USER MOD reduce.3.24.130724 H: found=0, std=0, add=898, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 900 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 Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 12 CYS SG : rot -80:sc= -4.41! USER MOD Single : A 15 THR OG1 : rot 160:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -1.26 K(o=-1.3,f=-2.3!) USER MOD Single : A 18 SER OG : rot 98:sc= 1.27 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -2.2! K(o=-2.2!,f=-0.68) USER MOD Single : A 25 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0604) USER MOD Single : A 31 ASN : amide:sc= -1.92! K(o=-1.9!,f=-0.069) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc= -0.388 K(o=-0.39,f=-8.4!) USER MOD Single : A 42 CYS SG : rot -160:sc= -2.67 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl -160:sc= -0.12 (180deg=-0.651) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 165:sc= 1.22 (180deg=1.09) USER MOD Single : A 64 MET CE :methyl -127:sc= -1.35 (180deg=-2.62!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.914 K(o=-0.91,f=0) USER MOD Single : A 84 MET CE :methyl 134:sc= -1.91 (180deg=-8.22!) USER MOD Single : A 89 GLN : amide:sc= -0.21 X(o=-0.21,f=0) USER MOD Single : A 90 THR OG1 : rot 180:sc=-0.000366 USER MOD Single : A 105 SER OG : rot 62:sc= 1.24 USER MOD Single : A 106 ASN : amide:sc= -1.53 K(o=-1.5,f=-0.0038) USER MOD Single : A 107 HIS : no HD1:sc= 0.868 K(o=0.87,f=-6!) USER MOD Single : A 112 CYS SG : rot -8:sc= -4.61! USER MOD Single : A 116 LYS NZ :NH3+ -172:sc= -2.51! (180deg=-2.76!) USER MOD Single : A 118 HIS : no HE2:sc= -0.99! C(o=-0.99!,f=-4.6!) USER MOD Single : A 121 MET CE :methyl -162:sc= -1.12 (180deg=-2.57!) USER MOD ----------------------------------------------------------------- ATOM 59 N ALA A 5 -11.170 11.445 -10.537 1.00 0.00 N ATOM 60 CA ALA A 5 -10.585 10.707 -9.430 1.00 0.00 C ATOM 61 C ALA A 5 -9.345 9.948 -9.889 1.00 0.00 C ATOM 62 O ALA A 5 -9.417 9.101 -10.779 1.00 0.00 O ATOM 63 CB ALA A 5 -11.604 9.756 -8.829 1.00 0.00 C ATOM 0 HA ALA A 5 -10.284 11.418 -8.661 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -11.150 9.211 -8.001 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -12.460 10.323 -8.463 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -11.935 9.049 -9.590 1.00 0.00 H new ATOM 69 N TYR A 6 -8.216 10.265 -9.278 1.00 0.00 N ATOM 70 CA TYR A 6 -6.942 9.650 -9.630 1.00 0.00 C ATOM 71 C TYR A 6 -6.641 8.518 -8.660 1.00 0.00 C ATOM 72 O TYR A 6 -6.922 8.636 -7.472 1.00 0.00 O ATOM 73 CB TYR A 6 -5.818 10.688 -9.574 1.00 0.00 C ATOM 74 CG TYR A 6 -6.186 12.019 -10.190 1.00 0.00 C ATOM 75 CD1 TYR A 6 -5.977 12.270 -11.540 1.00 0.00 C ATOM 76 CD2 TYR A 6 -6.740 13.027 -9.415 1.00 0.00 C ATOM 77 CE1 TYR A 6 -6.311 13.493 -12.097 1.00 0.00 C ATOM 78 CE2 TYR A 6 -7.075 14.248 -9.961 1.00 0.00 C ATOM 79 CZ TYR A 6 -6.859 14.478 -11.301 1.00 0.00 C ATOM 80 OH TYR A 6 -7.181 15.702 -11.841 1.00 0.00 O ATOM 0 H TYR A 6 -8.154 10.952 -8.527 1.00 0.00 H new ATOM 0 HA TYR A 6 -7.006 9.256 -10.644 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -5.533 10.846 -8.534 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -4.943 10.290 -10.087 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -5.548 11.500 -12.164 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -6.912 12.852 -8.363 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -6.144 13.675 -13.148 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -7.505 15.020 -9.340 1.00 0.00 H new ATOM 0 HH TYR A 6 -7.557 16.278 -11.144 1.00 0.00 H new ATOM 90 N GLN A 7 -6.087 7.424 -9.159 1.00 0.00 N ATOM 91 CA GLN A 7 -5.802 6.261 -8.323 1.00 0.00 C ATOM 92 C GLN A 7 -4.305 6.145 -8.025 1.00 0.00 C ATOM 93 O GLN A 7 -3.542 5.632 -8.847 1.00 0.00 O ATOM 94 CB GLN A 7 -6.306 4.987 -9.006 1.00 0.00 C ATOM 95 CG GLN A 7 -7.807 4.994 -9.253 1.00 0.00 C ATOM 96 CD GLN A 7 -8.279 3.820 -10.089 1.00 0.00 C ATOM 97 OE1 GLN A 7 -7.690 2.741 -10.067 1.00 0.00 O ATOM 98 NE2 GLN A 7 -9.344 4.032 -10.843 1.00 0.00 N ATOM 0 H GLN A 7 -5.825 7.314 -10.138 1.00 0.00 H new ATOM 0 HA GLN A 7 -6.324 6.389 -7.375 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -5.788 4.863 -9.957 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -6.050 4.126 -8.389 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -8.327 4.982 -8.295 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -8.082 5.922 -9.753 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -9.804 4.943 -10.832 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -9.706 3.285 -11.436 1.00 0.00 H new ATOM 107 N PRO A 8 -3.863 6.663 -6.861 1.00 0.00 N ATOM 108 CA PRO A 8 -2.466 6.577 -6.424 1.00 0.00 C ATOM 109 C PRO A 8 -2.074 5.171 -5.988 1.00 0.00 C ATOM 110 O PRO A 8 -1.180 4.558 -6.585 1.00 0.00 O ATOM 111 CB PRO A 8 -2.385 7.542 -5.230 1.00 0.00 C ATOM 112 CG PRO A 8 -3.670 8.299 -5.236 1.00 0.00 C ATOM 113 CD PRO A 8 -4.678 7.399 -5.892 1.00 0.00 C ATOM 0 HA PRO A 8 -1.784 6.828 -7.236 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.255 6.998 -4.295 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.533 8.215 -5.328 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.977 8.555 -4.222 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.568 9.236 -5.784 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.155 6.732 -5.174 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.473 7.966 -6.377 1.00 0.00 H new ATOM 121 N ILE A 9 -2.735 4.678 -4.936 1.00 0.00 N ATOM 122 CA ILE A 9 -2.446 3.352 -4.391 1.00 0.00 C ATOM 123 C ILE A 9 -3.639 2.405 -4.591 1.00 0.00 C ATOM 124 O ILE A 9 -4.776 2.848 -4.773 1.00 0.00 O ATOM 125 CB ILE A 9 -2.100 3.413 -2.889 1.00 0.00 C ATOM 126 CG1 ILE A 9 -1.206 4.609 -2.582 1.00 0.00 C ATOM 127 CG2 ILE A 9 -1.398 2.134 -2.451 1.00 0.00 C ATOM 128 CD1 ILE A 9 -0.863 4.731 -1.115 1.00 0.00 C ATOM 0 H ILE A 9 -3.475 5.180 -4.445 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.581 2.972 -4.934 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.035 3.520 -2.338 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.285 4.524 -3.159 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.704 5.521 -2.910 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.161 2.194 -1.389 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.052 1.281 -2.629 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.477 2.011 -3.021 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -0.225 5.601 -0.962 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -1.779 4.846 -0.536 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -0.338 3.834 -0.788 1.00 0.00 H new ATOM 140 N ALA A 10 -3.369 1.104 -4.529 1.00 0.00 N ATOM 141 CA ALA A 10 -4.346 0.071 -4.865 1.00 0.00 C ATOM 142 C ALA A 10 -5.477 -0.075 -3.840 1.00 0.00 C ATOM 143 O ALA A 10 -6.653 0.014 -4.198 1.00 0.00 O ATOM 144 CB ALA A 10 -3.631 -1.258 -5.028 1.00 0.00 C ATOM 0 H ALA A 10 -2.462 0.734 -4.243 1.00 0.00 H new ATOM 0 HA ALA A 10 -4.819 0.381 -5.796 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.356 -2.033 -5.279 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.893 -1.179 -5.827 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.130 -1.518 -4.096 1.00 0.00 H new ATOM 150 N GLU A 11 -5.130 -0.326 -2.580 1.00 0.00 N ATOM 151 CA GLU A 11 -6.132 -0.654 -1.562 1.00 0.00 C ATOM 152 C GLU A 11 -7.055 0.532 -1.283 1.00 0.00 C ATOM 153 O GLU A 11 -8.275 0.370 -1.224 1.00 0.00 O ATOM 154 CB GLU A 11 -5.467 -1.163 -0.265 1.00 0.00 C ATOM 155 CG GLU A 11 -4.674 -0.124 0.519 1.00 0.00 C ATOM 156 CD GLU A 11 -3.615 0.555 -0.315 1.00 0.00 C ATOM 157 OE1 GLU A 11 -2.702 -0.140 -0.800 1.00 0.00 O ATOM 158 OE2 GLU A 11 -3.725 1.780 -0.522 1.00 0.00 O ATOM 0 H GLU A 11 -4.169 -0.309 -2.238 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.748 -1.462 -1.958 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.242 -1.569 0.385 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.800 -1.987 -0.519 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.358 0.628 0.912 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.202 -0.604 1.376 1.00 0.00 H new ATOM 165 N CYS A 12 -6.482 1.718 -1.139 1.00 0.00 N ATOM 166 CA CYS A 12 -7.267 2.917 -0.894 1.00 0.00 C ATOM 167 C CYS A 12 -8.095 3.288 -2.119 1.00 0.00 C ATOM 168 O CYS A 12 -9.269 3.652 -2.001 1.00 0.00 O ATOM 169 CB CYS A 12 -6.352 4.064 -0.494 1.00 0.00 C ATOM 170 SG CYS A 12 -4.894 4.241 -1.541 1.00 0.00 S ATOM 0 H CYS A 12 -5.475 1.875 -1.188 1.00 0.00 H new ATOM 0 HA CYS A 12 -7.958 2.717 -0.075 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -6.920 4.994 -0.520 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -6.030 3.916 0.537 1.00 0.00 H new ATOM 0 HG CYS A 12 -3.989 3.382 -1.174 1.00 0.00 H new ATOM 176 N GLY A 13 -7.492 3.187 -3.296 1.00 0.00 N ATOM 177 CA GLY A 13 -8.236 3.390 -4.518 1.00 0.00 C ATOM 178 C GLY A 13 -8.069 4.778 -5.099 1.00 0.00 C ATOM 179 O GLY A 13 -6.950 5.251 -5.293 1.00 0.00 O ATOM 0 H GLY A 13 -6.504 2.969 -3.424 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -7.916 2.654 -5.256 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.294 3.209 -4.325 1.00 0.00 H new ATOM 183 N ALA A 14 -9.188 5.431 -5.372 1.00 0.00 N ATOM 184 CA ALA A 14 -9.175 6.714 -6.058 1.00 0.00 C ATOM 185 C ALA A 14 -9.254 7.879 -5.080 1.00 0.00 C ATOM 186 O ALA A 14 -9.904 7.798 -4.038 1.00 0.00 O ATOM 187 CB ALA A 14 -10.323 6.785 -7.056 1.00 0.00 C ATOM 0 H ALA A 14 -10.119 5.093 -5.128 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.228 6.796 -6.591 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.304 7.749 -7.564 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.217 5.986 -7.790 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -11.270 6.671 -6.529 1.00 0.00 H new ATOM 193 N THR A 15 -8.571 8.957 -5.427 1.00 0.00 N ATOM 194 CA THR A 15 -8.590 10.181 -4.651 1.00 0.00 C ATOM 195 C THR A 15 -8.700 11.383 -5.588 1.00 0.00 C ATOM 196 O THR A 15 -7.928 11.511 -6.540 1.00 0.00 O ATOM 197 CB THR A 15 -7.308 10.308 -3.802 1.00 0.00 C ATOM 198 OG1 THR A 15 -7.094 9.100 -3.066 1.00 0.00 O ATOM 199 CG2 THR A 15 -7.397 11.478 -2.833 1.00 0.00 C ATOM 0 H THR A 15 -7.985 9.006 -6.260 1.00 0.00 H new ATOM 0 HA THR A 15 -9.451 10.154 -3.984 1.00 0.00 H new ATOM 0 HB THR A 15 -6.473 10.486 -4.480 1.00 0.00 H new ATOM 0 HG1 THR A 15 -6.155 9.046 -2.791 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.478 11.539 -2.251 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.534 12.404 -3.392 1.00 0.00 H new ATOM 0 HG23 THR A 15 -8.243 11.331 -2.161 1.00 0.00 H new ATOM 207 N THR A 16 -9.666 12.251 -5.332 1.00 0.00 N ATOM 208 CA THR A 16 -9.872 13.414 -6.174 1.00 0.00 C ATOM 209 C THR A 16 -8.991 14.578 -5.715 1.00 0.00 C ATOM 210 O THR A 16 -9.413 15.434 -4.935 1.00 0.00 O ATOM 211 CB THR A 16 -11.355 13.839 -6.184 1.00 0.00 C ATOM 212 OG1 THR A 16 -12.180 12.697 -6.448 1.00 0.00 O ATOM 213 CG2 THR A 16 -11.614 14.902 -7.243 1.00 0.00 C ATOM 0 H THR A 16 -10.316 12.171 -4.550 1.00 0.00 H new ATOM 0 HA THR A 16 -9.589 13.141 -7.191 1.00 0.00 H new ATOM 0 HB THR A 16 -11.596 14.258 -5.207 1.00 0.00 H new ATOM 0 HG1 THR A 16 -13.122 12.968 -6.452 1.00 0.00 H new ATOM 0 HG21 THR A 16 -12.667 15.182 -7.227 1.00 0.00 H new ATOM 0 HG22 THR A 16 -11.002 15.780 -7.035 1.00 0.00 H new ATOM 0 HG23 THR A 16 -11.359 14.506 -8.226 1.00 0.00 H new ATOM 221 N GLN A 17 -7.746 14.563 -6.169 1.00 0.00 N ATOM 222 CA GLN A 17 -6.799 15.632 -5.891 1.00 0.00 C ATOM 223 C GLN A 17 -5.859 15.783 -7.076 1.00 0.00 C ATOM 224 O GLN A 17 -5.240 14.810 -7.499 1.00 0.00 O ATOM 225 CB GLN A 17 -5.996 15.338 -4.618 1.00 0.00 C ATOM 226 CG GLN A 17 -4.987 16.424 -4.277 1.00 0.00 C ATOM 227 CD GLN A 17 -4.214 16.154 -2.998 1.00 0.00 C ATOM 228 OE1 GLN A 17 -3.047 16.515 -2.889 1.00 0.00 O ATOM 229 NE2 GLN A 17 -4.857 15.542 -2.010 1.00 0.00 N ATOM 0 H GLN A 17 -7.364 13.809 -6.740 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.350 16.559 -5.733 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -6.685 15.217 -3.782 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -5.472 14.390 -4.739 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -4.283 16.527 -5.103 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -5.509 17.376 -4.183 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.828 15.255 -2.134 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.380 15.359 -1.127 1.00 0.00 H new ATOM 238 N SER A 18 -5.751 16.997 -7.598 1.00 0.00 N ATOM 239 CA SER A 18 -4.974 17.260 -8.809 1.00 0.00 C ATOM 240 C SER A 18 -3.524 16.788 -8.681 1.00 0.00 C ATOM 241 O SER A 18 -2.896 16.412 -9.673 1.00 0.00 O ATOM 242 CB SER A 18 -5.021 18.753 -9.147 1.00 0.00 C ATOM 243 OG SER A 18 -4.763 19.551 -8.001 1.00 0.00 O ATOM 0 H SER A 18 -6.195 17.825 -7.200 1.00 0.00 H new ATOM 0 HA SER A 18 -5.427 16.689 -9.620 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.286 18.976 -9.921 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.000 19.005 -9.555 1.00 0.00 H new ATOM 0 HG SER A 18 -3.821 19.823 -7.997 1.00 0.00 H new ATOM 249 N GLU A 19 -3.010 16.772 -7.456 1.00 0.00 N ATOM 250 CA GLU A 19 -1.619 16.404 -7.220 1.00 0.00 C ATOM 251 C GLU A 19 -1.424 14.895 -7.307 1.00 0.00 C ATOM 252 O GLU A 19 -0.325 14.419 -7.581 1.00 0.00 O ATOM 253 CB GLU A 19 -1.145 16.917 -5.855 1.00 0.00 C ATOM 254 CG GLU A 19 -0.784 18.398 -5.830 1.00 0.00 C ATOM 255 CD GLU A 19 -1.954 19.316 -6.132 1.00 0.00 C ATOM 256 OE1 GLU A 19 -2.198 19.607 -7.322 1.00 0.00 O