 C ATOM 1521 O LEU A 94 -1.183 7.932 -0.937 1.00 0.00 O ATOM 1522 CB LEU A 94 -0.192 7.344 2.291 1.00 0.00 C ATOM 1523 CG LEU A 94 0.317 6.105 1.549 1.00 0.00 C ATOM 1524 CD1 LEU A 94 1.527 6.473 0.690 1.00 0.00 C ATOM 1525 CD2 LEU A 94 0.727 5.045 2.572 1.00 0.00 C ATOM 0 H LEU A 94 -1.101 9.514 3.052 1.00 0.00 H new ATOM 0 HA LEU A 94 0.412 8.799 0.808 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.557 7.681 3.008 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.088 7.094 2.860 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.473 5.717 0.906 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.884 5.587 0.165 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.240 7.234 -0.036 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.321 6.861 1.328 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.091 4.159 2.052 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.517 5.441 3.210 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.134 4.778 3.184 1.00 0.00 H new ATOM 1537 N ILE A 95 -2.613 7.503 0.670 1.00 0.00 N ATOM 1538 CA ILE A 95 -3.615 6.969 -0.281 1.00 0.00 C ATOM 1539 C ILE A 95 -4.116 8.072 -1.210 1.00 0.00 C ATOM 1540 O ILE A 95 -4.448 7.826 -2.353 1.00 0.00 O ATOM 1541 CB ILE A 95 -4.771 6.384 0.512 1.00 0.00 C ATOM 1542 CG1 ILE A 95 -4.254 5.189 1.313 1.00 0.00 C ATOM 1543 CG2 ILE A 95 -5.869 5.941 -0.446 1.00 0.00 C ATOM 1544 CD1 ILE A 95 -5.370 4.640 2.208 1.00 0.00 C ATOM 0 H ILE A 95 -2.899 7.491 1.649 1.00 0.00 H new ATOM 0 HA ILE A 95 -3.157 6.195 -0.897 1.00 0.00 H new ATOM 0 HB ILE A 95 -5.181 7.130 1.192 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -3.903 4.411 0.636 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -3.402 5.490 1.922 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.699 5.521 0.122 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.219 6.799 -1.020 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.475 5.186 -1.126 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -4.995 3.789 2.776 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.701 5.418 2.896 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.209 4.322 1.589 1.00 0.00 H new ATOM 1556 N THR A 96 -4.177 9.283 -0.740 1.00 0.00 N ATOM 1557 CA THR A 96 -4.658 10.383 -1.609 1.00 0.00 C ATOM 1558 C THR A 96 -3.838 10.395 -2.898 1.00 0.00 C ATOM 1559 O THR A 96 -4.364 10.560 -3.981 1.00 0.00 O ATOM 1560 CB THR A 96 -4.486 11.710 -0.871 1.00 0.00 C ATOM 1561 OG1 THR A 96 -5.120 11.628 0.398 1.00 0.00 O ATOM 1562 CG2 THR A 96 -5.119 12.830 -1.686 1.00 0.00 C ATOM 0 H THR A 96 -3.915 9.557 0.207 1.00 0.00 H new ATOM 0 HA THR A 96 -5.710 10.238 -1.853 1.00 0.00 H new ATOM 0 HB THR A 96 -3.425 11.918 -0.735 1.00 0.00 H new ATOM 0 HG1 THR A 96 -4.617 11.017 0.976 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.997 13.777 -1.160 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.633 12.891 -2.660 1.00 0.00 H new ATOM 0 HG23 THR A 96 -6.181 12.625 -1.822 1.00 0.00 H new ATOM 1570 N TYR A 97 -2.551 10.212 -2.790 1.00 0.00 N ATOM 1571 CA TYR A 97 -1.692 10.199 -4.005 1.00 0.00 C ATOM 1572 C TYR A 97 -1.890 8.884 -4.764 1.00 0.00 C ATOM 1573 O TYR A 97 -2.034 8.867 -5.971 1.00 0.00 O ATOM 1574 CB TYR A 97 -0.228 10.345 -3.588 1.00 0.00 C ATOM 1575 CG TYR A 97 0.660 10.186 -4.796 1.00 0.00 C ATOM 1576 CD1 TYR A 97 0.826 11.246 -5.694 1.00 0.00 C ATOM 1577 CD2 TYR A 97 1.314 8.971 -5.016 1.00 0.00 C ATOM 1578 CE1 TYR A 97 1.652 11.088 -6.815 1.00 0.00 C ATOM 1579 CE2 TYR A 97 2.136 8.811 -6.135 1.00 0.00 C ATOM 1580 CZ TYR A 97 2.306 9.869 -7.036 1.00 0.00 C ATOM 1581 OH TYR A 97 3.118 9.711 -8.140 1.00 0.00 O ATOM 0 H TYR A 97 -2.057 10.071 -1.909 1.00 0.00 H new ATOM 0 HA TYR A 97 -1.967 11.028 -4.657 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -0.065 11.321 -3.130 1.00 0.00 H new ATOM 0 HB3 TYR A 97 0.024 9.595 -2.838 1.00 0.00 H new ATOM 0 HD1 TYR A 97 0.319 12.184 -5.524 1.00 0.00 H new ATOM 0 HD2 TYR A 97 1.184 8.155 -4.321 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.784 11.906 -7.508 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.640 7.871 -6.305 1.00 0.00 H new ATOM 0 HH TYR A 97 3.495 8.806 -8.142 1.00 0.00 H new ATOM 1591 N LEU A 98 -1.893 7.783 -4.065 1.00 0.00 N ATOM 1592 CA LEU A 98 -2.076 6.466 -4.743 1.00 0.00 C ATOM 1593 C LEU A 98 -3.434 6.433 -5.445 1.00 0.00 C ATOM 1594 O LEU A 98 -3.549 6.011 -6.579 1.00 0.00 O ATOM 1595 CB LEU A 98 -2.030 5.355 -3.695 1.00 0.00 C ATOM 1596 CG LEU A 98 -0.703 5.417 -2.935 1.00 0.00 C ATOM 1597 CD1 LEU A 98 -0.721 4.408 -1.786 1.00 0.00 C ATOM 1598 CD2 LEU A 98 0.443 5.074 -3.883 1.00 0.00 C ATOM 0 H LEU A 98 -1.777 7.737 -3.053 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.283 6.322 -5.477 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.863 5.462 -3.000 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.139 4.383 -4.176 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.564 6.422 -2.537 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.225 4.454 -1.246 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.539 4.646 -1.106 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.862 3.404 -2.186 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.388 5.118 -3.342 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.299 4.069 -4.280 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.462 5.790 -4.705 1.00 0.00 H new ATOM 1610 N LYS A 99 -4.460 6.879 -4.778 1.00 0.00 N ATOM 1611 CA LYS A 99 -5.812 6.880 -5.401 1.00 0.00 C ATOM 1612 C LYS A 99 -5.799 7.770 -6.644 1.00 0.00 C ATOM 1613 O LYS A 99 -6.404 7.459 -7.650 1.00 0.00 O ATOM 1614 CB LYS A 99 -6.831 7.407 -4.391 1.00 0.00 C ATOM 1615 CG LYS A 99 -8.232 7.388 -5.009 1.00 0.00 C ATOM 1616 CD LYS A 99 -9.225 8.034 -4.041 1.00 0.00 C ATOM 1617 CE LYS A 99 -10.651 7.823 -4.554 1.00 0.00 C ATOM 1618 NZ LYS A 99 -10.857 8.623 -5.793 1.00 0.00 N ATOM 0 H LYS A 99 -4.421 7.244 -3.826 1.00 0.00 