USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 835 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 CYS SG : rot -89:sc= -1.04! USER MOD Set 1.2: A 120 GLN : amide:sc= -1.4! C(o=-2.4!,f=-3.5!) USER MOD Set 2.1: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 36 THR OG1 : rot -150:sc= 0 USER MOD Set 2.3: A 49 GLN : amide:sc= -2.85 X(o=-4.2,f=-4.4!) USER MOD Set 2.4: A 56 HIS : no HE2:sc= -1.38 K(o=-4.2,f=-5.6!) USER MOD Single : A 15 GLN : amide:sc= -1.84 K(o=-1.8,f=-0.031) USER MOD Single : A 23 MET CE :methyl 164:sc= -0.183 (180deg=-0.731) USER MOD Single : A 25 MET CE :methyl -162:sc= -0.0165 (180deg=-0.352) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 CYS SG : rot 130:sc= -1.14 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0.45) USER MOD Single : A 41 ASN : amide:sc= -1.82 K(o=-1.8,f=-0.61) USER MOD Single : A 43 GLN : amide:sc= -0.0296 K(o=-0.03,f=-1.9!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HE2:sc= -0.831 K(o=-0.83,f=-4.6!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN : amide:sc= -0.485 K(o=-0.49,f=-5.9!) USER MOD Single : A 64 ASN : amide:sc= -0.413 K(o=-0.41,f=-12!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 GLN : amide:sc= -8.05! C(o=-8!,f=-14!) USER MOD Single : A 83 SER OG : rot -69:sc= 0.751 USER MOD Single : A 84 ASN : amide:sc= -6.16! C(o=-6.2!,f=-5.7!) USER MOD Single : A 85 SER OG : rot 180:sc= -0.0163 USER MOD Single : A 88 LYS NZ :NH3+ -110:sc= 0.967 (180deg=-0.358) USER MOD Single : A 92 GLN : amide:sc= -3.54! C(o=-3.5!,f=-8.9!) USER MOD Single : A 108 HIS : no HD1:sc= -0.765 K(o=-0.77,f=-0.15) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot -23:sc= -0.283 USER MOD Single : A 121 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0771) USER MOD Single : A 123 GLN : amide:sc= -1.57! C(o=-1.6!,f=-3.7!) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 107 N PRO A 9 -1.894 1.069 15.312 1.00 1.00 N ATOM 108 CA PRO A 9 -0.619 1.547 14.685 1.00 1.00 C ATOM 109 C PRO A 9 -0.873 2.564 13.567 1.00 1.00 C ATOM 110 O PRO A 9 -0.075 3.473 13.347 1.00 1.00 O ATOM 111 CB PRO A 9 0.023 0.257 14.137 1.00 1.00 C ATOM 112 CG PRO A 9 -1.108 -0.715 13.997 1.00 1.00 C ATOM 113 CD PRO A 9 -2.088 -0.376 15.116 1.00 1.00 C ATOM 0 HA PRO A 9 0.020 2.071 15.395 1.00 1.00 H new ATOM 0 HB2 PRO A 9 0.510 0.436 13.178 1.00 1.00 H new ATOM 0 HB3 PRO A 9 0.787 -0.122 14.816 1.00 1.00 H new ATOM 0 HG2 PRO A 9 -1.583 -0.624 13.020 1.00 1.00 H new ATOM 0 HG3 PRO A 9 -0.754 -1.742 14.085 1.00 1.00 H new ATOM 0 HD2 PRO A 9 -3.115 -0.609 14.835 1.00 1.00 H new ATOM 0 HD3 PRO A 9 -1.871 -0.938 16.025 1.00 1.00 H new ATOM 121 N LEU A 10 -1.992 2.397 12.872 1.00 1.00 N ATOM 122 CA LEU A 10 -2.354 3.299 11.783 1.00 1.00 C ATOM 123 C LEU A 10 -2.759 4.663 12.350 1.00 1.00 C ATOM 124 O LEU A 10 -3.270 4.740 13.466 1.00 1.00 O ATOM 125 CB LEU A 10 -3.526 2.702 10.991 1.00 1.00 C ATOM 126 CG LEU A 10 -3.069 1.431 10.247 1.00 1.00 C ATOM 127 CD1 LEU A 10 -4.283 0.554 9.937 1.00 1.00 C ATOM 128 CD2 LEU A 10 -2.375 1.800 8.929 1.00 1.00 C ATOM 0 H LEU A 10 -2.663 1.648 13.042 1.00 1.00 H new ATOM 0 HA LEU A 10 -1.496 3.427 11.123 1.00 1.00 H new ATOM 0 HB2 LEU A 10 -4.347 2.462 11.667 1.00 1.00 H new ATOM 0 HB3 LEU A 10 -3.904 3.434 10.278 1.00 1.00 H new ATOM 0 HG LEU A 10 -2.368 0.891 10.883 1.00 1.00 H new ATOM 0 HD11 LEU A 10 -3.958 -0.344 9.411 1.00 1.00 H new ATOM 0 HD12 LEU A 10 -4.775 0.272 10.868 1.00 1.00 H new ATOM 0 HD13 LEU A 10 -4.982 1.108 9.311 1.00 1.00 H new ATOM 0 HD21 LEU A 10 -2.059 0.891 8.417 1.00 1.00 H new ATOM 0 HD22 LEU A 10 -3.069 2.351 8.294 1.00 1.00 H new ATOM 0 HD23 LEU A 10 -1.503 2.420 9.138 1.00 1.00 H new ATOM 140 N PRO A 11 -2.546 5.736 11.621 1.00 1.00 N ATOM 141 CA PRO A 11 -2.907 7.102 12.103 1.00 1.00 C ATOM 142 C PRO A 11 -4.421 7.268 12.231 1.00 1.00 C ATOM 143 O PRO A 11 -5.186 6.754 11.415 1.00 1.00 O ATOM 144 CB PRO A 11 -2.308 8.037 11.039 1.00 1.00 C ATOM 145 CG PRO A 11 -2.222 7.206 9.803 1.00 1.00 C ATOM 146 CD PRO A 11 -1.950 5.775 10.273 1.00 1.00 C ATOM 0 HA PRO A 11 -2.522 7.315 13.100 1.00 1.00 H new ATOM 0 HB2 PRO A 11 -2.938 8.913 10.883 1.00 1.00 H new ATOM 0 HB3 PRO A 11 -1.325 8.400 11.340 1.00 1.00 H new ATOM 0 HG2 PRO A 11 -3.149 7.259 9.232 1.00 1.00 H new ATOM 0 HG3 PRO A 11 -1.424 7.560 9.150 1.00 1.00 H new ATOM 0 HD2 PRO A 11 -2.408 5.041 9.610 1.00 1.00 H new ATOM 0 HD3 PRO A 11 -0.882 5.558 10.300 1.00 1.00 H new ATOM 154 N VAL A 12 -4.836 7.979 13.269 1.00 1.00 N ATOM 155 CA VAL A 12 -6.255 8.207 13.518 1.00 1.00 C ATOM 156 C VAL A 12 -6.839 9.207 12.526 1.00 1.00 C ATOM 157 O VAL A 12 -8.012 9.124 12.163 1.00 1.00 O ATOM 158 CB VAL A 12 -6.453 8.725 14.943 1.00 1.00 C ATOM 159 CG1 VAL A 12 -5.927 7.691 15.940 1.00 1.00 C ATOM 160 CG2 VAL A 12 -5.681 10.034 15.117 1.00 1.00 C ATOM 0 H VAL A 12 -4.213 8.408 13.953 1.00 1.00 H new ATOM 0 HA VAL A 12 -6.776 7.258 13.393 1.00 1.00 H new ATOM 0 HB VAL A 12 -7.514 8.897 15.123 1.00 1.00 H new ATOM 0 HG11 VAL A 12 -6.068 8.060 16.956 1.00 1.00 H new ATOM 0 HG12 VAL A 12 -6.472 6.755 15.815 1.00 1.00 H new ATOM 0 HG13 VAL A 12 -4.866 7.520 15.761 1.00 1.00 H new ATOM 0 HG21 VAL A 12 -5.820 10.406 16.132 1.00 1.00 H new ATOM 0 HG22 VAL A 12 -4.620 9.858 14.937 1.00 1.00 H new ATOM 0 HG23 VAL A 12 -6.052 10.772 14.406 