ATOM 257 OE2 GLU A 19 -2.626 19.766 -5.183 1.00 0.00 O ATOM 0 H GLU A 19 -3.534 17.009 -6.613 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.019 16.872 -8.000 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.928 16.734 -5.120 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.275 16.338 -5.545 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.381 18.648 -4.849 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.008 18.582 -6.556 1.00 0.00 H new ATOM 264 N ALA A 20 -2.505 14.145 -7.113 1.00 0.00 N ATOM 265 CA ALA A 20 -2.435 12.687 -7.094 1.00 0.00 C ATOM 266 C ALA A 20 -2.037 12.128 -8.454 1.00 0.00 C ATOM 267 O ALA A 20 -1.407 11.075 -8.543 1.00 0.00 O ATOM 268 CB ALA A 20 -3.766 12.098 -6.650 1.00 0.00 C ATOM 0 H ALA A 20 -3.441 14.523 -6.967 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.664 12.402 -6.378 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.698 11.010 -6.641 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.006 12.455 -5.648 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.549 12.407 -7.342 1.00 0.00 H new ATOM 274 N ALA A 21 -2.376 12.864 -9.504 1.00 0.00 N ATOM 275 CA ALA A 21 -2.131 12.423 -10.872 1.00 0.00 C ATOM 276 C ALA A 21 -0.643 12.230 -11.156 1.00 0.00 C ATOM 277 O ALA A 21 -0.268 11.500 -12.072 1.00 0.00 O ATOM 278 CB ALA A 21 -2.721 13.421 -11.852 1.00 0.00 C ATOM 0 H ALA A 21 -2.825 13.777 -9.434 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.616 11.455 -10.996 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.534 13.084 -12.872 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.796 13.500 -11.688 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.258 14.396 -11.701 1.00 0.00 H new ATOM 284 N ALA A 22 0.201 12.880 -10.369 1.00 0.00 N ATOM 285 CA ALA A 22 1.636 12.823 -10.596 1.00 0.00 C ATOM 286 C ALA A 22 2.304 11.744 -9.751 1.00 0.00 C ATOM 287 O ALA A 22 3.369 11.242 -10.108 1.00 0.00 O ATOM 288 CB ALA A 22 2.261 14.176 -10.306 1.00 0.00 C ATOM 0 H ALA A 22 -0.081 13.450 -9.572 1.00 0.00 H new ATOM 0 HA ALA A 22 1.795 12.564 -11.643 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.336 14.125 -10.478 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.823 14.927 -10.963 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.073 14.449 -9.268 1.00 0.00 H new ATOM 294 N TYR A 23 1.675 11.368 -8.644 1.00 0.00 N ATOM 295 CA TYR A 23 2.312 10.463 -7.694 1.00 0.00 C ATOM 296 C TYR A 23 1.650 9.090 -7.701 1.00 0.00 C ATOM 297 O TYR A 23 2.004 8.218 -6.911 1.00 0.00 O ATOM 298 CB TYR A 23 2.277 11.059 -6.284 1.00 0.00 C ATOM 299 CG TYR A 23 2.894 12.438 -6.195 1.00 0.00 C ATOM 300 CD1 TYR A 23 4.269 12.620 -6.296 1.00 0.00 C ATOM 301 CD2 TYR A 23 2.098 13.559 -6.015 1.00 0.00 C ATOM 302 CE1 TYR A 23 4.829 13.882 -6.218 1.00 0.00 C ATOM 303 CE2 TYR A 23 2.650 14.822 -5.937 1.00 0.00 C ATOM 304 CZ TYR A 23 4.014 14.979 -6.039 1.00 0.00 C ATOM 305 OH TYR A 23 4.562 16.240 -5.966 1.00 0.00 O ATOM 0 H TYR A 23 0.736 11.671 -8.384 1.00 0.00 H new ATOM 0 HA TYR A 23 3.350 10.336 -8.002 1.00 0.00 H new ATOM 0 HB2 TYR A 23 1.242 11.110 -5.946 1.00 0.00 H new ATOM 0 HB3 TYR A 23 2.802 10.390 -5.602 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.910 11.762 -6.438 1.00 0.00 H new ATOM 0 HD2 TYR A 23 1.027 13.442 -5.934 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.899 14.007 -6.297 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.014 15.684 -5.796 1.00 0.00 H new ATOM 0 HH TYR A 23 3.849 16.900 -5.840 1.00 0.00 H new ATOM 315 N GLN A 24 0.694 8.900 -8.599 1.00 0.00 N ATOM 316 CA GLN A 24 0.018 7.616 -8.718 1.00 0.00 C ATOM 317 C GLN A 24 0.902 6.630 -9.477 1.00 0.00 C ATOM 318 O GLN A 24 1.567 7.016 -10.442 1.00 0.00 O ATOM 319 CB GLN A 24 -1.349 7.792 -9.401 1.00 0.00 C ATOM 320 CG GLN A 24 -1.289 8.253 -10.852 1.00 0.00 C ATOM 321 CD GLN A 24 -1.179 7.100 -11.835 1.00 0.00 C ATOM 322 OE1 GLN A 24 -0.573 7.231 -12.901 1.00 0.00 O ATOM 323 NE2 GLN A 24 -1.771 5.964 -11.489 1.00 0.00 N ATOM 0 H GLN A 24 0.370 9.614 -9.252 1.00 0.00 H new ATOM 0 HA GLN A 24 -0.161 7.210 -7.722 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.884 6.843 -9.359 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.933 8.514 -8.830 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.182 8.834 -11.080 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.435 8.917 -10.982 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -2.263 5.896 -10.598 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -1.734 5.159 -12.114 1.00 0.00 H new ATOM 332 N LYS A 25 0.900 5.367 -9.056 1.00 0.00 N ATOM 333 CA LYS A 25 1.789 4.352 -9.634 1.00 0.00 C ATOM 334 C LYS A 25 1.308 2.959 -9.261 1.00 0.00 C ATOM 335 O LYS A 25 0.206 2.797 -8.740 1.00 0.00 O ATOM 336 CB LYS A 25 3.234 4.523 -9.129 1.00 0.00 C ATOM 337 CG LYS A 25 4.016 5.633 -9.812 1.00 0.00 C ATOM 338 CD LYS A 25 5.398 5.804 -9.204 1.00 0.00 C ATOM 339 CE LYS A 25 6.145 6.966 -9.841 1.00 0.00 C ATOM 340 NZ LYS A 25 6.435 6.734 -11.284 1.00 0.00 N ATOM 0 H LYS A 25 0.292 5.018 -8.315 1.00 0.00 H new ATOM 0 HA LYS A 25 1.771 4.479 -10.716 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.209 4.720 -8.057 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.767 3.582 -9.268 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.111 5.410 -10.875 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.464 6.570 -9.731 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.307 5.973 -8.131 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.971 4.886 -9.335 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.555 7.876 -9.734 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.081 7.129 -9.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.059 7.487 -11.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.903 5.813 -11.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.545 6.740 -11.822 1.00 0.00 H new ATOM 354 N ARG A 26 2.133 1.950 -9.538 1.00 0.00 N ATOM 355 CA ARG A 26 1.815 0.586 -9.143 1.00 0.00 C ATOM 356 C ARG A 26 2.115 0.379 -7.669 1.00 0.00 C ATOM 357 O ARG A 26 3.108 -0.251 -7.291 1.00 0.00 O ATOM 358 CB ARG A 26 2.564 -0.431 -10.001 1.00 0.00 C ATOM 359 CG ARG A 26 2.000 -0.546 -11.402 1.00 0.00 C ATOM 360 CD ARG A 26 2.781 -1.534 -12.247 1.00 0.00 C ATOM 361 NE ARG A 26 2.137 -1.745 -13.542 1.00 0.00 N ATOM 362 CZ ARG A 26 2.532 -1.173 -14.676 1.00 0.00 C ATOM 363 NH1 ARG A 26 3.576 -0.351 -14.675 1.00 0.00 N ATOM 364 NH2 ARG A 26 1.873 -1.417 -15.801 1.00 0.00 N ATOM 0 H ARG A 26 3.020 2.054 -10.031 1.00 0.00 H new ATOM 0 HA ARG A 26 0.749 0.427 -9.305 1.00 0.00 H new ATOM 0 HB2 ARG A 26 3.615 -0.147 -10.059 1.00 0.00 H new ATOM 0 HB3 ARG A 26 2.524 -1.407 -9.517 1.00 0.00 H new ATOM 0 HG2 ARG A 26 0.957 -0.859 -11.349 1.00 0.00 H new ATOM 0 HG3 ARG A 26 2.015 0.433 -11.881 1.00 0.00 H new ATOM 0 HD2 ARG A 26 3.796 -1.165 -12.398 1.00 0.00 H new ATOM 0 HD3 ARG A 26 2.862 -2.484 -11.719 1.00 0.00 H new ATOM 0 HE ARG A 26 1.333 -2.371 -13.578 1.00 0.00 H new ATOM 0 HH11 ARG A 26 4.073 -0.159 -13.805 1.00 0.00 H new ATOM 0 HH12 ARG A 26 3.880 0.088 -15.544 1.00 0.00 H new ATOM 0 HH21 ARG A 26 1.066 -2.041 -15.794 1.00 0.00 H new ATOM 0 HH22 ARG A 26 2.173 -0.980 -16.673 1.00 0.00 H new ATOM 378 N TRP A 27 1.265 0.969 -6.853 1.00 0.00 N ATOM 379 CA TRP A 27 1.357 0.866 -5.414 1.00 0.00 C ATOM 380 C TRP A 27 0.330 -0.152 -4.938 1.00 0.00 C ATOM 381 O TRP A 27 -0.756 -0.223 -5.511 1.00 0.00 O ATOM 382 CB TRP A 27 1.040 2.238 -4.826 1.00 0.00 C ATOM 383 CG TRP A 27 1.872 2.619 -3.652 1.00 0.00 C ATOM 384 CD1 TRP A 27 2.176 1.850 -2.572 1.00 0.00 C ATOM 385 CD2 TRP A 27 2.481 3.892 -3.433 1.00 0.00 C ATOM 386 NE1 TRP A 27 2.960 2.565 -1.696 1.00 0.00 N ATOM 387 CE2 TRP A 27 3.161 3.826 -2.206 1.00 0.00 C ATOM 388 CE3 TRP A 27 2.522 5.080 -4.168 1.00 0.00 C ATOM 389 CZ2 TRP A 27 3.873 4.913 -1.693 1.00 0.00 C ATOM 390 CZ3 TRP A 27 3.225 6.154 -3.660 1.00 0.00 C ATOM 391 CH2 TRP A 27 3.893 6.065 -2.434 1.00 0.00 C ATOM 0 H TRP A 27 0.483 1.539 -7.176 1.00 0.00 H new ATOM 0 HA TRP A 27 2.352 0.549 -5.101 1.00 0.00 H new ATOM 0 HB2 TRP A 27 1.168 2.990 -5.604 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -0.010 2.259 -4.532 1.00 0.00 H new ATOM 0 HD1 TRP A 27 1.851 0.831 -2.424 1.00 0.00 H new ATOM 0 HE1 TRP A 27 3.332 2.216 -0.812 1.00 0.00 H new ATOM 0 HE3 TRP A 27 2.012 5.157 -5.117 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 4.389 4.847 -0.746 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.260 7.078 -4.218 1.00 0.00 H new ATOM 0 HH2 TRP A 27 4.436 6.922 -2.064 1.00 0.00 H new ATOM 402 N LEU A 28 0.644 -0.918 -3.895 1.00 0.00 N ATOM 403 CA LEU A 28 -0.289 -1.928 -3.399 1.00 0.00 C ATOM 404 C LEU A 28 0.227 -2.625 -2.148 1.00 0.00 C ATOM 405 O LEU A 28 1.322 -2.342 -1.663 1.00 0.00 O ATOM 406 CB LEU A 28 -0.586 -2.965 -4.493 1.00 0.00 C ATOM 407 CG LEU A 28 0.636 -3.515 -5.234 1.00 0.00 C ATOM 408 CD1 LEU A 28 1.224 -4.724 -4.517 1.00 0.00 C ATOM 409 CD2 LEU A 28 0.260 -3.855 -6.663 1.00 0.00 C ATOM 0 H LEU A 28 1.524 -0.861 -3.383 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.209 -1.409 -3.130 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.120 -3.800 -4.041 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.258 -2.514 -5.223 1.00 0.00 H new ATOM 0 HG LEU A 28 1.408 -2.745 -5.248 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.090 -5.089 -5.070 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.530 -4.437 -3.511 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.473 -5.512 -4.457 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.133 -4.246 -7.186 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.529 -4.607 -6.663 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.094 -2.957 -7.169 1.00 0.00 H new ATOM 421 N VAL A 29 -0.580 -3.541 -1.638 1.00 0.00 N ATOM 422 CA VAL A 29 -0.221 -4.337 -0.479 1.00 0.00 C ATOM 423 C VAL A 29 -0.003 -5.784 -0.912 1.00 0.00 C ATOM 424 O VAL A 29 -0.636 -6.248 -1.858 1.00 0.00 O ATOM 425 CB VAL A 29 -1.329 -4.293 0.601 1.00 0.00 C ATOM 426 CG1 VAL A 29 -0.855 -4.922 1.903 1.00 0.00 C ATOM 427 CG2 VAL A 29 -1.805 -2.868 0.834 1.00 0.00 C ATOM 0 H VAL A 29 -1.503 -3.753 -2.017 1.00 0.00 H new ATOM 0 HA VAL A 29 0.692 -3.924 -0.051 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.172 -4.878 0.234 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.655 -4.876 2.642 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.583 -5.963 1.727 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.014 -4.378 2.275 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.583 -2.865 1.597 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.968 -2.255 1.167 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.206 -2.462 -0.095 1.00 0.00 H new ATOM 437 N ALA A 30 0.897 -6.486 -0.243 1.00 0.00 N ATOM 438 CA ALA A 30 1.139 -7.890 -0.537 1.00 0.00 C ATOM 439 C ALA A 30 1.204 -8.689 0.758 1.00 0.00 C ATOM 440 O ALA A 30 1.501 -8.131 1.817 1.00 0.00 O ATOM 441 CB ALA A 30 2.413 -8.047 -1.343 1.00 0.00 C ATOM 0 H ALA A 30 1.473 -6.106 0.508 1.00 0.00 H new ATOM 0 HA ALA A 30 0.315 -8.277 -1.136 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.581 -9.103 -1.556 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.320 -7.498 -2.280 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.255 -7.653 -0.774 1.00 0.00 H new ATOM 447 N ASN A 31 0.941 -9.988 0.680 1.00 0.00 N ATOM 448 CA ASN A 31 0.793 -10.796 1.886 1.00 0.00 C ATOM 449 C ASN A 31 1.926 -11.812 2.042 1.00 0.00 C ATOM 450 O ASN A 31 2.765 -11.977 1.153 1.00 0.00 O ATOM 451 CB ASN A 31 -0.569 -11.509 1.889 1.00 0.00 C ATOM 452 CG ASN A 31 -0.612 -12.752 1.015 1.00 0.00 C ATOM 453 OD1 ASN A 31 -0.771 -12.667 -0.200 1.00 0.00 O ATOM 454 ND2 ASN A 31 -0.515 -13.919 1.637 1.00 0.00 N ATOM 0 H ASN A 31 0.827 -10.500 -0.194 1.00 0.00 H new ATOM 0 HA ASN A 31 0.845 -10.119 2.738 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -0.821 -11.787 2.912 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -1.335 -10.811 1.550 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -0.572 -14.787 1.104 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -0.383 -13.949 2.648 1.00 0.00 H new ATOM 461 N ASP A 32 1.913 -12.473 3.198 1.00 0.00 N ATOM 462 CA ASP A 32 2.922 -13.459 3.609 1.00 0.00 C ATOM 463 C ASP A 32 3.270 -14.474 2.517 1.00 0.00 C ATOM 464 O ASP A 32 4.415 -14.910 2.421 1.00 0.00 O ATOM 465 CB ASP A 32 2.421 -14.206 4.849 1.00 0.00 C ATOM 466 CG ASP A 32 1.159 -15.008 4.574 1.00 0.00 C ATOM 467 OD1 ASP A 32 0.095 -14.393 4.338 1.00 0.00 O ATOM 468 OD2 ASP A 32 1.230 -16.254 4.570 1.00 0.00 O ATOM 0 H ASP A 32 1.182 -12.337 3.897 1.00 0.00 H new ATOM 0 HA ASP A 32 3.835 -12.902 3.822 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.203 -14.876 5.206 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.226 -13.490 5.647 1.00 0.00 H new ATOM 473 N ALA A 33 2.295 -14.839 1.690 1.00 0.00 N ATOM 474 CA ALA A 33 2.483 -15.903 0.699 1.00 0.00 C ATOM 475 C ALA A 33 3.375 -15.467 -0.461 1.00 0.00 C ATOM 476 O ALA A 33 3.603 -16.232 -1.399 1.00 0.00 O ATOM 477 CB ALA A 33 1.137 -16.372 0.170 1.00 0.00 C ATOM 0 H ALA A 33 1.367 -14.417 1.683 1.00 0.00 H new ATOM 0 HA ALA A 33 2.986 -16.727 1.205 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.290 -17.162 -0.565 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.535 -16.755 0.994 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.619 -15.536 -0.299 1.00 0.00 H new ATOM 483 N GLY A 34 3.877 -14.242 -0.397 1.00 0.00 N