USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 799 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 81 LYS NZ :NH3+ -171:sc= 0.096 (180deg=0) USER MOD Set 1.2: A 83 THR OG1 : rot 180:sc= 0.0942 USER MOD Set 2.1: A 58 HIS : no HE2:sc= 0.295 K(o=0.61,f=-7!) USER MOD Set 2.2: A 82 ASN : amide:sc= 0.312 K(o=0.61,f=-0.43) USER MOD Set 3.1: A 10 SER OG : rot 180:sc=-0.00257 USER MOD Set 3.2: A 12 ASN : amide:sc= -0.851 K(o=-0.85,f=-2.1) USER MOD Set 4.1: A 9 LYS NZ :NH3+ 166:sc= 1.6 (180deg=0.551) USER MOD Set 4.2: A 114 SER OG : rot -150:sc= 0.61 USER MOD Single : A 4 LYS NZ :NH3+ 161:sc= 2.49 (180deg=1.83) USER MOD Single : A 5 TYR OH : rot -97:sc= 0.122 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.549 X(o=-0.55,f=-0.11) USER MOD Single : A 21 GLN : amide:sc= -0.0123 X(o=-0.012,f=-0.029) USER MOD Single : A 25 HIS : no HE2:sc= 0.921 K(o=0.92,f=-2.8!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 26:sc= 0.339 USER MOD Single : A 55 GLN : amide:sc= 0.257 K(o=0.26,f=-0.51) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot -144:sc= 1.22 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot -44:sc= 0.161 USER MOD Single : A 73 THR OG1 : rot -47:sc= 1.41 USER MOD Single : A 74 ASN : amide:sc= -0.0283 X(o=-0.028,f=-0.028) USER MOD Single : A 77 HIS : no HD1:sc= -0.0047 X(o=-0.0047,f=-0.0047) USER MOD Single : A 79 LYS NZ :NH3+ -128:sc= 0.219 (180deg=-0.0156) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot -113:sc= 0.844 USER MOD Single : A 93 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.018) USER MOD Single : A 97 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.016) USER MOD Single : A 102 SER OG : rot 124:sc= 1.22 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -2.31! X(o=-2.3!,f=-2.7) USER MOD Single : A 107 THR OG1 : rot 178:sc= 0.857 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 119 THR OG1 : rot 45:sc= 0.241 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 27 N PRO A 2 16.528 -7.179 15.600 1.00 0.00 N ATOM 28 CA PRO A 2 16.274 -8.370 14.771 1.00 0.00 C ATOM 29 C PRO A 2 17.286 -8.548 13.625 1.00 0.00 C ATOM 30 O PRO A 2 17.870 -9.622 13.465 1.00 0.00 O ATOM 31 CB PRO A 2 14.839 -8.202 14.249 1.00 0.00 C ATOM 32 CG PRO A 2 14.617 -6.689 14.234 1.00 0.00 C ATOM 33 CD PRO A 2 15.462 -6.189 15.407 1.00 0.00 C ATOM 0 HA PRO A 2 16.392 -9.278 15.362 1.00 0.00 H new ATOM 0 HB2 PRO A 2 14.725 -8.631 13.253 1.00 0.00 H new ATOM 0 HB3 PRO A 2 14.119 -8.703 14.896 1.00 0.00 H new ATOM 0 HG2 PRO A 2 14.938 -6.246 13.291 1.00 0.00 H new ATOM 0 HG3 PRO A 2 13.564 -6.437 14.362 1.00 0.00 H new ATOM 0 HD2 PRO A 2 15.880 -5.205 15.193 1.00 0.00 H new ATOM 0 HD3 PRO A 2 14.856 -6.090 16.308 1.00 0.00 H new ATOM 41 N CYS A 3 17.491 -7.492 12.835 1.00 0.00 N ATOM 42 CA CYS A 3 18.392 -7.395 11.680 1.00 0.00 C ATOM 43 C CYS A 3 19.124 -6.039 11.720 1.00 0.00 C ATOM 44 O CYS A 3 19.085 -5.356 12.746 1.00 0.00 O ATOM 45 CB CYS A 3 17.568 -7.591 10.393 1.00 0.00 C ATOM 46 SG CYS A 3 16.789 -9.227 10.241 1.00 0.00 S ATOM 0 H CYS A 3 16.995 -6.615 12.996 1.00 0.00 H new ATOM 0 HA CYS A 3 19.155 -8.173 11.706 1.00 0.00 H new ATOM 0 HB2 CYS A 3 16.791 -6.827 10.354 1.00 0.00 H new ATOM 0 HB3 CYS A 3 18.217 -7.430 9.532 1.00 0.00 H new ATOM 51 N LYS A 4 19.800 -5.623 10.642 1.00 0.00 N ATOM 52 CA LYS A 4 20.313 -4.259 10.450 1.00 0.00 C ATOM 53 C LYS A 4 19.711 -3.651 9.179 1.00 0.00 C ATOM 54 O LYS A 4 19.388 -4.366 8.226 1.00 0.00 O ATOM 55 CB LYS A 4 21.849 -4.297 10.384 1.00 0.00 C ATOM 56 CG LYS A 4 22.547 -4.750 11.678 1.00 0.00 C ATOM 57 CD LYS A 4 22.873 -3.617 12.667 1.00 0.00 C ATOM 58 CE LYS A 4 21.671 -3.047 13.439 1.00 0.00 C ATOM 59 NZ LYS A 4 20.990 -4.071 14.274 1.00 0.00 N ATOM 0 H LYS A 4 20.011 -6.241 9.858 1.00 0.00 H new ATOM 0 HA LYS A 4 20.022 -3.629 11.291 1.00 0.00 H new ATOM 0 HB2 LYS A 4 22.146 -4.966 9.576 1.00 0.00 H new ATOM 0 HB3 LYS A 4 22.211 -3.302 10.124 1.00 0.00 H new ATOM 0 HG2 LYS A 4 21.912 -5.480 12.180 1.00 0.00 H new ATOM 0 HG3 LYS A 4 23.473 -5.261 11.415 1.00 0.00 H new ATOM 0 HD2 LYS A 4 23.604 -3.986 13.387 1.00 0.00 H new ATOM 0 HD3 LYS A 4 23.349 -2.804 12.118 1.00 0.00 H new ATOM 0 HE2 LYS A 4 22.008 -2.229 14.076 1.00 0.00 H new ATOM 0 HE3 LYS A 4 20.956 -2.626 12.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 20.415 -3.600 15.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 20.376 -4.657 13.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 21.702 -4.674 14.733 1.00 0.00 H new ATOM 73 N TYR A 5 19.548 -2.330 9.193 1.00 0.00 N ATOM 74 CA TYR A 5 18.935 -1.530 8.132 1.00 0.00 C ATOM 75 C TYR A 5 19.669 -0.187 7.988 1.00 0.00 C ATOM 76 O TYR A 5 20.312 0.278 8.935 1.00 0.00 O ATOM 77 CB TYR A 5 17.451 -1.266 8.450 1.00 0.00 C ATOM 78 CG TYR A 5 16.588 -2.479 8.764 1.00 0.00 C ATOM 79 CD1 TYR A 5 16.580 -3.004 10.072 1.00 0.00 C ATOM 80 CD2 TYR A 5 15.752 -3.046 7.781 1.00 0.00 C ATOM 81 CE1 TYR A 5 15.748 -4.088 10.405 1.00 0.00 C ATOM 82 CE2 TYR A 5 14.887 -4.104 8.121 1.00 0.00 C ATOM 83 CZ TYR A 5 14.896 -4.639 9.427 1.00 0.00 C ATOM 84 OH TYR A 5 14.091 -5.689 9.736 1.00 0.00 O ATOM 0 H TYR A 5 19.854 -1.760 9.982 1.00 0.00 H new ATOM 0 HA TYR A 5 19.010 -2.086 7.197 1.00 0.00 H new ATOM 0 HB2 TYR A 5 17.402 -0.586 9.300 1.00 0.00 H new ATOM 0 HB3 TYR A 5 17.009 -0.746 7.600 1.00 0.00 H new ATOM 0 HD1 TYR A 5 17.219 -2.569 10.826 1.00 0.00 H new ATOM 0 HD2 TYR A 5 15.775 -2.670 6.769 1.00 0.00 H new ATOM 0 HE1 TYR A 5 15.762 -4.496 11.405 1.00 0.00 H new ATOM 0 HE2 TYR A 5 14.214 -4.508 7.379 1.00 0.00 H new ATOM 0 HH TYR A 5 14.521 -6.524 9.457 1.00 0.00 H new ATOM 94 N LYS A 6 19.537 0.468 6.828 1.00 0.00 N ATOM 95 CA LYS A 6 20.106 1.801 6.552 1.00 0.00 C ATOM 96 C LYS A 6 19.083 2.934 6.703 1.00 0.00 C ATOM 97 O LYS A 6 17.872 2.722 6.620 1.00 0.00 O ATOM 98 CB LYS A 6 20.815 1.791 5.188 1.00 0.00 C ATOM 99 CG LYS A 6 19.879 1.658 3.972 1.00 0.00 C ATOM 100 CD LYS A 6 20.360 0.580 2.986 1.00 0.00 C ATOM 101 CE LYS A 6 19.944 0.948 1.555 1.00 0.00 C ATOM 102 NZ LYS A 6 20.440 -0.047 0.565 1.00 0.00 N ATOM 0 H LYS A 6 19.022 0.082 6.037 1.00 0.00 H new ATOM 0 HA LYS A 6 20.855 2.018 7.314 1.00 0.00 H new ATOM 0 HB2 LYS A 6 21.390 2.712 5.087 1.00 0.00 H new ATOM 0 HB3 LYS A 6 21.528 0.967 5.171 1.00 0.00 H new ATOM 0 HG2 LYS A 6 18.874 1.413 4.314 1.00 0.00 H new ATOM 0 HG3 LYS A 6 19.816 2.617 3.457 1.00 0.00 H new ATOM 0 HD2 LYS A 6 21.444 0.482 3.044 1.00 0.00 H new ATOM 0 HD3 LYS A 6 19.937 -0.387 3.258 1.00 0.00 H new ATOM 0 HE2 LYS A 6 18.857 1.009 1.496 1.00 0.00 H new ATOM 0 HE3 LYS A 6 20.333 1.935 1.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 20.140 0.234 -0.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 21.478 -0.087 0.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 20.049 -0.984 0.789 1.00 0.00 H new ATOM 116 N LEU A 7 19.592 4.143 6.937 1.00 0.00 N ATOM 117 CA LEU A 7 18.821 5.327 7.334 1.00 0.00 C ATOM 118 C LEU A 7 18.263 6.062 6.104 1.00 0.00 C ATOM 119 O LEU A 7 18.992 6.762 5.397 1.00 0.00 O ATOM 120 CB LEU A 7 19.705 6.222 8.240 1.00 0.00 C ATOM 121 CG LEU A 7 18.964 7.035 9.321 1.00 0.00 C ATOM 122 CD1 LEU A 7 17.797 7.861 8.780 1.00 0.00 C ATOM 123 CD2 LEU A 7 18.445 6.137 10.447 1.00 0.00 C ATOM 0 H LEU A 7 20.590 4.335 6.853 1.00 0.00 H new ATOM 0 HA LEU A 7 17.947 5.030 7.914 1.00 0.00 H new ATOM 0 HB2 LEU A 7 20.443 5.589 8.733 1.00 0.00 H new ATOM 0 HB3 LEU A 7 20.254 6.917 7.605 1.00 0.00 H new ATOM 0 HG LEU A 7 19.714 7.726 9.706 1.00 0.00 H new ATOM 0 HD11 LEU A 7 17.326 8.405 9.599 1.00 0.00 H new ATOM 0 HD12 LEU A 7 18.166 8.570 8.039 1.00 0.00 H new ATOM 0 HD13 LEU A 7 17.066 7.198 8.316 1.00 0.00 H new ATOM 0 HD21 LEU A 7 17.929 6.746 11.189 1.00 0.00 H new ATOM 0 HD22 LEU A 7 17.753 5.402 10.036 1.00 0.00 H new ATOM 0 HD23 LEU A 7 19.283 5.623 10.918 1.00 0.00 H new ATOM 135 N LYS A 8 16.962 5.886 5.847 1.00 0.00 N ATOM 136 CA LYS A 8 16.229 6.472 4.714 1.00 0.00 C ATOM 137 C LYS A 8 14.968 7.205 5.191 1.00 0.00 C ATOM 138 O LYS A 8 14.047 6.601 5.747 1.00 0.00 O ATOM 139 CB LYS A 8 15.953 5.359 3.687 1.00 0.00 C ATOM 140 CG LYS A 8 15.254 5.837 2.402 1.00 0.00 C ATOM 141 CD LYS A 8 16.134 6.727 1.514 1.00 0.00 C ATOM 142 CE LYS A 8 15.380 7.061 0.220 1.00 0.00 C ATOM 143 NZ LYS A 8 16.192 7.918 -0.684 1.00 0.00 N ATOM 0 H LYS A 8 16.367 5.311 6.443 1.00 0.00 H new ATOM 0 HA LYS A 8 16.828 7.238 4.221 1.00 0.00 H new ATOM 0 HB2 LYS A 8 16.898 4.888 3.418 1.00 0.00 H new ATOM 0 HB3 LYS A 8 15.337 4.592 4.157 1.00 0.00 H new ATOM 0 HG2 LYS A 8 14.936 4.967 1.827 1.00 0.00 H new ATOM 0 HG3 LYS A 8 14.353 6.387 2.673 1.00 0.00 H new ATOM 0 HD2 LYS A 8 16.394 7.644 2.043 1.00 0.00 H new ATOM 0 HD3 LYS A 8 17.069 6.217 1.282 1.00 0.00 H new ATOM 0 HE2 LYS A 8 15.114 6.138 -0.295 1.00 0.00 H new ATOM 0 HE3 LYS A 8 14.447 7.570 0.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 15.650 8.123 -1.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 16.424 8.809 -0.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 17.071 7.422 -0.936 1.00 0.00 H new ATOM 157 N LYS A 9 14.944 8.525 5.007 1.00 0.00 N ATOM 158 CA LYS A 9 13.816 9.426 5.320 1.00 0.00 C ATOM 159 C LYS A 9 13.505 10.345 4.132 1.00 0.00 C ATOM 160 O LYS A 9 14.407 10.723 3.381 1.00 0.00 O ATOM 161 CB LYS A 9 14.130 10.247 6.593 1.00 0.00 C ATOM 162 CG LYS A 9 14.470 9.403 7.837 1.00 0.00 C ATOM 163 CD LYS A 9 13.272 8.619 8.402 1.00 0.00 C ATOM 164 CE LYS A 9 13.742 7.400 9.211 1.00 0.00 C ATOM 165 NZ LYS A 9 13.327 6.119 8.580 1.00 0.00 N ATOM 0 H LYS A 9 15.743 9.026 4.618 1.00 0.00 H new ATOM 0 HA LYS A 9 12.929 8.822 5.510 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.967 10.912 6.382 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.271 10.878 6.823 1.00 0.00 H new ATOM 0 HG2 LYS A 9 15.264 8.701 7.582 1.00 0.00 H new ATOM 0 HG3 LYS A 9 14.862 10.059 8.614 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.673 9.272 9.037 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.629 8.291 7.585 1.00 0.00 H new ATOM 0 HE2 LYS A 9 14.828 7.423 9.304 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.334 7.456 10.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.853 5.333 9.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.307 5.975 8.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.530 6.153 7.560 1.00 0.00 H new ATOM 179 N SER A 10 12.232 10.698 3.966 1.00 0.00 N ATOM 180 CA SER A 10 11.710 11.561 2.895 1.00 0.00 C ATOM 181 C SER A 10 10.457 12.320 3.361 1.00 0.00 C ATOM 182 O SER A 10 9.893 12.016 4.415 1.00 0.00 O ATOM 183 CB SER A 10 11.387 10.686 1.673 1.00 0.00 C ATOM 184 OG SER A 10 11.075 11.478 0.538 1.00 0.00 O ATOM 0 H SER A 10 11.499 10.379 4.600 1.00 0.00 H new ATOM 0 HA SER A 10 12.462 12.304 2.630 1.00 0.00 H new ATOM 0 HB2 SER A 10 12.239 10.044 1.448 1.00 0.00 H new ATOM 0 HB3 SER A 10 10.547 10.031 1.904 1.00 0.00 H new ATOM 0 HG SER A 10 10.876 10.894 -0.223 1.00 0.00 H new ATOM 190 N THR A 11 9.984 13.290 2.570 1.00 0.00 N ATOM 191 CA THR A 11 8.725 14.003 2.823 1.00 0.00 C ATOM 192 C THR A 11 7.960 14.234 1.517 1.00 0.00 C ATOM 193 O THR A 11 8.318 15.119 0.741 1.00 0.00 O ATOM 194 CB THR A 11 8.927 15.337 3.563 1.00 0.00 C ATOM 195 OG1 THR A 11 9.867 15.251 4.616 1.00 0.00 O ATOM 196 CG2 THR A 11 7.598 15.737 4.198 1.00 0.00 C ATOM 0 H THR A 11 10.468 13.605 1.729 1.00 0.00 H new ATOM 0 HA THR A 11 8.136 13.362 3.479 1.00 0.00 H new ATOM 0 HB THR A 11 9.291 16.056 2.829 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.955 16.126 5.048 1.00 0.00 H new ATOM 0 HG21 THR A 11 7.718 16.681 4.729 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.843 15.851 3.420 1.00 0.00 H new ATOM 0 HG23 THR A 11 7.283 14.964 4.899 1.00 0.00 H new ATOM 204 N ASN A 12 6.939 13.412 1.243 1.00 0.00 N ATOM 205 CA ASN A 12 6.123 13.463 0.017 1.00 0.00 C ATOM 206 C ASN A 12 4.792 12.681 0.128 1.00 0.00 C ATOM 207 O ASN A 12 4.501 12.084 1.164 1.00 0.00 O ATOM 208 CB ASN A 12 6.963 13.044 -1.214 1.00 0.00 C ATOM 209 CG ASN A 12 7.292 11.573 -1.378 1.00 0.00 C ATOM 210 OD1 ASN A 12 7.123 11.021 -2.448 1.00 0.00 O ATOM 211 ND2 ASN A 12 7.840 10.907 -0.392 1.00 0.00 N ATOM 0 H ASN A 12 6.648 12.673 1.883 1.00 0.00 H new ATOM 0 HA ASN A 12 5.820 14.501 -0.122 1.00 0.00 H new ATOM 0 HB2 ASN A 12 6.432 13.370 -2.108 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.902 13.596 -1.182 1.00 0.00 H new ATOM 0 HD21 ASN A 12 8.120 9.935 -0.526 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.987 11.360 0.510 1.00 0.00 H new ATOM 218 N LYS A 13 3.964 12.736 -0.923 1.00 0.00 N ATOM 219 CA LYS A 13 2.723 11.956 -1.134 1.00 0.00 C ATOM 220 C LYS A 13 2.961 10.442 -1.259 1.00 0.00 C ATOM 221 O LYS A 13 4.089 9.978 -1.428 1.00 0.00 O ATOM 222 CB LYS A 13 1.971 12.491 -2.374 1.00 0.00 C ATOM 223 CG LYS A 13 2.831 12.823 -3.604 1.00 0.00 C ATOM 224 CD LYS A 13 2.971 14.345 -3.765 1.00 0.00 C ATOM 225 CE LYS A 13 4.010 14.759 -4.821 1.00 0.00 C ATOM 226 NZ LYS A 13 3.656 14.314 -6.197 1.00 0.00 N ATOM 0 H LYS A 13 4.149 13.366 -1.704 1.00 0.00 H new ATOM 0 HA LYS A 13 2.113 12.091 -0.241 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.226 11.751 -2.667 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.429 13.391 -2.083 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.817 12.370 -3.499 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.377 12.396 -4.499 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.002 14.764 -4.037 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.248 14.780 -2.805 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.115 15.844 -4.813 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.980 14.343 -4.