1.00 1.00 H new ATOM 170 N GLY A 13 -6.016 10.157 12.102 1.00 1.00 N ATOM 171 CA GLY A 13 -6.467 11.176 11.162 1.00 1.00 C ATOM 172 C GLY A 13 -6.940 10.548 9.856 1.00 1.00 C ATOM 173 O GLY A 13 -7.897 11.020 9.243 1.00 1.00 O ATOM 0 H GLY A 13 -5.041 10.244 12.390 1.00 1.00 H new ATOM 0 HA2 GLY A 13 -7.279 11.752 11.607 1.00 1.00 H new ATOM 0 HA3 GLY A 13 -5.654 11.874 10.960 1.00 1.00 H new ATOM 177 N ALA A 14 -6.268 9.485 9.435 1.00 1.00 N ATOM 178 CA ALA A 14 -6.632 8.806 8.194 1.00 1.00 C ATOM 179 C ALA A 14 -7.815 7.866 8.412 1.00 1.00 C ATOM 180 O ALA A 14 -8.163 7.545 9.549 1.00 1.00 O ATOM 181 CB ALA A 14 -5.431 8.013 7.664 1.00 1.00 C ATOM 0 H ALA A 14 -5.474 9.075 9.928 1.00 1.00 H new ATOM 0 HA ALA A 14 -6.923 9.561 7.463 1.00 1.00 H new ATOM 0 HB1 ALA A 14 -5.708 7.509 6.738 1.00 1.00 H new ATOM 0 HB2 ALA A 14 -4.602 8.694 7.472 1.00 1.00 H new ATOM 0 HB3 ALA A 14 -5.129 7.272 8.404 1.00 1.00 H new ATOM 187 N GLN A 15 -8.418 7.419 7.309 1.00 1.00 N ATOM 188 CA GLN A 15 -9.562 6.497 7.359 1.00 1.00 C ATOM 189 C GLN A 15 -9.207 5.200 6.634 1.00 1.00 C ATOM 190 O GLN A 15 -9.575 5.017 5.477 1.00 1.00 O ATOM 191 CB GLN A 15 -10.772 7.133 6.659 1.00 1.00 C ATOM 192 CG GLN A 15 -11.098 8.502 7.283 1.00 1.00 C ATOM 193 CD GLN A 15 -12.011 8.333 8.494 1.00 1.00 C ATOM 194 OE1 GLN A 15 -12.589 9.307 8.976 1.00 1.00 O ATOM 195 NE2 GLN A 15 -12.177 7.147 9.015 1.00 1.00 N ATOM 0 H GLN A 15 -8.134 7.680 6.365 1.00 1.00 H new ATOM 0 HA GLN A 15 -9.803 6.289 8.402 1.00 1.00 H new ATOM 0 HB2 GLN A 15 -10.563 7.252 5.596 1.00 1.00 H new ATOM 0 HB3 GLN A 15 -11.636 6.474 6.743 1.00 1.00 H new ATOM 0 HG2 GLN A 15 -10.176 9.001 7.582 1.00 1.00 H new ATOM 0 HG3 GLN A 15 -11.580 9.140 6.543 1.00 1.00 H new ATOM 0 HE21 GLN A 15 -11.697 6.342 8.613 1.00 1.00 H new ATOM 0 HE22 GLN A 15 -12.787 7.026 9.824 1.00 1.00 H new ATOM 204 N PRO A 16 -8.500 4.310 7.278 1.00 1.00 N ATOM 205 CA PRO A 16 -8.077 3.013 6.661 1.00 1.00 C ATOM 206 C PRO A 16 -9.239 2.253 6.029 1.00 1.00 C ATOM 207 O PRO A 16 -9.968 1.528 6.707 1.00 1.00 O ATOM 208 CB PRO A 16 -7.468 2.238 7.837 1.00 1.00 C ATOM 209 CG PRO A 16 -7.001 3.296 8.777 1.00 1.00 C ATOM 210 CD PRO A 16 -8.019 4.429 8.662 1.00 1.00 C ATOM 0 HA PRO A 16 -7.379 3.161 5.837 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -8.204 1.586 8.307 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -6.643 1.604 7.511 1.00 1.00 H new ATOM 0 HG2 PRO A 16 -6.950 2.918 9.798 1.00 1.00 H new ATOM 0 HG3 PRO A 16 -6.001 3.640 8.514 1.00 1.00 H new ATOM 0 HD2 PRO A 16 -8.830 4.316 9.381 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -7.562 5.401 8.847 1.00 1.00 H new ATOM 218 N LEU A 17 -9.388 2.421 4.720 1.00 1.00 N ATOM 219 CA LEU A 17 -10.446 1.743 3.986 1.00 1.00 C ATOM 220 C LEU A 17 -10.211 0.245 4.011 1.00 1.00 C ATOM 221 O LEU A 17 -11.141 -0.544 4.168 1.00 1.00 O ATOM 222 CB LEU A 17 -10.454 2.207 2.527 1.00 1.00 C ATOM 223 CG LEU A 17 -10.736 3.710 2.449 1.00 1.00 C ATOM 224 CD1 LEU A 17 -10.702 4.155 0.979 1.00 1.00 C ATOM 225 CD2 LEU A 17 -12.112 4.032 3.059 1.00 1.00 C ATOM 0 H LEU A 17 -8.791 3.019 4.148 1.00 1.00 H new ATOM 0 HA LEU A 17 -11.400 1.981 4.456 1.00 1.00 H new ATOM 0 HB2 LEU A 17 -9.493 1.986 2.063 1.00 1.00 H new ATOM 0 HB3 LEU A 17 -11.212 1.658 1.968 1.00 1.00 H new ATOM 0 HG LEU A 17 -9.973 4.245 3.014 1.00 1.00 H new ATOM 0 HD11 LEU A 17 -10.902 5.225 0.918 1.00 1.00 H new ATOM 0 HD12 LEU A 17 -9.719 3.945 0.558 1.00 1.00 H new ATOM 0 HD13 LEU A 17 -11.461 3.611 0.417 1.00 1.00 H new ATOM 0 HD21 LEU A 17 -12.296 5.104 2.995 1.00 1.00 H new ATOM 0 HD22 LEU A 17 -12.887 3.497 2.510 1.00 1.00 H new ATOM 0 HD23 LEU A 17 -12.128 3.723 4.104 1.00 1.00 H new ATOM 237 N ALA A 18 -8.951 -0.133 3.841 1.00 1.00 N ATOM 238 CA ALA A 18 -8.570 -1.544 3.825 1.00 1.00 C ATOM 239 C ALA A 18 -7.151 -1.715 4.346 1.00 1.00 C ATOM 240 O ALA A 18 -6.299 -0.852 4.139 1.00 1.00 O ATOM 241 CB ALA A 18 -8.661 -2.083 2.393 1.00 1.00 C ATOM 0 H ALA A 18 -8.174 0.515 3.712 1.00 1.00 H new ATOM 0 HA ALA A 18 -9.250 -2.101 4.470 1.00 1.00 H new ATOM 0 HB1 ALA A 18 -8.377 -3.135 2.382 1.00 1.00 H new ATOM 0 HB2 ALA A 18 -9.683 -1.979 2.029 1.00 1.00 H new ATOM 0 HB3 ALA A 18 -7.988 -1.518 1.748 1.00 1.00 H new ATOM 247 N THR A 19 -6.897 -2.836 5.022 1.00 1.00 N ATOM 248 CA THR A 19 -5.567 -3.117 5.573 1.00 1.00 C ATOM 249 C THR A 19 -5.154 -4.549 5.267 1.00 1.00 C ATOM 250 O THR A 19 -5.924 -5.486 5.478 1.00 1.00 O ATOM 251 CB THR A 19 -5.566 -2.889 7.086 1.00 1.00 C ATOM 252 OG1 THR A 19 -4.373 -3.424 7.642 1.00 1.00 O ATOM 253 CG2 THR A 19 -6.779 -3.575 7.714 1.00 1.00 C ATOM 0 H THR A 19 -7.590 -3.562 5.202 1.00 1.00 H new ATOM 0 HA THR A 19 -4.851 -2.439 5.108 1.00 1.00 H new ATOM 0 HB THR A 19 -5.616 -1.820 7.291 1.00 1.00 H new ATOM 0 HG1 THR A 19 -4.369 -3.278 8.611 1.00 1.00 H new ATOM 0 HG21 THR A 19 -6.773 -3.409 8.791 1.00 1.00 H new ATOM 0 HG22 THR A 19 -7.693 -3.160 7.288 1.00 1.00 H new ATOM 0 HG23 THR A 19 -6.737 -4.645 7.511 1.00 1.00 H new ATOM 261 N VAL A 20 -3.933 -4.712 4.750 1.00 1.00 N ATOM 262 CA VAL A 20 -3.428 -6.037 4.399 1.00 1.00 C ATOM 263 C VAL A 20 -1.973 -6.205 4.817 1.00 1.00 C ATOM 264 O VAL A 20 -1.256 -5.227 5.023 1.00 1.00 O ATOM 265 CB VAL A 20 -3.550 -6.239 2.885 1.00 1.00 C ATOM 266 CG1 VAL A 20 -5.030 -6.272 2.495 1.00 1.00 C ATOM 267 CG2 VAL A 20 -2.847 -5.081 2.148 1.00 1.00 C ATOM 0 H VAL A 20 -3.282 -3.948 4.567 1.00 1.00 H new ATOM 0 HA VAL A 20 -4.022 -6.782 4.929 1.00 1.00 H new ATOM 0 HB VAL A 20 -3.078 -7.181 2.606 1.00 1.00 H new ATOM 0 HG11 VAL A 20 -5.119 -6.416 1.418 1.00 1.00 H new ATOM 0 HG12 VAL A 20 -5.525 -7.094 3.013 1.00 1.00 H new ATOM 0 HG13 VAL A 20 -5.501 -5.330 2.776 1.00 1.00 H new ATOM 0 HG21 VAL A 20 -2.936 -5.228 1.072 1.00 1.00 H new ATOM 0 HG22 VAL A 20 -3.315 -4.136 2.425 1.00 1.00 H new ATOM 0 HG23 VAL A 20 -1.793 -5.059 2.426 1.00 1.00 H new ATOM 277 N GLU A 21 -1.540 -7.458 4.913 1.00 1.00 N ATOM 278 CA GLU A 21 -0.160 -7.767 5.277 1.00 1.00 C ATOM 279 C GLU A 21 0.635 -8.098 4.027 1.00 1.00 C ATOM 280 O GLU A 21 0.075 -8.528 3.018 1.00 1.00 O ATOM 281 CB GLU A 21 -0.118 -8.958 6.232 1.00 1.00 C ATOM 282 CG GLU A 21 -0.752 -8.571 7.568 1.00 1.00 C ATOM 283 CD GLU A 21 0.093 -7.508 8.265 1.00 1.00 C ATOM 284 OE1 GLU A 21 1.264 -7.404 7.939 1.00 1.00 O ATOM 285 OE2 GLU A 21 -0.445 -6.814 9.110 1.00 1.00 O ATOM 0 H GLU A 21 -2.124 -8.277 4.744 1.00 1.00 H new ATOM 0 HA GLU A 21 0.275 -6.898 5.771 1.00 1.00 H new ATOM 0 HB2 GLU A 21 -0.651 -9.804 5.797 1.00 1.00 H new ATOM 0 HB3 GLU A 21 0.913 -9.276 6.387 1.00 1.00 H new ATOM 0 HG2 GLU A 21 -1.761 -8.194 7.404 1.00 1.00 H new ATOM 0 HG3 GLU A 21 -0.840 -9.451 8.205 1.00 1.00 H new ATOM 292 N GLY A 22 1.941 -7.895 4.095 1.00 1.00 N ATOM 293 CA GLY A 22 2.803 -8.175 2.958 1.00 1.00 C ATOM 294 C GLY A 22 4.271 -8.100 3.356 1.00 1.00 C ATOM 295 O GLY A 22 4.601 -8.022 4.539 1.00 1.00 O ATOM 0 H GLY A 22 2.425 -7.540 4.920 1.00 1.00 H new ATOM 0 HA2 GLY A 22 2.580 -9.166 2.563 1.00 1.00 H new ATOM 0 HA3 GLY A 22 2.602 -7.461 2.160 1.00 1.00 H new ATOM 299 N MET A 23 5.152 -8.126 2.358 1.00 1.00 N ATOM 300 CA MET A 23 6.591 -8.060 2.606 1.00 1.00 C ATOM 301 C MET A 23 7.240 -7.030 1.692 1.00 1.00 C ATOM 302 O MET A 23 7.039 -7.045 0.477 1.00 1.00 O ATOM 303 CB MET A 23 7.228 -9.432 2.369 1.00 1.00 C ATOM 304 CG MET A 23 6.666 -10.442 3.374 1.00 1.00 C ATOM 305 SD MET A 23 5.029 -10.985 2.826 1.00 1.00 S ATOM 306 CE MET A 23 4.706 -12.145 4.177 1.00 1.00 C ATOM 0 H MET A 23 4.896 -8.192 1.373 1.00 1.00 H new ATOM 0 HA MET A 23 6.750 -7.763 3.643 1.00 1.00 H new ATOM 0 HB2 MET A 23 7.027 -9.766 1.351 1.00 1.00 H new ATOM 0 HB3 MET A 23 8.311 -9.364 2.474 1.00 1.00 H new ATOM 0 HG2 MET A 23 7.336 -11.298 3.460 1.00 1.00 H new ATOM 0 HG3 MET A 23 6.599 -9.989 4.363 1.00 1.00 H new ATOM 0 HE1 MET A 23 3.644 -12.387 4.202 1.00 1.00 H new ATOM 0 HE2 MET A 23 5.282 -13.057 4.019 1.00 1.00 H new ATOM 0 HE3 MET A 23 4.997 -11.691 5.124 1.00 1.00 H new ATOM 316 N GLU A 24 8.020 -6.137 2.292 1.00 1.00 N ATOM 317 CA GLU A 24 8.708 -5.089 1.544 1.00 1.00 C ATOM 318 C GLU A 24 10.102 -5.553 1.137 1.00 1.00 C ATOM 319 O GLU A 24 10.946 -5.831 1.987 1.00 1.00 O ATOM 320 CB GLU A 24 8.809 -3.828 2.409 1.00 1.00 C ATOM 321 CG GLU A 24 9.517 -2.721 1.631 1.00 1.00 C ATOM 322 CD GLU A 24 9.478 -1.422 2.429 1.00 1.00 C ATOM 323 OE1 GLU A 24 9.137 -1.478 3.599 1.00 1.00 O ATOM 324 OE2 GLU A 24 9.786 -0.389 1.857 1.00 1.00 O ATOM 0 H GLU A 24 8.192 -6.118 3.297 1.00 1.00 H new ATOM 0 HA GLU A 24 8.140 -4.867 0.641 1.00 1.00 H new ATOM 0 HB2 GLU A 24 7.813 -3.498 2.704 1.00 1.00 H new ATOM 0 HB3 GLU A 24 9.356 -4.048 3.326 1.00 1.00 H new ATOM 0 HG2 GLU A 24 10.550 -3.006 1.434 1.00 1.00 H new ATOM 0 HG3 GLU A 24 9.035 -2.579 0.664 1.00 1.00 H new ATOM 331 N MET A 25 10.335 -5.637 -0.173 1.00 1.00 N ATOM 332 CA MET A 25 11.633 -6.075 -0.692 1.00 1.00 C ATOM 333 C MET A 25 12.461 -4.882 -1.155 1.00 1.00 C ATOM 334 O MET A 25 11.958 -3.992 -1.840 1.00 1.00 O ATOM 335 CB MET A 25 11.430 -7.026 -1.875 1.00 1.00 C ATOM 336 CG MET A 25 10.747 -8.309 -1.400 1.00 1.00 C ATOM 337 SD MET A 25 10.603 -9.478 -2.780 1.00 1.00 S ATOM 338 CE MET A 25 9.250 -8.660 -3.662 1.00 1.00 C ATOM 0 H MET A 25 9.647 -5.409 -0.891 1.00 1.00 H new ATOM 0 HA MET A 25 12.162 -6.588 0.111 1.00 1.00 H new ATOM 0 HB2 MET A 25 10.824 -6.543 -2.641 1.00 1.00 H new ATOM 0 HB3 MET A 25 12.391 -7.263 -2.332 1.00 1.00 H new ATOM 0 HG2 MET A 25 11.321 -8.758 -0.590 1.00 1.00 H new ATOM 0 HG3 MET A 25 9.759 -8.079 -1.002 1.00 1.00 H new ATOM 0 HE1 MET A 25 8.791 -9.363 -4.357 1.00 1.00 H new ATOM 0 HE2 MET A 25 8.503 -8.318 -2.946 1.00 1.00 H new ATOM 0 HE3 MET A 25 9.640 -7.806 -4.215 1.00 1.00 H new ATOM 348 N LYS A 26 13.741 -4.882 -0.794 1.00 1.00 N ATOM 349 CA LYS A 26 14.656 -3.810 -1.195 1.00 1.00 C ATOM 350 C LYS A 26 15.956 -4.410 -1.707 1.00 1.00 C ATOM 351 O LYS A 26 16.351 -5.501 -1.302 1.00 1.00 O ATOM 352 CB LYS A 26 14.959 -2.869 -0.025 1.00 1.00 C ATOM 353 CG LYS A 26 13.688 -2.132 0.387 1.00 1.00 C ATOM 354 CD LYS A 26 14.020 -1.159 1.518 1.00 1.00 C ATOM 355 CE LYS A 26 12.748 -0.435 1.947 1.00 1.00 C ATOM 356 NZ LYS A 26 13.065 0.526 3.040 1.00 1.00 N ATOM 0 H LYS A 26 14.171 -5.611 -0.225 1.00 1.00 H new ATOM 0 HA LYS A 26 14.174 -3.234 -1.984 1.00 1.00 H new ATOM 0 HB2 LYS A 26 15.351 -3.437 0.819 1.00 1.00 H new ATOM 0 HB3 LYS A 26 15.729 -2.153 -0.312 1.00 1.00 H new ATOM 0 HG2 LYS A 26 13.273 -1.592 -0.464 1.00 1.00 H new ATOM 0 HG3 LYS A 26 12.929 -2.844 0.713 1.00 1.00 H new ATOM 0 HD2 LYS A 26 14.449 -1.698 2.363 1.00 1.00 H new ATOM 