ATOM 484 CA GLY A 34 4.703 -13.723 -1.470 1.00 0.00 C ATOM 485 C GLY A 34 3.855 -13.229 -2.620 1.00 0.00 C ATOM 486 O GLY A 34 4.363 -12.877 -3.683 1.00 0.00 O ATOM 0 H GLY A 34 3.727 -13.597 0.379 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.322 -12.908 -1.095 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.380 -14.502 -1.821 1.00 0.00 H new ATOM 490 N GLN A 35 2.556 -13.186 -2.381 1.00 0.00 N ATOM 491 CA GLN A 35 1.589 -12.820 -3.394 1.00 0.00 C ATOM 492 C GLN A 35 1.048 -11.424 -3.118 1.00 0.00 C ATOM 493 O GLN A 35 1.029 -10.977 -1.971 1.00 0.00 O ATOM 494 CB GLN A 35 0.445 -13.839 -3.392 1.00 0.00 C ATOM 495 CG GLN A 35 -0.663 -13.536 -4.387 1.00 0.00 C ATOM 496 CD GLN A 35 -1.885 -14.402 -4.169 1.00 0.00 C ATOM 497 OE1 GLN A 35 -2.008 -15.485 -4.738 1.00 0.00 O ATOM 498 NE2 GLN A 35 -2.796 -13.928 -3.337 1.00 0.00 N ATOM 0 H GLN A 35 2.143 -13.405 -1.474 1.00 0.00 H new ATOM 0 HA GLN A 35 2.070 -12.819 -4.372 1.00 0.00 H new ATOM 0 HB2 GLN A 35 0.853 -14.826 -3.609 1.00 0.00 H new ATOM 0 HB3 GLN A 35 0.016 -13.885 -2.391 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.945 -12.486 -4.304 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.290 -13.687 -5.400 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -2.654 -13.024 -2.886 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.641 -14.466 -3.146 1.00 0.00 H new ATOM 507 N TRP A 36 0.635 -10.736 -4.170 1.00 0.00 N ATOM 508 CA TRP A 36 -0.036 -9.456 -4.028 1.00 0.00 C ATOM 509 C TRP A 36 -1.367 -9.634 -3.307 1.00 0.00 C ATOM 510 O TRP A 36 -2.040 -10.659 -3.461 1.00 0.00 O ATOM 511 CB TRP A 36 -0.283 -8.829 -5.396 1.00 0.00 C ATOM 512 CG TRP A 36 0.911 -8.160 -6.002 1.00 0.00 C ATOM 513 CD1 TRP A 36 2.190 -8.139 -5.520 1.00 0.00 C ATOM 514 CD2 TRP A 36 0.925 -7.400 -7.213 1.00 0.00 C ATOM 515 NE1 TRP A 36 2.994 -7.404 -6.356 1.00 0.00 N ATOM 516 CE2 TRP A 36 2.240 -6.941 -7.403 1.00 0.00 C ATOM 517 CE3 TRP A 36 -0.051 -7.064 -8.155 1.00 0.00 C ATOM 518 CZ2 TRP A 36 2.603 -6.163 -8.497 1.00 0.00 C ATOM 519 CZ3 TRP A 36 0.310 -6.290 -9.240 1.00 0.00 C ATOM 520 CH2 TRP A 36 1.628 -5.847 -9.403 1.00 0.00 C ATOM 0 H TRP A 36 0.754 -11.045 -5.135 1.00 0.00 H new ATOM 0 HA TRP A 36 0.607 -8.798 -3.443 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.633 -9.604 -6.078 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.086 -8.097 -5.306 1.00 0.00 H new ATOM 0 HD1 TRP A 36 2.519 -8.628 -4.615 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.990 -7.231 -6.220 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.069 -7.404 -8.037 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 3.619 -5.820 -8.627 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.436 -6.022 -9.974 1.00 0.00 H new ATOM 0 HH2 TRP A 36 1.880 -5.243 -10.262 1.00 0.00 H new ATOM 531 N LEU A 37 -1.746 -8.638 -2.532 1.00 0.00 N ATOM 532 CA LEU A 37 -3.010 -8.665 -1.825 1.00 0.00 C ATOM 533 C LEU A 37 -4.039 -7.856 -2.608 1.00 0.00 C ATOM 534 O LEU A 37 -3.684 -7.113 -3.520 1.00 0.00 O ATOM 535 CB LEU A 37 -2.837 -8.110 -0.407 1.00 0.00 C ATOM 536 CG LEU A 37 -3.991 -8.398 0.551 1.00 0.00 C ATOM 537 CD1 LEU A 37 -4.156 -9.898 0.745 1.00 0.00 C ATOM 538 CD2 LEU A 37 -3.757 -7.712 1.884 1.00 0.00 C ATOM 0 H LEU A 37 -1.193 -7.795 -2.375 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.361 -9.693 -1.739 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.922 -8.523 0.018 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.700 -7.031 -0.471 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.909 -8.002 0.117 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.982 -10.088 1.430 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.366 -10.368 -0.216 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.238 -10.314 1.160 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.589 -7.927 2.555 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.830 -8.080 2.325 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.684 -6.635 1.731 1.00 0.00 H new ATOM 550 N ASN A 38 -5.306 -8.001 -2.262 1.00 0.00 N ATOM 551 CA ASN A 38 -6.371 -7.376 -3.031 1.00 0.00 C ATOM 552 C ASN A 38 -7.524 -7.003 -2.116 1.00 0.00 C ATOM 553 O ASN A 38 -7.669 -7.582 -1.045 1.00 0.00 O ATOM 554 CB ASN A 38 -6.861 -8.356 -4.101 1.00 0.00 C ATOM 555 CG ASN A 38 -7.531 -7.676 -5.282 1.00 0.00 C ATOM 556 OD1 ASN A 38 -8.132 -6.613 -5.146 1.00 0.00 O ATOM 557 ND2 ASN A 38 -7.430 -8.288 -6.454 1.00 0.00 N ATOM 0 H ASN A 38 -5.623 -8.543 -1.458 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.990 -6.472 -3.506 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.015 -8.942 -4.461 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -7.563 -9.055 -3.648 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -7.860 -7.877 -7.283 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.922 -9.170 -6.527 1.00 0.00 H new ATOM 564 N ARG A 39 -8.352 -6.056 -2.544 1.00 0.00 N ATOM 565 CA ARG A 39 -9.552 -5.702 -1.798 1.00 0.00 C ATOM 566 C ARG A 39 -10.587 -6.808 -1.958 1.00 0.00 C ATOM 567 O ARG A 39 -11.584 -6.857 -1.245 1.00 0.00 O ATOM 568 CB ARG A 39 -10.150 -4.386 -2.294 1.00 0.00 C ATOM 569 CG ARG A 39 -9.162 -3.239 -2.392 1.00 0.00 C ATOM 570 CD ARG A 39 -9.831 -2.005 -2.981 1.00 0.00 C ATOM 571 NE ARG A 39 -10.560 -2.334 -4.206 1.00 0.00 N ATOM 572 CZ ARG A 39 -11.150 -1.448 -5.006 1.00 0.00 C ATOM 573 NH1 ARG A 39 -11.153 -0.153 -4.704 1.00 0.00 N ATOM 574 NH2 ARG A 39 -11.761 -1.866 -6.108 1.00 0.00 N ATOM 0 H ARG A 39 -8.214 -5.521 -3.402 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.277 -5.582 -0.750 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.593 -4.551 -3.276 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.959 -4.095 -1.624 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -8.766 -3.008 -1.403 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.316 -3.533 -3.014 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -10.517 -1.576 -2.250 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -9.078 -1.247 -3.195 1.00 0.00 H new ATOM 0 HE ARG A 39 -10.621 -3.318 -4.467 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -10.699 0.173 -3.850 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -11.609 0.515 -5.326 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -11.776 -2.860 -6.337 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -12.215 -1.193 -6.726 1.00 0.00 H new ATOM 588 N ASP A 40 -10.357 -7.673 -2.936 1.00 0.00 N ATOM 589 CA ASP A 40 -11.202 -8.845 -3.134 1.00 0.00 C ATOM 590 C ASP A 40 -10.750 -9.977 -2.226 1.00 0.00 C ATOM 591 O ASP A 40 -11.497 -10.919 -1.964 1.00 0.00 O ATOM 592 CB ASP A 40 -11.172 -9.295 -4.597 1.00 0.00 C ATOM 593 CG ASP A 40 -11.982 -8.387 -5.499 1.00 0.00 C ATOM 594 OD1 ASP A 40 -11.451 -7.348 -5.942 1.00 0.00 O ATOM 595 OD2 ASP A 40 -13.161 -8.706 -5.766 1.00 0.00 O ATOM 0 H ASP A 40 -9.592 -7.586 -3.605 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.227 -8.576 -2.880 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -10.139 -9.320 -4.945 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.558 -10.312 -4.669 1.00 0.00 H new ATOM 600 N LEU A 41 -9.518 -9.876 -1.745 1.00 0.00 N ATOM 601 CA LEU A 41 -8.988 -10.838 -0.789 1.00 0.00 C ATOM 602 C LEU A 41 -9.239 -10.323 0.618 1.00 0.00 C ATOM 603 O LEU A 41 -9.800 -11.017 1.463 1.00 0.00 O ATOM 604 CB LEU A 41 -7.489 -11.050 -1.017 1.00 0.00 C ATOM 605 CG LEU A 41 -7.107 -11.594 -2.395 1.00 0.00 C ATOM 606 CD1 LEU A 41 -5.596 -11.666 -2.539 1.00 0.00 C ATOM 607 CD2 LEU A 41 -7.730 -12.964 -2.619 1.00 0.00 C ATOM 0 H LEU A 41 -8.866 -9.135 -2.002 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.489 -11.797 -0.923 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.977 -10.100 -0.865 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.116 -11.737 -0.257 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.493 -10.912 -3.153 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.343 -12.055 -3.525 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.171 -10.669 -2.422 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.189 -12.326 -1.773 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.448 -13.335 -3.604 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.374 -13.655 -1.855 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.815 -12.884 -2.559 1.00 0.00 H new ATOM 619 N CYS A 42 -8.828 -9.086 0.845 1.00 0.00 N ATOM 620 CA CYS A 42 -9.117 -8.390 2.091 1.00 0.00 C ATOM 621 C CYS A 42 -10.028 -7.204 1.797 1.00 0.00 C ATOM 622 O CYS A 42 -9.559 -6.122 1.430 1.00 0.00 O ATOM 623 CB CYS A 42 -7.827 -7.922 2.770 1.00 0.00 C ATOM 624 SG CYS A 42 -6.700 -9.261 3.215 1.00 0.00 S ATOM 0 H CYS A 42 -8.288 -8.538 0.176 1.00 0.00 H new ATOM 0 HA CYS A 42 -9.618 -9.075 2.775 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -7.309 -7.231 2.105 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -8.085 -7.364 3.670 1.00 0.00 H new ATOM 0 HG CYS A 42 -5.872 -8.846 4.127 1.00 0.00 H new ATOM 630 N PRO A 43 -11.347 -7.411 1.934 1.00 0.00 N ATOM 631 CA PRO A 43 -12.372 -6.442 1.522 1.00 0.00 C ATOM 632 C PRO A 43 -12.189 -5.062 2.138 1.00 0.00 C ATOM 633 O PRO A 43 -12.267 -4.046 1.445 1.00 0.00 O ATOM 634 CB PRO A 43 -13.679 -7.075 2.011 1.00 0.00 C ATOM 635 CG PRO A 43 -13.385 -8.530 2.076 1.00 0.00 C ATOM 636 CD PRO A 43 -11.952 -8.629 2.506 1.00 0.00 C ATOM 0 HA PRO A 43 -12.334 -6.264 0.447 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -13.969 -6.684 2.987 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -14.502 -6.866 1.327 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -14.043 -9.032 2.785 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -13.538 -9.005 1.107 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -11.858 -8.655 3.592 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -11.478 -9.533 2.123 1.00 0.00 H new ATOM 644 N ARG A 44 -11.903 -5.022 3.430 1.00 0.00 N ATOM 645 CA ARG A 44 -11.877 -3.759 4.155 1.00 0.00 C ATOM 646 C ARG A 44 -10.602 -2.962 3.887 1.00 0.00 C ATOM 647 O ARG A 44 -10.359 -1.941 4.528 1.00 0.00 O ATOM 648 CB ARG A 44 -12.051 -3.995 5.653 1.00 0.00 C ATOM 649 CG ARG A 44 -13.377 -4.652 6.004 1.00 0.00 C ATOM 650 CD ARG A 44 -13.662 -4.559 7.490 1.00 0.00 C ATOM 651 NE ARG A 44 -13.765 -3.170 7.929 1.00 0.00 N ATOM 652 CZ ARG A 44 -13.593 -2.772 9.188 1.00 0.00 C ATOM 653 NH1 ARG A 44 -13.310 -3.660 10.139 1.00 0.00 N ATOM 654 NH2 ARG A 44 -13.699 -1.483 9.489 1.00 0.00 N ATOM 0 H ARG A 44 -11.687 -5.843 3.996 1.00 0.00 H new ATOM 0 HA ARG A 44 -12.714 -3.164 3.788 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -11.235 -4.622 6.013 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -11.975 -3.042 6.176 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -14.182 -4.172 5.447 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -13.358 -5.699 5.700 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -14.590 -5.083 7.717 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -12.869 -5.060 8.046 1.00 0.00 H new ATOM 0 HE ARG A 44 -13.982 -2.461 7.228 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -13.224 -4.649 9.904 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -13.179 -3.351 11.102 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -13.911 -0.804 8.758 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -13.568 -1.172 10.451 1.00 0.00 H new ATOM 668 N LEU A 45 -9.794 -3.407 2.939 1.00 0.00 N ATOM 669 CA LEU A 45 -8.631 -2.635 2.523 1.00 0.00 C ATOM 670 C LEU A 45 -9.065 -1.481 1.649 1.00 0.00 C ATOM 671 O LEU A 45 -8.357 -0.490 1.517 1.00 0.00 O ATOM 672 CB LEU A 45 -7.622 -3.512 1.784 1.00 0.00 C ATOM 673 CG LEU A 45 -6.339 -3.795 2.557 1.00 0.00 C ATOM 674 CD1 LEU A 45 -6.632 -4.588 3.820 1.00 0.00 C ATOM 675 CD2 LEU A 45 -5.336 -4.527 1.680 1.00 0.00 C ATOM 0 H LEU A 45 -9.919 -4.291 2.445 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.143 -2.244 3.415 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.098 -4.461 1.537 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.363 -3.030 0.841 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.902 -2.841 2.852 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.701 -4.778 4.355 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.308 -4.019 4.458 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.098 -5.537 3.554 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.427 -4.720 2.250 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.764 -5.473 1.349 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.096 -3.914 0.811 1.00 0.00 H new ATOM 687 N ALA A 46 -10.244 -1.618 1.067 1.00 0.00 N ATOM 688 CA ALA A 46 -10.891 -0.517 0.370 1.00 0.00 C ATOM 689 C ALA A 46 -11.111 0.653 1.331 1.00 0.00 C ATOM 690 O ALA A 46 -11.237 1.806 0.917 1.00 0.00 O ATOM 691 CB ALA A 46 -12.217 -0.974 -0.221 1.00 0.00 C ATOM 0 H ALA A 46 -10.777 -2.488 1.063 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.246 -0.186 -0.444 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.691 -0.141 -0.740 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -12.040 -1.787 -0.926 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.871 -1.322 0.578 1.00 0.00 H new ATOM 697 N GLU A 47 -11.141 0.338 2.625 1.00 0.00 N ATOM 698 CA GLU A 47 -11.330 1.341 3.661 1.00 0.00 C ATOM 699 C GLU A 47 -10.001 1.977 4.064 1.00 0.00 C ATOM 700 O GLU A 47 -9.534 1.808 5.190 1.00 0.00 O ATOM 701 CB GLU A 47 -11.989 0.723 4.895 1.00 0.00 C ATOM 702 CG GLU A 47 -13.389 0.191 4.649 1.00 0.00 C