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.393 14.623 -6.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.583 13.277 -6.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.744 14.731 -6.473 1.00 0.00 H new ATOM 240 N PHE A 14 1.875 9.673 -1.249 1.00 0.00 N ATOM 241 CA PHE A 14 1.851 8.208 -1.342 1.00 0.00 C ATOM 242 C PHE A 14 0.682 7.717 -2.209 1.00 0.00 C ATOM 243 O PHE A 14 -0.412 8.284 -2.191 1.00 0.00 O ATOM 244 CB PHE A 14 1.798 7.597 0.072 1.00 0.00 C ATOM 245 CG PHE A 14 0.729 8.181 0.985 1.00 0.00 C ATOM 246 CD1 PHE A 14 -0.614 7.769 0.877 1.00 0.00 C ATOM 247 CD2 PHE A 14 1.075 9.171 1.926 1.00 0.00 C ATOM 248 CE1 PHE A 14 -1.611 8.383 1.660 1.00 0.00 C ATOM 249 CE2 PHE A 14 0.080 9.766 2.722 1.00 0.00 C ATOM 250 CZ PHE A 14 -1.266 9.403 2.563 1.00 0.00 C ATOM 0 H PHE A 14 0.939 10.071 -1.172 1.00 0.00 H new ATOM 0 HA PHE A 14 2.767 7.877 -1.831 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.631 6.524 -0.018 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.771 7.729 0.545 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.880 6.979 0.191 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.106 9.473 2.036 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.640 8.070 1.566 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.353 10.506 3.459 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.034 9.906 3.132 1.00 0.00 H new ATOM 260 N CYS A 15 0.914 6.665 -2.996 1.00 0.00 N ATOM 261 CA CYS A 15 -0.126 6.004 -3.788 1.00 0.00 C ATOM 262 C CYS A 15 -0.617 4.718 -3.107 1.00 0.00 C ATOM 263 O CYS A 15 0.160 3.947 -2.535 1.00 0.00 O ATOM 264 CB CYS A 15 0.365 5.723 -5.212 1.00 0.00 C ATOM 265 SG CYS A 15 -0.967 5.201 -6.333 1.00 0.00 S ATOM 0 H CYS A 15 1.837 6.244 -3.103 1.00 0.00 H new ATOM 0 HA CYS A 15 -0.975 6.684 -3.853 1.00 0.00 H new ATOM 0 HB2 CYS A 15 0.837 6.621 -5.611 1.00 0.00 H new ATOM 0 HB3 CYS A 15 1.130 4.947 -5.180 1.00 0.00 H new ATOM 270 N VAL A 16 -1.921 4.476 -3.226 1.00 0.00 N ATOM 271 CA VAL A 16 -2.664 3.339 -2.638 1.00 0.00 C ATOM 272 C VAL A 16 -3.832 2.909 -3.553 1.00 0.00 C ATOM 273 O VAL A 16 -4.033 3.506 -4.610 1.00 0.00 O ATOM 274 CB VAL A 16 -3.173 3.679 -1.216 1.00 0.00 C ATOM 275 CG1 VAL A 16 -2.073 3.811 -0.163 1.00 0.00 C ATOM 276 CG2 VAL A 16 -4.011 4.957 -1.178 1.00 0.00 C ATOM 0 H VAL A 16 -2.529 5.095 -3.762 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.974 2.499 -2.554 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.788 2.815 -0.964 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.520 4.050 0.802 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.527 2.871 -0.087 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.386 4.607 -0.452 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.341 5.146 -0.156 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.410 5.797 -1.526 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.881 4.841 -1.824 1.00 0.00 H new ATOM 286 N THR A 17 -4.630 1.911 -3.150 1.00 0.00 N ATOM 287 CA THR A 17 -5.820 1.422 -3.891 1.00 0.00 C ATOM 288 C THR A 17 -7.070 1.414 -3.005 1.00 0.00 C ATOM 289 O THR A 17 -7.100 0.692 -2.007 1.00 0.00 O ATOM 290 CB THR A 17 -5.597 0.000 -4.440 1.00 0.00 C ATOM 291 OG1 THR A 17 -4.326 -0.126 -5.041 1.00 0.00 O ATOM 292 CG2 THR A 17 -6.618 -0.393 -5.500 1.00 0.00 C ATOM 0 H THR A 17 -4.469 1.404 -2.280 1.00 0.00 H new ATOM 0 HA THR A 17 -5.970 2.112 -4.721 1.00 0.00 H new ATOM 0 HB THR A 17 -5.694 -0.653 -3.572 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.213 -1.039 -5.378 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.410 -1.404 -5.849 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.620 -0.356 -5.072 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.556 0.300 -6.339 1.00 0.00 H new ATOM 300 N CYS A 18 -8.105 2.199 -3.344 1.00 0.00 N ATOM 301 CA CYS A 18 -9.395 2.189 -2.647 1.00 0.00 C ATOM 302 C CYS A 18 -10.338 1.132 -3.219 1.00 0.00 C ATOM 303 O CYS A 18 -10.544 1.039 -4.428 1.00 0.00 O ATOM 304 CB CYS A 18 -10.075 3.566 -2.674 1.00 0.00 C ATOM 305 SG CYS A 18 -9.717 4.602 -1.240 1.00 0.00 S ATOM 0 H CYS A 18 -8.067 2.863 -4.117 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.179 1.936 -1.609 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -9.764 4.094 -3.575 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -11.153 3.424 -2.744 1.00 0.00 H new ATOM 310 N GLU A 19 -10.956 0.363 -2.329 1.00 0.00 N ATOM 311 CA GLU A 19 -11.946 -0.661 -2.644 1.00 0.00 C ATOM 312 C GLU A 19 -13.059 -0.602 -1.591 1.00 0.00 C ATOM 313 O GLU A 19 -12.820 -0.847 -0.410 1.00 0.00 O ATOM 314 CB GLU A 19 -11.255 -2.032 -2.710 1.00 0.00 C ATOM 315 CG GLU A 19 -12.146 -3.079 -3.388 1.00 0.00 C ATOM 316 CD GLU A 19 -11.444 -4.449 -3.461 1.00 0.00 C ATOM 317 OE1 GLU A 19 -10.425 -4.568 -4.184 1.00 0.00 O ATOM 318 OE2 GLU A 19 -11.921 -5.411 -2.815 1.00 0.00 O ATOM 0 H GLU A 19 -10.774 0.439 -1.328 1.00 0.00 H new ATOM 0 HA GLU A 19 -12.402 -0.489 -3.619 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.317 -1.942 -3.258 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.005 -2.363 -1.702 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -13.081 -3.176 -2.836 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.402 -2.745 -4.393 1.00 0.00 H new ATOM 325 N ASN A 20 -14.268 -0.221 -2.015 1.00 0.00 N ATOM 326 CA ASN A 20 -15.408 0.113 -1.149 1.00 0.00 C ATOM 327 C ASN A 20 -15.096 1.291 -0.188 1.00 0.00 C ATOM 328 O ASN A 20 -15.249 1.196 1.030 1.00 0.00 O ATOM 329 CB ASN A 20 -15.967 -1.155 -0.462 1.00 0.00 C ATOM 330 CG ASN A 20 -16.637 -2.132 -1.414 1.00 0.00 C ATOM 331 OD1 ASN A 20 -17.848 -2.300 -1.411 1.00 0.00 O ATOM 332 ND2 ASN A 20 -15.892 -2.812 -2.259 1.00 0.00 N ATOM 0 H ASN A 20 -14.490 -0.133 -3.007 1.00 0.00 H new ATOM 0 HA ASN A 20 -16.217 0.492 -1.773 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -15.153 -1.666 0.052 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -16.687 -0.855 0.300 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -16.326 -3.472 -2.904 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -14.881 -2.679 -2.269 1.00 0.00 H new ATOM 339 N GLN A 21 -14.702 2.433 -0.772 1.00 0.00 N ATOM 340 CA GLN A 21 -14.542 3.760 -0.142 1.00 0.00 C ATOM 341 C GLN A 21 -13.451 3.841 0.944 1.00 0.00 C ATOM 342 O GLN A 21 -13.512 4.686 1.842 1.00 0.00 O ATOM 343 CB GLN A 21 -15.894 4.300 0.370 1.00 0.00 C ATOM 344 CG GLN A 21 -17.013 4.306 -0.681 1.00 0.00 C ATOM 345 CD GLN A 21 -17.972 3.132 -0.537 1.00 0.00 C ATOM 346 OE1 GLN A 21 -18.597 2.903 0.490 1.00 0.00 O ATOM 347 NE2 GLN A 21 -18.158 2.359 -1.579 1.00 0.00 N ATOM 0 H GLN A 21 -14.470 2.459 -1.765 1.00 0.00 H new ATOM 0 HA GLN A 21 -14.180 4.408 -0.940 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -16.214 3.697 1.220 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -15.750 5.317 0.736 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -17.573 5.237 -0.601 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -16.569 4.285 -1.676 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -17.645 2.536 -2.443 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -18.815 1.581 -1.526 1.00 0.00 H new ATOM 356 N ALA A 22 -12.453 2.959 0.882 1.00 0.00 N ATOM 357 CA ALA A 22 -11.410 2.815 1.881 1.00 0.00 C ATOM 358 C ALA A 22 -10.178 2.132 1.250 1.00 0.00 C ATOM 359 O ALA A 22 -10.330 1.149 0.517 1.00 0.00 O ATOM 360 CB ALA A 22 -11.986 1.996 3.040 1.00 0.00 C ATOM 0 H ALA A 22 -12.351 2.306 0.105 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.083 3.784 2.257 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.225 1.870 3.810 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -12.846 2.517 3.462 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.298 1.018 2.674 1.00 0.00 H new ATOM 366 N PRO A 23 -8.964 2.662 1.466 1.00 0.00 N ATOM 367 CA PRO A 23 -7.735 2.109 0.916 1.00 0.00 C ATOM 368 C PRO A 23 -7.254 0.852 1.657 1.00 0.00 C ATOM 369 O PRO A 23 -6.786 0.910 2.791 1.00 0.00 O ATOM 370 CB PRO A 23 -6.750 3.271 0.920 1.00 0.00 C ATOM 371 CG PRO A 23 -7.191 4.100 2.120 1.00 0.00 C ATOM 372 CD PRO A 23 -8.705 3.940 2.108 1.00 0.00 C ATOM 0 HA PRO A 23 -7.870 1.728 -0.096 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -5.721 2.926 1.025 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -6.801 3.844 -0.006 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -6.753 3.732 3.048 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -6.895 5.144 2.020 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -9.108 3.957 3.121 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -9.180 4.755 1.562 1.00 0.00 H new ATOM 380 N VAL A 24 -7.370 -0.301 0.994 1.00 0.00 N ATOM 381 CA VAL A 24 -6.994 -1.640 1.483 1.00 0.00 C ATOM 382 C VAL A 24 -5.740 -2.191 0.785 1.00 0.00 C ATOM 383 O VAL A 24 -5.530 -3.400 0.785 1.00 0.00 O ATOM 384 CB VAL A 24 -8.186 -2.630 1.399 1.00 0.00 C ATOM 385 CG1 VAL A 24 -9.479 -2.035 1.969 1.00 0.00 C ATOM 386 CG2 VAL A 24 -8.529 -3.085 -0.023 1.00 0.00 C ATOM 0 H VAL A 24 -7.750 -0.333 0.048 1.00 0.00 H new ATOM 0 HA VAL A 24 -6.734 -1.530 2.536 1.00 0.00 H new ATOM 0 HB VAL A 24 -7.837 -3.480 1.985 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -10.283 -2.766 1.887 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -9.329 -1.776 3.017 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -9.745 -1.139 1.408 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -9.373 -3.775 0.009 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -8.792 -2.218 -0.629 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.667 -3.587 -0.462 1.00 0.00 H new ATOM 396 N HIS A 25 -4.918 -1.353 0.132 1.00 0.00 N ATOM 397 CA HIS A 25 -3.710 -1.798 -0.589 1.00 0.00 C ATOM 398 C HIS A 25 -2.705 -0.656 -0.721 1.00 0.00 C ATOM 399 O HIS A 25 -3.095 0.455 -1.083 1.00 0.00 O ATOM 400 CB HIS A 25 -4.107 -2.279 -1.998 1.00 0.00 C ATOM 401 CG HIS A 25 -3.299 -3.423 -2.553 1.00 0.00 C ATOM 402 ND1 HIS A 25 -2.056 -3.349 -3.161 1.00 0.00 N ATOM 403 CD2 HIS A 25 -3.767 -4.696 -2.697 1.00 0.00 C ATOM 404 CE1 HIS A 25 -1.784 -4.568 -3.671 1.00 0.00 C ATOM 405 NE2 HIS A 25 -2.805 -5.401 -3.392 1.00 0.00 N ATOM 0 H HIS A 25 -5.071 -0.346 0.088 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.250 -2.609 -0.025 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -5.156 -2.576 -1.978 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -4.028 -1.436 -2.685 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -1.457 -2.525 -3.213 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -4.710 -5.079 -2.336 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -0.890 -4.834 -4.216 1.00 0.00 H new ATOM 414 N PHE A 26 -1.418 -0.926 -0.507 1.00 0.00 N ATOM 415 CA PHE A 26 -0.349 0.015 -0.858 1.00 0.00 C ATOM 416 C PHE A 26 -0.024 -0.076 -2.360 1.00 0.00 C ATOM 417 O PHE A 26 -0.232 -1.128 -2.975 1.00 0.00 O ATOM 418 CB PHE A 26 0.882 -0.278 0.024 1.00 0.00 C ATOM 419 CG PHE A 26 2.052 0.682 -0.124 1.00 0.00 C ATOM 420 CD1 PHE A 26 1.861 2.075 -0.006 1.00 0.00 C ATOM 421 CD2 PHE A 26 3.352 0.179 -0.340 1.00 0.00 C ATOM 422 CE1 PHE A 26 2.948 2.956 -0.150 1.00 0.00 C ATOM 423 CE2 PHE A 26 4.436 1.059 -0.494 1.00 0.00 C ATOM 424 CZ PHE A 26 4.231 2.445 -0.410 1.00 0.00 C ATOM 0 H PHE A 26 -1.086 -1.795 -0.089 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.671 1.039 -0.669 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.566 -0.276 1.067 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.233 -1.285 -0.200 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.875 2.467 0.196 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.515 -0.888 -0.387 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.797 4.022 -0.061 1.00 0.00 H new ATOM 0 HE2 PHE A 26 5.427 0.669 -0.677 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.062 3.121 -0.546 1.00 0.00 H new ATOM 434 N VAL A 27 0.493 1.010 -2.945 1.00 0.00 N ATOM 435 CA VAL A 27 1.028 1.037 -4.324 1.00 0.00 C ATOM 436 C VAL A 27 2.464 1.574 -4.377 1.00 0.00 C ATOM 437 O VAL A 27 3.334 0.905 -4.937 1.00 0.00 O ATOM 438 CB VAL A 27 0.107 1.818 -5.284 1.00 0.00 C ATOM 439 CG1 VAL A 27 0.673 1.884 -6.707 1.00 0.00 C ATOM 440 CG2 VAL A 27 -1.291 1.206 -5.383 1.00 0.00 C ATOM 0 H VAL A 27 0.556 1.912 -2.472 1.00 0.00 H new ATOM 0 HA VAL A 27 1.056 0.002 -4.664 1.00 0.00 H new ATOM 0 HB VAL A 27 0.047 2.818 -4.855 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.011 2.444 -7.345 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.643 2.382 -6.690 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.790 0.874 -7.099 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.898 1.794 -6.071 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.215 0.183 -5.750 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.758 1.204 -4.398 1.00 0.00 H new ATOM 450 N GLY A 28 2.736 2.771 -3.839 1.00 0.00 N ATOM 451 CA GLY A 28 4.053 3.407 -3.958 1.00 0.00 C ATOM 452 C GLY A 28 4.171 4.767 -3.265 1.00 0.00 C ATOM 453 O GLY A 28 3.272 5.199 -2.544 1.00 0.00 O ATOM 0 H GLY A 28 2.056 3.320 -3.314 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.804 2.736 -3.542 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.287 3.532 -5.015 1.00 0.00 H new ATOM 457 N VAL A 29 5.296 5.448 -3.483 1.00 0.00 N ATOM 458 CA VAL A 29 5.650 6.738 -2.858 1.00 0.00 C ATOM 459 C VAL A 29 5.992 7.767 -3.939 1.00 0.00 C ATOM 460 O VAL A 29 6.775 7.472 -4.843 1.00 0.00 O ATOM 461 CB VAL A 29 6.825 6.596 -1.866 1.00 0.00 C ATOM 462 CG1 VAL A 29 6.833 7.791 -0.920 1.00 0.00 C ATOM 463 CG2 VAL A 29 6.740 5.343 -0.994 1.00 0.00 C ATOM 0 H VAL A 29 6.017 5.111 -4.121 1.00 0.00 H new ATOM 0 HA VAL A 29 4.784 7.080 -2.291 1.00 0.00 H new ATOM 0 HB VAL A 29 7.726 6.533 -2.476 1.00 0.00 H new ATOM 0 HG11 VAL A 29 7.661 7.694 -0.218 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.950 8.710 -1.495 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.893 7.825 -0.369 1.00 0.00 H new ATOM 0 HG21 VAL A 29 7.597 5.309 -0.322 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.821 5.369 -0.409 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.741 4.457 -1.629 1.00 0.00 H new ATOM 473 N GLY A 30 5.379 8.955 -3.885 1.00 0.00 N ATOM 474 CA GLY A 30 5.585 10.040 -4.860 1.00 0.00 C ATOM 475 C GLY A 30 5.060 9.796 -6.286 1.00 0.00 C ATOM 476 O GLY A 30 5.113 10.707 -7.113 1.00 0.00 O ATOM 0 H GLY A 30 4.714 9.197 -3.151 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.110 10.941 -4.472 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.654 10.244 -4.921 1.00 0.00 H new ATOM 480 N SER A 31 4.546 8.592 -6.555 1.00 0.00 N ATOM 481 CA SER A 31 4.116 8.024 -7.840 1.00 0.00 C ATOM 482 C SER A 31 3.207 6.809 -7.596 1.00 0.00 C ATOM 483 O SER A 31 3.236 6.214 -6.515 1.00 0.00 O ATOM 484 CB SER A 31 5.332 7.530 -8.647 1.00 0.00 C ATOM 485 OG SER A 31 6.136 8.601 -9.114 1.00 0.00 O ATOM 0 H SER A 31 4.406 7.920 -5.801 1.00 0.00 H new ATOM 0 HA SER A 31 3.588 8.804 -8.389 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.935 6.870 -8.024 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.987 6.940 -9.496 1.00 0.00 H new ATOM 0 HG SER A 31 6.896 8.243 -9.619 1.00 0.00 H new ATOM 491 N CYS A 32 2.455 6.389 -8.616 1.00 0.00 N ATOM 492 CA CYS A 32 1.736 5.115 -8.666 1.00 0.00 C ATOM 493 C CYS A 32 2.449 4.153 -9.630 1.00 0.00 C ATOM 494 O CYS A 32 2.599 4.454 -10.818 1.00 0.00 O ATOM 495 CB CYS A 32 0.292 5.355 -9.122 1.00 0.00 C ATOM 496 SG CYS A 32 -0.748 6.335 -8.011 1.00 0.00 S ATOM 0 H CYS A 32 2.326 6.947 -9.460 1.00 0.00 H new ATOM 0 HA CYS A 32 1.721 4.667 -7.672 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.318 5.851 -10.092 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.185 4.386 -9.271 1.00 0.00 H new ATOM 707 N ASP A 50 -8.379 -5.730 5.369 1.00 0.00 N ATOM 708 CA ASP A 50 -9.211 -4.540 5.237 1.00 0.00 C ATOM 709 C ASP A 50 -8.364 -3.267 5.447 1.00 0.00 C ATOM 710 O ASP A 50 -7.202 -3.304 5.851 1.00 0.00 O ATOM 711 CB ASP A 50 -10.368 -4.626 6.260 1.00 0.00 C ATOM 712 CG ASP A 50 -11.673 -3.964 5.781 1.00 0.00 C ATOM 713 OD1 ASP A 50 -11.615 -2.964 5.029 1.00 0.00 O ATOM 714 OD2 ASP A 50 -12.765 -4.441 6.173 1.00 0.00 O ATOM 0 HA ASP A 50 -9.631 -4.487 4.233 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.565 -5.674 6.484 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.053 -4.154 7.191 1.00 0.00 H new ATOM 719 N TRP A 51 -8.974 -2.113 5.219 1.00 0.00 N ATOM 720 CA TRP A 51 -8.471 -0.779 5.560 1.00 0.00 C ATOM 721 C TRP A 51 -8.155 -0.638 7.061 1.00 0.00 C ATOM 722 O TRP A 51 -7.181 0.014 7.445 1.00 0.00 O ATOM 723 CB TRP A 51 -9.497 0.265 5.095 1.00 0.00 C ATOM 724 CG TRP A 51 -9.656 1.467 5.974 1.00 0.00 C ATOM 725 CD1 TRP A 51 -10.678 1.686 6.833 1.00 0.00 C ATOM 726 CD2 TRP A 51 -8.753 2.602 6.118 1.00 0.00 C ATOM 727 NE1 TRP A 51 -10.485 2.898 7.469 1.00 0.00 N ATOM 728 CE2 TRP A 51 -9.318 3.507 7.060 1.00 0.00 C ATOM 729 CE3 TRP A 51 -7.504 2.946 5.565 1.00 0.00 C ATOM 730 CZ2 TRP A 51 -8.696 4.716 7.403 1.00 0.00 C ATOM 731 CZ3 TRP A 51 -6.868 4.155 5.901 1.00 0.00 C ATOM 732 CH2 TRP A 51 -7.466 5.045 6.808 1.00 0.00 C ATOM 0 H TRP A 51 -9.887 -2.074 4.765 1.00 0.00 H new ATOM 0 HA TRP A 51 -7.525 -0.616 5.044 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -9.215 0.604 4.098 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -10.467 -0.224 5.003 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -11.512 1.020 6.996 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -11.127 3.293 8.156 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -7.026 2.270 4.871 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -9.156 5.385 8.115 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -5.914 4.400 5.459 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -6.982 5.980 7.048 1.00 0.00 H new ATOM 743 N LEU A 52 -8.966 -1.266 7.920 1.00 0.00 N ATOM 744 CA LEU A 52 -8.831 -1.237 9.379 1.00 0.00 C ATOM 745 C LEU A 52 -7.459 -1.777 9.828 1.00 0.00 C ATOM 746 O LEU A 52 -6.770 -1.158 10.641 1.00 0.00 O ATOM 747 CB LEU A 52 -10.021 -2.009 9.996 1.00 0.00 C ATOM 748 CG LEU A 52 -10.641 -1.403 11.270 1.00 0.00 C ATOM 749 CD1 LEU A 52 -9.647 -1.281 12.425 1.00 0.00 C ATOM 750 CD2 LEU A 52 -11.285 -0.037 11.017 1.00 0.00 C ATOM 0 H LEU A 52 -9.759 -1.826 7.608 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.865 -0.209 9.740 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.803 -2.092 9.241 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.690 -3.022 10.225 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.416 -2.113 11.560 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -10.147 -0.847 13.291 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.266 -2.269 12.683 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.818 -0.639 12.126 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -11.706 0.345 11.947 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.531 0.658 10.648 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -12.077 -0.140 10.275 1.00 0.00 H new ATOM 762 N THR A 53 -7.030 -2.901 9.247 1.00 0.00 N ATOM 763 CA THR A 53 -5.697 -3.495 9.445 1.00 0.00 C ATOM 764 C THR A 53 -4.601 -2.828 8.604 1.00 0.00 C ATOM 765 O THR A 53 -3.471 -2.734 9.077 1.00 0.00 O ATOM 766 CB THR A 53 -5.717 -5.005 9.153 1.00 0.00 C ATOM 767 OG1 THR A 53 -6.445 -5.272 7.976 1.00 0.00 O ATOM 768 CG2 THR A 53 -6.393 -5.780 10.285 1.00 0.00 C ATOM 0 H THR A 53 -7.613 -3.441 8.608 1.00 0.00 H new ATOM 0 HA THR A 53 -5.452 -3.322 10.493 1.00 0.00 H new ATOM 0 HB THR A 53 -4.678 -5.319 9.049 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.428 -4.483 7.395 1.00 0.00 H new ATOM 0 HG21 THR A 53 -6.391 -6.844 10.049 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.849 -5.614 11.215 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.421 -5.435 10.399 1.00 0.00 H new ATOM 776 N PHE A 54 -4.905 -2.297 7.410 1.00 0.00 N ATOM 777 CA PHE A 54 -3.961 -1.590 6.527 1.00 0.00 C ATOM 778 C PHE A 54 -3.225 -0.442 7.228 1.00 0.00 C ATOM 779 O PHE A 54 -2.003 -0.324 7.106 1.00 0.00 O ATOM 780 CB PHE A 54 -4.707 -1.069 5.289 1.00 0.00 C ATOM 781 CG PHE A 54 -3.886 -0.163 4.394 1.00 0.00 C ATOM 782 CD1 PHE A 54 -2.979 -0.716 3.477 1.00 0.00 C ATOM 783 CD2 PHE A 54 -4.000 1.238 4.512 1.00 0.00 C ATOM 784 CE1 PHE A 54 -2.166 0.130 2.705 1.00 0.00 C ATOM 785 CE2 PHE A 54 -3.195 2.084 3.727 1.00 0.00 C ATOM 786 CZ PHE A 54 -2.265 1.526 2.834 1.00 0.00 C ATOM 0 H PHE A 54 -5.845 -2.349 7.018 1.00 0.00 H new ATOM 0 HA PHE A 54 -3.197 -2.309 6.231 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -5.052 -1.921 4.703 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -5.594 -0.527 5.617 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -2.906 -1.788 3.365 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.708 1.663 5.208 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.460 -0.295 2.007 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.292 3.156 3.811 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.626 2.169 2.247 1.00 0.00 H new ATOM 796 N GLN A 55 -3.959 0.362 8.004 1.00 0.00 N ATOM 797 CA GLN A 55 -3.401 1.408 8.865 1.00 0.00 C ATOM 798 C GLN A 55 -2.325 0.825 9.785 1.00 0.00 C ATOM 799 O GLN A 55 -1.155 1.183 9.678 1.00 0.00 O ATOM 800 CB GLN A 55 -4.517 2.050 9.697 1.00 0.00 C ATOM 801 CG GLN A 55 -5.473 2.897 8.854 1.00 0.00 C ATOM 802 CD GLN A 55 -6.809 3.017 9.567 1.00 0.00 C ATOM 803 OE1 GLN A 55 -7.045 3.885 10.396 1.00 0.00 O ATOM 804 NE2 GLN A 55 -7.717 2.111 9.297 1.00 0.00 N ATOM 0 H GLN A 55 -4.976 0.302 8.052 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.942 2.172 8.237 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.082 1.268 10.203 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.073 2.675 10.472 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.048 3.887 8.687 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.612 2.441 7.874 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -7.524 1.386 8.606 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.617 2.131 9.777 1.00 0.00 H new ATOM 813 N LYS A 56 -2.700 -0.126 10.649 1.00 0.00 N ATOM 814 CA LYS A 56 -1.757 -0.790 11.576 1.00 0.00 C ATOM 815 C LYS A 56 -0.590 -1.523 10.886 1.00 0.00 C ATOM 816 O LYS A 56 0.441 -1.752 11.523 1.00 0.00 O ATOM 817 CB LYS A 56 -2.519 -1.731 12.530 1.00 0.00 C ATOM 818 CG LYS A 56 -3.605 -1.052 13.387 1.00 0.00 C ATOM 819 CD LYS A 56 -3.086 0.166 14.173 1.00 0.00 C ATOM 820 CE LYS A 56 -4.110 0.701 15.185 1.00 0.00 C ATOM 821 NZ LYS A 56 -4.187 -0.135 16.415 1.00 0.00 N ATOM 0 H LYS A 56 -3.660 -0.460 10.730 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.287 0.010 12.148 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -2.984 -2.522 11.941 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.800 -2.210 13.195 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -4.424 -0.737 12.741 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -4.014 -1.780 14.087 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.172 -0.109 14.699 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.825 0.960 13.473 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.845 1.722 15.460 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.093 0.742 14.