0 HD3 LYS A 26 14.768 -0.439 1.186 1.00 1.00 H new ATOM 0 HE2 LYS A 26 12.315 0.094 1.098 1.00 1.00 H new ATOM 0 HE3 LYS A 26 12.004 -1.156 2.287 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 12.197 1.019 3.332 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 13.460 0.010 3.852 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 13.760 1.221 2.700 1.00 1.00 H new ATOM 370 N GLY A 27 16.608 -3.690 -2.606 1.00 1.00 N ATOM 371 CA GLY A 27 17.867 -4.141 -3.191 1.00 1.00 C ATOM 372 C GLY A 27 18.740 -4.911 -2.193 1.00 1.00 C ATOM 373 O GLY A 27 18.988 -6.103 -2.367 1.00 1.00 O ATOM 0 H GLY A 27 16.286 -2.785 -2.950 1.00 1.00 H new ATOM 0 HA2 GLY A 27 17.656 -4.778 -4.050 1.00 1.00 H new ATOM 0 HA3 GLY A 27 18.420 -3.278 -3.562 1.00 1.00 H new ATOM 377 N PRO A 28 19.235 -4.243 -1.181 1.00 1.00 N ATOM 378 CA PRO A 28 20.138 -4.866 -0.157 1.00 1.00 C ATOM 379 C PRO A 28 19.482 -6.019 0.623 1.00 1.00 C ATOM 380 O PRO A 28 20.156 -6.982 0.989 1.00 1.00 O ATOM 381 CB PRO A 28 20.515 -3.685 0.765 1.00 1.00 C ATOM 382 CG PRO A 28 19.437 -2.668 0.558 1.00 1.00 C ATOM 383 CD PRO A 28 18.985 -2.822 -0.892 1.00 1.00 C ATOM 0 HA PRO A 28 21.002 -5.340 -0.622 1.00 1.00 H new ATOM 0 HB2 PRO A 28 20.565 -3.999 1.807 1.00 1.00 H new ATOM 0 HB3 PRO A 28 21.494 -3.280 0.507 1.00 1.00 H new ATOM 0 HG2 PRO A 28 18.607 -2.834 1.245 1.00 1.00 H new ATOM 0 HG3 PRO A 28 19.810 -1.661 0.746 1.00 1.00 H new ATOM 0 HD2 PRO A 28 17.932 -2.567 -1.013 1.00 1.00 H new ATOM 0 HD3 PRO A 28 19.550 -2.171 -1.560 1.00 1.00 H new ATOM 391 N LEU A 29 18.176 -5.926 0.869 1.00 1.00 N ATOM 392 CA LEU A 29 17.467 -6.985 1.602 1.00 1.00 C ATOM 393 C LEU A 29 15.974 -6.682 1.672 1.00 1.00 C ATOM 394 O LEU A 29 15.513 -5.697 1.107 1.00 1.00 O ATOM 395 CB LEU A 29 18.032 -7.132 3.027 1.00 1.00 C ATOM 396 CG LEU A 29 18.308 -5.758 3.651 1.00 1.00 C ATOM 397 CD1 LEU A 29 17.017 -4.931 3.717 1.00 1.00 C ATOM 398 CD2 LEU A 29 18.856 -5.957 5.066 1.00 1.00 C ATOM 0 H LEU A 29 17.591 -5.143 0.579 1.00 1.00 H new ATOM 0 HA LEU A 29 17.615 -7.922 1.064 1.00 1.00 H new ATOM 0 HB2 LEU A 29 17.325 -7.682 3.648 1.00 1.00 H new ATOM 0 HB3 LEU A 29 18.953 -7.715 2.999 1.00 1.00 H new ATOM 0 HG LEU A 29 19.034 -5.225 3.037 1.00 1.00 H new ATOM 0 HD11 LEU A 29 17.230 -3.959 4.162 1.00 1.00 H new ATOM 0 HD12 LEU A 29 16.623 -4.791 2.710 1.00 1.00 H new ATOM 0 HD13 LEU A 29 16.280 -5.455 4.325 1.00 1.00 H new ATOM 0 HD21 LEU A 29 19.056 -4.986 5.519 1.00 1.00 H new ATOM 0 HD22 LEU A 29 18.123 -6.494 5.668 1.00 1.00 H new ATOM 0 HD23 LEU A 29 19.780 -6.533 5.021 1.00 1.00 H new ATOM 410 N ARG A 30 15.216 -7.532 2.374 1.00 1.00 N ATOM 411 CA ARG A 30 13.772 -7.331 2.513 1.00 1.00 C ATOM 412 C ARG A 30 13.382 -7.228 3.981 1.00 1.00 C ATOM 413 O ARG A 30 14.179 -7.520 4.873 1.00 1.00 O ATOM 414 CB ARG A 30 13.018 -8.485 1.857 1.00 1.00 C ATOM 415 CG ARG A 30 13.397 -9.811 2.524 1.00 1.00 C ATOM 416 CD ARG A 30 12.523 -10.915 1.949 1.00 1.00 C ATOM 417 NE ARG A 30 12.781 -11.077 0.522 1.00 1.00 N ATOM 418 CZ ARG A 30 12.075 -11.932 -0.212 1.00 1.00 C ATOM 419 NH1 ARG A 30 11.164 -12.680 0.347 1.00 1.00 N ATOM 420 NH2 ARG A 30 12.300 -12.029 -1.495 1.00 1.00 N ATOM 0 H ARG A 30 15.576 -8.359 2.851 1.00 1.00 H new ATOM 0 HA ARG A 30 13.505 -6.398 2.016 1.00 1.00 H new ATOM 0 HB2 ARG A 30 11.944 -8.321 1.941 1.00 1.00 H new ATOM 0 HB3 ARG A 30 13.253 -8.524 0.793 1.00 1.00 H new ATOM 0 HG2 ARG A 30 14.450 -10.034 2.350 1.00 1.00 H new ATOM 0 HG3 ARG A 30 13.259 -9.744 3.603 1.00 1.00 H new ATOM 0 HD2 ARG A 30 12.721 -11.852 2.469 1.00 1.00 H new ATOM 0 HD3 ARG A 30 11.472 -10.676 2.110 1.00 1.00 H new ATOM 0 HE ARG A 30 13.516 -10.525 0.080 1.00 1.00 H new ATOM 0 HH11 ARG A 30 10.992 -12.610 1.350 1.00 1.00 H new ATOM 0 HH12 ARG A 30 10.624 -13.335 -0.219 1.00 1.00 H new ATOM 0 HH21 ARG A 30 13.016 -11.449 -1.932 1.00 1.00 H new ATOM 0 HH22 ARG A 30 11.759 -12.684 -2.059 1.00 1.00 H new ATOM 434 N GLU A 31 12.145 -6.810 4.222 1.00 1.00 N ATOM 435 CA GLU A 31 11.640 -6.665 5.583 1.00 1.00 C ATOM 436 C GLU A 31 10.114 -6.780 5.583 1.00 1.00 C ATOM 437 O GLU A 31 9.465 -6.292 4.660 1.00 1.00 O ATOM 438 CB GLU A 31 12.047 -5.297 6.137 1.00 1.00 C ATOM 439 CG GLU A 31 11.404 -4.200 5.282 1.00 1.00 C ATOM 440 CD GLU A 31 11.968 -2.834 5.658 1.00 1.00 C ATOM 441 OE1 GLU A 31 11.858 -2.468 6.816 1.00 1.00 O ATOM 442 OE2 GLU A 31 12.498 -2.173 4.780 1.00 1.00 O ATOM 0 H GLU A 31 11.474 -6.566 3.494 1.00 1.00 H new ATOM 0 HA GLU A 31 12.062 -7.452 6.208 1.00 1.00 H new ATOM 0 HB2 GLU A 31 11.728 -5.201 7.175 1.00 1.00 H new ATOM 0 HB3 GLU A 31 13.132 -5.195 6.127 1.00 1.00 H new ATOM 0 HG2 GLU A 31 11.588 -4.398 4.226 1.00 1.00 H new ATOM 0 HG3 GLU A 31 10.323 -4.206 5.424 1.00 1.00 H new ATOM 449 N PRO A 32 9.515 -7.399 6.576 1.00 1.00 N ATOM 450 CA PRO A 32 8.030 -7.537 6.622 1.00 1.00 C ATOM 451 C PRO A 32 7.349 -6.172 6.689 1.00 1.00 C ATOM 452 O PRO A 32 7.855 -5.244 7.319 1.00 1.00 O ATOM 453 CB PRO A 32 7.767 -8.382 7.884 1.00 1.00 C ATOM 454 CG PRO A 32 9.001 -8.236 8.721 1.00 1.00 C ATOM 455 CD PRO A 32 10.158 -8.020 7.746 1.00 1.00 C ATOM 0 HA PRO A 32 7.623 -8.008 5.727 1.00 1.00 H new ATOM 0 HB2 PRO A 32 6.885 -8.028 8.418 1.00 1.00 H new ATOM 0 HB3 PRO A 32 7.587 -9.426 7.628 1.00 1.00 H new ATOM 0 HG2 PRO A 32 8.908 -7.394 9.407 