ATOM 703 CD GLU A 47 -13.974 -0.469 5.879 1.00 0.00 C ATOM 704 OE1 GLU A 47 -13.963 0.159 6.957 1.00 0.00 O ATOM 705 OE2 GLU A 47 -14.453 -1.617 5.775 1.00 0.00 O ATOM 0 H GLU A 47 -11.036 -0.613 2.978 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.980 2.115 3.252 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.362 -0.090 5.260 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -12.030 1.473 5.685 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -14.037 1.009 4.335 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.364 -0.528 3.830 1.00 0.00 H new ATOM 712 N VAL A 48 -9.369 2.652 3.122 1.00 0.00 N ATOM 713 CA VAL A 48 -8.215 3.486 3.425 1.00 0.00 C ATOM 714 C VAL A 48 -8.466 4.920 2.961 1.00 0.00 C ATOM 715 O VAL A 48 -8.859 5.154 1.818 1.00 0.00 O ATOM 716 CB VAL A 48 -6.921 2.951 2.767 1.00 0.00 C ATOM 717 CG1 VAL A 48 -5.740 3.855 3.091 1.00 0.00 C ATOM 718 CG2 VAL A 48 -6.638 1.526 3.218 1.00 0.00 C ATOM 0 H VAL A 48 -9.634 2.641 2.137 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.076 3.463 4.506 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.066 2.948 1.687 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.840 3.461 2.619 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.937 4.859 2.716 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.596 3.893 4.171 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.724 1.169 2.744 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.517 1.504 4.301 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.470 0.882 2.933 1.00 0.00 H new ATOM 728 N SER A 49 -8.271 5.874 3.861 1.00 0.00 N ATOM 729 CA SER A 49 -8.418 7.281 3.527 1.00 0.00 C ATOM 730 C SER A 49 -7.069 7.829 3.078 1.00 0.00 C ATOM 731 O SER A 49 -6.037 7.487 3.656 1.00 0.00 O ATOM 732 CB SER A 49 -8.934 8.065 4.735 1.00 0.00 C ATOM 733 OG SER A 49 -9.479 9.317 4.344 1.00 0.00 O ATOM 0 H SER A 49 -8.010 5.697 4.831 1.00 0.00 H new ATOM 0 HA SER A 49 -9.142 7.388 2.719 1.00 0.00 H new ATOM 0 HB2 SER A 49 -9.695 7.481 5.252 1.00 0.00 H new ATOM 0 HB3 SER A 49 -8.120 8.225 5.442 1.00 0.00 H new ATOM 0 HG SER A 49 -9.802 9.795 5.136 1.00 0.00 H new ATOM 739 N VAL A 50 -7.073 8.675 2.058 1.00 0.00 N ATOM 740 CA VAL A 50 -5.828 9.118 1.451 1.00 0.00 C ATOM 741 C VAL A 50 -5.678 10.631 1.508 1.00 0.00 C ATOM 742 O VAL A 50 -6.575 11.375 1.110 1.00 0.00 O ATOM 743 CB VAL A 50 -5.727 8.683 -0.026 1.00 0.00 C ATOM 744 CG1 VAL A 50 -4.283 8.720 -0.502 1.00 0.00 C ATOM 745 CG2 VAL A 50 -6.329 7.306 -0.230 1.00 0.00 C ATOM 0 H VAL A 50 -7.916 9.065 1.637 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.032 8.649 2.029 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.300 9.391 -0.625 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.236 8.410 -1.546 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.894 9.734 -0.407 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.682 8.043 0.105 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.245 7.024 -1.279 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.796 6.581 0.385 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.380 7.322 0.058 1.00 0.00 H new ATOM 755 N GLU A 51 -4.542 11.074 2.013 1.00 0.00 N ATOM 756 CA GLU A 51 -4.161 12.471 1.939 1.00 0.00 C ATOM 757 C GLU A 51 -2.844 12.600 1.194 1.00 0.00 C ATOM 758 O GLU A 51 -1.874 11.912 1.508 1.00 0.00 O ATOM 759 CB GLU A 51 -4.014 13.082 3.334 1.00 0.00 C ATOM 760 CG GLU A 51 -5.270 13.754 3.848 1.00 0.00 C ATOM 761 CD GLU A 51 -5.056 14.398 5.206 1.00 0.00 C ATOM 762 OE1 GLU A 51 -4.142 15.238 5.336 1.00 0.00 O ATOM 763 OE2 GLU A 51 -5.791 14.057 6.158 1.00 0.00 O ATOM 0 H GLU A 51 -3.861 10.479 2.484 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.947 13.009 1.409 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.721 12.299 4.033 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.205 13.812 3.316 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.594 14.512 3.134 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.072 13.019 3.918 1.00 0.00 H new ATOM 770 N LEU A 52 -2.811 13.474 0.211 1.00 0.00 N ATOM 771 CA LEU A 52 -1.587 13.742 -0.516 1.00 0.00 C ATOM 772 C LEU A 52 -1.088 15.131 -0.194 1.00 0.00 C ATOM 773 O LEU A 52 -1.851 16.095 -0.153 1.00 0.00 O ATOM 774 CB LEU A 52 -1.771 13.574 -2.030 1.00 0.00 C ATOM 775 CG LEU A 52 -1.772 12.126 -2.534 1.00 0.00 C ATOM 776 CD1 LEU A 52 -3.156 11.495 -2.448 1.00 0.00 C ATOM 777 CD2 LEU A 52 -1.241 12.064 -3.952 1.00 0.00 C ATOM 0 H LEU A 52 -3.618 14.012 -0.104 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.844 13.010 -0.198 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.712 14.042 -2.319 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.975 14.118 -2.539 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.114 11.549 -1.884 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.112 10.470 -2.815 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.492 11.495 -1.411 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.856 12.068 -3.056 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.247 11.030 -4.298 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.872 12.668 -4.604 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.221 12.449 -3.976 1.00 0.00 H new ATOM 789 N ARG A 53 0.192 15.199 0.077 1.00 0.00 N ATOM 790 CA ARG A 53 0.867 16.437 0.378 1.00 0.00 C ATOM 791 C ARG A 53 2.176 16.436 -0.393 1.00 0.00 C ATOM 792 O ARG A 53 2.736 15.366 -0.629 1.00 0.00 O ATOM 793 CB ARG A 53 1.090 16.528 1.891 1.00 0.00 C ATOM 794 CG ARG A 53 1.862 17.752 2.354 1.00 0.00 C ATOM 795 CD ARG A 53 1.773 17.911 3.862 1.00 0.00 C ATOM 796 NE ARG A 53 0.438 18.341 4.293 1.00 0.00 N ATOM 797 CZ ARG A 53 -0.416 17.585 4.990 1.00 0.00 C ATOM 798 NH1 ARG A 53 -0.110 16.326 5.283 1.00 0.00 N ATOM 799 NH2 ARG A 53 -1.579 18.091 5.388 1.00 0.00 N ATOM 0 H ARG A 53 0.804 14.383 0.095 1.00 0.00 H new ATOM 0 HA ARG A 53 0.281 17.307 0.083 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.120 16.520 2.387 1.00 0.00 H new ATOM 0 HB3 ARG A 53 1.623 15.635 2.219 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.906 17.663 2.055 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.466 18.643 1.866 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.021 16.964 4.341 1.00 0.00 H new ATOM 0 HD3 ARG A 53 2.513 18.639 4.194 1.00 0.00 H new ATOM 0 HE ARG A 53 0.140 19.284 4.043 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.780 15.933 4.976 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.765 15.753 5.815 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.820 19.056 5.161 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.231 17.514 5.920 1.00 0.00 H new ATOM 813 N MET A 54 2.647 17.601 -0.811 1.00 0.00 N ATOM 814 CA MET A 54 3.844 17.672 -1.642 1.00 0.00 C ATOM 815 C MET A 54 5.055 17.137 -0.890 1.00 0.00 C ATOM 816 O MET A 54 5.698 17.849 -0.120 1.00 0.00 O ATOM 817 CB MET A 54 4.087 19.104 -2.128 1.00 0.00 C ATOM 818 CG MET A 54 2.993 19.617 -3.054 1.00 0.00 C ATOM 819 SD MET A 54 3.306 21.288 -3.655 1.00 0.00 S ATOM 820 CE MET A 54 3.351 22.198 -2.113 1.00 0.00 C ATOM 0 H MET A 54 2.225 18.504 -0.592 1.00 0.00 H new ATOM 0 HA MET A 54 3.687 17.044 -2.519 1.00 0.00 H new ATOM 0 HB2 MET A 54 4.163 19.766 -1.265 1.00 0.00 H new ATOM 0 HB3 MET A 54 5.044 19.147 -2.648 1.00 0.00 H new ATOM 0 HG2 MET A 54 2.899 18.942 -3.905 1.00 0.00 H new ATOM 0 HG3 MET A 54 2.040 19.599 -2.526 1.00 0.00 H new ATOM 0 HE1 MET A 54 3.180 23.256 -2.310 1.00 0.00 H new ATOM 0 HE2 MET A 54 2.575 21.823 -1.446 1.00 0.00 H new ATOM 0 HE3 MET A 54 4.326 22.069 -1.643 1.00 0.00 H new ATOM 830 N GLY A 55 5.325 15.853 -1.090 1.00 0.00 N ATOM 831 CA GLY A 55 6.436 15.213 -0.433 1.00 0.00 C ATOM 832 C GLY A 55 6.009 14.076 0.480 1.00 0.00 C ATOM 833 O GLY A 55 6.836 13.247 0.859 1.00 0.00 O ATOM 0 H GLY A 55 4.785 15.243 -1.703 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.124 14.829 -1.186 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.983 15.954 0.150 1.00 0.00 H new ATOM 837 N TYR A 56 4.721 14.007 0.830 1.00 0.00 N ATOM 838 CA TYR A 56 4.264 13.020 1.806 1.00 0.00 C ATOM 839 C TYR A 56 2.887 12.473 1.454 1.00 0.00 C ATOM 840 O TYR A 56 1.994 13.211 1.042 1.00 0.00 O ATOM 841 CB TYR A 56 4.238 13.618 3.220 1.00 0.00 C ATOM 842 CG TYR A 56 5.614 13.837 3.815 1.00 0.00 C ATOM 843 CD1 TYR A 56 6.271 12.811 4.483 1.00 0.00 C ATOM 844 CD2 TYR A 56 6.255 15.065 3.702 1.00 0.00 C ATOM 845 CE1 TYR A 56 7.530 13.002 5.021 1.00 0.00 C ATOM 846 CE2 TYR A 56 7.513 15.263 4.237 1.00 0.00 C ATOM 847 CZ TYR A 56 8.146 14.228 4.895 1.00 0.00 C ATOM 848 OH TYR A 56 9.404 14.418 5.424 1.00 0.00 O ATOM 0 H TYR A 56 3.989 14.613 0.458 1.00 0.00 H new ATOM 0 HA TYR A 56 4.976 12.195 1.780 1.00 0.00 H new ATOM 0 HB2 TYR A 56 3.708 14.570 3.192 1.00 0.00 H new ATOM 0 HB3 TYR A 56 3.670 12.956 3.874 1.00 0.00 H new ATOM 0 HD1 TYR A 56 5.790 11.849 4.584 1.00 0.00 H new ATOM 0 HD2 TYR A 56 5.762 15.877 3.188 1.00 0.00 H new ATOM 0 HE1 TYR A 56 8.028 12.195 5.537 1.00 0.00 H new ATOM 0 HE2 TYR A 56 7.999 16.223 4.141 1.00 0.00 H new ATOM 0 HH TYR A 56 9.697 15.337 5.249 1.00 0.00 H new ATOM 858 N LEU A 57 2.734 11.174 1.622 1.00 0.00 N ATOM 859 CA LEU A 57 1.478 10.494 1.365 1.00 0.00 C ATOM 860 C LEU A 57 0.900 9.968 2.676 1.00 0.00 C ATOM 861 O LEU A 57 1.468 9.074 3.302 1.00 0.00 O ATOM 862 CB LEU A 57 1.719 9.349 0.376 1.00 0.00 C ATOM 863 CG LEU A 57 0.480 8.575 -0.071 1.00 0.00 C ATOM 864 CD1 LEU A 57 -0.554 9.510 -0.662 1.00 0.00 C ATOM 865 CD2 LEU A 57 0.871 7.522 -1.092 1.00 0.00 C ATOM 0 H LEU A 57 3.481 10.557 1.942 1.00 0.00 H new ATOM 0 HA LEU A 57 0.760 11.189 0.930 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.206 9.757 -0.509 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.418 8.646 0.829 1.00 0.00 H new ATOM 0 HG LEU A 57 0.043 8.088 0.801 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.427 8.937 -0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.850 10.245 0.087 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.130 10.023 -1.525 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.017 6.973 -1.407 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.325 8.005 -1.957 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.586 6.830 -0.646 1.00 0.00 H new ATOM 877 N VAL A 58 -0.217 10.540 3.096 1.00 0.00 N ATOM 878 CA VAL A 58 -0.801 10.224 4.390 1.00 0.00 C ATOM 879 C VAL A 58 -1.964 9.249 4.248 1.00 0.00 C ATOM 880 O VAL A 58 -3.018 9.592 3.715 1.00 0.00 O ATOM 881 CB VAL A 58 -1.287 11.502 5.112 1.00 0.00 C ATOM 882 CG1 VAL A 58 -1.862 11.169 6.483 1.00 0.00 C ATOM 883 CG2 VAL A 58 -0.151 12.509 5.231 1.00 0.00 C ATOM 0 H VAL A 58 -0.740 11.229 2.556 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.019 9.756 4.987 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.083 11.949 4.516 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.196 12.085 6.970 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.707 10.490 6.368 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.095 10.693 7.094 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.509 13.403 5.741 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.667 12.069 5.801 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.203 12.777 4.236 1.00 0.00 H new ATOM 893 N LEU A 59 -1.758 8.031 4.717 1.00 0.00 N ATOM 894 CA LEU A 59 -2.798 7.013 4.706 1.00 0.00 C ATOM 895 C LEU A 59 -3.460 6.930 6.075 1.00 0.00 C ATOM 896 O LEU A 59 -2.782 6.890 7.087 1.00 0.00 O ATOM 897 CB LEU A 59 -2.210 5.651 4.316 1.00 0.00 C ATOM 898 CG LEU A 59 -2.228 5.330 2.818 1.00 0.00 C ATOM 899 CD1 LEU A 59 -1.458 6.373 2.022 1.00 0.00 C ATOM 900 CD2 LEU A 59 -1.656 3.941 2.571 1.00 0.00 C ATOM 0 H LEU A 59 -0.872 7.719 5.114 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.550 7.288 3.967 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.179 5.606 4.667 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.761 4.872 4.843 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.264 5.350 2.479 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -1.489 6.118 0.963 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.911 7.353 2.173 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.422 6.396 2.360 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.674 3.725 1.503 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.628 3.901 2.932 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.255 3.201 3.101 1.00 0.00 H new ATOM 912 N LYS A 60 -4.780 6.917 6.109 1.00 0.00 N ATOM 913 CA LYS A 60 -5.510 6.893 7.375 1.00 0.00 C ATOM 914 C LYS A 60 -6.542 5.779 7.344 1.00 0.00 C ATOM 915 O LYS A 60 -7.221 5.600 6.332 1.00 0.00 O ATOM 916 CB LYS A 60 -6.206 8.239 7.607 1.00 0.00 C ATOM 917 CG LYS A 60 -5.277 9.436 7.478 1.00 0.00 C ATOM 918 CD LYS A 60 -6.017 10.756 7.626 1.00 0.00 C ATOM 919 CE LYS A 60 -7.064 10.939 6.541 1.00 0.00 C ATOM 920 NZ LYS A 60 -7.678 12.291 6.591 1.00 0.00 N ATOM 0 H LYS A 60 -5.373 6.923 5.279 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.808 6.715 8.189 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.022 8.344 6.892 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.652 8.241 8.602 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.497 9.372 8.237 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -4.781 9.406 6.508 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.496 10.797 8.604 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.304 11.579 7.586 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.606 10.783 5.564 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.841 10.182 6.