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.892 0.268 17.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.466 -1.104 16.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.257 -0.154 16.881 1.00 0.00 H new ATOM 835 N LYS A 57 -0.715 -1.861 9.596 1.00 0.00 N ATOM 836 CA LYS A 57 0.313 -2.515 8.764 1.00 0.00 C ATOM 837 C LYS A 57 1.483 -1.591 8.379 1.00 0.00 C ATOM 838 O LYS A 57 2.637 -1.963 8.589 1.00 0.00 O ATOM 839 CB LYS A 57 -0.354 -3.145 7.523 1.00 0.00 C ATOM 840 CG LYS A 57 0.271 -4.496 7.145 1.00 0.00 C ATOM 841 CD LYS A 57 -0.335 -5.614 8.005 1.00 0.00 C ATOM 842 CE LYS A 57 0.381 -6.952 7.777 1.00 0.00 C ATOM 843 NZ LYS A 57 -0.240 -8.045 8.574 1.00 0.00 N ATOM 0 H LYS A 57 -1.574 -1.679 9.077 1.00 0.00 H new ATOM 0 HA LYS A 57 0.769 -3.299 9.369 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.418 -3.281 7.716 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.268 -2.459 6.680 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.097 -4.704 6.089 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.351 -4.460 7.289 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.269 -5.340 9.058 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.394 -5.722 7.769 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.348 -7.208 6.718 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.432 -6.854 8.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.268 -8.935 8.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.186 -7.811 9.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.237 -8.154 8.297 1.00 0.00 H new ATOM 857 N HIS A 58 1.219 -0.408 7.806 1.00 0.00 N ATOM 858 CA HIS A 58 2.259 0.523 7.294 1.00 0.00 C ATOM 859 C HIS A 58 2.113 2.003 7.690 1.00 0.00 C ATOM 860 O HIS A 58 2.832 2.854 7.169 1.00 0.00 O ATOM 861 CB HIS A 58 2.367 0.428 5.764 1.00 0.00 C ATOM 862 CG HIS A 58 2.257 -0.962 5.194 1.00 0.00 C ATOM 863 ND1 HIS A 58 3.277 -1.888 5.139 1.00 0.00 N ATOM 864 CD2 HIS A 58 1.117 -1.545 4.712 1.00 0.00 C ATOM 865 CE1 HIS A 58 2.756 -3.030 4.655 1.00 0.00 C ATOM 866 NE2 HIS A 58 1.453 -2.839 4.357 1.00 0.00 N ATOM 0 H HIS A 58 0.269 -0.058 7.679 1.00 0.00 H new ATOM 0 HA HIS A 58 3.168 0.180 7.788 1.00 0.00 H new ATOM 0 HB2 HIS A 58 1.586 1.046 5.322 1.00 0.00 H new ATOM 0 HB3 HIS A 58 3.322 0.854 5.457 1.00 0.00 H new ATOM 0 HD1 HIS A 58 4.247 -1.735 5.414 1.00 0.00 H new ATOM 0 HD2 HIS A 58 0.144 -1.084 4.626 1.00 0.00 H new ATOM 0 HE1 HIS A 58 3.296 -3.956 4.525 1.00 0.00 H new ATOM 875 N ILE A 59 1.188 2.352 8.576 1.00 0.00 N ATOM 876 CA ILE A 59 0.852 3.749 8.917 1.00 0.00 C ATOM 877 C ILE A 59 0.917 3.951 10.434 1.00 0.00 C ATOM 878 O ILE A 59 0.632 3.041 11.217 1.00 0.00 O ATOM 879 CB ILE A 59 -0.519 4.167 8.315 1.00 0.00 C ATOM 880 CG1 ILE A 59 -0.587 3.759 6.820 1.00 0.00 C ATOM 881 CG2 ILE A 59 -0.769 5.678 8.483 1.00 0.00 C ATOM 882 CD1 ILE A 59 -1.643 4.462 5.963 1.00 0.00 C ATOM 0 H ILE A 59 0.635 1.668 9.092 1.00 0.00 H new ATOM 0 HA ILE A 59 1.593 4.409 8.466 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.306 3.645 8.859 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.390 3.941 6.373 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.766 2.685 6.768 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.736 5.937 8.051 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.765 5.932 9.543 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.017 6.236 7.973 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.588 4.090 4.940 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.634 4.261 6.370 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.459 5.536 5.968 1.00 0.00 H new ATOM 894 N THR A 60 1.301 5.153 10.860 1.00 0.00 N ATOM 895 CA THR A 60 1.293 5.545 12.278 1.00 0.00 C ATOM 896 C THR A 60 0.895 7.007 12.498 1.00 0.00 C ATOM 897 O THR A 60 1.095 7.864 11.639 1.00 0.00 O ATOM 898 CB THR A 60 2.649 5.226 12.929 1.00 0.00 C ATOM 899 OG1 THR A 60 2.559 5.493 14.309 1.00 0.00 O ATOM 900 CG2 THR A 60 3.826 6.022 12.357 1.00 0.00 C ATOM 0 H THR A 60 1.628 5.888 10.234 1.00 0.00 H new ATOM 0 HA THR A 60 0.520 4.952 12.767 1.00 0.00 H new ATOM 0 HB THR A 60 2.852 4.176 12.719 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.415 5.846 14.630 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.743 5.736 12.872 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.926 5.809 11.293 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.648 7.088 12.499 1.00 0.00 H new ATOM 908 N ASN A 61 0.370 7.299 13.692 1.00 0.00 N ATOM 909 CA ASN A 61 0.127 8.637 14.223 1.00 0.00 C ATOM 910 C ASN A 61 1.331 9.176 15.037 1.00 0.00 C ATOM 911 O ASN A 61 1.271 10.289 15.562 1.00 0.00 O ATOM 912 CB ASN A 61 -1.163 8.574 15.063 1.00 0.00 C ATOM 913 CG ASN A 61 -2.407 8.434 14.198 1.00 0.00 C ATOM 914 OD1 ASN A 61 -2.946 9.405 13.688 1.00 0.00 O ATOM 915 ND2 ASN A 61 -2.916 7.237 14.012 1.00 0.00 N ATOM 0 H ASN A 61 0.090 6.568 14.346 1.00 0.00 H new ATOM 0 HA ASN A 61 0.004 9.345 13.403 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.105 7.731 15.752 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.244 9.476 15.669 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -3.756 7.122 13.445 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -2.471 6.422 14.435 1.00 0.00 H new ATOM 922 N THR A 62 2.421 8.405 15.156 1.00 0.00 N ATOM 923 CA THR A 62 3.694 8.789 15.794 1.00 0.00 C ATOM 924 C THR A 62 4.842 7.878 15.335 1.00 0.00 C ATOM 925 O THR A 62 4.833 6.669 15.589 1.00 0.00 O ATOM 926 CB THR A 62 3.564 8.810 17.333 1.00 0.00 C ATOM 927 OG1 THR A 62 4.805 9.166 17.907 1.00 0.00 O ATOM 928 CG2 THR A 62 3.086 7.508 17.992 1.00 0.00 C ATOM 0 H THR A 62 2.443 7.452 14.794 1.00 0.00 H new ATOM 0 HA THR A 62 3.935 9.803 15.474 1.00 0.00 H new ATOM 0 HB THR A 62 2.781 9.543 17.527 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.722 9.181 18.883 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.034 7.645 19.072 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.098 7.249 17.611 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.786 6.705 17.761 1.00 0.00 H new ATOM 936 N ARG A 63 5.836 8.416 14.610 1.00 0.00 N ATOM 937 CA ARG A 63 7.057 7.665 14.260 1.00 0.00 C ATOM 938 C ARG A 63 7.897 7.388 15.516 1.00 0.00 C ATOM 939 O ARG A 63 8.609 8.265 16.006 1.00 0.00 O ATOM 940 CB ARG A 63 7.878 8.387 13.178 1.00 0.00 C ATOM 941 CG ARG A 63 9.042 7.493 12.714 1.00 0.00 C ATOM 942 CD ARG A 63 9.981 8.202 11.735 1.00 0.00 C ATOM 943 NE ARG A 63 10.934 9.098 12.426 1.00 0.00 N ATOM 944 CZ ARG A 63 10.872 10.407 12.608 1.00 0.00 C ATOM 945 NH1 ARG A 63 9.874 11.128 12.183 1.00 0.00 N ATOM 946 NH2 ARG A 63 11.831 11.024 13.236 1.00 0.00 N ATOM 0 H ARG A 63 5.819 9.371 14.253 1.00 0.00 H new ATOM 0 HA ARG A 63 6.753 6.707 13.838 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.239 8.635 12.330 1.00 0.00 H new ATOM 0 HB3 ARG A 63 8.265 9.327 13.571 1.00 0.00 H new ATOM 0 HG2 ARG A 63 9.611 7.165 13.584 1.00 0.00 H new ATOM 0 HG3 ARG A 63 8.640 6.597 12.240 1.00 0.00 H new ATOM 0 HD2 ARG A 63 10.534 7.458 11.161 1.00 0.00 H new ATOM 0 HD3 ARG A 63 9.392 8.780 11.023 1.00 0.00 H new ATOM 0 HE ARG A 63 11.757 8.641 12.818 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.100 10.686 11.688 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.867 12.135 12.345 1.00 0.00 H new ATOM 0 HH21 ARG A 63 12.631 10.498 13.588 1.00 0.00 H new ATOM 0 HH22 ARG A 63 11.782 12.033 13.376 1.00 0.00 H new ATOM 960 N ASP A 64 7.836 6.152 16.000 1.00 0.00 N ATOM 961 CA ASP A 64 8.602 5.647 17.153 1.00 0.00 C ATOM 962 C ASP A 64 9.639 4.569 16.765 1.00 0.00 C ATOM 963 O ASP A 64 10.302 3.983 17.624 1.00 0.00 O ATOM 964 CB ASP A 64 7.597 5.162 18.213 1.00 0.00 C ATOM 965 CG ASP A 64 8.235 4.902 19.590 1.00 0.00 C ATOM 966 OD1 ASP A 64 8.897 5.818 20.139 1.00 0.00 O ATOM 967 OD2 ASP A 64 8.025 3.802 20.159 1.00 0.00 O ATOM 0 H ASP A 64 7.231 5.441 15.590 1.00 0.00 H new ATOM 0 HA ASP A 64 9.206 6.454 17.568 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.808 5.906 18.322 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.124 4.245 17.861 1.00 0.00 H new ATOM 972 N VAL A 65 9.794 4.297 15.463 1.00 0.00 N ATOM 973 CA VAL A 65 10.688 3.256 14.931 1.00 0.00 C ATOM 974 C VAL A 65 12.146 3.733 14.894 1.00 0.00 C ATOM 975 O VAL A 65 12.433 4.881 14.549 1.00 0.00 O ATOM 976 CB VAL A 65 10.201 2.811 13.537 1.00 0.00 C ATOM 977 CG1 VAL A 65 11.172 1.830 12.875 1.00 0.00 C ATOM 978 CG2 VAL A 65 8.835 2.118 13.660 1.00 0.00 C ATOM 0 H VAL A 65 9.292 4.804 14.734 1.00 0.00 H new ATOM 0 HA VAL A 65 10.656 2.395 15.599 1.00 0.00 H new ATOM 0 HB VAL A 65 10.133 3.708 12.921 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.789 1.544 11.896 1.00 0.00 H new ATOM 0 HG12 VAL A 65 12.146 2.305 12.759 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.274 0.942 13.499 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.495 1.806 12.673 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.927 1.244 14.305 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.112 2.812 14.090 1.00 0.00 H new ATOM 988 N ASP A 66 13.074 2.817 15.194 1.00 0.00 N ATOM 989 CA ASP A 66 14.536 3.009 15.130 1.00 0.00 C ATOM 990 C ASP A 66 15.245 1.896 14.320 1.00 0.00 C ATOM 991 O ASP A 66 16.472 1.798 14.312 1.00 0.00 O ATOM 992 CB ASP A 66 15.073 3.121 16.568 1.00 0.00 C ATOM 993 CG ASP A 66 16.499 3.702 16.650 1.00 0.00 C ATOM 994 OD1 ASP A 66 16.759 4.774 16.051 1.00 0.00 O ATOM 995 OD2 ASP A 66 17.346 3.123 17.372 1.00 0.00 O ATOM 0 H ASP A 66 12.820 1.878 15.502 1.00 0.00 H new ATOM 0 HA ASP A 66 14.754 3.931 14.590 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.399 3.749 17.151 1.00 0.00 H new ATOM 0 HB3 ASP A 66 15.065 2.133 17.028 1.00 0.00 H new ATOM 1000 N CYS A 67 14.462 1.050 13.634 1.00 0.00 N ATOM 1001 CA CYS A 67 14.883 -0.103 12.824 1.00 0.00 C ATOM 1002 C CYS A 67 15.808 -1.076 13.591 1.00 0.00 C ATOM 1003 O CYS A 67 16.829 -1.546 13.090 1.00 0.00 O ATOM 1004 CB CYS A 67 15.411 0.391 11.470 1.00 0.00 C ATOM 1005 SG CYS A 67 14.323 1.619 10.688 1.00 0.00 S ATOM 0 H CYS A 67 13.448 1.161 13.630 1.00 0.00 H new ATOM 0 HA CYS A 67 14.019 -0.731 12.607 1.00 0.00 H new ATOM 0 HB2 CYS A 67 16.400 0.827 11.609 1.00 0.00 H new ATOM 0 HB3 CYS A 67 15.529 -0.460 10.800 1.00 0.00 H new ATOM 1010 N ASP A 68 15.425 -1.363 14.840 1.00 0.00 N ATOM 1011 CA ASP A 68 16.130 -2.215 15.807 1.00 0.00 C ATOM 1012 C ASP A 68 15.223 -2.717 16.952 1.00 0.00 C ATOM 1013 O ASP A 68 15.473 -3.786 17.507 1.00 0.00 O ATOM 1014 CB ASP A 68 17.341 -1.449 16.385 1.00 0.00 C ATOM 1015 CG ASP A 68 18.674 -1.966 15.825 1.00 0.00 C ATOM 1016 OD1 ASP A 68 18.851 -3.205 15.748 1.00 0.00 O ATOM 1017 OD2 ASP A 68 19.576 -1.155 15.516 1.00 0.00 O ATOM 0 H ASP A 68 14.561 -0.984 15.228 1.00 0.00 H new ATOM 0 HA ASP A 68 16.464 -3.101 15.267 1.00 0.00 H new ATOM 0 HB2 ASP A 68 17.240 -0.388 16.157 1.00 0.00 H new ATOM 0 HB3 ASP A 68 17.344 -1.543 17.471 1.00 0.00 H new ATOM 1022 N ASN A 69 14.137 -2.003 17.279 1.00 0.00 N ATOM 1023 CA ASN A 69 13.145 -2.401 18.289 1.00 0.00 C ATOM 1024 C ASN A 69 