H new ATOM 0 HA LYS A 99 -6.086 5.866 -5.692 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.813 6.795 -3.489 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.569 8.422 -4.092 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -8.230 7.925 -5.957 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.532 6.363 -5.224 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.117 7.598 -3.048 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -9.016 9.099 -3.946 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -10.823 6.766 -4.758 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.371 8.121 -3.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -11.584 9.346 -5.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -9.965 9.086 -6.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -11.166 7.996 -6.563 1.00 0.00 H new ATOM 1632 N LYS A 100 -5.111 8.877 -6.581 1.00 0.00 N ATOM 1633 CA LYS A 100 -5.054 9.789 -7.758 1.00 0.00 C ATOM 1634 C LYS A 100 -4.465 9.037 -8.946 1.00 0.00 C ATOM 1635 O LYS A 100 -4.938 9.132 -10.061 1.00 0.00 O ATOM 1636 CB LYS A 100 -4.155 10.978 -7.428 1.00 0.00 C ATOM 1637 CG LYS A 100 -4.294 12.045 -8.516 1.00 0.00 C ATOM 1638 CD LYS A 100 -3.347 13.208 -8.215 1.00 0.00 C ATOM 1639 CE LYS A 100 -3.600 14.342 -9.211 1.00 0.00 C ATOM 1640 NZ LYS A 100 -3.849 13.768 -10.564 1.00 0.00 N ATOM 0 H LYS A 100 -4.585 9.189 -5.765 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.057 10.139 -8.001 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.428 11.395 -6.459 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.117 10.653 -7.354 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.063 11.617 -9.491 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.323 12.402 -8.560 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.502 13.563 -7.196 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -2.311 12.875 -8.282 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -4.457 14.936 -8.893 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -2.741 15.013 -9.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -3.702 14.503 -11.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -3.191 12.980 -10.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -4.827 13.420 -10.619 1.00 0.00 H new ATOM 1654 N ALA A 101 -3.433 8.283 -8.705 1.00 0.00 N ATOM 1655 CA ALA A 101 -2.798 7.507 -9.806 1.00 0.00 C ATOM 1656 C ALA A 101 -3.759 6.410 -10.246 1.00 0.00 C ATOM 1657 O ALA A 101 -4.055 6.256 -11.415 1.00 0.00 O ATOM 1658 CB ALA A 101 -1.495 6.879 -9.306 1.00 0.00 C ATOM 0 H ALA A 101 -2.999 8.169 -7.789 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.576 8.165 -10.646 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -1.032 6.311 -10.113 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -0.815 7.665 -8.978 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.709 6.213 -8.470 1.00 0.00 H new ATOM 1664 N THR A 102 -4.268 5.658 -9.312 1.00 0.00 N ATOM 