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.189 12.473 5.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.342 12.341 7.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.933 13.006 6.714 1.00 0.00 H new ATOM 934 N ALA A 61 -6.674 5.017 8.425 1.00 0.00 N ATOM 935 CA ALA A 61 -7.600 3.891 8.396 1.00 0.00 C ATOM 936 C ALA A 61 -8.742 4.051 9.392 1.00 0.00 C ATOM 937 O ALA A 61 -8.558 4.559 10.488 1.00 0.00 O ATOM 938 CB ALA A 61 -6.860 2.590 8.657 1.00 0.00 C ATOM 0 H ALA A 61 -6.171 5.150 9.303 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.040 3.866 7.399 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.565 1.759 8.632 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.100 2.444 7.890 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.384 2.632 9.637 1.00 0.00 H new ATOM 944 N PRO A 62 -9.955 3.628 9.014 1.00 0.00 N ATOM 945 CA PRO A 62 -11.059 3.508 9.959 1.00 0.00 C ATOM 946 C PRO A 62 -10.728 2.473 11.027 1.00 0.00 C ATOM 947 O PRO A 62 -10.880 1.269 10.810 1.00 0.00 O ATOM 948 CB PRO A 62 -12.240 3.043 9.099 1.00 0.00 C ATOM 949 CG PRO A 62 -11.853 3.361 7.696 1.00 0.00 C ATOM 950 CD PRO A 62 -10.354 3.271 7.649 1.00 0.00 C ATOM 0 HA PRO A 62 -11.270 4.439 10.485 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -12.422 1.976 9.225 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -13.158 3.558 9.380 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -12.308 2.659 6.997 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -12.193 4.357 7.414 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -10.019 2.269 7.380 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -9.932 3.956 6.914 1.00 0.00 H new ATOM 958 N GLY A 63 -10.206 2.939 12.149 1.00 0.00 N ATOM 959 CA GLY A 63 -9.814 2.044 13.212 1.00 0.00 C ATOM 960 C GLY A 63 -8.339 2.160 13.538 1.00 0.00 C ATOM 961 O GLY A 63 -7.932 1.934 14.678 1.00 0.00 O ATOM 0 H GLY A 63 -10.046 3.928 12.342 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.401 2.262 14.104 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.042 1.018 12.924 1.00 0.00 H new ATOM 965 N MET A 64 -7.536 2.538 12.544 1.00 0.00 N ATOM 966 CA MET A 64 -6.094 2.665 12.735 1.00 0.00 C ATOM 967 C MET A 64 -5.657 4.083 12.391 1.00 0.00 C ATOM 968 O MET A 64 -6.282 4.747 11.567 1.00 0.00 O ATOM 969 CB MET A 64 -5.308 1.654 11.881 1.00 0.00 C ATOM 970 CG MET A 64 -5.783 0.214 12.020 1.00 0.00 C ATOM 971 SD MET A 64 -5.891 -0.325 13.738 1.00 0.00 S ATOM 972 CE MET A 64 -6.843 -1.835 13.580 1.00 0.00 C ATOM 0 H MET A 64 -7.859 2.761 11.602 1.00 0.00 H new ATOM 0 HA MET A 64 -5.876 2.450 13.781 1.00 0.00 H new ATOM 0 HB2 MET A 64 -5.379 1.948 10.834 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.255 1.705 12.156 1.00 0.00 H new ATOM 0 HG2 MET A 64 -6.761 0.112 11.550 1.00 0.00 H new ATOM 0 HG3 MET A 64 -5.100 -0.442 11.480 1.00 0.00 H new ATOM 0 HE1 MET A 64 -7.701 -1.796 14.251 1.00 0.00 H new ATOM 0 HE2 MET A 64 -7.190 -1.940 12.552 1.00 0.00 H new ATOM 0 HE3 MET A 64 -6.217 -2.689 13.841 1.00 0.00 H new ATOM 982 N LEU A 65 -4.575 4.530 13.005 1.00 0.00 N ATOM 983 CA LEU A 65 -4.125 5.915 12.880 1.00 0.00 C ATOM 984 C LEU A 65 -3.734 6.279 11.443 1.00 0.00 C ATOM 985 O LEU A 65 -4.059 5.570 10.475 1.00 0.00 O ATOM 986 CB LEU A 65 -2.934 6.157 13.814 1.00 0.00 C ATOM 987 CG LEU A 65 -3.226 5.983 15.306 1.00 0.00 C ATOM 988 CD1 LEU A 65 -1.952 6.145 16.123 1.00 0.00 C ATOM 989 CD2 LEU A 65 -4.282 6.976 15.767 1.00 0.00 C ATOM 0 H LEU A 65 -3.984 3.951 13.602 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.963 6.554 13.160 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.131 5.474 13.536 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.564 7.169 13.649 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.611 4.975 15.462 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.180 6.018 17.181 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.225 5.394 15.816 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.538 7.140 15.958 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.474 6.835 16.831 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.926 7.992 15.594 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.203 6.814 15.207 1.00 0.00 H new ATOM 1001 N ARG A 66 -3.068 7.419 11.311 1.00 0.00 N ATOM 1002 CA ARG A 66 -2.567 7.854 10.027 1.00 0.00 C ATOM 1003 C ARG A 66 -1.111 7.447 9.859 1.00 0.00 C ATOM 1004 O ARG A 66 -0.346 7.395 10.823 1.00 0.00 O ATOM 1005 CB ARG A 66 -2.737 9.365 9.847 1.00 0.00 C ATOM 1006 CG ARG A 66 -2.050 10.216 10.901 1.00 0.00 C ATOM 1007 CD ARG A 66 -2.322 11.688 10.649 1.00 0.00 C ATOM 1008 NE ARG A 66 -1.752 12.553 11.680 1.00 0.00 N ATOM 1009 CZ ARG A 66 -2.436 13.526 12.283 1.00 0.00 C ATOM 1010 NH1 ARG A 66 -3.730 13.687 12.021 1.00 0.00 N ATOM 1011 NH2 ARG A 66 -1.837 14.325 13.157 1.00 0.00 N ATOM 0 H ARG A 66 -2.865 8.055 12.082 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.154 7.363 9.251 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -2.351 9.645 8.867 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.802 9.599 9.849 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -2.407 9.938 11.892 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.976 10.030 10.885 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.912 11.968 9.679 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -3.399 11.851 10.599 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.780 12.405 11.953 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -4.197 13.067 11.360 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -4.255 14.431 12.481 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -0.848 14.197 13.371 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.366 15.067 13.615 1.00 0.00 H new ATOM 1025 N LEU A 67 -0.753 7.149 8.631 1.00 0.00 N ATOM 1026 CA LEU A 67 0.573 6.693 8.283 1.00 0.00 C ATOM 1027 C LEU A 67 1.162 7.594 7.208 1.00 0.00 C ATOM 1028 O LEU A 67 0.639 7.664 6.095 1.00 0.00 O ATOM 1029 CB LEU A 67 0.487 5.251 7.781 1.00 0.00 C ATOM 1030 CG LEU A 67 1.740 4.709 7.100 1.00 0.00 C ATOM 1031 CD1 LEU A 67 2.886 4.577 8.097 1.00 0.00 C ATOM 1032 CD2 LEU A 67 1.433 3.374 6.447 1.00 0.00 C ATOM 0 H LEU A 67 -1.385 7.218 7.833 1.00 0.00 H new ATOM 0 HA LEU A 67 1.220 6.732 9.159 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.248 4.606 8.626 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.345 5.179 7.080 1.00 0.00 H new ATOM 0 HG LEU A 67 2.053 5.413 6.329 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.768 4.189 7.588 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.113 5.555 8.522 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.597 3.893 8.895 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.331 2.991 5.962 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.100 2.666 7.206 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.647 3.505 5.703 1.00 0.00 H new ATOM 1044 N ASP A 68 2.229 8.297 7.544 1.00 0.00 N ATOM 1045 CA ASP A 68 2.865 9.199 6.601 1.00 0.00 C ATOM 1046 C ASP A 68 3.987 8.493 5.850 1.00 0.00 C ATOM 1047 O ASP A 68 5.019 8.134 6.419 1.00 0.00 O ATOM 1048 CB ASP A 68 3.384 10.462 7.304 1.00 0.00 C ATOM 1049 CG ASP A 68 4.362 10.173 8.430 1.00 0.00 C ATOM 1050 OD1 ASP A 68 3.937 9.619 9.467 1.00 0.00 O ATOM 1051 OD2 ASP A 68 5.549 10.543 8.305 1.00 0.00 O ATOM 0 H ASP A 68 2.673 8.261 8.462 1.00 0.00 H new ATOM 0 HA ASP A 68 2.113 9.509 5.875 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.869 11.104 6.568 1.00 0.00 H new ATOM 0 HB3 ASP A 68 2.537 11.019 7.704 1.00 0.00 H new ATOM 1056 N ILE A 69 3.748 8.256 4.574 1.00 0.00 N ATOM 1057 CA ILE A 69 4.745 7.671 3.696 1.00 0.00 C ATOM 1058 C ILE A 69 5.317 8.753 2.790 1.00 0.00 C ATOM 1059 O ILE A 69 4.600 9.322 1.972 1.00 0.00 O ATOM 1060 CB ILE A 69 4.141 6.546 2.824 1.00 0.00 C ATOM 1061 CG1 ILE A 69 3.485 5.478 3.704 1.00 0.00 C ATOM 1062 CG2 ILE A 69 5.214 5.923 1.937 1.00 0.00 C ATOM 1063 CD1 ILE A 69 2.766 4.399 2.919 1.00 0.00 C ATOM 0 H ILE A 69 2.860 8.463 4.117 1.00 0.00 H new ATOM 0 HA ILE A 69 5.530 7.239 4.316 1.00 0.00 H new ATOM 0 HB ILE A 69 3.375 6.981 2.183 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.249 5.013 4.327 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.775 5.960 4.376 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.771 5.133 1.330 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.636 6.688 1.285 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.003 5.502 2.561 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.327 3.679 3.609 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.978 4.851 2.316 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.475 3.890 2.266 1.00 0.00 H new ATOM 1075 N PRO A 70 6.601 9.080 2.946 1.00 0.00 N ATOM 1076 CA PRO A 70 7.256 10.087 2.114 1.00 0.00 C ATOM 1077 C PRO A 70 7.193 9.732 0.635 1.00 0.00 C ATOM 1078 O PRO A 70 7.630 8.658 0.229 1.00 0.00 O ATOM 1079 CB PRO A 70 8.708 10.081 2.608 1.00 0.00 C ATOM 1080 CG PRO A 70 8.644 9.492 3.975 1.00 0.00 C ATOM 1081 CD PRO A 70 7.515 8.503 3.944 1.00 0.00 C ATOM 0 HA PRO A 70 6.775 11.062 2.198 1.00 0.00 H new ATOM 0 HB2 PRO A 70 9.346 9.489 1.952 1.00 0.00 H new ATOM 0 HB3 PRO A 70 9.122 11.089 2.631 1.00 0.00 H new ATOM 0 HG2 PRO A 70 9.584 9.004 4.235 1.00 0.00 H new ATOM 0 HG3 PRO A 70 8.467 10.263 4.725 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.856 7.509 3.653 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.038 8.403 4.919 1.00 0.00 H new ATOM 1089 N LEU A 71 6.629 10.633 -0.165 1.00 0.00 N ATOM 1090 CA LEU A 71 6.585 10.449 -1.612 1.00 0.00 C ATOM 1091 C LEU A 71 8.000 10.497 -2.163 1.00 0.00 C ATOM 1092 O LEU A 71 8.313 9.898 -3.194 1.00 0.00 O ATOM 1093 CB LEU A 71 5.725 11.533 -2.270 1.00 0.00 C ATOM 1094 CG LEU A 71 4.230 11.455 -1.958 1.00 0.00 C ATOM 1095 CD1 LEU A 71 3.502 12.662 -2.525 1.00 0.00 C ATOM 1096 CD2 LEU A 71 3.641 10.173 -2.522 1.00 0.00 C ATOM 0 H LEU A 71 6.197 11.496 0.164 1.00 0.00 H new ATOM 0 HA LEU A 71 6.137 9.481 -1.835 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.095 12.509 -1.956 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.858 11.474 -3.350 1.00 0.00 H new ATOM 0 HG LEU A 71 4.104 11.453 -0.875 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.440 12.588 -2.293 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.908 13.572 -2.083 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.636 12.693 -3.606 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.576 10.130 -2.293 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.781 10.153 -3.603 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.143 9.315 -2.076 1.00 0.00 H new ATOM 1217 N VAL A 80 14.095 -1.423 0.866 1.00 0.00 N ATOM 1218 CA VAL A 80 13.974 -2.865 0.981 1.00 0.00 C ATOM 1219 C VAL A 80 13.439 -3.445 -0.318 1.00 0.00 C ATOM 1220 O VAL A 80 12.238 -3.387 -0.587 1.00 0.00 O ATOM 1221 CB VAL A 80 13.050 -3.278 2.150 1.00 0.00 C ATOM 1222 CG1 VAL A 80 13.011 -4.795 2.308 1.00 0.00 C ATOM 1223 CG2 VAL A 80 13.496 -2.604 3.440 1.00 0.00 C ATOM 0 HA VAL A 80 14.969 -3.261 1.185 1.00 0.00 H new ATOM 0 HB VAL A 80 12.037 -2.945 1.922 1.00 0.00 H new ATOM 0 HG11 VAL A 80 12.354 -5.058 3.137 1.00 0.00 H new ATOM 0 HG12 VAL A 80 12.635 -5.247 1.390 1.00 0.00 H new ATOM 0 HG13 VAL A 80 14.016 -5.166 2.510 1.00 0.00 H new ATOM 0 HG21 VAL A 80 12.836 -2.904 4.254 1.00 0.00 H new ATOM 0 HG22 VAL A 80 14.518 -2.903 3.672 1.00 0.00 H new ATOM 0 HG23 VAL A 80 13.453 -1.522 3.319 1.00 0.00 H new ATOM 1233 N ARG A 81 14.343 -3.975 -1.128 1.00 0.00 N ATOM 1234 CA ARG A 81 13.970 -4.566 -2.399 1.00 0.00 C ATOM 1235 C ARG A 81 13.642 -6.036 -2.188 1.00 0.00 C ATOM 1236 O ARG A 81 14.517 -6.902 -2.232 1.00 0.00 O ATOM 1237 CB ARG A 81 15.096 -4.391 -3.426 1.00 0.00 C ATOM 1238 CG ARG A 81 14.661 -4.648 -4.860 1.00 0.00 C ATOM 1239 CD ARG A 81 15.765 -4.319 -5.856 1.00 0.00 C ATOM 1240 NE ARG A 81 16.879 -5.272 -5.801 1.00 0.00 N ATOM 1241 CZ ARG A 81 18.001 -5.143 -6.516 1.00 0.00 C ATOM 1242 NH1 ARG A 81 18.189 -4.067 -7.274 1.00 0.00 N ATOM 1243 NH2 ARG A 81 18.936 -6.084 -6.468 1.00 0.00 N ATOM 0 H ARG A 81 15.342 -4.007 -0.925 1.00 0.00 H new ATOM 0 HA ARG A 81 13.088 -4.060 -2.792 1.00 0.00 H new ATOM 0 HB2 ARG A 81 15.490 -3.377 -3.351 1.00 0.00 H new ATOM 0 HB3 ARG A 81 15.912 -5.069 -3.176 1.00 0.00 H new ATOM 0 HG2 ARG A 81 14.373 -5.693 -4.970 1.00 0.00 H new ATOM 0 HG3 ARG A 81 13.779 -4.049 -5.085 1.00 0.00 H new ATOM 0 HD2 ARG A 81 15.349 -4.310 -6.863 1.00 0.00 H new ATOM 0 HD3 ARG A 81 16.141 -3.315 -5.657 1.00 0.00 H new ATOM 0 HE ARG A 81 16.792 -6.078 -5.182 1.00 0.00 H new ATOM 0 HH11 ARG A 81 17.476 -3.338 -7.311 1.00 0.00 H new ATOM 0 HH12 ARG A 81 19.046 -3.970 -7.819 1.00 0.00 H new ATOM 0 HH21 ARG A 81 18.800 -6.909 -5.884 1.00 0.00 H new ATOM 0 HH22 ARG A 81 19.791 -5.982 -7.015 1.00 0.00 H new ATOM 1257 N TYR A 82 12.377 -6.297 -1.921 1.00 0.00 N ATOM 1258 CA TYR A 82 11.915 -7.631 -1.591 1.00 0.00 C ATOM 1259 C TYR A 82 11.438 -8.342 -2.853 1.00 0.00 C ATOM 1260 O TYR A 82 10.668 -7.784 -3.635 1.00 0.00 O ATOM 1261 CB TYR A 82 10.785 -7.528 -0.558 1.00 0.00 C ATOM 1262 CG TYR A 82 10.412 -8.837 0.097 1.00 0.00 C ATOM 1263 CD1 TYR A 82 11.332 -9.540 0.863 1.00 0.00 C ATOM 1264 CD2 TYR A 82 9.134 -9.361 -0.037 1.00 0.00 C ATOM 1265 CE1 TYR A 82 10.989 -10.731 1.474 1.00 0.00 C ATOM 1266 CE2 TYR A 82 8.783 -10.551 0.569 1.00 