11.859 -3.003 17.691 1.00 0.00 C ATOM 1025 O ASN A 69 11.011 -3.502 18.431 1.00 0.00 O ATOM 1026 CB ASN A 69 12.840 -1.238 19.240 1.00 0.00 C ATOM 1027 CG ASN A 69 12.099 -0.101 18.573 1.00 0.00 C ATOM 1028 OD1 ASN A 69 10.889 -0.101 18.411 1.00 0.00 O ATOM 1029 ND2 ASN A 69 12.827 0.898 18.147 1.00 0.00 N ATOM 0 H ASN A 69 13.918 -1.110 16.838 1.00 0.00 H new ATOM 0 HA ASN A 69 13.599 -3.208 18.864 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.248 -1.608 20.077 1.00 0.00 H new ATOM 0 HB3 ASN A 69 13.775 -0.860 19.653 1.00 0.00 H new ATOM 0 HD21 ASN A 69 12.385 1.686 17.675 1.00 0.00 H new ATOM 0 HD22 ASN A 69 13.837 0.889 18.287 1.00 0.00 H new ATOM 1036 N ILE A 70 11.723 -3.010 16.356 1.00 0.00 N ATOM 1037 CA ILE A 70 10.536 -3.507 15.630 1.00 0.00 C ATOM 1038 C ILE A 70 10.240 -4.994 15.862 1.00 0.00 C ATOM 1039 O ILE A 70 9.133 -5.449 15.585 1.00 0.00 O ATOM 1040 CB ILE A 70 10.619 -3.170 14.125 1.00 0.00 C ATOM 1041 CG1 ILE A 70 11.742 -3.948 13.394 1.00 0.00 C ATOM 1042 CG2 ILE A 70 10.734 -1.643 13.983 1.00 0.00 C ATOM 1043 CD1 ILE A 70 12.109 -3.378 12.022 1.00 0.00 C ATOM 0 H ILE A 70 12.452 -2.662 15.733 1.00 0.00 H new ATOM 0 HA ILE A 70 9.685 -2.975 16.055 1.00 0.00 H new ATOM 0 HB ILE A 70 9.709 -3.502 13.625 1.00 0.00 H new ATOM 0 HG12 ILE A 70 12.633 -3.954 14.022 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.430 -4.985 13.272 1.00 0.00 H new ATOM 0 HG21 ILE A 70 10.794 -1.379 12.927 1.00 0.00 H new ATOM 0 HG22 ILE A 70 9.858 -1.169 14.426 1.00 0.00 H new ATOM 0 HG23 ILE A 70 11.632 -1.297 14.495 1.00 0.00 H new ATOM 0 HD11 ILE A 70 12.902 -3.980 11.578 1.00 0.00 H new ATOM 0 HD12 ILE A 70 11.233 -3.397 11.374 1.00 0.00 H new ATOM 0 HD13 ILE A 70 12.454 -2.350 12.135 1.00 0.00 H new ATOM 1055 N MET A 71 11.180 -5.728 16.465 1.00 0.00 N ATOM 1056 CA MET A 71 10.947 -7.081 16.999 1.00 0.00 C ATOM 1057 C MET A 71 9.808 -7.128 18.046 1.00 0.00 C ATOM 1058 O MET A 71 9.093 -8.125 18.147 1.00 0.00 O ATOM 1059 CB MET A 71 12.271 -7.645 17.544 1.00 0.00 C ATOM 1060 CG MET A 71 12.216 -9.148 17.859 1.00 0.00 C ATOM 1061 SD MET A 71 11.746 -9.593 19.558 1.00 0.00 S ATOM 1062 CE MET A 71 13.324 -9.317 20.415 1.00 0.00 C ATOM 0 H MET A 71 12.136 -5.399 16.600 1.00 0.00 H new ATOM 0 HA MET A 71 10.602 -7.717 16.184 1.00 0.00 H new ATOM 0 HB2 MET A 71 13.061 -7.464 16.815 1.00 0.00 H new ATOM 0 HB3 MET A 71 12.542 -7.102 18.449 1.00 0.00 H new ATOM 0 HG2 MET A 71 11.509 -9.616 17.174 1.00 0.00 H new ATOM 0 HG3 MET A 71 13.195 -9.578 17.650 1.00 0.00 H new ATOM 0 HE1 MET A 71 13.208 -9.546 21.474 1.00 0.00 H new ATOM 0 HE2 MET A 71 14.089 -9.964 19.986 1.00 0.00 H new ATOM 0 HE3 MET A 71 13.623 -8.275 20.300 1.00 0.00 H new ATOM 1072 N SER A 72 9.583 -6.027 18.774 1.00 0.00 N ATOM 1073 CA SER A 72 8.490 -5.838 19.743 1.00 0.00 C ATOM 1074 C SER A 72 7.152 -5.389 19.111 1.00 0.00 C ATOM 1075 O SER A 72 6.175 -5.169 19.832 1.00 0.00 O ATOM 1076 CB SER A 72 8.948 -4.816 20.796 1.00 0.00 C ATOM 1077 OG SER A 72 8.160 -4.891 21.976 1.00 0.00 O ATOM 0 H SER A 72 10.183 -5.205 18.702 1.00 0.00 H new ATOM 0 HA SER A 72 8.285 -6.810 20.192 1.00 0.00 H new ATOM 0 HB2 SER A 72 9.994 -4.993 21.045 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.885 -3.811 20.379 1.00 0.00 H new ATOM 0 HG SER A 72 7.213 -4.960 21.733 1.00 0.00 H new ATOM 1083 N THR A 73 7.081 -5.237 17.782 1.00 0.00 N ATOM 1084 CA THR A 73 5.907 -4.731 17.033 1.00 0.00 C ATOM 1085 C THR A 73 5.345 -5.786 16.069 1.00 0.00 C ATOM 1086 O THR A 73 5.849 -6.906 15.994 1.00 0.00 O ATOM 1087 CB THR A 73 6.238 -3.435 16.263 1.00 0.00 C ATOM 1088 OG1 THR A 73 7.016 -3.719 15.122 1.00 0.00 O ATOM 1089 CG2 THR A 73 6.960 -2.372 17.090 1.00 0.00 C ATOM 0 H THR A 73 7.864 -5.469 17.171 1.00 0.00 H new ATOM 0 HA THR A 73 5.141 -4.505 17.775 1.00 0.00 H new ATOM 0 HB THR A 73 5.268 -3.021 15.987 1.00 0.00 H new ATOM 0 HG1 THR A 73 7.750 -4.319 15.368 1.00 0.00 H new ATOM 0 HG21 THR A 73 7.152 -1.497 16.469 1.00 0.00 H new ATOM 0 HG22 THR A 73 6.338 -2.086 17.938 1.00 0.00 H new ATOM 0 HG23 THR A 73 7.906 -2.774 17.453 1.00 0.00 H new ATOM 1097 N ASN A 74 4.317 -5.435 15.285 1.00 0.00 N ATOM 1098 CA ASN A 74 3.796 -6.274 14.195 1.00 0.00 C ATOM 1099 C ASN A 74 4.818 -6.516 13.059 1.00 0.00 C ATOM 1100 O ASN A 74 4.657 -7.443 12.266 1.00 0.00 O ATOM 1101 CB ASN A 74 2.515 -5.633 13.628 1.00 0.00 C ATOM 1102 CG ASN A 74 1.456 -5.381 14.687 1.00 0.00 C ATOM 1103 OD1 ASN A 74 0.829 -6.294 15.208 1.00 0.00 O ATOM 1104 ND2 ASN A 74 1.233 -4.138 15.051 1.00 0.00 N ATOM 0 H ASN A 74 3.818 -4.552 15.390 1.00 0.00 H new ATOM 0 HA ASN A 74 3.580 -7.254 14.621 1.00 0.00 H new ATOM 0 HB2 ASN A 74 2.771 -4.689 13.147 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.102 -6.283 12.857 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.537 -3.934 15.768 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.756 -3.378 14.616 1.00 0.00 H new ATOM 1111 N LEU A 75 5.872 -5.695 12.976 1.00 0.00 N ATOM 1112 CA LEU A 75 6.841 -5.638 11.877 1.00 0.00 C ATOM 1113 C LEU A 75 8.090 -6.521 12.088 1.00 0.00 C ATOM 1114 O LEU A 75 9.051 -6.424 11.321 1.00 0.00 O ATOM 1115 CB LEU A 75 7.218 -4.158 11.648 1.00 0.00 C ATOM 1116 CG LEU A 75 6.094 -3.187 11.227 1.00 0.00 C ATOM 1117 CD1 LEU A 75 5.127 -3.796 10.216 1.00 0.00 C ATOM 1118 CD2 LEU A 75 5.301 -2.591 12.390 1.00 0.00 C ATOM 0 H LEU A 75 6.082 -5.019 13.711 1.00 0.00 H new ATOM 0 HA LEU A 75 6.369 -6.057 10.988 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.661 -3.779 12.569 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.994 -4.124 10.883 1.00 0.00 H new ATOM 0 HG LEU A 75 6.637 -2.370 10.752 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.360 -3.065 9.960 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.673 -4.080 9.316 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.656 -4.679 10.649 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.533 -1.922 12.002 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.830 -3.393 12.958 1.00 0.00 H new ATOM 0 HD23 LEU A 75 5.974 -2.033 13.041 1.00 0.00 H new ATOM 1130 N PHE A 76 8.072 -7.409 13.085 1.00 0.00 N ATOM 1131 CA PHE A 76 9.168 -8.280 13.536 1.00 0.00 C ATOM 1132 C PHE A 76 9.654 -9.309 12.507 1.00 0.00 C ATOM 1133 O PHE A 76 10.671 -9.970 12.721 1.00 0.00 O ATOM 1134 CB PHE A 76 8.718 -9.020 14.802 1.00 0.00 C ATOM 1135 CG PHE A 76 7.707 -10.137 14.591 1.00 0.00 C ATOM 1136 CD1 PHE A 76 6.341 -9.846 14.417 1.00 0.00 C ATOM 1137 CD2 PHE A 76 8.134 -11.479 14.575 1.00 0.00 C ATOM 1138 CE1 PHE A 76 5.409 -10.882 14.231 1.00 0.00 C ATOM 1139 CE2 PHE A 76 7.203 -12.518 14.392 1.00 0.00 C ATOM 1140 CZ PHE A 76 5.839 -12.221 14.222 1.00 0.00 C ATOM 0 H PHE A 76 7.229 -7.551 13.642 1.00 0.00 H new ATOM 0 HA PHE A 76 10.017 -7.620 13.715 1.00 0.00 H new ATOM 0 HB2 PHE A 76 9.599 -9.440 15.287 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.290 -8.293 15.492 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.006 -8.819 14.426 1.00 0.00 H new ATOM 0 HD2 PHE A 76 9.181 -11.712 14.704 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.363 -10.650 14.095 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.536 -13.545 14.382 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.124 -13.019 14.085 1.00 0.00 H new ATOM 1150 N HIS A 77 8.936 -9.446 11.387 1.00 0.00 N ATOM 1151 CA HIS A 77 9.143 -10.460 10.346 1.00 0.00 C ATOM 1152 C HIS A 77 10.516 -10.386 9.632 1.00 0.00 C ATOM 1153 O HIS A 77 10.859 -11.282 8.862 1.00 0.00 O ATOM 1154 CB HIS A 77 7.969 -10.337 9.354 1.00 0.00 C ATOM 1155 CG HIS A 77 7.825 -11.515 8.427 1.00 0.00 C ATOM 1156 ND1 HIS A 77 7.321 -12.756 8.773 1.00 0.00 N ATOM 1157 CD2 HIS A 77 8.175 -11.545 7.105 1.00 0.00 C ATOM 1158 CE1 HIS A 77 7.375 -13.535 7.674 1.00 0.00 C ATOM 1159 NE2 HIS A 77 7.886 -12.820 6.647 1.00 0.00 N ATOM 0 H HIS A 77 8.157 -8.823 11.171 1.00 0.00 H new ATOM 0 HA HIS A 77 9.162 -11.441 10.820 1.00 0.00 H new ATOM 0 HB2 HIS A 77 7.043 -10.215 9.916 1.00 0.00 H new ATOM 0 HB3 HIS A 77 8.103 -9.434 8.759 1.00 0.00 H new ATOM 0 HD2 HIS A 77 8.595 -10.733 6.530 1.00 0.00 H new ATOM 0 HE1 HIS A 77 7.060 -14.567 7.622 1.00 0.00 H new ATOM 0 HE2 HIS A 77 8.034 -13.161 5.697 1.00 0.00 H new ATOM 1168 N CYS A 78 11.288 -9.315 9.863 1.00 0.00 N ATOM 1169 CA CYS A 78 12.480 -8.898 9.099 1.00 0.00 C ATOM 1170 C CYS A 78 12.324 -9.091 7.569 1.00 0.00 C ATOM 1171 O CYS A 78 13.086 -9.791 6.895 1.00 0.00 O ATOM 1172 CB CYS A 78 13.768 -9.482 9.707 1.00 0.00 C ATOM 1173 SG CYS A 78 15.306 -8.955 8.879 1.00 0.00 S ATOM 0 H CYS A 78 11.088 -8.677 10.633 1.00 0.00 H new ATOM 0 HA CYS A 78 12.578 -7.817 9.201 1.00 0.00 H new ATOM 0 HB2 CYS A 78 13.820 -9.196 10.758 1.00 0.00 H new ATOM 0 HB3 CYS A 78 13.708 -10.570 9.675 1.00 0.00 H new ATOM 1178 N LYS A 79 11.302 -8.425 7.017 1.00 0.00 N ATOM 1179 CA LYS A 79 11.158 -8.144 5.576 1.00 0.00 C ATOM 1180 C LYS A 79 12.225 -7.151 5.079 1.00 0.00 C ATOM 1181 O LYS A 79 12.810 -6.414 5.871 1.00 0.00 O ATOM 1182 CB LYS A 79 9.709 -7.708 5.256 1.00 0.00 C ATOM 1183 CG LYS A 79 9.031 -6.741 6.246 1.00 0.00 C ATOM 1184 CD LYS A 79 9.649 -5.334 6.303 1.00 0.00 C ATOM 1185 CE LYS A 79 10.396 -4.982 7.602 1.00 0.00 C ATOM 1186 NZ LYS A 79 9.473 -4.832 8.763 1.00 0.00 N ATOM 0 H LYS A 79 10.530 -8.055 7.572 1.00 0.00 H new ATOM 0 HA LYS A 79 11.341 -9.062 5.018 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.706 -7.241 4.271 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.094 -8.605 5.185 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.978 -6.649 5.978 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.069 -7.179 7.243 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.341 -5.228 5.468 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.855 -4.603 6.153 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.127 -5.760 7.820 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.951 -4.055 7.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.650 -3.921 9.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.488 -4.864 8.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.636 -5.606 9.438 1.00 0.00 H new ATOM 1200 N ASP A 80 12.454 -7.109 3.766 1.00 0.00 N ATOM 1201 CA ASP A 80 13.542 -6.350 3.115 1.00 0.00 C ATOM 1202 C ASP A 80 13.443 -4.823 3.287 1.00 0.00 C ATOM 1203 O ASP A 80 14.466 -4.145 3.401 1.00 0.00 O ATOM 1204 CB ASP A 80 13.575 -6.681 1.616 1.00 0.00 C ATOM 1205 CG ASP A 80 13.888 -8.162 1.351 1.00 0.00 C ATOM 1206 OD1 ASP A 80 15.086 -8.518 1.240 1.00 0.00 O ATOM 1207 OD2 ASP A 80 12.935 -8.971 1.250 1.00 0.00 O ATOM 0 H ASP A 80 11.873 -7.616 3.098 1.00 0.00 H new ATOM 0 HA ASP A 80 14.460 -6.659 3.615 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.613 -6.430 1.170 1.00 0.00 H new ATOM 0 HB3 ASP A 80 14.325 -6.060 1.126 1.00 0.00 H new ATOM 1212 N LYS A 81 12.218 -4.287 3.324 1.00 0.00 N ATOM 1213 CA LYS A 81 11.894 -2.914 3.741 1.00 0.00 C ATOM 1214 C LYS A 81 10.427 -2.770 4.133 1.00 0.00 C ATOM 1215 O LYS A 81 9.576 -3.518 3.652 1.00 0.00 O ATOM 1216 CB LYS A 81 12.241 -1.883 2.641 1.00 0.00 C ATOM 1217 CG LYS A 81 11.763 -2.271 1.231 1.00 0.00 C ATOM 1218 CD LYS A 81 11.593 -1.061 0.295 1.00 0.00 C ATOM 1219 CE LYS A 81 10.314 -0.271 0.627 1.00 0.00 C ATOM 1220 NZ LYS A 81 10.143 0.924 -0.244 1.00 0.00 N ATOM 0 H LYS A 81 11.390 -4.818 3.054 1.00 0.00 H new ATOM 0 HA LYS A 81 12.509 -2.709 4.617 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.801 -0.922 2.909 1.00 0.00 H new ATOM 0 HB3 LYS A 81 13.322 -1.743 2.619 1.00 0.00 H new ATOM 0 HG2 LYS A 81 12.478 -2.966 0.790 1.00 0.00 H new ATOM 0 HG3 LYS A 81 10.812 -2.799 1.309 1.00 0.00 H new ATOM 0 HD2 LYS A 81 12.460 -0.406 0.383 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.554 -1.402 -0.740 1.00 0.00 H new ATOM 0 HE2 LYS A 81 9.448 -0.924 0.517 1.00 0.00 H new ATOM 0 HE3 LYS A 81 10.345 0.044 1.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 9.357 1.504 0.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 11.018 1.485 -0.