1665 CA THR A 102 -5.232 4.585 -9.664 1.00 0.00 C ATOM 1666 C THR A 102 -6.467 5.238 -10.281 1.00 0.00 C ATOM 1667 O THR A 102 -7.129 4.672 -11.127 1.00 0.00 O ATOM 1668 CB THR A 102 -5.630 3.814 -8.403 1.00 0.00 C ATOM 1669 OG1 THR A 102 -4.460 3.351 -7.745 1.00 0.00 O ATOM 1670 CG2 THR A 102 -6.508 2.621 -8.785 1.00 0.00 C ATOM 0 H THR A 102 -4.056 5.742 -8.318 1.00 0.00 H new ATOM 0 HA THR A 102 -4.781 3.889 -10.371 1.00 0.00 H new ATOM 0 HB THR A 102 -6.187 4.472 -7.736 1.00 0.00 H new ATOM 0 HG1 THR A 102 -4.061 4.085 -7.232 1.00 0.00 H new ATOM 0 HG21 THR A 102 -6.790 2.074 -7.885 1.00 0.00 H new ATOM 0 HG22 THR A 102 -7.406 2.977 -9.290 1.00 0.00 H new ATOM 0 HG23 THR A 102 -5.954 1.961 -9.453 1.00 0.00 H new ATOM 1678 N GLU A 103 -6.778 6.433 -9.854 1.00 0.00 N ATOM 1679 CA GLU A 103 -7.969 7.134 -10.408 1.00 0.00 C ATOM 1680 C GLU A 103 -7.569 7.899 -11.672 1.00 0.00 C ATOM 1681 O GLU A 103 -7.463 9.109 -11.670 1.00 0.00 O ATOM 1682 CB GLU A 103 -8.512 8.117 -9.368 1.00 0.00 C ATOM 1683 CG GLU A 103 -9.814 8.735 -9.881 1.00 0.00 C ATOM 1684 CD GLU A 103 -10.304 9.790 -8.887 1.00 0.00 C ATOM 1685 OE1 GLU A 103 -9.625 10.004 -7.896 1.00 0.00 O ATOM 1686 OE2 GLU A 103 -11.350 10.368 -9.134 1.00 0.00 O ATOM 0 H GLU A 103 -6.258 6.952 -9.146 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.739 6.403 -10.654 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -8.689 7.603 -8.423 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.778 8.899 -9.173 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -9.653 9.188 -10.859 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -10.571 7.961 -10.009 1.00 0.00 H new TER 1693 GLU A 103 HETATM 1694 FE HEC A 104 4.956 -2.607 1.927 1.00 0.00 FE HETATM 1695 CHA HEC A 104 3.062 -5.358 1.370 1.00 0.00 C HETATM 1696 CHB HEC A 104 2.240 -0.642 1.474 1.00 0.00 C HETATM 1697 CHC HEC A 104 6.843 0.147 2.497 1.00 0.00 C HETATM 1698 CHD HEC A 104 7.692 -4.562 2.282 1.00 0.00 C HETATM 1699 NA HEC A 104 3.062 -2.929 1.520 1.00 0.00 N HETATM 1700 C1A HEC A 104 2.425 -4.140 1.318 1.00 0.00 C HETATM 1701 C2A HEC A 104 1.003 -3.954 1.073 1.00 0.00 C HETATM 1702 C3A HEC A 104 0.795 -2.618 1.066 1.00 0.00 C HETATM 1703 C4A HEC A 104 2.057 -1.997 1.376 1.00 0.00 C HETATM 1704 CMA HEC A 104 -0.474 -1.924 0.697 1.00 0.00 C HETATM 1705 CAA HEC A 104 -0.071 -4.999 1.064 1.00 0.00 C HETATM 1706 CBA HEC A 104 -0.980 -4.886 -0.163 1.00 0.00 C HETATM 1707 CGA HEC A 104 -0.914 -6.183 -0.972 1.00 0.00 C HETATM 1708 O1A HEC A 104 -0.031 -6.292 -1.807 1.00 0.00 O HETATM 1709 O2A HEC A 104 -1.750 -7.042 -0.745 1.00 0.00 O HETATM 1710 NB HEC A 104 4.617 -0.675 1.970 1.00 0.00 N HETATM 1711 C1B HEC A 104 3.429 -0.020 1.744 1.00 0.00 C HETATM 1712 C2B HEC A 104 3.568 1.405 1.881 1.00 0.00 C HETATM 1713 C3B HEC A 104 4.871 1.648 2.134 1.00 0.00 C HETATM 1714 C4B HEC A 104 5.511 0.348 2.232 1.00 0.00 C HETATM 1715 CMB HEC A 104 2.459 2.388 1.966 1.00 0.00 C HETATM 1716 CAB HEC