0.00 C ATOM 1267 CZ TYR A 82 9.713 -11.233 1.323 1.00 0.00 C ATOM 1268 OH TYR A 82 9.365 -12.421 1.931 1.00 0.00 O ATOM 0 H TYR A 82 11.641 -5.591 -1.927 1.00 0.00 H new ATOM 0 HA TYR A 82 12.732 -8.213 -1.164 1.00 0.00 H new ATOM 0 HB2 TYR A 82 11.082 -6.821 0.216 1.00 0.00 H new ATOM 0 HB3 TYR A 82 9.901 -7.116 -1.045 1.00 0.00 H new ATOM 0 HD1 TYR A 82 12.332 -9.150 0.983 1.00 0.00 H new ATOM 0 HD2 TYR A 82 8.401 -8.829 -0.625 1.00 0.00 H new ATOM 0 HE1 TYR A 82 11.716 -11.266 2.067 1.00 0.00 H new ATOM 0 HE2 TYR A 82 7.784 -10.945 0.453 1.00 0.00 H new ATOM 0 HH TYR A 82 8.430 -12.632 1.725 1.00 0.00 H new ATOM 1278 N GLN A 83 11.917 -9.558 -3.067 1.00 0.00 N ATOM 1279 CA GLN A 83 11.514 -10.334 -4.232 1.00 0.00 C ATOM 1280 C GLN A 83 10.147 -10.960 -4.005 1.00 0.00 C ATOM 1281 O GLN A 83 9.979 -11.809 -3.129 1.00 0.00 O ATOM 1282 CB GLN A 83 12.547 -11.418 -4.545 1.00 0.00 C ATOM 1283 CG GLN A 83 13.895 -10.864 -4.987 1.00 0.00 C ATOM 1284 CD GLN A 83 14.897 -11.948 -5.337 1.00 0.00 C ATOM 1285 OE1 GLN A 83 15.761 -11.754 -6.190 1.00 0.00 O ATOM 1286 NE2 GLN A 83 14.794 -13.095 -4.681 1.00 0.00 N ATOM 0 H GLN A 83 12.582 -10.028 -2.453 1.00 0.00 H new ATOM 0 HA GLN A 83 11.453 -9.660 -5.086 1.00 0.00 H new ATOM 0 HB2 GLN A 83 12.691 -12.038 -3.660 1.00 0.00 H new ATOM 0 HB3 GLN A 83 12.155 -12.067 -5.329 1.00 0.00 H new ATOM 0 HG2 GLN A 83 13.750 -10.218 -5.853 1.00 0.00 H new ATOM 0 HG3 GLN A 83 14.304 -10.242 -4.191 1.00 0.00 H new ATOM 0 HE21 GLN A 83 14.063 -13.218 -3.980 1.00 0.00 H new ATOM 0 HE22 GLN A 83 15.445 -13.855 -4.877 1.00 0.00 H new ATOM 1295 N MET A 84 9.176 -10.533 -4.792 1.00 0.00 N ATOM 1296 CA MET A 84 7.818 -11.017 -4.655 1.00 0.00 C ATOM 1297 C MET A 84 7.502 -11.989 -5.783 1.00 0.00 C ATOM 1298 O MET A 84 8.096 -11.912 -6.861 1.00 0.00 O ATOM 1299 CB MET A 84 6.835 -9.847 -4.672 1.00 0.00 C ATOM 1300 CG MET A 84 5.732 -9.976 -3.636 1.00 0.00 C ATOM 1301 SD MET A 84 6.384 -10.025 -1.954 1.00 0.00 S ATOM 1302 CE MET A 84 4.894 -10.289 -1.001 1.00 0.00 C ATOM 0 H MET A 84 9.306 -9.848 -5.536 1.00 0.00 H new ATOM 0 HA MET A 84 7.720 -11.536 -3.702 1.00 0.00 H new ATOM 0 HB2 MET A 84 7.381 -8.920 -4.498 1.00 0.00 H new ATOM 0 HB3 MET A 84 6.387 -9.772 -5.663 1.00 0.00 H new ATOM 0 HG2 MET A 84 5.044 -9.136 -3.733 1.00 0.00 H new ATOM 0 HG3 MET A 84 5.158 -10.883 -3.829 1.00 0.00 H new ATOM 0 HE1 MET A 84 5.068 -11.072 -0.263 1.00 0.00 H new ATOM 0 HE2 MET A 84 4.619 -9.365 -0.492 1.00 0.00 H new ATOM 0 HE3 MET A 84 4.085 -10.591 -1.666 1.00 0.00 H new ATOM 1312 N LEU A 85 6.556 -12.882 -5.548 1.00 0.00 N ATOM 1313 CA LEU A 85 6.199 -13.888 -6.527 1.00 0.00 C ATOM 1314 C LEU A 85 4.716 -13.802 -6.825 1.00 0.00 C ATOM 1315 O LEU A 85 3.888 -14.455 -6.186 1.00 0.00 O ATOM 1316 CB LEU A 85 6.558 -15.290 -6.039 1.00 0.00 C ATOM 1317 CG LEU A 85 6.216 -16.413 -7.017 1.00 0.00 C ATOM 1318 CD1 LEU A 85 7.095 -16.335 -8.251 1.00 0.00 C ATOM 1319 CD2 LEU A 85 6.360 -17.760 -6.340 1.00 0.00 C ATOM 0 H LEU A 85 6.020 -12.929 -4.682 1.00 0.00 H new ATOM 0 HA LEU A 85 6.766 -13.698 -7.438 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.627 -15.324 -5.827 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.041 -15.476 -5.098 1.00 0.00 H new ATOM 0 HG LEU A 85 5.180 -16.294 -7.333 1.00 0.00 H new ATOM 0 HD11 LEU A 85 6.835 -17.143 -8.934 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.941 -15.377 -8.747 1.00 0.00 H new ATOM 0 HD13 LEU A 85 8.141 -16.429 -7.959 1.00 0.00 H new ATOM 0 HD21 LEU A 85 6.113 -18.551 -7.048 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.387 -17.887 -5.997 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.684 -17.813 -5.487 1.00 0.00 H new ATOM 1331 N VAL A 86 4.386 -12.962 -7.775 1.00 0.00 N ATOM 1332 CA VAL A 86 3.000 -12.748 -8.150 1.00 0.00 C ATOM 1333 C VAL A 86 2.546 -13.853 -9.089 1.00 0.00 C ATOM 1334 O VAL A 86 2.759 -13.781 -10.301 1.00 0.00 O ATOM 1335 CB VAL A 86 2.786 -11.377 -8.822 1.00 0.00 C ATOM 1336 CG1 VAL A 86 1.307 -11.062 -8.948 1.00 0.00 C ATOM 1337 CG2 VAL A 86 3.490 -10.281 -8.048 1.00 0.00 C ATOM 0 H VAL A 86 5.058 -12.410 -8.308 1.00 0.00 H new ATOM 0 HA VAL A 86 2.406 -12.765 -7.236 1.00 0.00 H new ATOM 0 HB VAL A 86 3.216 -11.425 -9.822 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.181 -10.090 -9.425 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.822 -11.828 -9.553 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.854 -11.041 -7.957 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.325 -9.323 -8.541 1.00 0.00 H new ATOM 0 HG22 VAL A 86 3.094 -10.240 -7.033 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.559 -10.490 -8.012 1.00 0.00 H new ATOM 1347 N GLY A 87 1.966 -14.897 -8.515 1.00 0.00 N ATOM 1348 CA GLY A 87 1.528 -16.030 -9.299 1.00 0.00 C ATOM 1349 C GLY A 87 2.692 -16.904 -9.712 1.00 0.00 C ATOM 1350 O GLY A 87 2.968 -17.924 -9.080 1.00 0.00 O ATOM 0 H GLY A 87 1.791 -14.978 -7.513 1.00 0.00 H new ATOM 0 HA2 GLY A 87 0.816 -16.620 -8.721 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.003 -15.678 -10.187 1.00 0.00 H new ATOM 1354 N GLU A 88 3.377 -16.491 -10.771 1.00 0.00 N ATOM 1355 CA GLU A 88 4.538 -17.216 -11.271 1.00 0.00 C ATOM 1356 C GLU A 88 5.636 -16.247 -11.707 1.00 0.00 C ATOM 1357 O GLU A 88 6.627 -16.659 -12.305 1.00 0.00 O ATOM 1358 CB GLU A 88 4.152 -18.114 -12.455 1.00 0.00 C ATOM 1359 CG GLU A 88 3.161 -19.215 -12.107 1.00 0.00 C ATOM 1360 CD GLU A 88 2.786 -20.056 -13.306 1.00 0.00 C ATOM 1361 OE1 GLU A 88 2.005 -19.574 -14.154 1.00 0.00 O ATOM 1362 OE2 GLU A 88 3.270 -21.203 -13.415 1.00 0.00 O ATOM 0 H GLU A 88 3.146 -15.652 -11.303 1.00 0.00 H new ATOM 0 HA GLU A 88 4.913 -17.839 -10.459 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.726 -17.493 -13.243 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.056 -18.569 -12.861 1.00 0.00 H new ATOM 0 HG2 GLU A 88 3.591 -19.856 -11.337 1.00 0.00 H new ATOM 0 HG3 GLU A 88 2.261 -18.769 -11.684 1.00 0.00 H new ATOM 1369 N GLN A 89 5.470 -14.965 -11.398 1.00 0.00 N ATOM 1370 CA GLN A 89 6.428 -13.962 -11.839 1.00 0.00 C ATOM 1371 C GLN A 89 7.198 -13.400 -10.650 1.00 0.00 C ATOM 1372 O GLN A 89 6.636 -12.693 -9.809 1.00 0.00 O ATOM 1373 CB GLN A 89 5.713 -12.833 -12.587 1.00 0.00 C ATOM 1374 CG GLN A 89 6.642 -12.001 -13.461 1.00 0.00 C ATOM 1375 CD GLN A 89 5.908 -10.970 -14.300 1.00 0.00 C ATOM 1376 OE1 GLN A 89 5.464 -11.258 -15.412 1.00 0.00 O ATOM 1377 NE2 GLN A 89 5.795 -9.755 -13.785 1.00 0.00 N ATOM 0 H GLN A 89 4.690 -14.601 -10.850 1.00 0.00 H new ATOM 0 HA GLN A 89 7.136 -14.438 -12.518 1.00 0.00 H new ATOM 0 HB2 GLN A 89 4.927 -13.261 -13.210 1.00 0.00 H new ATOM 0 HB3 GLN A 89 5.226 -12.180 -11.863 1.00 0.00 H new ATOM 0 HG2 GLN A 89 7.369 -11.493 -12.827 1.00 0.00 H new ATOM 0 HG3 GLN A 89 7.202 -12.665 -14.120 1.00 0.00 H new ATOM 0 HE21 GLN A 89 6.176 -9.556 -12.860 1.00 0.00 H new ATOM 0 HE22 GLN A 89 5.327 -9.019 -14.313 1.00 0.00 H new ATOM 1386 N THR A 90 8.478 -13.730 -10.580 1.00 0.00 N ATOM 1387 CA THR A 90 9.334 -13.253 -9.509 1.00 0.00 C ATOM 1388 C THR A 90 9.873 -11.864 -9.843 1.00 0.00 C ATOM 1389 O THR A 90 10.700 -11.708 -10.745 1.00 0.00 O ATOM 1390 CB THR A 90 10.512 -14.214 -9.283 1.00 0.00 C ATOM 1391 OG1 THR A 90 10.065 -15.568 -9.423 1.00 0.00 O ATOM 1392 CG2 THR A 90 11.115 -14.019 -7.903 1.00 0.00 C ATOM 0 H THR A 90 8.948 -14.330 -11.258 1.00 0.00 H new ATOM 0 HA THR A 90 8.738 -13.203 -8.598 1.00 0.00 H new ATOM 0 HB THR A 90 11.277 -13.999 -10.029 1.00 0.00 H new ATOM 0 HG1 THR A 90 10.819 -16.178 -9.280 1.00 0.00 H new ATOM 0 HG21 THR A 90 11.946 -14.711 -7.768 1.00 0.00 H new ATOM 0 HG22 THR A 90 11.475 -12.995 -7.805 1.00 0.00 H new ATOM 0 HG23 THR A 90 10.357 -14.211 -7.144 1.00 0.00 H new ATOM 1400 N VAL A 91 9.391 -10.862 -9.123 1.00 0.00 N ATOM 1401 CA VAL A 91 9.753 -9.475 -9.384 1.00 0.00 C ATOM 1402 C VAL A 91 10.149 -8.767 -8.094 1.00 0.00 C ATOM 1403 O VAL A 91 9.652 -9.100 -7.018 1.00 0.00 O ATOM 1404 CB VAL A 91 8.594 -8.708 -10.059 1.00 0.00 C ATOM 1405 CG1 VAL A 91 8.473 -9.104 -11.522 1.00 0.00 C ATOM 1406 CG2 VAL A 91 7.280 -8.968 -9.330 1.00 0.00 C ATOM 0 H VAL A 91 8.742 -10.985 -8.346 1.00 0.00 H new ATOM 0 HA VAL A 91 10.605 -9.485 -10.063 1.00 0.00 H new ATOM 0 HB VAL A 91 8.814 -7.642 -10.005 1.00 0.00 H new ATOM 0 HG11 VAL A 91 7.652 -8.554 -11.981 1.00 0.00 H new ATOM 0 HG12 VAL A 91 9.402 -8.868 -12.041 1.00 0.00 H new ATOM 0 HG13 VAL A 91 8.278 -10.174 -11.594 1.00 0.00 H new ATOM 0 HG21 VAL A 91 6.477 -8.419 -9.821 1.00 0.00 H new ATOM 0 HG22 VAL A 91 7.057 -10.035 -9.352 1.00 0.00 H new ATOM 0 HG23 VAL A 91 7.366 -8.637 -8.295 1.00 0.00 H new ATOM 1416 N ASP A 92 11.050 -7.802 -8.204 1.00 0.00 N ATOM 1417 CA ASP A 92 11.520 -7.055 -7.043 1.00 0.00 C ATOM 1418 C ASP A 92 10.615 -5.862 -6.756 1.00 0.00 C ATOM 1419 O ASP A 92 10.303 -5.065 -7.641 1.00 0.00 O ATOM 1420 CB ASP A 92 12.966 -6.586 -7.249 1.00 0.00 C ATOM 1421 CG ASP A 92 13.140 -5.711 -8.478 1.00 0.00 C ATOM 1422 OD1 ASP A 92 13.201 -6.266 -9.598 1.00 0.00 O ATOM 1423 OD2 ASP A 92 13.230 -4.470 -8.329 1.00 0.00 O ATOM 0 H ASP A 92 11.472 -7.516 -9.087 1.00 0.00 H new ATOM 0 HA ASP A 92 11.489 -7.723 -6.182 1.00 0.00 H new ATOM 0 HB2 ASP A 92 13.291 -6.033 -6.368 1.00 0.00 H new ATOM 0 HB3 ASP A 92 13.615 -7.457 -7.336 1.00 0.00 H new ATOM 1428 N VAL A 93 10.178 -5.759 -5.516 1.00 0.00 N ATOM 1429 CA VAL A 93 9.336 -4.652 -5.089 1.00 0.00 C ATOM 1430 C VAL A 93 9.965 -3.950 -3.894 1.00 0.00 C ATOM 1431 O VAL A 93 10.726 -4.557 -3.145 1.00 0.00 O ATOM 1432 CB VAL A 93 7.910 -5.125 -4.722 1.00 0.00 C ATOM 1433 CG1 VAL A 93 7.204 -5.712 -5.935 1.00 0.00 C ATOM 1434 CG2 VAL A 93 7.955 -6.145 -3.592 1.00 0.00 C ATOM 0 H VAL A 93 10.392 -6.432 -4.780 1.00 0.00 H new ATOM 0 HA VAL A 93 9.256 -3.957 -5.925 1.00 0.00 H new ATOM 0 HB VAL A 93 7.345 -4.257 -4.383 1.00 0.00 H new ATOM 0 HG11 VAL A 93 6.203 -6.037 -5.651 1.00 0.00 H new ATOM 0 HG12 VAL A 93 7.132 -4.955 -6.716 1.00 0.00 H new ATOM 0 HG13 VAL A 93 7.771 -6.565 -6.308 1.00 0.00 H new ATOM 0 HG21 VAL A 93 6.941 -6.464 -3.350 1.00 0.00 H new ATOM 0 HG22 VAL A 93 8.543 -7.008 -3.904 1.00 0.00 H new ATOM 0 HG23 VAL A 93 8.413 -5.693 -2.712 1.00 0.00 H new ATOM 1444 N VAL A 94 9.666 -2.674 -3.727 1.00 0.00 N ATOM 1445 CA VAL A 94 10.202 -1.912 -2.609 1.00 0.00 C ATOM 1446 C VAL A 94 9.201 -1.873 -1.468 1.00 0.00 C ATOM 1447 O VAL A 94 8.004 -1.717 -1.695 1.00 0.00 O ATOM 1448 CB VAL A 94 10.563 -0.465 -3.018 1.00 0.00 C ATOM 1449 CG1 VAL A 94 11.088 0.329 -1.831 1.00 0.00 C ATOM 1450 CG2 VAL A 94 11.585 -0.470 -4.138 1.00 0.00 C ATOM 0 H VAL A 94 9.056 -2.143 -4.349 1.00 0.00 H new ATOM 0 HA VAL A 94 11.114 -2.415 -2.286 1.00 0.00 H new ATOM 0 HB VAL A 94 9.653 0.018 -3.373 1.00 0.00 H new ATOM 0 HG11 VAL A 94 11.333 1.342 -2.151 1.00 0.00 H new ATOM 0 HG12 VAL A 94 10.325 0.368 -1.053 1.00 0.00 H new ATOM 0 HG13 VAL A 94 11.983 -0.154 -1.437 1.00 0.00 H new ATOM 0 HG21 VAL A 94 11.828 0.556 -4.414 1.00 0.00 H new ATOM 0 HG22 VAL A 94 12.489 -0.979 -3.804 1.00 0.00 H new ATOM 0 HG23 VAL A 94 11.174 -0.990 -5.003 1.00 0.00 H new ATOM 1460 N ASP A 95 9.690 -2.051 -0.256 1.00 0.00 N ATOM 1461 CA ASP A 95 8.861 -1.901 0.927 1.00 0.00 C ATOM 1462 C ASP A 95 8.850 -0.445 1.362 1.00 0.00 C ATOM 1463 O ASP A 95 9.905 0.145 1.607 1.00 0.00 O ATOM 1464 CB ASP A 95 9.376 -2.786 2.059 1.00 0.00 C ATOM 1465 CG ASP A 95 8.577 -2.627 3.333 1.00 0.00 C ATOM 1466 OD1 ASP A 95 7.424 -3.100 3.382 1.00 0.00 O ATOM 1467 OD2 ASP A 95 9.108 -2.048 4.302 1.00 0.00 O ATOM 0 H ASP A 95 10.660 -2.300 -0.063 1.00 0.00 H new ATOM 0 HA ASP A 95 7.844 -2.211 0.686 1.00 0.00 H new ATOM 0 HB2 ASP A 95 9.344 -3.829 1.743 1.00 0.00 H new ATOM 0 HB3 ASP A 95 10.420 -2.545 2.257 1.00 0.00 H new ATOM 1472 N GLU A 96 7.662 0.127 1.461 1.00 0.00 N ATOM 1473 CA GLU A 96 7.520 1.549 1.748 1.00 0.00 C ATOM 1474 C GLU A 96 7.609 1.824 3.247 1.00 0.00 C ATOM 1475 O GLU A 96 7.404 2.953 3.698 1.00 0.00 O ATOM 1476 CB GLU A 96 6.188 2.062 1.203 1.00 0.00 C ATOM 1477 CG GLU A 96 5.961 1.730 -0.263 1.00 0.00 C ATOM 1478 CD GLU A 96 7.081 2.215 -1.160 1.00 0.00 C ATOM 1479 OE1 GLU A 96 7.113 3.420 -1.484 1.00 0.00 O ATOM 1480 OE2 GLU A 96 7.920 1.388 -1.578 1.00 0.00 O ATOM 0 H GLU A 96 6.779 -0.370 1.347 1.00 0.00 H new ATOM 0 HA GLU A 96 8.339 2.075 1.258 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.376 1.637 1.793 1.00 0.00 H new ATOM 0 HB3 GLU A 96 6.144 3.143 1.333 1.00 0.00 H new ATOM 0 HG2 GLU A 96 5.856 0.651 -0.373 1.00 0.00 H new ATOM 0 HG3 GLU A 96 5.022 2.177 -0.590 1.00 0.00 H new ATOM 1487 N GLY A 97 7.911 0.788 4.014 1.00 0.00 N ATOM 1488 CA GLY A 97 8.052 0.943 5.441 1.00 0.00 C ATOM 1489 C GLY A 97 7.429 -0.202 6.204 1.00 0.00 C ATOM 1490 O GLY A 97 6.257 -0.526 6.016 1.00 0.00 O ATOM 0 H GLY A 97 8.061 -0.160 3.669 1.00 0.00 H new ATOM 0 HA2 GLY A 97 9.110 1.013 5.694 1.00 0.00 H new ATOM 0 HA3 GLY A 97 7.587 1.879 5.751 1.00 0.00 H new ATOM 1494 N GLU A 98 8.208 -0.815 7.080 1.00 0.00 N ATOM 1495 CA GLU A 98 7.711 -1.913 7.891 1.00 0.00 C ATOM 1496 C GLU A 98 6.664 -1.407 8.881 1.00 0.00 C ATOM 1497 O GLU A 98 5.862 -2.180 9.408 1.00 0.00 O ATOM 1498 CB GLU A 98 8.858 -2.591 8.630 1.00 0.00 C ATOM 1499 CG GLU A 98 8.485 -3.949 9.197 1.00 0.00 C ATOM 1500 CD GLU A 98 9.599 -4.554 10.013 1.00 0.00 C ATOM 1501 OE1 GLU A 98 10.582 -5.044 9.419 1.00 0.00 O ATOM 1502 OE2 GLU A 98 9.502 -4.531 11.256 1.00 0.00 O ATOM 0 H GLU A 98 9.184 -0.572 7.247 1.00 0.00 H new ATOM 0 HA GLU A 98 7.243 -2.647 