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 9.933 0.618 -1.216 1.00 0.00 H new ATOM 1234 N ASN A 82 10.130 -1.760 4.946 1.00 0.00 N ATOM 1235 CA ASN A 82 8.781 -1.208 5.092 1.00 0.00 C ATOM 1236 C ASN A 82 8.799 0.285 4.735 1.00 0.00 C ATOM 1237 O ASN A 82 9.825 0.951 4.895 1.00 0.00 O ATOM 1238 CB ASN A 82 8.266 -1.459 6.525 1.00 0.00 C ATOM 1239 CG ASN A 82 6.746 -1.411 6.656 1.00 0.00 C ATOM 1240 OD1 ASN A 82 5.996 -1.339 5.693 1.00 0.00 O ATOM 1241 ND2 ASN A 82 6.245 -1.502 7.862 1.00 0.00 N ATOM 0 H ASN A 82 10.825 -1.295 5.530 1.00 0.00 H new ATOM 0 HA ASN A 82 8.094 -1.705 4.408 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.619 -2.434 6.861 1.00 0.00 H new ATOM 0 HB3 ASN A 82 8.702 -0.715 7.192 1.00 0.00 H new ATOM 0 HD21 ASN A 82 5.234 -1.513 7.995 1.00 0.00 H new ATOM 0 HD22 ASN A 82 6.866 -1.562 8.669 1.00 0.00 H new ATOM 1248 N THR A 83 7.661 0.801 4.278 1.00 0.00 N ATOM 1249 CA THR A 83 7.431 2.223 4.008 1.00 0.00 C ATOM 1250 C THR A 83 6.411 2.738 5.022 1.00 0.00 C ATOM 1251 O THR A 83 5.209 2.521 4.850 1.00 0.00 O ATOM 1252 CB THR A 83 6.880 2.427 2.585 1.00 0.00 C ATOM 1253 OG1 THR A 83 7.742 1.857 1.611 1.00 0.00 O ATOM 1254 CG2 THR A 83 6.681 3.905 2.266 1.00 0.00 C ATOM 0 H THR A 83 6.844 0.224 4.078 1.00 0.00 H new ATOM 0 HA THR A 83 8.373 2.766 4.091 1.00 0.00 H new ATOM 0 HB THR A 83 5.914 1.923 2.551 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.366 2.000 0.717 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.291 4.009 1.253 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.974 4.338 2.974 1.00 0.00 H new ATOM 0 HG23 THR A 83 7.636 4.426 2.343 1.00 0.00 H new ATOM 1262 N PHE A 84 6.857 3.380 6.101 1.00 0.00 N ATOM 1263 CA PHE A 84 5.944 3.973 7.079 1.00 0.00 C ATOM 1264 C PHE A 84 5.445 5.349 6.632 1.00 0.00 C ATOM 1265 O PHE A 84 6.224 6.199 6.192 1.00 0.00 O ATOM 1266 CB PHE A 84 6.577 4.077 8.465 1.00 0.00 C ATOM 1267 CG PHE A 84 6.943 2.754 9.093 1.00 0.00 C ATOM 1268 CD1 PHE A 84 5.939 1.808 9.383 1.00 0.00 C ATOM 1269 CD2 PHE A 84 8.287 2.487 9.410 1.00 0.00 C ATOM 1270 CE1 PHE A 84 6.279 0.623 10.060 1.00 0.00 C ATOM 1271 CE2 PHE A 84 8.630 1.254 9.988 1.00 0.00 C ATOM 1272 CZ PHE A 84 7.626 0.340 10.353 1.00 0.00 C ATOM 0 H PHE A 84 7.845 3.503 6.321 1.00 0.00 H new ATOM 0 HA PHE A 84 5.090 3.299 7.142 1.00 0.00 H new ATOM 0 HB2 PHE A 84 7.475 4.691 8.394 1.00 0.00 H new ATOM 0 HB3 PHE A 84 5.886 4.599 9.127 1.00 0.00 H new ATOM 0 HD1 PHE A 84 4.917 1.992 9.088 1.00 0.00 H new ATOM 0 HD2 PHE A 84 9.050 3.225 9.210 1.00 0.00 H new ATOM 0 HE1 PHE A 84 5.506 -0.070 10.355 1.00 0.00 H new ATOM 0 HE2 PHE A 84 9.668 1.007 10.153 1.00 0.00 H new ATOM 0 HZ PHE A 84 7.888 -0.578 10.858 1.00 0.00 H new ATOM 1282 N ILE A 85 4.144 5.573 6.809 1.00 0.00 N ATOM 1283 CA ILE A 85 3.443 6.827 6.532 1.00 0.00 C ATOM 1284 C ILE A 85 3.065 7.438 7.885 1.00 0.00 C ATOM 1285 O ILE A 85 2.228 6.890 8.604 1.00 0.00 O ATOM 1286 CB ILE A 85 2.217 6.534 5.635 1.00 0.00 C ATOM 1287 CG1 ILE A 85 2.640 5.961 4.260 1.00 0.00 C ATOM 1288 CG2 ILE A 85 1.339 7.779 5.430 1.00 0.00 C ATOM 1289 CD1 ILE A 85 1.496 5.233 3.547 1.00 0.00 C ATOM 0 H ILE A 85 3.519 4.850 7.167 1.00 0.00 H new ATOM 0 HA ILE A 85 4.061 7.542 5.988 1.00 0.00 H new ATOM 0 HB ILE A 85 1.627 5.784 6.162 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.999 6.773 3.627 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.473 5.272 4.399 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.491 7.525 4.794 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.976 8.131 6.396 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.927 8.564 4.955 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.849 4.852 2.589 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.153 4.402 4.164 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.671 5.926 3.381 1.00 0.00 H new ATOM 1301 N TYR A 86 3.706 8.539 8.276 1.00 0.00 N ATOM 1302 CA TYR A 86 3.292 9.318 9.444 1.00 0.00 C ATOM 1303 C TYR A 86 2.144 10.263 9.049 1.00 0.00 C ATOM 1304 O TYR A 86 2.369 11.391 8.599 1.00 0.00 O ATOM 1305 CB TYR A 86 4.506 10.016 10.071 1.00 0.00 C ATOM 1306 CG TYR A 86 4.265 10.916 11.276 1.00 0.00 C ATOM 1307 CD1 TYR A 86 3.075 10.856 12.033 1.00 0.00 C ATOM 1308 CD2 TYR A 86 5.264 11.844 11.639 1.00 0.00 C ATOM 1309 CE1 TYR A 86 2.865 11.751 13.098 1.00 0.00 C ATOM 1310 CE2 TYR A 86 5.066 12.725 12.719 1.00 0.00 C ATOM 1311 CZ TYR A 86 3.860 12.688 13.448 1.00 0.00 C ATOM 1312 OH TYR A 86 3.664 13.553 14.481 1.00 0.00 O ATOM 0 H TYR A 86 4.523 8.915 7.795 1.00 0.00 H new ATOM 0 HA TYR A 86 2.896 8.669 10.225 1.00 0.00 H new ATOM 0 HB2 TYR A 86 5.219 9.246 10.365 1.00 0.00 H new ATOM 0 HB3 TYR A 86 4.985 10.615 9.296 1.00 0.00 H new ATOM 0 HD1 TYR A 86 2.322 10.120 11.793 1.00 0.00 H new ATOM 0 HD2 TYR A 86 6.189 11.879 11.083 1.00 0.00 H new ATOM 0 HE1 TYR A 86 1.937 11.721 13.650 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.839 13.430 12.989 1.00 0.00 H new ATOM 0 HH TYR A 86 4.453 14.126 14.582 1.00 0.00 H new ATOM 1322 N SER A 87 0.902 9.779 9.163 1.00 0.00 N ATOM 1323 CA SER A 87 -0.329 10.541 8.893 1.00 0.00 C ATOM 1324 C SER A 87 -1.511 10.079 9.753 1.00 0.00 C ATOM 1325 O SER A 87 -1.550 8.943 10.231 1.00 0.00 O ATOM 1326 CB SER A 87 -0.741 10.395 7.421 1.00 0.00 C ATOM 1327 OG SER A 87 0.284 10.852 6.562 1.00 0.00 O ATOM 0 H SER A 87 0.717 8.819 9.454 1.00 0.00 H new ATOM 0 HA SER A 87 -0.098 11.578 9.136 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.964 9.350 7.204 1.00 0.00 H new ATOM 0 HB3 SER A 87 -1.654 10.961 7.237 1.00 0.00 H new ATOM 0 HG SER A 87 -0.020 11.654 6.088 1.00 0.00 H new ATOM 1333 N ARG A 88 -2.526 10.945 9.884 1.00 0.00 N ATOM 1334 CA ARG A 88 -3.865 10.585 10.372 1.00 0.00 C ATOM 1335 C ARG A 88 -4.616 9.723 9.347 1.00 0.00 C ATOM 1336 O ARG A 88 -4.255 9.739 8.170 1.00 0.00 O ATOM 1337 CB ARG A 88 -4.644 11.876 10.693 1.00 0.00 C ATOM 1338 CG ARG A 88 -4.299 12.349 12.110 1.00 0.00 C ATOM 1339 CD ARG A 88 -5.167 13.541 12.533 1.00 0.00 C ATOM 1340 NE ARG A 88 -5.348 13.577 13.998 1.00 0.00 N ATOM 1341 CZ ARG A 88 -6.212 14.309 14.680 1.00 0.00 C ATOM 1342 NH1 ARG A 88 -6.955 15.214 14.107 1.00 0.00 N ATOM 1343 NH2 ARG A 88 -6.350 14.140 15.964 1.00 0.00 N ATOM 0 H ARG A 88 -2.438 11.934 9.649 1.00 0.00 H new ATOM 0 HA ARG A 88 -3.769 9.988 11.279 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -4.395 12.652 9.969 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.716 11.696 10.610 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -4.440 11.528 12.813 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -3.247 12.630 12.155 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -4.703 14.469 12.198 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -6.140 13.477 12.045 1.00 0.00 H new ATOM 0 HE ARG A 88 -4.738 12.969 14.545 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -6.880 15.375 13.103 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -7.612 15.761 14.663 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -5.790 13.439 16.449 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -7.018 14.708 16.484 1.00 0.00 H new ATOM 1357 N PRO A 89 -5.698 9.027 9.743 1.00 0.00 N ATOM 1358 CA PRO A 89 -6.511 8.246 8.809 1.00 0.00 C ATOM 1359 C PRO A 89 -7.339 9.095 7.831 1.00 0.00 C ATOM 1360 O PRO A 89 -7.680 8.615 6.754 1.00 0.00 O ATOM 1361 CB PRO A 89 -7.409 7.380 9.697 1.00 0.00 C ATOM 1362 CG PRO A 89 -7.526 8.171 10.997 1.00 0.00 C ATOM 1363 CD PRO A 89 -6.155 8.830 11.113 1.00 0.00 C ATOM 0 HA PRO A 89 -5.868 7.659 8.153 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -8.385 7.219 9.240 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -6.971 6.397 9.867 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -8.327 8.909 10.951 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -7.737 7.523 11.848 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -6.220 9.779 11.645 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -5.463 8.199 11.670 1.00 0.00 H new ATOM 1371 N GLU A 90 -7.652 10.351 8.161 1.00 0.00 N ATOM 1372 CA GLU A 90 -8.483 11.242 7.334 1.00 0.00 C ATOM 1373 C GLU A 90 -7.873 11.521 5.944 1.00 0.00 C ATOM 1374 O GLU A 90 -8.515 11.172 4.951 1.00 0.00 O ATOM 1375 CB GLU A 90 -8.819 12.538 8.098 1.00 0.00 C ATOM 1376 CG GLU A 90 -9.869 12.304 9.189 1.00 0.00 C ATOM 1377 CD GLU A 90 -10.161 13.611 9.962 1.00 0.00 C ATOM 1378 OE1 GLU A 90 -10.921 14.464 9.446 1.00 0.00 O ATOM 1379 OE2 GLU A 90 -9.636 13.782 11.085 1.00 0.00 O ATOM 0 H GLU A 90 -7.331 10.789 9.025 1.00 0.00 H new ATOM 0 HA GLU A 90 -9.418 10.717 7.137 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.911 12.939 8.548 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.185 13.288 7.397 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -10.789 11.929 8.740 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.517 11.539 9.880 1.00 0.00 H new ATOM 1386 N PRO A 91 -6.641 12.065 5.820 1.00 0.00 N ATOM 1387 CA PRO A 91 -6.010 12.333 4.520 1.00 0.00 C ATOM 1388 C PRO A 91 -5.593 11.079 3.733 1.00 0.00 C ATOM 1389 O PRO A 91 -5.050 11.203 2.639 1.00 0.00 O ATOM 1390 CB PRO A 91 -4.788 13.202 4.830 1.00 0.00 C ATOM 1391 CG PRO A 91 -4.412 12.813 6.254 1.00 0.00 C ATOM 1392 CD PRO A 91 -5.762 12.509 6.898 1.00 0.00 C ATOM 0 HA PRO A 91 -6.735 12.820 3.868 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.972 13.007 4.134 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -5.024 14.264 4.755 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -3.752 11.946 6.274 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -3.893 13.621 6.769 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -5.663 11.737 7.662 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -6.166 13.394 7.389 1.00 0.00 H new ATOM 1400 N VAL A 92 -5.843 9.884 4.274 1.00 0.00 N ATOM 1401 CA VAL A 92 -5.585 8.574 3.659 1.00 0.00 C ATOM 1402 C VAL A 92 -6.899 7.975 3.146 1.00 0.00 C ATOM 1403 O VAL A 92 -7.021 7.668 1.961 1.00 0.00 O ATOM 1404 CB VAL A 92 -4.872 7.643 4.663 1.00 0.00 C ATOM 1405 CG1 VAL A 92 -4.423 6.343 3.987 1.00 0.00 C ATOM 1406 CG2 VAL A 92 -3.631 8.282 5.312 1.00 0.00 C ATOM 0 H VAL A 92 -6.253 9.797 5.204 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.920 8.694 2.804 1.00 0.00 H new ATOM 0 HB VAL A 92 -5.611 7.446 5.440 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.924 5.707 4.718 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.293 5.822 3.586 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.733 6.574 3.176 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.178 7.574 6.006 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -2.909 8.543 4.538 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.925 9.182 5.852 1.00 0.00 H new ATOM 1416 N LYS A 93 -7.920 7.849 4.002 1.00 0.00 N ATOM 1417 CA LYS A 93 -9.236 7.297 3.633 1.00 0.00 C ATOM 1418 C LYS A 93 -9.998 8.190 2.650 1.00 0.00 C ATOM 1419 O LYS A 93 -10.534 7.702 1.657 1.00 0.00 O ATOM 1420 CB LYS A 93 -10.089 7.019 4.889 1.00 0.00 C ATOM 1421 CG LYS A 93 -10.940 5.748 4.702 1.00 0.00 C ATOM 1422 CD LYS A 93 -12.294 5.725 5.429 1.00 0.00 C ATOM 1423 CE LYS A 93 -12.217 5.670 6.958 1.00 0.00 C ATOM 1424 NZ LYS A 93 -12.057 6.999 7.602 1.00 0.00 N ATOM 0 H LYS A 93 -7.859 8.129 4.981 1.00 0.00 H new ATOM 0 HA LYS A 93 -9.045 6.354 3.121 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -9.440 6.903 5.757 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -10.739 7.871 5.089 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -11.121 5.611 3.636 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -10.356 4.892 5.039 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -12.857 6.613 5.142 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -12.861 4.862 5.079 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -13.122 5.199 7.341 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -11.380 5.034 7.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -12.115 6.893 8.