1.00 1.00 H new ATOM 0 HG3 PRO A 32 9.166 -9.126 9.329 1.00 1.00 H new ATOM 0 HD2 PRO A 32 10.925 -7.373 8.172 1.00 1.00 H new ATOM 0 HD3 PRO A 32 10.643 -8.961 7.485 1.00 1.00 H new ATOM 463 N CYS A 33 6.208 -6.056 6.019 1.00 1.00 N ATOM 464 CA CYS A 33 5.471 -4.799 5.990 1.00 1.00 C ATOM 465 C CYS A 33 3.986 -5.059 5.758 1.00 1.00 C ATOM 466 O CYS A 33 3.559 -6.204 5.632 1.00 1.00 O ATOM 467 CB CYS A 33 6.026 -3.910 4.869 1.00 1.00 C ATOM 468 SG CYS A 33 5.398 -4.478 3.266 1.00 1.00 S ATOM 0 H CYS A 33 5.775 -6.814 5.491 1.00 1.00 H new ATOM 0 HA CYS A 33 5.589 -4.295 6.949 1.00 1.00 H new ATOM 0 HB2 CYS A 33 5.735 -2.873 5.037 1.00 1.00 H new ATOM 0 HB3 CYS A 33 7.116 -3.940 4.874 1.00 1.00 H new ATOM 0 HG CYS A 33 4.907 -3.469 2.610 1.00 1.00 H new ATOM 474 N ALA A 34 3.209 -3.983 5.695 1.00 1.00 N ATOM 475 CA ALA A 34 1.771 -4.093 5.465 1.00 1.00 C ATOM 476 C ALA A 34 1.276 -2.883 4.683 1.00 1.00 C ATOM 477 O ALA A 34 1.667 -1.750 4.963 1.00 1.00 O ATOM 478 CB ALA A 34 1.030 -4.179 6.801 1.00 1.00 C ATOM 0 H ALA A 34 3.548 -3.027 5.799 1.00 1.00 H new ATOM 0 HA ALA A 34 1.576 -4.998 4.890 1.00 1.00 H new ATOM 0 HB1 ALA A 34 -0.041 -4.261 6.618 1.00 1.00 H new ATOM 0 HB2 ALA A 34 1.372 -5.056 7.351 1.00 1.00 H new ATOM 0 HB3 ALA A 34 1.231 -3.282 7.387 1.00 1.00 H new ATOM 484 N LEU A 35 0.411 -3.129 3.701 1.00 1.00 N ATOM 485 CA LEU A 35 -0.132 -2.047 2.881 1.00 1.00 C ATOM 486 C LEU A 35 -1.541 -1.708 3.342 1.00 1.00 C ATOM 487 O LEU A 35 -2.411 -2.577 3.396 1.00 1.00 O ATOM 488 CB LEU A 35 -0.165 -2.472 1.412 1.00 1.00 C ATOM 489 CG LEU A 35 1.194 -3.056 1.009 1.00 1.00 C ATOM 490 CD1 LEU A 35 1.188 -3.355 -0.493 1.00 1.00 C ATOM 491 CD2 LEU A 35 2.310 -2.056 1.328 1.00 1.00 C ATOM 0 H LEU A 35 0.073 -4.059 3.455 1.00 1.00 H new ATOM 0 HA LEU A 35 0.505 -1.169 2.988 1.00 1.00 H new ATOM 0 HB2 LEU A 35 -0.950 -3.212 1.256 1.00 1.00 H new ATOM 0 HB3 LEU A 35 -0.404 -1.616 0.782 1.00 1.00 H new ATOM 0 HG LEU A 35 1.371 -3.975 1.568 1.00 1.00 H new ATOM 0 HD11 LEU A 35 2.152 -3.771 -0.785 1.00 1.00 H new ATOM 0 HD12 LEU A 35 0.400 -4.074 -0.718 1.00 1.00 H new ATOM 0 HD13 LEU A 35 1.007 -2.434 -1.047 1.00 1.00 H new ATOM 0 HD21 LEU A 35 3.272 -2.479 1.038 1.00 1.00 H new ATOM 0 HD22 LEU A 35 2.139 -1.132 0.776 1.00 1.00 H new ATOM 0 HD23 LEU A 35 2.314 -1.844 2.397 1.00 1.00 H new ATOM 503 N THR A 36 -1.757 -0.437 3.689 1.00 1.00 N ATOM 504 CA THR A 36 -3.068 0.013 4.162 1.00 1.00 C ATOM 505 C THR A 36 -3.556 1.219 3.376 1.00 1.00 C ATOM 506 O THR A 36 -2.889 2.250 3.311 1.00 1.00 O ATOM 507 CB THR A 36 -2.983 0.372 5.648 1.00 1.00 C ATOM 508 OG1 THR A 36 -2.559 -0.769 6.380 1.00 1.00 O ATOM 509 CG2 THR A 36 -4.354 0.823 6.154 1.00 1.00 C ATOM 0 H THR A 36 -1.047 0.294 3.652 1.00 1.00 H new ATOM 0 HA THR A 36 -3.779 -0.800 4.015 1.00 1.00 H new ATOM 0 HB THR A 36 -2.269 1.184 5.784 1.00 1.00 H new ATOM 0 HG1 THR A 36 -2.936 -0.737 7.284 1.00 1.00 H new ATOM 0 HG21 THR A 36 -4.286 1.077 7.212 1.00 1.00 H new ATOM 0 HG22 THR A 36 -4.680 1.698 5.591 1.00 1.00 H new ATOM 0 HG23 THR A 36 -5.075 0.016 6.020 1.00 1.00 H new ATOM 517 N LEU A 37 -4.747 1.081 2.801 1.00 1.00 N ATOM 518 CA LEU A 37 -5.361 2.158 2.035 1.00 1.00 C ATOM 519 C LEU A 37 -6.234 2.989 2.961 1.00 1.00 C ATOM 520 O LEU A 37 -7.063 2.446 3.691 1.00 1.00 O ATOM 521 CB LEU A 37 -6.212 1.568 0.904 1.00 1.00 C ATOM 522 CG LEU A 37 -6.912 2.688 0.117 1.00 1.00 C ATOM 523 CD1 LEU A 37 -5.871 3.674 -0.440 1.00 1.00 C ATOM 524 CD2 LEU A 37 -7.728 2.072 -1.034 1.00 1.00 C ATOM 0 H LEU A 37 -5.307 0.230 2.852 1.00 1.00 H new ATOM 0 HA LEU A 37 -4.586 2.789 1.600 1.00 1.00 H new ATOM 0 HB2 LEU A 37 -5.582 0.983 0.234 1.00 1.00 H new ATOM 0 HB3 LEU A 37 -6.955 0.887 1.318 1.00 1.00 H new ATOM 0 HG LEU A 37 -7.583 3.231 0.783 1.00 1.00 H new ATOM 0 HD11 LEU A 37 -6.378 4.463 -0.996 1.00 1.00 H new ATOM 0 HD12 LEU A 37 -5.309 4.114 0.384 1.00 1.00 H new ATOM 0 HD13 LEU A 37 -5.187 3.145 -1.104 1.00 1.00 H new ATOM 0 HD21 LEU A 37 -8.225 2.865 -1.593 1.00 1.00 H new ATOM 0 HD22 LEU A 37 -7.062 1.522 -1.699 1.00 1.00 H new ATOM 0 HD23 LEU A 37 -8.476 1.392 -0.626 1.00 1.00 H new ATOM 536 N ALA A 38 -6.044 4.306 2.946 1.00 1.00 N ATOM 537 CA ALA A 38 -6.826 5.183 3.814 1.00 1.00 C ATOM 538 C ALA A 38 -7.240 6.459 3.088 1.00 1.00 C ATOM 539 O ALA A 38 -6.530 6.952 2.211 1.00 1.00 O ATOM 540 CB ALA A 38 -6.009 5.535 5.059 1.00 1.00 C ATOM 0 H ALA A 38 -5.366 4.784 2.352 1.00 1.00 H new ATOM 0 HA ALA A 38 -7.733 4.653 4.106 1.00 1.00 H new ATOM 0 HB1 ALA A 38 -6.594 6.189 5.705 1.00 1.00 H new ATOM 0 HB2 ALA A 38 -5.757 4.622 5.599 1.00 1.00 H new ATOM 0 HB3 ALA A 38 -5.093 6.045 4.761 1.00 1.00 H new ATOM 546 N GLN A 39 -8.403 6.984 3.472 1.00 1.00 N ATOM 547 CA GLN A 39 -8.942 8.210 2.879 1.00 1.00 C ATOM 548 C GLN A 39 -8.867 9.349 3.893 1.00 1.00 C ATOM 549 O GLN A 39 -9.411 9.240 4.992 1.00 1.00 O ATOM 550 CB GLN A 39 -10.404 7.979 2.483 1.00 1.00 C ATOM 551 CG GLN A 39 -10.951 9.204 1.742 1.00 1.00 C ATOM 552 CD GLN A 39 -12.440 9.016 1.468 1.00 1.00 C ATOM 553 OE1 GLN A 39 -12.817 8.318 0.526 1.00 1.00 O ATOM 554 NE2 GLN A 39 -13.311 9.599 2.245 1.00 1.00 N ATOM 0 H GLN A 39 -8.995 6.577 4.196 1.00 1.00 H new ATOM 0 HA GLN A 39 -8.358 8.473 1.997 1.00 1.00 H new ATOM 0 HB2 GLN A 39 -10.481 7.096 1.848 1.00 1.00 H