7.234 1.00 0.00 H new ATOM 0 HB2 GLU A 98 9.701 -2.708 7.949 1.00 0.00 H new ATOM 0 HB3 GLU A 98 9.191 -1.945 9.442 1.00 0.00 H new ATOM 0 HG2 GLU A 98 7.595 -3.849 9.819 1.00 0.00 H new ATOM 0 HG3 GLU A 98 8.229 -4.623 8.380 1.00 0.00 H new ATOM 1509 N LEU A 99 6.673 -0.101 9.131 1.00 0.00 N ATOM 1510 CA LEU A 99 5.632 0.518 9.937 1.00 0.00 C ATOM 1511 C LEU A 99 4.309 0.469 9.178 1.00 0.00 C ATOM 1512 O LEU A 99 3.243 0.320 9.772 1.00 0.00 O ATOM 1513 CB LEU A 99 6.001 1.964 10.281 1.00 0.00 C ATOM 1514 CG LEU A 99 5.022 2.686 11.213 1.00 0.00 C ATOM 1515 CD1 LEU A 99 4.923 1.967 12.551 1.00 0.00 C ATOM 1516 CD2 LEU A 99 5.447 4.134 11.411 1.00 0.00 C ATOM 0 H LEU A 99 7.386 0.543 8.789 1.00 0.00 H new ATOM 0 HA LEU A 99 5.531 -0.032 10.872 1.00 0.00 H new ATOM 0 HB2 LEU A 99 6.988 1.969 10.743 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.080 2.532 9.354 1.00 0.00 H new ATOM 0 HG LEU A 99 4.036 2.677 10.749 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.223 2.496 13.197 1.00 0.00 H new ATOM 0 HD12 LEU A 99 4.570 0.948 12.391 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.905 1.941 13.024 1.00 0.00 H new ATOM 0 HD21 LEU A 99 4.741 4.633 12.075 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.443 4.164 11.852 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.461 4.644 10.448 1.00 0.00 H new ATOM 1528 N ALA A 100 4.395 0.574 7.854 1.00 0.00 N ATOM 1529 CA ALA A 100 3.227 0.449 6.994 1.00 0.00 C ATOM 1530 C ALA A 100 2.716 -0.983 7.021 1.00 0.00 C ATOM 1531 O ALA A 100 1.508 -1.231 6.994 1.00 0.00 O ATOM 1532 CB ALA A 100 3.563 0.869 5.568 1.00 0.00 C ATOM 0 H ALA A 100 5.267 0.746 7.354 1.00 0.00 H new ATOM 0 HA ALA A 100 2.445 1.110 7.367 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.677 0.768 4.941 1.00 0.00 H new ATOM 0 HB2 ALA A 100 3.895 1.907 5.563 1.00 0.00 H new ATOM 0 HB3 ALA A 100 4.357 0.232 5.179 1.00 0.00 H new ATOM 1538 N ALA A 101 3.654 -1.922 7.079 1.00 0.00 N ATOM 1539 CA ALA A 101 3.324 -3.333 7.222 1.00 0.00 C ATOM 1540 C ALA A 101 2.504 -3.564 8.486 1.00 0.00 C ATOM 1541 O ALA A 101 1.407 -4.117 8.433 1.00 0.00 O ATOM 1542 CB ALA A 101 4.591 -4.172 7.251 1.00 0.00 C ATOM 0 H ALA A 101 4.654 -1.728 7.029 1.00 0.00 H new ATOM 0 HA ALA A 101 2.726 -3.637 6.363 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.328 -5.224 7.358 1.00 0.00 H new ATOM 0 HB2 ALA A 101 5.144 -4.029 6.322 1.00 0.00 H new ATOM 0 HB3 ALA A 101 5.211 -3.865 8.093 1.00 0.00 H new ATOM 1548 N ALA A 102 3.035 -3.110 9.617 1.00 0.00 N ATOM 1549 CA ALA A 102 2.360 -3.258 10.903 1.00 0.00 C ATOM 1550 C ALA A 102 1.013 -2.543 10.901 1.00 0.00 C ATOM 1551 O ALA A 102 0.031 -3.051 11.445 1.00 0.00 O ATOM 1552 CB ALA A 102 3.243 -2.727 12.023 1.00 0.00 C ATOM 0 H ALA A 102 3.936 -2.634 9.669 1.00 0.00 H new ATOM 0 HA ALA A 102 2.176 -4.319 11.072 1.00 0.00 H new ATOM 0 HB1 ALA A 102 2.729 -2.843 12.977 1.00 0.00 H new ATOM 0 HB2 ALA A 102 4.179 -3.286 12.045 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.455 -1.672 11.850 1.00 0.00 H new ATOM 1558 N TRP A 103 0.975 -1.375 10.269 1.00 0.00 N ATOM 1559 CA TRP A 103 -0.244 -0.578 10.167 1.00 0.00 C ATOM 1560 C TRP A 103 -1.389 -1.402 9.573 1.00 0.00 C ATOM 1561 O TRP A 103 -2.505 -1.411 10.104 1.00 0.00 O ATOM 1562 CB TRP A 103 0.034 0.668 9.317 1.00 0.00 C ATOM 1563 CG TRP A 103 -1.133 1.594 9.154 1.00 0.00 C ATOM 1564 CD1 TRP A 103 -1.681 2.408 10.104 1.00 0.00 C ATOM 1565 CD2 TRP A 103 -1.875 1.825 7.952 1.00 0.00 C ATOM 1566 NE1 TRP A 103 -2.725 3.123 9.567 1.00 0.00 N ATOM 1567 CE2 TRP A 103 -2.863 2.782 8.247 1.00 0.00 C ATOM 1568 CE3 TRP A 103 -1.802 1.311 6.653 1.00 0.00 C ATOM 1569 CZ2 TRP A 103 -3.768 3.237 7.292 1.00 0.00 C ATOM 1570 CZ3 TRP A 103 -2.701 1.763 5.708 1.00 0.00 C ATOM 1571 CH2 TRP A 103 -3.671 2.717 6.032 1.00 0.00 C ATOM 0 H TRP A 103 1.785 -0.954 9.814 1.00 0.00 H new ATOM 0 HA TRP A 103 -0.551 -0.267 11.166 1.00 0.00 H new ATOM 0 HB2 TRP A 103 0.858 1.221 9.768 1.00 0.00 H new ATOM 0 HB3 TRP A 103 0.367 0.349 8.329 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -1.343 2.479 11.127 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -3.303 3.797 10.069 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -1.056 0.574 6.394 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -4.519 3.973 7.538 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -2.655 1.373 4.702 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -4.359 3.050 5.269 1.00 0.00 H new ATOM 1582 N ILE A 104 -1.111 -2.119 8.491 1.00 0.00 N ATOM 1583 CA ILE A 104 -2.137 -2.936 7.863 1.00 0.00 C ATOM 1584 C ILE A 104 -2.230 -4.305 8.543 1.00 0.00 C ATOM 1585 O ILE A 104 -3.260 -4.970 8.483 1.00 0.00 O ATOM 1586 CB ILE A 104 -1.913 -3.084 6.335 1.00 0.00 C ATOM 1587 CG1 ILE A 104 -3.247 -2.936 5.600 1.00 0.00 C ATOM 1588 CG2 ILE A 104 -1.274 -4.424 5.990 1.00 0.00 C ATOM 1589 CD1 ILE A 104 -3.974 -1.640 5.909 1.00 0.00 C ATOM 0 H ILE A 104 -0.198 -2.151 8.037 1.00 0.00 H new ATOM 0 HA ILE A 104 -3.088 -2.421 7.994 1.00 0.00 H new ATOM 0 HB ILE A 104 -1.229 -2.297 6.016 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -3.068 -2.995 4.526 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -3.891 -3.775 5.863 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -1.132 -4.492 4.911 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -0.308 -4.506 6.489 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -1.924 -5.233 6.323 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -4.910 -1.606 5.352 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -4.185 -1.587 6.977 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -3.349 -0.795 5.620 1.00 0.00 H new ATOM 1601 N SER A 105 -1.168 -4.713 9.226 1.00 0.00 N ATOM 1602 CA SER A 105 -1.212 -5.933 10.024 1.00 0.00 C ATOM 1603 C SER A 105 -2.166 -5.743 11.204 1.00 0.00 C ATOM 1604 O SER A 105 -2.578 -6.704 11.850 1.00 0.00 O ATOM 1605 CB SER A 105 0.186 -6.317 10.512 1.00 0.00 C ATOM 1606 OG SER A 105 1.051 -6.585 9.420 1.00 0.00 O ATOM 0 H SER A 105 -0.274 -4.223 9.244 1.00 0.00 H new ATOM 0 HA SER A 105 -1.580 -6.748 9.400 1.00 0.00 H new ATOM 0 HB2 SER A 105 0.598 -5.509 11.117 1.00 0.00 H new ATOM 0 HB3 SER A 105 0.122 -7.196 11.154 1.00 0.00 H new ATOM 0 HG SER A 105 1.150 -5.777 8.875 1.00 0.00 H new ATOM 1612 N ASN A 106 -2.503 -4.486 11.480 1.00 0.00 N ATOM 1613 CA ASN A 106 -3.541 -4.158 12.454 1.00 0.00 C ATOM 1614 C ASN A 106 -4.903 -4.066 11.766 1.00 0.00 C ATOM 1615 O ASN A 106 -5.866 -4.697 12.191 1.00 0.00 O ATOM 1616 CB ASN A 106 -3.234 -2.828 13.157 1.00 0.00 C ATOM 1617 CG ASN A 106 -2.135 -2.922 14.205 1.00 0.00 C ATOM 1618 OD1 ASN A 106 -2.152 -2.193 15.193 1.00 0.00 O ATOM 1619 ND2 ASN A 106 -1.172 -3.805 14.003 1.00 0.00 N ATOM 0 H ASN A 106 -2.070 -3.674 11.040 1.00 0.00 H new ATOM 0 HA ASN A 106 -3.563 -4.952 13.200 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -2.945 -2.091 12.408 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -4.144 -2.461 13.631 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -0.413 -3.896 14.679 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -1.188 -4.396 13.171 1.00 0.00 H new ATOM 1626 N HIS A 107 -4.971 -3.271 10.696 1.00 0.00 N ATOM 1627 CA HIS A 107 -6.229 -3.030 9.977 1.00 0.00 C ATOM 1628 C HIS A 107 -6.732 -4.288 9.262 1.00 0.00 C ATOM 1629 O HIS A 107 -7.914 -4.618 9.336 1.00 0.00 O ATOM 1630 CB HIS A 107 -6.046 -1.878 8.979 1.00 0.00 C ATOM 1631 CG HIS A 107 -7.252 -1.573 8.130 1.00 0.00 C ATOM 1632 ND1 HIS A 107 -8.271 -0.729 8.525 1.00 0.00 N ATOM 1633 CD2 HIS A 107 -7.578 -1.989 6.881 1.00 0.00 C ATOM 1634 CE1 HIS A 107 -9.166 -0.640 7.555 1.00 0.00 C ATOM 1635 NE2 HIS A 107 -8.767 -1.394 6.554 1.00 0.00 N ATOM 0 H HIS A 107 -4.167 -2.780 10.305 1.00 0.00 H new ATOM 0 HA HIS A 107 -6.986 -2.755 10.711 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -5.773 -0.979 9.531 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -5.209 -2.116 8.322 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -7.007 -2.663 6.260 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -10.070 -0.049 7.581 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -9.265 -1.516 5.672 1.00 0.00 H new ATOM 1644 N ALA A 108 -5.838 -4.967 8.557 1.00 0.00 N ATOM 1645 CA ALA A 108 -6.186 -6.198 7.860 1.00 0.00 C ATOM 1646 C ALA A 108 -6.149 -7.367 8.830 1.00 0.00 C ATOM 1647 O ALA A 108 -7.017 -8.238 8.807 1.00 0.00 O ATOM 1648 CB ALA A 108 -5.244 -6.450 6.691 1.00 0.00 C ATOM 0 H ALA A 108 -4.863 -4.685 8.452 1.00 0.00 H new ATOM 0 HA ALA A 108 -7.195 -6.095 7.461 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -5.527 -7.375 6.189 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -5.308 -5.621 5.987 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -4.222 -6.535 7.059 1.00 0.00 H new ATOM 1654 N GLY A 109 -5.127 -7.380 9.677 1.00 0.00 N ATOM 1655 CA GLY A 109 -5.045 -8.383 10.725 1.00 0.00 C ATOM 1656 C GLY A 109 -4.129 -9.536 10.372 1.00 0.00 C ATOM 1657 O GLY A 109 -3.781 -10.350 11.229 1.00 0.00 O ATOM 0 H GLY A 109 -4.354 -6.715 9.658 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -4.691 -7.913 11.643 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -6.044 -8.769 10.929 1.00 0.00 H new ATOM 1661 N VAL A 110 -3.742 -9.615 9.111 1.00 0.00 N ATOM 1662 CA VAL A 110 -2.857 -10.670 8.648 1.00 0.00 C ATOM 1663 C VAL A 110 -1.507 -10.089 8.240 1.00 0.00 C ATOM 1664 O VAL A 110 -1.402 -8.887 7.990 1.00 0.00 O ATOM 1665 CB VAL A 110 -3.475 -11.450 7.466 1.00 0.00 C ATOM 1666 CG1 VAL A 110 -4.646 -12.295 7.938 1.00 0.00 C ATOM 1667 CG2 VAL A 110 -3.918 -10.501 6.362 1.00 0.00 C ATOM 0 H VAL A 110 -4.028 -8.957 8.386 1.00 0.00 H new ATOM 0 HA VAL A 110 -2.713 -11.367 9.474 1.00 0.00 H new ATOM 0 HB VAL A 110 -2.709 -12.112 7.061 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -5.068 -12.837 7.092 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -4.302 -13.006 8.689 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -5.409 -11.649 8.372 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -4.350 -11.074 5.541 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -4.664 -9.810 6.754 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -3.058 -9.938 5.999 1.00 0.00 H new ATOM 1677 N PRO A 111 -0.454 -10.925 8.195 1.00 0.00 N ATOM 1678 CA PRO A 111 0.895 -10.486 7.819 1.00 0.00 C ATOM 1679 C PRO A 111 0.961 -9.973 6.384 1.00 0.00 C ATOM 1680 O PRO A 111 1.106 -10.748 5.435 1.00 0.00 O ATOM 1681 CB PRO A 111 1.756 -11.749 7.977 1.00 0.00 C ATOM 1682 CG PRO A 111 0.950 -12.666 8.830 1.00 0.00 C ATOM 1683 CD PRO A 111 -0.486 -12.359 8.523 1.00 0.00 C ATOM 0 HA PRO A 111 1.230 -9.653 8.437 1.00 0.00 H new ATOM 0 HB2 PRO A 111 1.974 -12.201 7.009 1.00 0.00 H new ATOM 0 HB3 PRO A 111 2.714 -11.517 8.443 1.00 0.00 H new ATOM 0 HG2 PRO A 111 1.182 -13.708 8.610 1.00 0.00 H new ATOM 0 HG3 PRO A 111 1.166 -12.507 9.887 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -0.857 -12.956 7.690 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -1.134 -12.564 9.375 1.00 0.00 H new ATOM 1691 N CYS A 112 0.798 -8.669 6.228 1.00 0.00 N ATOM 1692 CA CYS A 112 0.888 -8.033 4.930 1.00 0.00 C ATOM 1693 C CYS A 112 1.729 -6.771 5.028 1.00 0.00 C ATOM 1694 O CYS A 112 1.857 -6.187 6.104 1.00 0.00 O ATOM 1695 CB CYS A 112 -0.509 -7.702 4.404 1.00 0.00 C ATOM 1696 SG CYS A 112 -1.593 -9.140 4.253 1.00 0.00 S ATOM 0 H CYS A 112 0.601 -8.027 6.996 1.00 0.00 H new ATOM 0 HA CYS A 112 1.366 -8.721 4.232 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -0.975 -6.976 5.070 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -0.416 -7.225 3.428 1.00 0.00 H new ATOM 0 HG CYS A 112 -0.909 -10.224 4.473 1.00 0.00 H new ATOM 1702 N ARG A 113 2.309 -6.357 3.914 1.00 0.00 N ATOM 1703 CA ARG A 113 3.101 -5.139 3.888 1.00 0.00 C ATOM 1704 C ARG A 113 2.858 -4.383 2.590 1.00 0.00 C ATOM 1705 O ARG A 113 2.597 -4.988 1.548 1.00 0.00 O ATOM 1706 CB ARG A 113 4.591 -5.455 4.083 1.00 0.00 C ATOM 1707 CG ARG A 113 5.232 -6.270 2.970 1.00 0.00 C ATOM 1708 CD ARG A 113 6.627 -6.739 3.370 1.00 0.00 C ATOM 1709 NE ARG A 113 7.416 -5.667 3.982 1.00 0.00 N ATOM 1710 CZ ARG A 113 8.306 -5.842 4.964 1.00 0.00 C ATOM 1711 NH1 ARG A 113 8.517 -7.051 5.482 1.00 0.00 N ATOM 1712 NH2 ARG A 113 8.975 -4.798 5.435 1.00 0.00 N ATOM 0 H ARG A 113 2.247 -6.844 3.020 1.00 0.00 H new ATOM 0 HA ARG A 113 2.791 -4.500 4.715 1.00 0.00 H new ATOM 0 HB2 ARG A 113 5.135 -4.516 4.183 1.00 0.00 H new ATOM 0 HB3 ARG A 113 4.711 -5.995 5.022 1.00 0.00 H new ATOM 0 HG2 ARG A 113 4.607 -7.132 2.740 1.00 0.00 H new ATOM 0 HG3 ARG A 113 5.293 -5.669 2.063 1.00 0.00 H new ATOM 0 HD2 ARG A 113 6.542 -7.571 4.070 1.00 0.00 H new ATOM 0 HD3 ARG A 113 7.149 -7.115 2.490 1.00 0.00 H new ATOM 0 HE ARG A 113 7.276 -4.719 3.634 1.00 0.00 H new ATOM 0 HH11 ARG A 113 7.997 -7.855 5.130 1.00 0.00 H new ATOM 0 HH12 ARG A 113 9.199 -7.173 6.231 1.00 0.00 H new ATOM 0 HH21 ARG A 113 8.809 -3.869 5.048 1.00 0.00 H new ATOM 0 HH22 ARG A 113 9.656 -4.924 6.184 1.00 0.00 H new ATOM 1726 N ILE A 114 2.912 -3.061 2.670 1.00 0.00 N ATOM 1727 CA ILE A 114 2.642 -2.210 1.521 1.00 0.00 C ATOM 1728 C ILE A 114 3.906 -2.037 0.689 1.00 0.00 C ATOM 1729 O ILE A 114 4.936 -1.583 1.190 1.00 0.00 O ATOM 1730 CB ILE A 114 2.093 -0.832 1.958 1.00 0.00 C ATOM 1731 CG1 ILE A 114 0.871 -1.029 2.867 1.00 0.00 C ATOM 1732 CG2 ILE A 114 1.735 0.016 0.741 1.00 0.00 C ATOM 1733 CD1 ILE A 114 0.202 0.258 3.304 1.00 0.00 C ATOM 0 H ILE A 114 3.142 -2.553 3.524 1.00 