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -11.132 7.400 7.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -12.812 7.636 7.277 1.00 0.00 H new ATOM 1438 N ALA A 94 -10.034 9.498 2.914 1.00 0.00 N ATOM 1439 CA ALA A 94 -10.840 10.474 2.174 1.00 0.00 C ATOM 1440 C ALA A 94 -10.278 10.840 0.788 1.00 0.00 C ATOM 1441 O ALA A 94 -10.919 11.589 0.045 1.00 0.00 O ATOM 1442 CB ALA A 94 -11.003 11.729 3.034 1.00 0.00 C ATOM 0 H ALA A 94 -9.490 9.919 3.667 1.00 0.00 H new ATOM 0 HA ALA A 94 -11.804 10.006 1.975 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -11.601 12.464 2.495 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -11.503 11.468 3.967 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -10.022 12.150 3.253 1.00 0.00 H new ATOM 1448 N ILE A 95 -9.107 10.305 0.413 1.00 0.00 N ATOM 1449 CA ILE A 95 -8.581 10.379 -0.960 1.00 0.00 C ATOM 1450 C ILE A 95 -9.628 9.857 -1.966 1.00 0.00 C ATOM 1451 O ILE A 95 -9.784 10.431 -3.047 1.00 0.00 O ATOM 1452 CB ILE A 95 -7.242 9.614 -1.106 1.00 0.00 C ATOM 1453 CG1 ILE A 95 -6.183 10.075 -0.081 1.00 0.00 C ATOM 1454 CG2 ILE A 95 -6.664 9.810 -2.518 1.00 0.00 C ATOM 1455 CD1 ILE A 95 -4.938 9.177 -0.026 1.00 0.00 C ATOM 0 H ILE A 95 -8.494 9.805 1.057 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.377 11.427 -1.181 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.467 8.563 -0.923 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.875 11.092 -0.324 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.639 10.108 0.908 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -5.723 9.266 -2.605 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.371 9.432 -3.256 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.488 10.871 -2.695 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -4.241 9.566 0.717 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.232 8.164 0.248 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.456 9.163 -1.003 1.00 0.00 H new ATOM 1467 N CYS A 96 -10.395 8.823 -1.587 1.00 0.00 N ATOM 1468 CA CYS A 96 -11.510 8.297 -2.375 1.00 0.00 C ATOM 1469 C CYS A 96 -12.892 8.627 -1.777 1.00 0.00 C ATOM 1470 O CYS A 96 -13.032 8.902 -0.581 1.00 0.00 O ATOM 1471 CB CYS A 96 -11.313 6.791 -2.555 1.00 0.00 C ATOM 1472 SG CYS A 96 -11.364 5.774 -1.061 1.00 0.00 S ATOM 0 H CYS A 96 -10.252 8.324 -0.709 1.00 0.00 H new ATOM 0 HA CYS A 96 -11.503 8.791 -3.347 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -12.080 6.428 -3.239 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -10.351 6.631 -3.042 1.00 0.00 H new ATOM 1477 N LYS A 97 -13.925 8.573 -2.630 1.00 0.00 N ATOM 1478 CA LYS A 97 -15.339 8.842 -2.311 1.00 0.00 C ATOM 1479 C LYS A 97 -16.245 8.085 -3.290 1.00 0.00 C ATOM 1480 O LYS A 97 -16.313 8.430 -4.469 1.00 0.00 O ATOM 1481 CB LYS A 97 -15.579 10.369 -2.330 1.00 0.00 C ATOM 1482 CG LYS A 97 -16.886 10.838 -1.667 1.00 0.00 C ATOM 1483 CD LYS A 97 -18.160 10.578 -2.492 1.00 0.00 C ATOM 1484 CE LYS A 97 -19.385 11.311 -1.924 1.00 0.00 C ATOM 1485 NZ LYS A 97 -19.341 12.777 -2.179 1.00 0.00 N ATOM 0 H LYS A 97 -13.793 8.328 -3.611 1.00 0.00 H new ATOM 0 HA LYS A 97 -15.585 8.483 -1.312 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -14.742 10.858 -1.831 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -15.575 10.708 -3.366 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -16.987 10.339 -0.703 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -16.812 11.907 -1.467 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -17.994 10.896 -3.521 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -18.361 9.507 -2.518 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -20.290 10.896 -2.366 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -19.445 11.134 -0.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -20.212 13.218 -1.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -18.520 13.189 -1.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -19.260 12.949 -3.201 1.00 0.00 H new ATOM 1499 N GLY A 98 -16.891 7.018 -2.821 1.00 0.00 N ATOM 1500 CA GLY A 98 -17.810 6.186 -3.619 1.00 0.00 C ATOM 1501 C GLY A 98 -17.128 5.137 -4.509 1.00 0.00 C ATOM 1502 O GLY A 98 -17.805 4.459 -5.281 1.00 0.00 O ATOM 0 H GLY A 98 -16.793 6.696 -1.858 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -18.495 5.676 -2.942 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -18.413 6.839 -4.250 1.00 0.00 H new ATOM 1506 N ILE A 99 -15.800 4.987 -4.419 1.00 0.00 N ATOM 1507 CA ILE A 99 -15.002 4.076 -5.256 1.00 0.00 C ATOM 1508 C ILE A 99 -15.169 2.616 -4.805 1.00 0.00 C ATOM 1509 O ILE A 99 -14.771 2.238 -3.701 1.00 0.00 O ATOM 1510 CB ILE A 99 -13.517 4.514 -5.306 1.00 0.00 C ATOM 1511 CG1 ILE A 99 -13.417 5.939 -5.905 1.00 0.00 C ATOM 1512 CG2 ILE A 99 -12.701 3.505 -6.136 1.00 0.00 C ATOM 1513 CD1 ILE A 99 -11.994 6.480 -6.104 1.00 0.00 C ATOM 0 H ILE A 99 -15.236 5.507 -3.747 1.00 0.00 H new ATOM 0 HA ILE A 99 -15.381 4.135 -6.276 1.00 0.00 H new ATOM 0 HB ILE A 99 -13.105 4.534 -4.297 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -13.926 5.944 -6.869 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -13.959 6.625 -5.254 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -11.658 3.819 -6.167 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -12.769 2.518 -5.679 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -13.098 3.463 -7.150 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -12.042 7.483 -6.528 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -11.481 6.517 -5.143 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -11.447 5.825 -6.782 1.00 0.00 H new ATOM 1525 N ILE A 100 -15.737 1.791 -5.687 1.00 0.00 N ATOM 1526 CA ILE A 100 -15.876 0.324 -5.559 1.00 0.00 C ATOM 1527 C ILE A 100 -14.971 -0.411 -6.580 1.00 0.00 C ATOM 1528 O ILE A 100 -14.732 -1.613 -6.477 1.00 0.00 O ATOM 1529 CB ILE A 100 -17.372 -0.093 -5.676 1.00 0.00 C ATOM 1530 CG1 ILE A 100 -18.316 0.909 -4.962 1.00 0.00 C ATOM 1531 CG2 ILE A 100 -17.594 -1.490 -5.072 1.00 0.00 C ATOM 1532 CD1 ILE A 100 -19.802 0.528 -4.904 1.00 0.00 C ATOM 0 H ILE A 100 -16.136 2.139 -6.559 1.00 0.00 H new ATOM 0 HA ILE A 100 -15.535 0.022 -4.569 1.00 0.00 H new ATOM 0 HB ILE A 100 -17.610 -0.099 -6.740 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -17.959 1.046 -3.941 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -18.230 1.874 -5.462 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -18.645 -1.763 -5.163 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -16.982 -2.218 -5.605 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -17.312 -1.480 -4.019 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -20.357 1.307 -4.381 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -20.191 0.423 -5.917 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -19.915 -0.417 -4.373 1.00 0.00 H new ATOM 1544 N ALA A 101 -14.399 0.323 -7.540 1.00 0.00 N ATOM 1545 CA ALA A 101 -13.653 -0.161 -8.710 1.00 0.00 C ATOM 1546 C ALA A 101 -12.238 -0.726 -8.429 1.00 0.00 C ATOM 1547 O ALA A 101 -11.526 -1.078 -9.372 1.00 0.00 O ATOM 1548 CB ALA A 101 -13.588 1.003 -9.712 1.00 0.00 C ATOM 0 H ALA A 101 -14.447 1.342 -7.520 1.00 0.00 H new ATOM 0 HA ALA A 101 -14.190 -1.026 -9.100 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -13.041 0.688 -10.600 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -14.599 1.297 -9.994 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -13.078 1.850 -9.253 1.00 0.00 H new ATOM 1554 N SER A 102 -11.810 -0.814 -7.161 1.00 0.00 N ATOM 1555 CA SER A 102 -10.445 -1.175 -6.737 1.00 0.00 C ATOM 1556 C SER A 102 -9.360 -0.304 -7.412 1.00 0.00 C ATOM 1557 O SER A 102 -8.541 -0.780 -8.206 1.00 0.00 O ATOM 1558 CB SER A 102 -10.217 -2.685 -6.909 1.00 0.00 C ATOM 1559 OG SER A 102 -9.166 -3.131 -6.073 1.00 0.00 O ATOM 0 H SER A 102 -12.428 -0.629 -6.371 1.00 0.00 H new ATOM 0 HA SER A 102 -10.348 -0.953 -5.674 1.00 0.00 H new ATOM 0 HB2 SER A 102 -11.133 -3.226 -6.670 1.00 0.00 H new ATOM 0 HB3 SER A 102 -9.979 -2.906 -7.950 1.00 0.00 H new ATOM 0 HG SER A 102 -9.491 -3.853 -5.495 1.00 0.00 H new ATOM 1565 N LYS A 103 -9.372 1.006 -7.115 1.00 0.00 N ATOM 1566 CA LYS A 103 -8.441 2.039 -7.622 1.00 0.00 C ATOM 1567 C LYS A 103 -8.367 3.232 -6.659 1.00 0.00 C ATOM 1568 O LYS A 103 -9.271 3.431 -5.857 1.00 0.00 O ATOM 1569 CB LYS A 103 -8.914 2.467 -9.027 1.00 0.00 C ATOM 1570 CG LYS A 103 -7.933 3.413 -9.741 1.00 0.00 C ATOM 1571 CD LYS A 103 -8.231 3.542 -11.241 1.00 0.00 C ATOM 1572 CE LYS A 103 -7.235 4.522 -11.874 1.00 0.00 C ATOM 1573 NZ LYS A 103 -7.439 4.645 -13.342 1.00 0.00 N ATOM 0 H LYS A 103 -10.068 1.399 -6.481 1.00 0.00 H new ATOM 0 HA LYS A 103 -7.432 1.633 -7.690 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -9.060 1.577 -9.640 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -9.883 2.958 -8.942 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -7.981 4.399 -9.278 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -6.915 3.046 -9.606 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -8.156 2.567 -11.723 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -9.251 3.895 -11.392 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -7.343 5.502 -11.409 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -6.218 4.185 -11.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -6.747 5.316 -13.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -7.311 3.715 -13.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -8.402 4.990 -13.531 1.00 0.00 H new ATOM 1587 N ASN A 104 -7.310 4.038 -6.705 1.00 0.00 N ATOM 1588 CA ASN A 104 -7.265 5.372 -6.099 1.00 0.00 C ATOM 1589 C ASN A 104 -6.496 6.371 -6.989 1.00 0.00 C ATOM 1590 O ASN A 104 -6.174 6.074 -8.142 1.00 0.00 O ATOM 1591 CB ASN A 104 -6.638 5.254 -4.696 1.00 0.00 C ATOM 1592 CG ASN A 104 -7.269 6.170 -3.662 1.00 0.00 C ATOM 1593 OD1 ASN A 104 -7.937 7.140 -3.976 1.00 0.00 O ATOM 1594 ND2 ASN A 104 -7.066 5.883 -2.399 1.00 0.00 N ATOM 0 H ASN A 104 -6.441 3.780 -7.173 1.00 0.00 H new ATOM 0 HA ASN A 104 -8.278 5.765 -6.007 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -6.726 4.222 -4.355 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -5.573 5.478 -4.764 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -7.468 6.473 -1.671 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -6.506 5.069 -2.145 1.00 0.00 H new ATOM 1601 N VAL A 105 -6.167 7.539 -6.438 1.00 0.00 N ATOM 1602 CA VAL A 105 -5.221 8.508 -7.004 1.00 0.00 C ATOM 1603 C VAL A 105 -4.126 8.814 -5.976 1.00 0.00 C ATOM 1604 O VAL A 105 -4.374 8.827 -4.770 1.00 0.00 O ATOM 1605 CB VAL A 105 -5.981 9.763 -7.487 1.00 0.00 C ATOM 1606 CG1 VAL A 105 -6.644 10.562 -6.356 1.00 0.00 C ATOM 1607 CG2 VAL A 105 -5.087 10.699 -8.307 1.00 0.00 C ATOM 0 H VAL A 105 -6.565 7.851 -5.552 1.00 0.00 H new ATOM 0 HA VAL A 105 -4.723 8.093 -7.881 1.00 0.00 H new ATOM 0 HB VAL A 105 -6.775 9.370 -8.121 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -7.157 11.428 -6.775 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -7.364 9.929 -5.837 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.882 10.897 -5.652 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.664 11.567 -8.625 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -4.246 11.026 -7.696 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -4.714 10.170 -9.184 1.00 0.00 H new ATOM 1617 N LEU A 106 -2.902 9.050 -6.448 1.00 0.00 N ATOM 1618 CA LEU A 106 -1.794 9.593 -5.658 1.00 0.00 C ATOM 1619 C LEU A 106 -2.192 10.888 -4.921 1.00 0.00 C ATOM 1620 O LEU A 106 -2.904 11.734 -5.470 1.00 0.00 O ATOM 1621 CB LEU A 106 -0.624 9.848 -6.633 1.00 0.00 C ATOM 1622 CG LEU A 106 0.679 10.380 -6.016 1.00 0.00 C ATOM 1623 CD1 LEU A 106 1.363 9.340 -5.141 1.00 0.00 C ATOM 1624 CD2 LEU A 106 1.630 10.804 -7.129 1.00 0.00 C ATOM 0 H LEU A 106 -2.645 8.864 -7.418 1.00 0.00 H new ATOM 0 HA LEU A 106 -1.507 8.883 -4.882 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -0.401 