new ATOM 0 HB3 GLN A 39 -11.003 7.785 3.373 1.00 1.00 H new ATOM 0 HG2 GLN A 39 -10.792 10.103 2.338 1.00 1.00 H new ATOM 0 HG3 GLN A 39 -10.413 9.344 0.804 1.00 1.00 H new ATOM 0 HE21 GLN A 39 -12.994 10.176 3.024 1.00 1.00 H new ATOM 0 HE22 GLN A 39 -14.309 9.478 2.074 1.00 1.00 H new ATOM 563 N ARG A 40 -8.194 10.441 3.527 1.00 1.00 N ATOM 564 CA ARG A 40 -8.062 11.588 4.431 1.00 1.00 C ATOM 565 C ARG A 40 -8.317 12.901 3.697 1.00 1.00 C ATOM 566 O ARG A 40 -7.829 13.111 2.586 1.00 1.00 O ATOM 567 CB ARG A 40 -6.663 11.596 5.052 1.00 1.00 C ATOM 568 CG ARG A 40 -6.626 12.580 6.222 1.00 1.00 C ATOM 569 CD ARG A 40 -5.272 12.485 6.926 1.00 1.00 C ATOM 570 NE ARG A 40 -4.206 12.954 6.050 1.00 1.00 N ATOM 571 CZ ARG A 40 -2.931 12.857 6.411 1.00 1.00 C ATOM 572 NH1 ARG A 40 -2.619 12.321 7.560 1.00 1.00 N ATOM 573 NH2 ARG A 40 -1.991 13.294 5.620 1.00 1.00 N ATOM 0 H ARG A 40 -7.736 10.557 2.623 1.00 1.00 H new ATOM 0 HA ARG A 40 -8.810 11.493 5.218 1.00 1.00 H new ATOM 0 HB2 ARG A 40 -6.402 10.596 5.397 1.00 1.00 H new ATOM 0 HB3 ARG A 40 -5.923 11.878 4.303 1.00 1.00 H new ATOM 0 HG2 ARG A 40 -6.790 13.596 5.862 1.00 1.00 H new ATOM 0 HG3 ARG A 40 -7.429 12.357 6.924 1.00 1.00 H new ATOM 0 HD2 ARG A 40 -5.288 13.080 7.839 1.00 1.00 H new ATOM 0 HD3 ARG A 40 -5.081 11.453 7.221 1.00 1.00 H new ATOM 0 HE ARG A 40 -4.442 13.363 5.146 1.00 1.00 H new ATOM 0 HH11 ARG A 40 -3.354 11.978 8.179 1.00 1.00 H new ATOM 0 HH12 ARG A 40 -1.641 12.246 7.839 1.00 1.00 H new ATOM 0 HH21 ARG A 40 -2.234 13.712 4.722 1.00 1.00 H new ATOM 0 HH22 ARG A 40 -1.013 13.218 5.900 1.00 1.00 H new ATOM 587 N ASN A 41 -9.087 13.777 4.335 1.00 1.00 N ATOM 588 CA ASN A 41 -9.417 15.079 3.758 1.00 1.00 C ATOM 589 C ASN A 41 -10.158 14.932 2.430 1.00 1.00 C ATOM 590 O ASN A 41 -9.989 15.750 1.526 1.00 1.00 O ATOM 591 CB ASN A 41 -8.140 15.893 3.538 1.00 1.00 C ATOM 592 CG ASN A 41 -7.335 15.955 4.831 1.00 1.00 C ATOM 593 OD1 ASN A 41 -6.117 16.133 4.797 1.00 1.00 O ATOM 594 ND2 ASN A 41 -7.945 15.820 5.974 1.00 1.00 N ATOM 0 H ASN A 41 -9.496 13.610 5.254 1.00 1.00 H new ATOM 0 HA ASN A 41 -10.071 15.596 4.461 1.00 1.00 H new ATOM 0 HB2 ASN A 41 -7.541 15.440 2.748 1.00 1.00 H new ATOM 0 HB3 ASN A 41 -8.393 16.901 3.208 1.00 1.00 H new ATOM 0 HD21 ASN A 41 -7.414 15.862 6.844 1.00 1.00 H new ATOM 0 HD22 ASN A 41 -8.954 15.673 5.999 1.00 1.00 H new ATOM 601 N GLY A 42 -10.987 13.898 2.317 1.00 1.00 N ATOM 602 CA GLY A 42 -11.751 13.684 1.091 1.00 1.00 C ATOM 603 C GLY A 42 -10.836 13.271 -0.057 1.00 1.00 C ATOM 604 O GLY A 42 -11.181 13.428 -1.229 1.00 1.00 O ATOM 0 H GLY A 42 -11.146 13.204 3.048 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -12.503 12.913 1.257 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -12.284 14.597 0.826 1.00 1.00 H new ATOM 608 N GLN A 43 -9.666 12.747 0.292 1.00 1.00 N ATOM 609 CA GLN A 43 -8.681 12.307 -0.695 1.00 1.00 C ATOM 610 C GLN A 43 -8.215 10.894 -0.368 1.00 1.00 C ATOM 611 O GLN A 43 -8.301 10.458 0.775 1.00 1.00 O ATOM 612 CB GLN A 43 -7.490 13.275 -0.673 1.00 1.00 C ATOM 613 CG GLN A 43 -6.335 12.720 -1.509 1.00 1.00 C ATOM 614 CD GLN A 43 -5.252 13.786 -1.661 1.00 1.00 C ATOM 615 OE1 GLN A 43 -5.514 14.968 -1.440 1.00 1.00 O ATOM 616 NE2 GLN A 43 -4.046 13.440 -2.024 1.00 1.00 N ATOM 0 H GLN A 43 -9.373 12.615 1.260 1.00 1.00 H new ATOM 0 HA GLN A 43 -9.130 12.303 -1.688 1.00 1.00 H new ATOM 0 HB2 GLN A 43 -7.795 14.246 -1.063 1.00 1.00 H new ATOM 0 HB3 GLN A 43 -7.161 13.433 0.354 1.00 1.00 H new ATOM 0 HG2 GLN A 43 -5.921 11.832 -1.031 1.00 1.00 H new ATOM 0 HG3 GLN A 43 -6.698 12.414 -2.490 1.00 1.00 H new ATOM 0 HE21 GLN A 43 -3.830 12.460 -2.207 1.00 1.00 H new ATOM 0 HE22 GLN A 43 -3.320 14.150 -2.125 1.00 1.00 H new ATOM 625 N TYR A 44 -7.715 10.182 -1.376 1.00 1.00 N ATOM 626 CA TYR A 44 -7.231 8.819 -1.176 1.00 1.00 C ATOM 627 C TYR A 44 -5.715 8.825 -1.024 1.00 1.00 C ATOM 628 O TYR A 44 -5.006 9.450 -1.813 1.00 1.00 O ATOM 629 CB TYR A 44 -7.622 7.947 -2.373 1.00 1.00 C ATOM 630 CG TYR A 44 -9.118 7.739 -2.390 1.00 1.00 C ATOM 631 CD1 TYR A 44 -9.958 8.709 -2.952 1.00 1.00 C ATOM 632 CD2 TYR A 44 -9.668 6.567 -1.852 1.00 1.00 C ATOM 633 CE1 TYR A 44 -11.345 8.509 -2.973 1.00 1.00 C ATOM 634 CE2 TYR A 44 -11.054 6.369 -1.871 1.00 1.00 C ATOM 635 CZ TYR A 44 -11.893 7.340 -2.433 1.00 1.00 C ATOM 636 OH TYR A 44 -13.258 7.143 -2.453 1.00 1.00 O ATOM 0 H TYR A 44 -7.635 10.524 -2.334 1.00 1.00 H new ATOM 0 HA TYR A 44 -7.682 8.412 -0.271 1.00 1.00 H new ATOM 0 HB2 TYR A 44 -7.301 8.422 -3.300 1.00 1.00 H new ATOM 0 HB3 TYR A 44 -7.113 6.985 -2.315 1.00 1.00 H new ATOM 0 HD1 TYR A 44 -9.537 9.612 -3.369 1.00 1.00 H new ATOM 0 HD2 TYR A 44 -9.022 5.816 -1.422 1.00 1.00 H new ATOM 0 HE1 TYR A 44 -11.992 9.258 -3.406 1.00 1.00 H new ATOM 0 HE2 TYR A 44 -11.476 5.467 -1.452 1.00 1.00 H new ATOM 0 HH TYR A 44 -13.470 6.281 -2.039 1.00 1.00 H new ATOM 646 N GLU A 45 -5.222 8.123 -0.006 1.00 1.00 N ATOM 647 CA GLU A 45 -3.783 8.045 0.242 1.00 1.00 C ATOM 648 C GLU A 45 -3.404 6.637 0.680 1.00 1.00 C ATOM 649 O GLU A 45 -4.180 5.948 1.338 1.00 1.00 O ATOM 650 CB GLU A 45 -3.360 9.066 1.308 1.00 1.00 C ATOM 651 CG GLU A 45 -3.981 8.722 2.667 1.00 1.00 C ATOM 652 CD GLU A 45 -3.533 9.745 3.706 1.00 1.00 C ATOM 653 OE1 GLU A 45 -2.422 10.236 3.582 1.00 1.00 