0.00 H new ATOM 0 HA ILE A 114 1.879 -2.695 0.913 1.00 0.00 H new ATOM 0 HB ILE A 114 2.865 -0.302 2.516 1.00 0.00 H new ATOM 0 HG12 ILE A 114 0.140 -1.645 2.344 1.00 0.00 H new ATOM 0 HG13 ILE A 114 1.179 -1.584 3.754 1.00 0.00 H new ATOM 0 HG21 ILE A 114 1.351 0.981 1.070 1.00 0.00 H new ATOM 0 HG22 ILE A 114 2.624 0.169 0.130 1.00 0.00 H new ATOM 0 HG23 ILE A 114 0.974 -0.496 0.152 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -0.651 0.026 3.942 1.00 0.00 H new ATOM 0 HD12 ILE A 114 0.915 0.869 3.858 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -0.140 0.806 2.426 1.00 0.00 H new ATOM 1745 N LEU A 115 3.816 -2.404 -0.581 1.00 0.00 N ATOM 1746 CA LEU A 115 4.982 -2.467 -1.446 1.00 0.00 C ATOM 1747 C LEU A 115 4.771 -1.643 -2.717 1.00 0.00 C ATOM 1748 O LEU A 115 3.639 -1.453 -3.174 1.00 0.00 O ATOM 1749 CB LEU A 115 5.271 -3.928 -1.812 1.00 0.00 C ATOM 1750 CG LEU A 115 5.467 -4.878 -0.622 1.00 0.00 C ATOM 1751 CD1 LEU A 115 5.431 -6.325 -1.074 1.00 0.00 C ATOM 1752 CD2 LEU A 115 6.783 -4.595 0.079 1.00 0.00 C ATOM 0 H LEU A 115 2.941 -2.664 -1.036 1.00 0.00 H new ATOM 0 HA LEU A 115 5.833 -2.048 -0.909 1.00 0.00 H new ATOM 0 HB2 LEU A 115 4.449 -4.302 -2.422 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.167 -3.959 -2.432 1.00 0.00 H new ATOM 0 HG LEU A 115 4.648 -4.708 0.077 1.00 0.00 H new ATOM 0 HD11 LEU A 115 5.572 -6.979 -0.213 1.00 0.00 H new ATOM 0 HD12 LEU A 115 4.467 -6.538 -1.537 1.00 0.00 H new ATOM 0 HD13 LEU A 115 6.228 -6.500 -1.797 1.00 0.00 H new ATOM 0 HD21 LEU A 115 6.902 -5.279 0.919 1.00 0.00 H new ATOM 0 HD22 LEU A 115 7.606 -4.734 -0.622 1.00 0.00 H new ATOM 0 HD23 LEU A 115 6.787 -3.568 0.444 1.00 0.00 H new ATOM 1764 N LYS A 116 5.865 -1.155 -3.277 1.00 0.00 N ATOM 1765 CA LYS A 116 5.823 -0.391 -4.513 1.00 0.00 C ATOM 1766 C LYS A 116 6.636 -1.099 -5.596 1.00 0.00 C ATOM 1767 O LYS A 116 7.825 -1.380 -5.410 1.00 0.00 O ATOM 1768 CB LYS A 116 6.366 1.020 -4.266 1.00 0.00 C ATOM 1769 CG LYS A 116 6.245 1.953 -5.460 1.00 0.00 C ATOM 1770 CD LYS A 116 6.746 3.362 -5.145 1.00 0.00 C ATOM 1771 CE LYS A 116 8.257 3.419 -4.926 1.00 0.00 C ATOM 1772 NZ LYS A 116 8.658 2.977 -3.562 1.00 0.00 N ATOM 0 H LYS A 116 6.801 -1.276 -2.891 1.00 0.00 H new ATOM 0 HA LYS A 116 4.791 -0.315 -4.854 1.00 0.00 H new ATOM 0 HB2 LYS A 116 5.835 1.459 -3.421 1.00 0.00 H new ATOM 0 HB3 LYS A 116 7.415 0.948 -3.980 1.00 0.00 H new ATOM 0 HG2 LYS A 116 6.813 1.546 -6.296 1.00 0.00 H new ATOM 0 HG3 LYS A 116 5.203 2.002 -5.776 1.00 0.00 H new ATOM 0 HD2 LYS A 116 6.477 4.030 -5.964 1.00 0.00 H new ATOM 0 HD3 LYS A 116 6.240 3.731 -4.253 1.00 0.00 H new ATOM 0 HE2 LYS A 116 8.751 2.790 -5.667 1.00 0.00 H new ATOM 0 HE3 LYS A 116 8.605 4.439 -5.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 9.672 3.162 -3.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 8.108 3.501 -2.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 8.475 1.958 -3.459 1.00 0.00 H new ATOM 1786 N VAL A 117 5.989 -1.399 -6.717 1.00 0.00 N ATOM 1787 CA VAL A 117 6.637 -2.102 -7.823 1.00 0.00 C ATOM 1788 C VAL A 117 7.723 -1.233 -8.455 1.00 0.00 C ATOM 1789 O VAL A 117 7.527 -0.031 -8.651 1.00 0.00 O ATOM 1790 CB VAL A 117 5.611 -2.503 -8.908 1.00 0.00 C ATOM 1791 CG1 VAL A 117 6.276 -3.296 -10.027 1.00 0.00 C ATOM 1792 CG2 VAL A 117 4.471 -3.300 -8.294 1.00 0.00 C ATOM 0 H VAL A 117 5.011 -1.165 -6.886 1.00 0.00 H new ATOM 0 HA VAL A 117 7.089 -3.005 -7.413 1.00 0.00 H new ATOM 0 HB VAL A 117 5.203 -1.589 -9.340 1.00 0.00 H new ATOM 0 HG11 VAL A 117 5.530 -3.564 -10.775 1.00 0.00 H new ATOM 0 HG12 VAL A 117 7.054 -2.689 -10.491 1.00 0.00 H new ATOM 0 HG13 VAL A 117 6.720 -4.203 -9.616 1.00 0.00 H new ATOM 0 HG21 VAL A 117 3.758 -3.574 -9.072 1.00 0.00 H new ATOM 0 HG22 VAL A 117 4.867 -4.203 -7.830 1.00 0.00 H new ATOM 0 HG23 VAL A 117 3.969 -2.695 -7.539 1.00 0.00 H new ATOM 1802 N HIS A 118 8.866 -1.838 -8.764 1.00 0.00 N ATOM 1803 CA HIS A 118 9.967 -1.102 -9.365 1.00 0.00 C ATOM 1804 C HIS A 118 9.696 -0.841 -10.846 1.00 0.00 C ATOM 1805 O HIS A 118 9.284 -1.741 -11.580 1.00 0.00 O ATOM 1806 CB HIS A 118 11.295 -1.843 -9.188 1.00 0.00 C ATOM 1807 CG HIS A 118 12.344 -0.993 -8.545 1.00 0.00 C ATOM 1808 ND1 HIS A 118 13.264 -0.251 -9.251 1.00 0.00 N ATOM 1809 CD2 HIS A 118 12.576 -0.728 -7.243 1.00 0.00 C ATOM 1810 CE1 HIS A 118 14.008 0.437 -8.408 1.00 0.00 C ATOM 1811 NE2 HIS A 118 13.614 0.166 -7.181 1.00 0.00 N ATOM 0 H HIS A 118 9.051 -2.829 -8.609 1.00 0.00 H new ATOM 0 HA HIS A 118 10.045 -0.144 -8.850 1.00 0.00 H new ATOM 0 HB2 HIS A 118 11.132 -2.734 -8.582 1.00 0.00 H new ATOM 0 HB3 HIS A 118 11.652 -2.180 -10.161 1.00 0.00 H new ATOM 0 HD1 HIS A 118 13.356 -0.236 -10.267 1.00 0.00 H new ATOM 0 HD2 HIS A 118 12.041 -1.144 -6.402 1.00 0.00 H new ATOM 0 HE1 HIS A 118 14.808 1.111 -8.679 1.00 0.00 H new ATOM 1820 N PRO A 119 9.934 0.399 -11.301 1.00 0.00 N ATOM 1821 CA PRO A 119 9.637 0.822 -12.672 1.00 0.00 C ATOM 1822 C PRO A 119 10.625 0.274 -13.699 1.00 0.00 C ATOM 1823 O PRO A 119 10.419 0.424 -14.901 1.00 0.00 O ATOM 1824 CB PRO A 119 9.735 2.356 -12.620 1.00 0.00 C ATOM 1825 CG PRO A 119 9.969 2.718 -11.187 1.00 0.00 C ATOM 1826 CD PRO A 119 10.510 1.496 -10.515 1.00 0.00 C ATOM 0 HA PRO A 119 8.663 0.449 -12.989 1.00 0.00 H new ATOM 0 HB2 PRO A 119 10.550 2.714 -13.249 1.00 0.00 H new ATOM 0 HB3 PRO A 119 8.820 2.816 -12.992 1.00 0.00 H new ATOM 0 HG2 PRO A 119 10.673 3.546 -11.108 1.00 0.00 H new ATOM 0 HG3 PRO A 119 9.042 3.041 -10.714 1.00 0.00 H new ATOM 0 HD2 PRO A 119 11.600 1.475 -10.533 1.00 0.00 H new ATOM 0 HD3 PRO A 119 10.207 1.444 -9.469 1.00 0.00 H new ATOM 1834 N ASP A 120 11.694 -0.357 -13.223 1.00 0.00 N ATOM 1835 CA ASP A 120 12.733 -0.886 -14.106 1.00 0.00 C ATOM 1836 C ASP A 120 12.188 -1.998 -14.986 1.00 0.00 C ATOM 1837 O ASP A 120 12.332 -1.963 -16.207 1.00 0.00 O ATOM 1838 CB ASP A 120 13.926 -1.399 -13.297 1.00 0.00 C ATOM 1839 CG ASP A 120 14.708 -0.281 -12.643 1.00 0.00 C ATOM 1840 OD1 ASP A 120 14.207 0.293 -11.653 1.00 0.00 O ATOM 1841 OD2 ASP A 120 15.813 0.045 -13.126 1.00 0.00 O ATOM 0 H ASP A 120 11.865 -0.516 -12.230 1.00 0.00 H new ATOM 0 HA ASP A 120 13.068 -0.070 -14.746 1.00 0.00 H new ATOM 0 HB2 ASP A 120 13.571 -2.087 -12.529 1.00 0.00 H new ATOM 0 HB3 ASP A 120 14.588 -1.966 -13.952 1.00 0.00 H new ATOM 1846 N MET A 121 11.562 -2.985 -14.367 1.00 0.00 N ATOM 1847 CA MET A 121 10.964 -4.081 -15.119 1.00 0.00 C ATOM 1848 C MET A 121 9.502 -3.788 -15.441 1.00 0.00 C ATOM 1849 O MET A 121 9.067 -3.970 -16.581 1.00 0.00 O ATOM 1850 CB MET A 121 11.129 -5.426 -14.382 1.00 0.00 C ATOM 1851 CG MET A 121 10.951 -5.365 -12.869 1.00 0.00 C ATOM 1852 SD MET A 121 9.228 -5.289 -12.351 1.00 0.00 S ATOM 1853 CE MET A 121 9.419 -5.229 -10.574 1.00 0.00 C ATOM 0 H MET A 121 11.454 -3.052 -13.355 1.00 0.00 H new ATOM 0 HA MET A 121 11.498 -4.168 -16.065 1.00 0.00 H new ATOM 0 HB2 MET A 121 10.408 -6.135 -14.788 1.00 0.00 H new ATOM 0 HB3 MET A 121 12.121 -5.821 -14.599 1.00 0.00 H new ATOM 0 HG2 MET A 121 11.419 -6.241 -12.420 1.00 0.00 H new ATOM 0 HG3 MET A 121 11.477 -4.491 -12.484 1.00 0.00 H new ATOM 0 HE1 MET A 121 8.476 -5.498 -10.097 1.00 0.00 H new ATOM 0 HE2 MET A 121 10.194 -5.931 -10.267 1.00 0.00 H new ATOM 0 HE3 MET A 121 9.703 -4.221 -10.272 1.00 0.00 H new ATOM 1863 N ALA A 122 8.765 -3.310 -14.440 1.00 0.00 N ATOM 1864 CA ALA A 122 7.358 -2.942 -14.590 1.00 0.00 C ATOM 1865 C ALA A 122 6.499 -4.122 -15.056 1.00 0.00 C ATOM 1866 O ALA A 122 6.974 -5.255 -15.146 1.00 0.00 O ATOM 1867 CB ALA A 122 7.216 -1.764 -15.548 1.00 0.00 C ATOM 0 H ALA A 122 9.128 -3.166 -13.498 1.00 0.00 H new ATOM 0 HA ALA A 122 6.992 -2.646 -13.607 1.00 0.00 H new ATOM 0 HB1 ALA A 122 6.163 -1.502 -15.649 1.00 0.00 H new ATOM 0 HB2 ALA A 122 7.767 -0.909 -15.157 1.00 0.00 H new ATOM 0 HB3 ALA A 122 7.617 -2.038 -16.524 1.00 0.00 H new ATOM 1873 N GLU A 123 5.227 -3.831 -15.327 1.00 0.00 N ATOM 1874 CA GLU A 123 4.261 -4.818 -15.811 1.00 0.00 C ATOM 1875 C GLU A 123 4.241 -6.090 -14.975 1.00 0.00 C ATOM 1876 O GLU A 123 4.879 -7.095 -15.296 1.00 0.00 O ATOM 1877 CB GLU A 123 4.496 -5.157 -17.270 1.00 0.00 C ATOM 1878 CG GLU A 123 4.186 -4.004 -18.206 1.00 0.00 C ATOM 1879 CD GLU A 123 4.426 -4.355 -19.656 1.00 0.00 C ATOM 1880 OE1 GLU A 123 3.664 -5.180 -20.209 1.00 0.00 O ATOM 1881 OE2 GLU A 123 5.366 -3.796 -20.255 1.00 0.00 O ATOM 0 H GLU A 123 4.834 -2.896 -15.216 1.00 0.00 H new ATOM 0 HA GLU A 123 3.282 -4.349 -15.710 1.00 0.00 H new ATOM 0 HB2 GLU A 123 5.535 -5.457 -17.404 1.00 0.00 H new ATOM 0 HB3 GLU A 123 3.879 -6.014 -17.542 1.00 0.00 H new ATOM 0 HG2 GLU A 123 3.146 -3.704 -18.076 1.00 0.00 H new ATOM 0 HG3 GLU A 123 4.802 -3.146 -17.937 1.00 0.00 H new ATOM 1888 N VAL A 124 3.489 -6.023 -13.905 1.00 0.00 N ATOM 1889 CA VAL A 124 3.280 -7.156 -13.023 1.00 0.00 C ATOM 1890 C VAL A 124 1.789 -7.270 -12.755 1.00 0.00 C ATOM 1891 O VAL A 124 1.137 -6.271 -12.456 1.00 0.00 O ATOM 1892 CB VAL A 124 4.035 -7.008 -11.681 1.00 0.00 C ATOM 1893 CG1 VAL A 124 3.931 -8.288 -10.864 1.00 0.00 C ATOM 1894 CG2 VAL A 124 5.493 -6.640 -11.908 1.00 0.00 C ATOM 0 H VAL A 124 2.999 -5.177 -13.615 1.00 0.00 H new ATOM 0 HA VAL A 124 3.670 -8.050 -13.510 1.00 0.00 H new ATOM 0 HB VAL A 124 3.566 -6.198 -11.122 1.00 0.00 H new ATOM 0 HG11 VAL A 124 4.468 -8.164 -9.924 1.00 0.00 H new ATOM 0 HG12 VAL A 124 2.883 -8.504 -10.657 1.00 0.00 H new ATOM 0 HG13 VAL A 124 4.367 -9.114 -11.425 1.00 0.00 H new ATOM 0 HG21 VAL A 124 5.998 -6.543 -10.947 1.00 0.00 H new ATOM 0 HG22 VAL A 124 5.978 -7.420 -12.495 1.00 0.00 H new ATOM 0 HG23 VAL A 124 5.550 -5.693 -12.445 1.00 0.00 H new ATOM 1904 N ARG A 125 1.243 -8.467 -12.889 1.00 0.00 N ATOM 1905 CA ARG A 125 -0.193 -8.653 -12.760 1.00 0.00 C ATOM 1906 C ARG A 125 -0.508 -9.811 -11.825 1.00 0.00 C ATOM 1907 O ARG A 125 0.110 -10.873 -11.915 1.00 0.00 O ATOM 1908 CB ARG A 125 -0.827 -8.891 -14.135 1.00 0.00 C ATOM 1909 CG ARG A 125 -0.530 -7.784 -15.134 1.00 0.00 C ATOM 1910 CD ARG A 125 -1.184 -8.041 -16.482 1.00 0.00 C ATOM 1911 NE ARG A 125 -2.644 -7.991 -16.413 1.00 0.00 N ATOM 1912 CZ ARG A 125 -3.430 -7.735 -17.460 1.00 0.00 C ATOM 1913 NH1 ARG A 125 -2.898 -7.525 -18.658 1.00 0.00 N ATOM 1914 NH2 ARG A 125 -4.746 -7.693 -17.300 1.00 0.00 N ATOM 0 H ARG A 125 1.768 -9.319 -13.086 1.00 0.00 H new ATOM 0 HA ARG A 125 -0.616 -7.744 -12.332 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -0.466 -9.838 -14.535 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -1.907 -8.985 -14.018 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -0.883 -6.833 -14.736 1.00 0.00 H new ATOM 0 HG3 ARG A 125 0.548 -7.695 -15.266 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -0.832 -7.301 -17.201 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -0.874 -9.018 -16.853 1.00 0.00 H new ATOM 0 HE ARG A 125 -3.088 -8.162 -15.511 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -1.886 -7.559 -18.780 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -3.501 -7.329 -19.457 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -5.153 -7.856 -16.379 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -5.351 -7.498 -18.098 1.00 0.00 H new ATOM 1928 N TRP A 126 -1.444 -9.564 -10.908 1.00 0.00 N ATOM 1929 CA TRP A 126 -1.950 -10.577 -9.981 1.00 0.00 C ATOM 1930 C TRP A 126 -2.244 -11.891 -10.718 1.00 0.00 C ATOM 1931 O TRP A 126 -2.744 -11.872 -11.848 1.00 0.00 O ATOM 1932 CB TRP A 126 -3.224 -10.048 -9.293 1.00 0.00 C ATOM 1933 CG TRP A 126 -3.516 -10.715 -7.983 1.00 0.00 C ATOM 1934 CD1 TRP A 126 -3.003 -10.372 -6.770 1.00 0.00 C ATOM 1935 CD2 TRP A 126 -4.376 -11.838 -7.750 1.00 0.00 C ATOM 1936 NE1 TRP A 126 -3.465 -11.225 -5.800 1.00 0.00 N ATOM 1937 CE2 TRP A 126 -4.314 -12.132 -6.376 1.00 0.00 C ATOM 1938 CE3 TRP A 126 -5.183 -12.625 -8.570 1.00 0.00 C ATOM 1939 CZ2 TRP A 126 -5.029 -13.182 -5.806 1.00 0.00 C ATOM 1940 CZ3 TRP A 126 -5.892 -13.667 -8.005 1.00 0.00 C ATOM 1941 CH2 TRP A 126 -5.810 -13.938 -6.635 1.00 0.00 C ATOM 0 H TRP A 126 -1.876 -8.648 -10.787 1.00 0.00 H new ATOM 0 HA TRP A 126 -1.190 -10.780 -9.227 1.00 0.00 H new ATOM 0 HB2 TRP A 126 -3.121 -8.975 -9.131 1.00 0.00 H new ATOM 0 HB3 TRP A 126 -4.074 -10.189 -9.961 1.00 0.00 H new ATOM 0 HD1 TRP A 126 -2.329 -9.546 -6.596 1.00 0.00 H new ATOM 0 HE1 TRP A 126 -3.217 -11.189 -4.811 1.00 0.00 H new ATOM 0 HE3 TRP A 126 -5.253 -12.423 -9.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 126 -4.969 -13.391 -4.748 1.00 0.00 H new ATOM 0 HZ3 TRP A 126 -6.520 -14.283 -8.631 1.00 0.00 H new ATOM 0 HH2 TRP A 126 -6.375 -14.761 -6.224 1.00 0.00 H new ATOM 1952 N PRO A 127 -1.930 -13.046 -10.088 1.00 0.00 N ATOM 1953 CA PRO A 127 -2.095 -14.375 -10.695 1.00 0.00 C ATOM 1954 C PRO A 127 -3.464 -14.561 -11.346 1.00 0.00 C ATOM 1955 O PRO A 127 -4.487 -14.581 -10.671 1.00 0.00 O ATOM 1956 CB PRO A 127 -1.941 -15.339 -9.508 1.00 0.00 C ATOM 1957 CG PRO A 127 -2.005 -14.474 -8.294 1.00 0.00 C ATOM 1958 CD PRO A 127 -1.415 -13.167 -8.719 1.00 0.00 C ATOM 0 HA PRO A 127 -1.374 -14.538 -11.496 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -2.734 -16.086 -9.502 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -0.995 -15.878 -9.558 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -3.032 -14.350 -7.951 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -1.443 -14.911 -7.468 1.00 0.00 H new ATOM 0 HD2 PRO A 127 -1.741 -12.344 -8.084 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -0.325 -13.180 -8.690 1.00 0.00 H new