8.914 -7.149 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -0.958 10.558 -7.389 1.00 0.00 H new ATOM 0 HG LEU A 106 0.423 11.231 -5.385 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.279 9.760 -4.726 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.696 9.052 -4.329 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.605 8.462 -5.740 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.555 11.182 -6.693 1.00 0.00 H new ATOM 0 HD22 LEU A 106 1.852 9.947 -7.764 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.164 11.587 -7.727 1.00 0.00 H new ATOM 1636 N THR A 107 -1.702 11.067 -3.692 1.00 0.00 N ATOM 1637 CA THR A 107 -1.871 12.320 -2.925 1.00 0.00 C ATOM 1638 C THR A 107 -1.177 13.538 -3.567 1.00 0.00 C ATOM 1639 O THR A 107 -0.413 13.424 -4.526 1.00 0.00 O ATOM 1640 CB THR A 107 -1.397 12.182 -1.461 1.00 0.00 C ATOM 1641 OG1 THR A 107 -0.700 10.990 -1.203 1.00 0.00 O ATOM 1642 CG2 THR A 107 -2.578 12.211 -0.494 1.00 0.00 C ATOM 0 H THR A 107 -1.175 10.350 -3.193 1.00 0.00 H new ATOM 0 HA THR A 107 -2.946 12.501 -2.940 1.00 0.00 H new ATOM 0 HB THR A 107 -0.728 13.030 -1.312 1.00 0.00 H new ATOM 0 HG1 THR A 107 -0.400 10.982 -0.270 1.00 0.00 H new ATOM 0 HG21 THR A 107 -2.214 12.112 0.528 1.00 0.00 H new ATOM 0 HG22 THR A 107 -3.111 13.156 -0.599 1.00 0.00 H new ATOM 0 HG23 THR A 107 -3.254 11.386 -0.720 1.00 0.00 H new ATOM 1650 N THR A 108 -1.416 14.728 -3.004 1.00 0.00 N ATOM 1651 CA THR A 108 -0.847 16.018 -3.463 1.00 0.00 C ATOM 1652 C THR A 108 -0.049 16.769 -2.381 1.00 0.00 C ATOM 1653 O THR A 108 0.878 17.520 -2.696 1.00 0.00 O ATOM 1654 CB THR A 108 -1.957 16.887 -4.085 1.00 0.00 C ATOM 1655 OG1 THR A 108 -1.404 17.994 -4.764 1.00 0.00 O ATOM 1656 CG2 THR A 108 -2.979 17.415 -3.073 1.00 0.00 C ATOM 0 H THR A 108 -2.026 14.832 -2.193 1.00 0.00 H new ATOM 0 HA THR A 108 -0.108 15.789 -4.231 1.00 0.00 H new ATOM 0 HB THR A 108 -2.481 16.222 -4.771 1.00 0.00 H new ATOM 0 HG1 THR A 108 -2.125 18.532 -5.153 1.00 0.00 H new ATOM 0 HG21 THR A 108 -3.726 18.017 -3.591 1.00 0.00 H new ATOM 0 HG22 THR A 108 -3.468 16.576 -2.578 1.00 0.00 H new ATOM 0 HG23 THR A 108 -2.471 18.028 -2.329 1.00 0.00 H new ATOM 1664 N SER A 109 -0.345 16.523 -1.098 1.00 0.00 N ATOM 1665 CA SER A 109 0.418 17.038 0.055 1.00 0.00 C ATOM 1666 C SER A 109 1.681 16.205 0.328 1.00 0.00 C ATOM 1667 O SER A 109 1.875 15.137 -0.249 1.00 0.00 O ATOM 1668 CB SER A 109 -0.472 17.061 1.306 1.00 0.00 C ATOM 1669 OG SER A 109 -1.527 17.998 1.153 1.00 0.00 O ATOM 0 H SER A 109 -1.140 15.947 -0.823 1.00 0.00 H new ATOM 0 HA SER A 109 0.736 18.051 -0.189 1.00 0.00 H new ATOM 0 HB2 SER A 109 -0.884 16.068 1.484 1.00 0.00 H new ATOM 0 HB3 SER A 109 0.127 17.319 2.180 1.00 0.00 H new ATOM 0 HG SER A 109 -2.084 17.997 1.959 1.00 0.00 H new ATOM 1675 N GLU A 110 2.546 16.681 1.225 1.00 0.00 N ATOM 1676 CA GLU A 110 3.824 16.047 1.573 1.00 0.00 C ATOM 1677 C GLU A 110 3.855 15.624 3.052 1.00 0.00 C ATOM 1678 O GLU A 110 3.862 16.465 3.954 1.00 0.00 O ATOM 1679 CB GLU A 110 5.000 16.969 1.210 1.00 0.00 C ATOM 1680 CG GLU A 110 4.929 17.474 -0.239 1.00 0.00 C ATOM 1681 CD GLU A 110 6.249 18.127 -0.697 1.00 0.00 C ATOM 1682 OE1 GLU A 110 6.686 19.130 -0.080 1.00 0.00 O ATOM 1683 OE2 GLU A 110 6.840 17.662 -1.702 1.00 0.00 O ATOM 0 H GLU A 110 2.375 17.542 1.745 1.00 0.00 H new ATOM 0 HA GLU A 110 3.927 15.135 0.985 1.00 0.00 H new ATOM 0 HB2 GLU A 110 5.011 17.822 1.888 1.00 0.00 H new ATOM 0 HB3 GLU A 110 5.937 16.432 1.358 1.00 0.00 H new ATOM 0 HG2 GLU A 110 4.690 16.641 -0.900 1.00 0.00 H new ATOM 0 HG3 GLU A 110 4.118 18.197 -0.330 1.00 0.00 H new ATOM 1690 N PHE A 111 3.844 14.311 3.298 1.00 0.00 N ATOM 1691 CA PHE A 111 3.763 13.684 4.625 1.00 0.00 C ATOM 1692 C PHE A 111 5.120 13.092 5.026 1.00 0.00 C ATOM 1693 O PHE A 111 5.969 12.857 4.161 1.00 0.00 O ATOM 1694 CB PHE A 111 2.694 12.580 4.602 1.00 0.00 C ATOM 1695 CG PHE A 111 1.394 12.961 3.918 1.00 0.00 C ATOM 1696 CD1 PHE A 111 1.299 12.854 2.518 1.00 0.00 C ATOM 1697 CD2 PHE A 111 0.276 13.389 4.658 1.00 0.00 C ATOM 1698 CE1 PHE A 111 0.108 13.181 1.860 1.00 0.00 C ATOM 1699 CE2 PHE A 111 -0.930 13.695 4.000 1.00 0.00 C ATOM 1700 CZ PHE A 111 -1.011 13.592 2.599 1.00 0.00 C ATOM 0 H PHE A 111 3.893 13.624 2.546 1.00 0.00 H new ATOM 0 HA PHE A 111 3.490 14.442 5.359 1.00 0.00 H new ATOM 0 HB2 PHE A 111 3.108 11.705 4.101 1.00 0.00 H new ATOM 0 HB3 PHE A 111 2.475 12.286 5.628 1.00 0.00 H new ATOM 0 HD1 PHE A 111 2.152 12.517 1.947 1.00 0.00 H new ATOM 0 HD2 PHE A 111 0.344 13.483 5.732 1.00 0.00 H new ATOM 0 HE1 PHE A 111 0.051 13.117 0.783 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.792 14.009 4.570 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.935 13.829 2.093 1.00 0.00 H new ATOM 1710 N TYR A 112 5.335 12.816 6.315 1.00 0.00 N ATOM 1711 CA TYR A 112 6.589 12.222 6.793 1.00 0.00 C ATOM 1712 C TYR A 112 6.681 10.752 6.360 1.00 0.00 C ATOM 1713 O TYR A 112 5.955 9.888 6.864 1.00 0.00 O ATOM 1714 CB TYR A 112 6.736 12.401 8.312 1.00 0.00 C ATOM 1715 CG TYR A 112 7.748 13.456 8.716 1.00 0.00 C ATOM 1716 CD1 TYR A 112 7.436 14.822 8.580 1.00 0.00 C ATOM 1717 CD2 TYR A 112 9.000 13.067 9.229 1.00 0.00 C ATOM 1718 CE1 TYR A 112 8.373 15.802 8.964 1.00 0.00 C ATOM 1719 CE2 TYR A 112 9.937 14.043 9.619 1.00 0.00 C ATOM 1720 CZ TYR A 112 9.626 15.414 9.489 1.00 0.00 C ATOM 1721 OH TYR A 112 10.537 16.352 9.873 1.00 0.00 O ATOM 0 H TYR A 112 4.653 12.995 7.052 1.00 0.00 H new ATOM 0 HA TYR A 112 7.428 12.746 6.336 1.00 0.00 H new ATOM 0 HB2 TYR A 112 5.765 12.665 8.732 1.00 0.00 H new ATOM 0 HB3 TYR A 112 7.026 11.447 8.753 1.00 0.00 H new ATOM 0 HD1 TYR A 112 6.477 15.119 8.181 1.00 0.00 H new ATOM 0 HD2 TYR A 112 9.242 12.019 9.324 1.00 0.00 H new ATOM 0 HE1 TYR A 112 8.133 16.850 8.857 1.00 0.00 H new ATOM 0 HE2 TYR A 112 10.895 13.743 10.018 1.00 0.00 H new ATOM 0 HH TYR A 112 11.342 15.907 10.211 1.00 0.00 H new ATOM 1731 N LEU A 113 7.563 10.481 5.398 1.00 0.00 N ATOM 1732 CA LEU A 113 7.825 9.158 4.831 1.00 0.00 C ATOM 1733 C LEU A 113 9.090 8.549 5.451 1.00 0.00 C ATOM 1734 O LEU A 113 10.187 9.107 5.362 1.00 0.00 O ATOM 1735 CB LEU A 113 7.893 9.265 3.294 1.00 0.00 C ATOM 1736 CG LEU A 113 6.626 8.792 2.555 1.00 0.00 C ATOM 1737 CD1 LEU A 113 6.497 7.270 2.596 1.00 0.00 C ATOM 1738 CD2 LEU A 113 5.316 9.395 3.061 1.00 0.00 C ATOM 0 H LEU A 113 8.139 11.208 4.974 1.00 0.00 H new ATOM 0 HA LEU A 113 7.010 8.476 5.073 1.00 0.00 H new ATOM 0 HB2 LEU A 113 8.087 10.303 3.025 1.00 0.00 H new ATOM 0 HB3 LEU A 113 8.742 8.680 2.941 1.00 0.00 H new ATOM 0 HG LEU A 113 6.771 9.150 1.536 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.594 6.967 2.066 1.00 0.00 H new ATOM 0 HD12 LEU A 113 7.366 6.818 2.118 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.439 6.938 3.632 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.484 9.000 2.478 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.178 9.136 4.111 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.350 10.479 2.956 1.00 0.00 H new ATOM 1750 N SER A 114 8.923 7.403 6.109 1.00 0.00 N ATOM 1751 CA SER A 114 9.949 6.741 6.920 1.00 0.00 C ATOM 1752 C SER A 114 10.202 5.322 6.408 1.00 0.00 C ATOM 1753 O SER A 114 9.459 4.387 6.705 1.00 0.00 O ATOM 1754 CB SER A 114 9.565 6.788 8.404 1.00 0.00 C ATOM 1755 OG SER A 114 10.502 6.062 9.188 1.00 0.00 O ATOM 0 H SER A 114 8.041 6.891 6.093 1.00 0.00 H new ATOM 0 HA SER A 114 10.893 7.277 6.824 1.00 0.00 H new ATOM 0 HB2 SER A 114 9.525 7.824 8.742 1.00 0.00 H new ATOM 0 HB3 SER A 114 8.568 6.370 8.540 1.00 0.00 H new ATOM 0 HG SER A 114 10.052 5.693 9.977 1.00 0.00 H new ATOM 1761 N ASP A 115 11.244 5.166 5.593 1.00 0.00 N ATOM 1762 CA ASP A 115 11.662 3.869 5.053 1.00 0.00 C ATOM 1763 C ASP A 115 12.743 3.223 5.939 1.00 0.00 C ATOM 1764 O ASP A 115 13.421 3.902 6.715 1.00 0.00 O ATOM 1765 CB ASP A 115 12.226 4.062 3.637 1.00 0.00 C ATOM 1766 CG ASP A 115 11.284 4.791 2.666 1.00 0.00 C ATOM 1767 OD1 ASP A 115 10.056 4.560 2.725 1.00 0.00 O ATOM 1768 OD2 ASP A 115 11.781 5.570 1.820 1.00 0.00 O ATOM 0 H ASP A 115 11.829 5.943 5.285 1.00 0.00 H new ATOM 0 HA ASP A 115 10.792 3.213 5.028 1.00 0.00 H new ATOM 0 HB2 ASP A 115 13.159 4.621 3.705 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.469 3.084 3.221 1.00 0.00 H new ATOM 1773 N CYS A 116 12.966 1.918 5.778 1.00 0.00 N ATOM 1774 CA CYS A 116 14.170 1.239 6.281 1.00 0.00 C ATOM 1775 C CYS A 116 14.516 -0.001 5.449 1.00 0.00 C ATOM 1776 O CYS A 116 13.812 -1.004 5.516 1.00 0.00 O ATOM 1777 CB CYS A 116 14.003 0.895 7.769 1.00 0.00 C ATOM 1778 SG CYS A 116 15.079 1.900 8.831 1.00 0.00 S ATOM 0 H CYS A 116 12.317 1.297 5.294 1.00 0.00 H new ATOM 0 HA CYS A 116 15.012 1.924 6.180 1.00 0.00 H new ATOM 0 HB2 CYS A 116 12.964 1.047 8.061 1.00 0.00 H new ATOM 0 HB3 CYS A 116 14.227 -0.161 7.923 1.00 0.00 H new ATOM 1783 N ASN A 117 15.584 0.072 4.649 1.00 0.00 N ATOM 1784 CA ASN A 117 16.061 -1.022 3.792 1.00 0.00 C ATOM 1785 C ASN A 117 17.120 -1.871 4.512 1.00 0.00 C ATOM 1786 O ASN A 117 18.059 -1.320 5.089 1.00 0.00 O ATOM 1787 CB ASN A 117 16.632 -0.426 2.493 1.00 0.00 C ATOM 1788 CG ASN A 117 15.560 0.064 1.536 1.00 0.00 C ATOM 1789 OD1 ASN A 117 15.112 -0.654 0.657 1.00 0.00 O ATOM 1790 ND2 ASN A 117 15.129 1.300 1.654 1.00 0.00 N ATOM 0 H ASN A 117 16.156 0.913 4.576 1.00 0.00 H new ATOM 0 HA ASN A 117 15.225 -1.680 3.556 1.00 0.00 H new ATOM 0 HB2 ASN A 117 17.294 0.404 2.742 1.00 0.00 H new ATOM 0 HB3 ASN A 117 17.240 -1.179 1.992 1.00 0.00 H new ATOM 0 HD21 ASN A 117 14.422 1.657 1.012 1.00 0.00 H new ATOM 0 HD22 ASN A 117 15.502 1.902 2.388 1.00 0.00 H new ATOM 1797 N VAL A 118 16.978 -3.201 4.468 1.00 0.00 N ATOM 1798 CA VAL A 118 17.902 -4.185 5.076 1.00 0.00 C ATOM 1799 C VAL A 118 19.339 -4.018 4.563 1.00 0.00 C ATOM 1800 O VAL A 118 19.561 -3.669 3.400 1.00 0.00 O ATOM 1801 CB VAL A 118 17.384 -5.620 4.819 1.00 0.00 C ATOM 1802 CG1 VAL A 118 18.410 -6.744 5.028 1.00 0.00 C ATOM 1803 CG2 VAL A 118 16.211 -5.942 5.745 1.00 0.00 C ATOM 0 H VAL A 118 16.192 -3.644 3.993 1.00 0.00 H new ATOM 0 HA VAL A 118 17.929 -4.003 6.150 1.00 0.00 H new ATOM 0 HB VAL A 118 17.110 -5.603 3.764 1.00 0.00 H new ATOM 0 HG11 VAL A 118 17.942 -7.707 4.821 1.00 0.00 H new ATOM 0 HG12 VAL A 118 19.253 -6.597 4.353 1.00 0.00 H new ATOM 0 HG13 VAL A 118 18.764 -6.727 6.059 1.00 0.00 H new ATOM 0 HG21 VAL A 118 15.860 -6.955 5.549 1.00 0.00 H new ATOM 0 HG22 VAL A 118 16.535 -5.864 6.783 1.00 0.00 H new ATOM 0 HG23 VAL A 118 15.400 -5.236 5.564 1.00 0.00 H new ATOM 1813 N THR A 119 20.322 -4.320 5.419 1.00 0.00 N ATOM 1814 CA THR A 119 21.765 -4.242 5.111 1.00 0.00 C ATOM 1815 C THR A 119 22.442 -5.614 5.217 1.00 0.00 C ATOM 1816 O THR A 119 22.960 -6.001 6.271 1.00 0.00 O ATOM 1817 CB THR A 119 22.479 -3.176 5.962 1.00 0.00 C ATOM 1818 OG1 THR A 119 22.325 -3.407 7.342 1.00 0.00 O ATOM 1819 CG2 THR A 119 21.922 -1.784 5.693 1.00 0.00 C ATOM 0 H THR A 119 20.137 -4.634 6.372 1.00 0.00 H new ATOM 0 HA THR A 119 21.854 -3.923 4.073 1.00 0.00 H new ATOM 0 HB THR A 119 23.530 -3.240 5.681 1.00 0.00 H new ATOM 0 HG1 THR A 119 22.473 -4.357 7.533 1.00 0.00 H new ATOM 0 HG21 THR A 119 22.448 -1.056 6.310 1.00 0.00 H new ATOM 0 HG22 THR A 119 22.059 -1.534 4.641 1.00 0.00 H new ATOM 0 HG23 THR A 119 20.859 -1.764 5.935 1.00 0.00 H new ATOM 1827 N SER A 120 22.408 -6.373 4.115 1.00 0.00 N ATOM 1828 CA SER A 120 23.103 -7.663 3.932 1.00 0.00 C ATOM 1829 C SER A 120 24.639 -7.557 3.935 1.00 0.00 C ATOM 1830 O SER A 120 25.291 -8.568 4.282 1.00 0.00 O ATOM 1831 CB SER A 120 22.603 -8.358 2.659 1.00 0.00 C ATOM 1832 OG SER A 120 22.686 -7.484 1.540 1.00 0.00 O ATOM 1833 OXT SER A 120 25.196 -6.479 3.613 1.00 0.00 O ATOM 0 H SER A 120 21.875 -6.098 3.290 1.00 0.00 H new ATOM 0 HA SER A 120 22.854 -8.269 4.803 1.00 0.00 H new ATOM 0 HB2 SER A 120 23.196 -9.253 2.471 1.00 0.00 H new ATOM 0 HB3 SER A 120 21.571 -8.682 2.797 1.00 0.00 H new ATOM 0 HG SER A 120 22.364 -7.947 0.739 1.00 0.00 H new