A 104 5.517 3.001 2.169 1.00 0.00 C HETATM 1717 CBB HEC A 104 4.991 3.870 3.312 1.00 0.00 C HETATM 1718 NC HEC A 104 6.843 -2.280 2.324 1.00 0.00 N HETATM 1719 C1C HEC A 104 7.466 -1.069 2.535 1.00 0.00 C HETATM 1720 C2C HEC A 104 8.866 -1.230 2.798 1.00 0.00 C HETATM 1721 C3C HEC A 104 9.134 -2.545 2.668 1.00 0.00 C HETATM 1722 C4C HEC A 104 7.863 -3.201 2.428 1.00 0.00 C HETATM 1723 CMC HEC A 104 9.782 -0.186 3.337 1.00 0.00 C HETATM 1724 CAC HEC A 104 10.490 -3.141 2.543 1.00 0.00 C HETATM 1725 CBC HEC A 104 11.238 -3.227 3.874 1.00 0.00 C HETATM 1726 ND HEC A 104 5.298 -4.532 1.858 1.00 0.00 N HETATM 1727 C1D HEC A 104 6.499 -5.184 2.013 1.00 0.00 C HETATM 1728 C2D HEC A 104 6.347 -6.614 1.896 1.00 0.00 C HETATM 1729 C3D HEC A 104 5.044 -6.836 1.601 1.00 0.00 C HETATM 1730 C4D HEC A 104 4.398 -5.547 1.620 1.00 0.00 C HETATM 1731 CMD HEC A 104 7.360 -7.639 2.268 1.00 0.00 C HETATM 1732 CAD HEC A 104 4.420 -8.135 1.204 1.00 0.00 C HETATM 1733 CBD HEC A 104 3.752 -8.836 2.386 1.00 0.00 C HETATM 1734 CGD HEC A 104 2.669 -9.776 1.866 1.00 0.00 C HETATM 1735 O1D HEC A 104 2.944 -10.500 0.922 1.00 0.00 O HETATM 1736 O2D HEC A 104 1.581 -9.760 2.418 1.00 0.00 O HETATM 0 HMD3 HEC A 104 8.265 -7.486 1.681 1.00 0.00 H new HETATM 0 HMD2 HEC A 104 7.596 -7.549 3.328 1.00 0.00 H new HETATM 0 HMD1 HEC A 104 6.962 -8.634 2.068 1.00 0.00 H new HETATM 0 HMC3 HEC A 104 9.801 0.667 2.658 1.00 0.00 H new HETATM 0 HMC2 HEC A 104 9.429 0.137 4.316 1.00 0.00 H new HETATM 0 HMC1 HEC A 104 10.787 -0.597 3.431 1.00 0.00 H new HETATM 0 HMB3 HEC A 104 1.853 2.332 1.062 1.00 0.00 H new HETATM 0 HMB2 HEC A 104 1.839 2.163 2.834 1.00 0.00 H new HETATM 0 HMB1 HEC A 104 2.870 3.393 2.065 1.00 0.00 H new HETATM 0 HMA3 HEC A 104 -0.739 -2.172 -0.331 1.00 0.00 H new HETATM 0 HMA2 HEC A 104 -1.273 -2.246 1.365 1.00 0.00 H new HETATM 0 HMA1 HEC A 104 -0.339 -0.846 0.787 1.00 0.00 H new HETATM 0 HBD2 HEC A 104 4.492 -9.396 2.958 1.00 0.00 H new HETATM 0 HBD1 HEC A 104 3.317 -8.100 3.062 1.00 0.00 H new HETATM 0 HBC3 HEC A 104 11.357 -2.227 4.290 1.00 0.00 H new HETATM 0 HBC2 HEC A 104 10.671 -3.845 4.571 1.00 0.00 H new HETATM 0 HBC1 HEC A 104 12.220 -3.671 3.711 1.00 0.00 H new HETATM 0 HBB3 HEC A 104 3.917 4.014 3.195 1.00 0.00 H new HETATM 0 HBB2 HEC A 104 5.190 3.378 4.264 1.00 0.00 H new HETATM 0 HBB1 HEC A 104 5.491 4.838 3.292 1.00 0.00 H new HETATM 0 HBA2 HEC A 104 -2.006 -4.692 0.149 1.00 0.00 H new HETATM 0 HBA1 HEC A 104 -0.670 -4.044 -0.781 1.00 0.00 H new HETATM 0 HAD2 HEC A 104 3.681 -7.958 0.423 1.00 0.00 H new HETATM 0 HAD1 HEC A 104 5.182 -8.788 0.779 1.00 0.00 H new HETATM 0 HAA2 HEC A 104 0.387 -5.988 1.085 1.00 0.00 H new HETATM 0 HAA1 HEC A 104 -0.672 -4.907 1.969 1.00 0.00 H new HETATM 0 HHD HEC A 104 8.574 -5.193 2.389 1.00 0.00 H new HETATM 0 HHC HEC A 104 7.453 1.029 2.693 1.00 0.00 H new HETATM 0 HHB HEC A 104 1.366 -0.007 1.325 1.00 0.00 H new HETATM 0 HHA HEC A 104 2.455 -6.247 1.198 1.00 0.00 H new