O ATOM 654 OE2 GLU A 45 -4.301 10.017 4.611 1.00 1.00 O ATOM 0 H GLU A 45 -5.794 7.602 0.658 1.00 1.00 H new ATOM 0 HA GLU A 45 -3.259 8.280 -0.684 1.00 1.00 H new ATOM 0 HB2 GLU A 45 -2.273 9.081 1.393 1.00 1.00 H new ATOM 0 HB3 GLU A 45 -3.670 10.066 1.004 1.00 1.00 H new ATOM 0 HG2 GLU A 45 -5.068 8.718 2.591 1.00 1.00 H new ATOM 0 HG3 GLU A 45 -3.679 7.721 2.974 1.00 1.00 H new ATOM 661 N LEU A 46 -2.202 6.217 0.302 1.00 1.00 N ATOM 662 CA LEU A 46 -1.709 4.886 0.644 1.00 1.00 C ATOM 663 C LEU A 46 -0.691 4.970 1.773 1.00 1.00 C ATOM 664 O LEU A 46 0.332 5.643 1.651 1.00 1.00 O ATOM 665 CB LEU A 46 -1.055 4.263 -0.598 1.00 1.00 C ATOM 666 CG LEU A 46 -0.427 2.903 -0.263 1.00 1.00 C ATOM 667 CD1 LEU A 46 -1.483 1.960 0.327 1.00 1.00 C ATOM 668 CD2 LEU A 46 0.143 2.293 -1.547 1.00 1.00 C ATOM 0 H LEU A 46 -1.549 6.780 -0.243 1.00 1.00 H new ATOM 0 HA LEU A 46 -2.543 4.268 0.976 1.00 1.00 H new ATOM 0 HB2 LEU A 46 -1.801 4.140 -1.383 1.00 1.00 H new ATOM 0 HB3 LEU A 46 -0.290 4.935 -0.987 1.00 1.00 H new ATOM 0 HG LEU A 46 0.366 3.042 0.472 1.00 1.00 H new ATOM 0 HD11 LEU A 46 -1.024 0.999 0.560 1.00 1.00 H new ATOM 0 HD12 LEU A 46 -1.892 2.397 1.238 1.00 1.00 H new ATOM 0 HD13 LEU A 46 -2.285 1.813 -0.397 1.00 1.00 H new ATOM 0 HD21 LEU A 46 0.592 1.326 -1.322 1.00 1.00 H new ATOM 0 HD22 LEU A 46 -0.658 2.161 -2.274 1.00 1.00 H new ATOM 0 HD23 LEU A 46 0.901 2.958 -1.960 1.00 1.00 H new ATOM 680 N ILE A 47 -0.972 4.268 2.869 1.00 1.00 N ATOM 681 CA ILE A 47 -0.070 4.250 4.019 1.00 1.00 C ATOM 682 C ILE A 47 0.661 2.917 4.075 1.00 1.00 C ATOM 683 O ILE A 47 0.036 1.868 4.229 1.00 1.00 O ATOM 684 CB ILE A 47 -0.862 4.432 5.316 1.00 1.00 C ATOM 685 CG1 ILE A 47 -1.609 5.766 5.281 1.00 1.00 C ATOM 686 CG2 ILE A 47 0.103 4.418 6.504 1.00 1.00 C ATOM 687 CD1 ILE A 47 -2.591 5.831 6.454 1.00 1.00 C ATOM 0 H ILE A 47 -1.815 3.705 2.985 1.00 1.00 H new ATOM 0 HA ILE A 47 0.646 5.065 3.912 1.00 1.00 H new ATOM 0 HB ILE A 47 -1.582 3.620 5.419 1.00 1.00 H new ATOM 0 HG12 ILE A 47 -0.901 6.593 5.339 1.00 1.00 H new ATOM 0 HG13 ILE A 47 -2.145 5.870 4.338 1.00 1.00 H new ATOM 0 HG21 ILE A 47 -0.458 4.547 7.430 1.00 1.00 H new ATOM 0 HG22 ILE A 47 0.633 3.466 6.531 1.00 1.00 H new ATOM 0 HG23 ILE A 47 0.822 5.231 6.399 1.00 1.00 H new ATOM 0 HD11 ILE A 47 -3.124 6.781 6.430 1.00 1.00 H new ATOM 0 HD12 ILE A 47 -3.306 5.012 6.376 1.00 1.00 H new ATOM 0 HD13 ILE A 47 -2.043 5.746 7.392 1.00 1.00 H new ATOM 699 N ILE A 48 1.983 2.957 3.955 1.00 1.00 N ATOM 700 CA ILE A 48 2.780 1.731 4.000 1.00 1.00 C ATOM 701 C ILE A 48 3.382 1.567 5.385 1.00 1.00 C ATOM 702 O ILE A 48 4.156 2.407 5.841 1.00 1.00 O ATOM 703 CB ILE A 48 3.895 1.800 2.962 1.00 1.00 C ATOM 704 CG1 ILE A 48 3.286 2.013 1.576 1.00 1.00 C ATOM 705 CG2 ILE A 48 4.689 0.492 2.971 1.00 1.00 C ATOM 706 CD1 ILE A 48 4.398 2.327 0.577 1.00 1.00 C ATOM 0 H ILE A 48 2.523 3.813 3.827 1.00 1.00 H new ATOM 0 HA ILE A 48 2.139 0.878 3.780 1.00 1.00 H new ATOM 0 HB ILE A 48 4.561 2.629 3.202 1.00 1.00 H new ATOM 0 HG12 ILE A 48 2.743 1.121 1.264 1.00 1.00 H new ATOM 0 HG13 ILE A 48 2.566 2.831 1.605 1.00 1.00 H new ATOM 0 HG21 ILE A 48 5.485 0.544 2.228 1.00 1.00 H new ATOM 0 HG22 ILE A 48 5.124 0.337 3.958 1.00 1.00 H new ATOM 0 HG23 ILE A 48 4.025 -0.339 2.733 1.00 1.00 H new ATOM 0 HD11 ILE A 48 3.966 2.479 -0.412 1.00 1.00 H new ATOM 0 HD12 ILE A 48 4.921 3.231 0.888 1.00 1.00 H new ATOM 0 HD13 ILE A 48 5.101 1.495 0.542 1.00 1.00 H new ATOM 718 N GLN A 49 3.015 0.480 6.059 1.00 1.00 N ATOM 719 CA GLN A 49 3.515 0.215 7.406 1.00 1.00 C ATOM 720 C GLN A 49 4.651 -0.792 7.374 1.00 1.00 C ATOM 721 O GLN A 49 4.538 -1.843 6.752 1.00 1.00 O ATOM 722 CB GLN A 49 2.390 -0.330 8.276 1.00 1.00 C ATOM 723 CG GLN A 49 1.330 0.750 8.457 1.00 1.00 C ATOM 724 CD GLN A 49 0.254 0.259 9.411 1.00 1.00 C ATOM 725 OE1 GLN A 49 -0.527 -0.630 9.072 1.00 1.00 O ATOM 726 NE2 GLN A 49 0.186 0.777 10.603 1.00 1.00 N ATOM 0 H GLN A 49 2.377 -0.228 5.697 1.00 1.00 H new ATOM 0 HA GLN A 49 3.886 1.152 7.821 1.00 1.00 H new ATOM 0 HB2 GLN A 49 1.951 -1.214 7.813 1.00 1.00 H new ATOM 0 HB3 GLN A 49 2.781 -0.639 9.245 1.00 1.00 H new ATOM 0 HG2 GLN A 49 1.787 1.660 8.847 1.00 1.00 H new ATOM 0 HG3 GLN A 49 0.887 1.003 7.494 1.00 1.00 H new ATOM 0 HE21 GLN A 49 0.837 1.513 10.877 1.00 1.00 H new ATOM 0 HE22 GLN A 49 -0.518 0.447 11.263 1.00 1.00 H new ATOM 735 N LEU A 50 5.743 -0.471 8.063 1.00 1.00 N ATOM 736 CA LEU A 50 6.901 -1.367 8.125 1.00 1.00 C ATOM 737 C LEU A 50 6.964 -2.025 9.498 1.00 1.00 C ATOM 738 O LEU A 50 7.013 -1.345 10.523 1.00 1.00 O ATOM 739 CB LEU A 50 8.199 -0.578 7.860 1.00 1.00 C ATOM 740 CG LEU A 50 8.454 -0.466 6.352 1.00 1.00 C ATOM 741 CD1 LEU A 50 7.208 0.080 5.649 1.00 1.00 C ATOM 742 CD2 LEU A 50 9.635 0.477 6.110 1.00 1.00 C ATOM 0 H LEU A 50 5.853 0.398 8.585 1.00 1.00 H new ATOM 0 HA LEU A 50 6.797 -2.137 7.360 1.00 1.00 H new ATOM 0 HB2 LEU A 50 8.124 0.417 8.298 1.00 1.00 H new ATOM 0 HB3 LEU A 50 9.040 -1.076 8.342 1.00 1.00 H new ATOM 0 HG LEU A 50 8.683 -1.453 5.950 1.00 1.00 H new ATOM 0 HD11 LEU A 50 7.398 0.156 4.578 1.00 1.00 H new ATOM 0 HD12 LEU A 50 6.368 -0.594 5.821 1.00 1.00 H new ATOM 0 HD13 LEU A 50 6.969 1.067 6.046 1.00 1.00 H new ATOM 0 HD21 LEU A 50 9.821 0.560 5.039 1.00 1.00 H new ATOM 0 HD22 LEU A 50 9.403 1.462 6.516 1.00 1.00 H new ATOM 0 HD23 LEU A 50 10.523 0.081 6.603 1.00 1.00 H new ATOM 754 N HIS A 51 6.965 -3.353 9.508 1.00 1.00 N ATOM 755 CA HIS A 51 7.026 -4.092 10.761 1.00 1.00 C ATOM 756 C HIS A 51 8.458 -4.146 11.268 1.00 1.00 C ATOM 757 O HIS A 51 8.896 -5.154 11.824 1.00 1.00 O ATOM 758 CB HIS A 51 6.496 -5.512 10.564 1.00 1.00 C ATOM 759 CG HIS A 51 5.047 -5.458 10.158 1.00 1.00 C ATOM 760 ND1 HIS A 51 4.056 -4.992 11.009 1.00 1.00 N ATOM 761 CD2 HIS A 51 4.407 -5.821 9.000 1.00 1.00 C ATOM 762 CE1 HIS A 51 2.884 -5.085 10.353 1.00 1.00 C ATOM 763 NE2 HIS A 51 3.042 -5.585 9.127 1.00 1.00 N ATOM 0 H HIS A 51 6.925 -3.934 8.671 1.00 1.00 H new ATOM 0 HA HIS A 51 6.406 -3.580 11.496 1.00 1.00 H new ATOM 0 HB2 HIS A 51 7.079 -6.026 9.800 1.00 1.00 H new ATOM 0 HB3 HIS A 51 6.605 -6.083 11.486 1.00 1.00 H new ATOM 0 HD1 HIS A 51 4.190 -4.643 11.958 1.00 1.00 H new ATOM 0 HD2 HIS A 51 4.889 -6.228 8.124 1.00 1.00 H new ATOM 0 HE1 HIS A 51 1.932 -4.791 10.769 1.00 1.00 H new ATOM 771 N GLU A 52 9.186 -3.052 11.068 1.00 1.00 N ATOM 772 CA GLU A 52 10.571 -2.975 11.504 1.00 1.00 C ATOM 773 C GLU A 52 10.697 -3.492 12.931 1.00 1.00 C ATOM 774 O GLU A 52 9.891 -3.154 13.798 1.00 1.00 O ATOM 775 CB GLU A 52 11.052 -1.526 11.441 1.00 1.00 C ATOM 776 CG GLU A 52 12.575 -1.482 11.561 1.00 1.00 C ATOM 777 CD GLU A 52 13.215 -2.007 10.280 1.00 1.00 C ATOM 778 OE1 GLU A 52 12.486 -2.245 9.332 1.00 1.00 O ATOM 779 OE2 GLU A 52 14.425 -2.159 10.266 1.00 1.00 O ATOM 0 H GLU A 52 8.839 -2.210 10.608 1.00 1.00 H new ATOM 0 HA GLU A 52 11.185 -3.590 10.845 1.00 1.00 H new ATOM 0 HB2 GLU A 52 10.738 -1.069 10.502 1.00 1.00 H new ATOM 0 HB3 GLU A 52 10.598 -0.947 12.245 1.00 1.00 H new ATOM 0 HG2 GLU A 52 12.904 -0.460 11.749 1.00 1.00 H new ATOM 0 HG3 GLU A 52 12.898 -2.082 12.411 1.00 1.00 H new ATOM 786 N LYS A 53 11.707 -4.314 13.164 1.00 1.00 N ATOM 787 CA LYS A 53 11.926 -4.875 14.486 1.00 1.00 C ATOM 788 C LYS A 53 12.235 -3.762 15.481 1.00 1.00 C ATOM 789 O LYS A 53 11.836 -3.828 16.643 1.00 1.00 O ATOM 790 CB LYS A 53 13.091 -5.870 14.449 1.00 1.00 C ATOM 791 CG LYS A 53 12.828 -6.978 13.415 1.00 1.00 C ATOM 792 CD LYS A 53 11.562 -7.768 13.772 1.00 1.00 C ATOM 793 CE LYS A 53 11.545 -9.085 12.990 1.00 1.00 C ATOM 794 NZ LYS A 53 10.357 -9.887 13.400 1.00 1.00 N ATOM 0 H LYS A 53 12.384 -4.606 12.459 1.00 1.00 H new ATOM 0 HA LYS A 53 11.021 -5.395 14.800 1.00 1.00 H new ATOM 0 HB2 LYS A 53 14.015 -5.347 14.202 1.00 1.00 H new ATOM 0 HB3 LYS A 53 13.230 -6.312 15.436 1.00 1.00 H new ATOM 0 HG2 LYS A 53 12.720 -6.538 12.424 1.00 1.00 H new ATOM 0 HG3 LYS A 53 13.683 -7.653 13.373 1.00 1.00 H new ATOM 0 HD2 LYS A 53 11.535 -7.968 14.843 1.00 1.00 H new ATOM 0 HD3 LYS A 53 10.675 -7.181 13.535 1.00 1.00 H new ATOM 0 HE2 LYS A 53 11.511 -8.885 11.919 1.00 1.00 H new ATOM 0 HE3 LYS A 53 12.460 -9.646 13.180 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 10.343 -10.782 12.871 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 10.409 -10.088 14.419 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 9.489 -9.351 13.197 1.00 1.00 H new ATOM 808 N GLU A 54 12.953 -2.740 15.021 1.00 1.00 N ATOM 809 CA GLU A 54 13.309 -1.624 15.890 1.00 1.00 C ATOM 810 C GLU A 54 12.063 -0.843 16.289 1.00 1.00 C ATOM 811 O GLU A 54 11.525 -1.029 17.381 1.00 1.00 O ATOM 812 CB GLU A 54 14.288 -0.686 15.178 1.00 1.00 C ATOM 813 CG GLU A 54 15.597 -1.424 14.887 1.00 1.00 C ATOM 814 CD GLU A 54 16.289 -1.809 16.192 1.00 1.00 C ATOM 815 OE1 GLU A 54 15.962 -1.218 17.210 1.00 1.00 O ATOM 816 OE2 GLU A 54 17.134 -2.687 16.156 1.00 1.00 O ATOM 0 H GLU A 54 13.296 -2.662 14.063 1.00 1.00 H new ATOM 0 HA GLU A 54 13.782 -2.027 16.785 1.00 1.00 H new ATOM 0 HB2 GLU A 54 13.849 -0.326 14.248 1.00 1.00 H new ATOM 0 HB3 GLU A 54 14.484 0.189 15.798 1.00 1.00 H new ATOM 0 HG2 GLU A 54 15.395 -2.318 14.297 1.00 1.00 H new ATOM 0 HG3 GLU A 54 16.255 -0.791 14.292 1.00 1.00 H new ATOM 823 N GLN A 55 11.609 0.034 15.397 1.00 1.00 N ATOM 824 CA GLN A 55 10.419 0.850 15.658 1.00 1.00 C ATOM 825 C GLN A 55 9.470 0.824 14.468 1.00 1.00 C ATOM 826 O GLN A 55 9.874 1.074 13.333 1.00 1.00 O ATOM 827 CB GLN A 55 10.831 2.295 15.939 1.00 1.00 C ATOM 828 CG GLN A 55 11.587 2.360 17.266 1.00 1.00 C ATOM 829 CD GLN A 55 12.033 3.791 17.540 1.00 1.00 C ATOM 830 OE1 GLN A 55 12.810 4.359 16.772 1.00 1.00 O ATOM 831 NE2 GLN A 55 11.585 4.412 18.596 1.00 1.00 N ATOM 0 H GLN A 55 12.043 0.200 14.489 1.00 1.00 H new ATOM 0 HA GLN A 55 9.907 0.434 16.526 1.00 1.00 H new ATOM 0 HB2 GLN A 55 11.460 2.669 15.131 1.00 1.00 H new ATOM 0 HB3 GLN A 55 9.949 2.935 15.979 1.00 1.00 H new ATOM 0 HG2 GLN A 55 10.948 2.008 18.076 1.00 1.00 H new ATOM 0 HG3 GLN A 55 12.454 1.700 17.233 1.00 1.00 H new ATOM 0 HE21 GLN A 55 10.941 3.940 19.231 1.00 1.00 H new ATOM 0 HE22 GLN A 55 11.878 5.370 18.787 1.00 1.00 H new ATOM 840 N HIS A 56 8.202 0.532 14.737 1.00 1.00 N ATOM 841 CA HIS A 56 7.203 0.489 13.678 1.00 1.00 C ATOM 842 C HIS A 56 7.075 1.865 13.027 1.00 1.00 C ATOM 843 O HIS A 56 6.458 2.771 13.587 1.00 1.00 O ATOM 844 CB HIS A 56 5.850 0.063 14.257 1.00 1.00 C ATOM 845 CG HIS A 56 4.862 -0.146 13.142 1.00 1.00 C ATOM 846 ND1 HIS A 56 4.149 0.901 12.579 1.00 1.00 N ATOM 847 CD2 HIS A 56 4.450 -1.278 12.483 1.00 1.00 C ATOM 848 CE1 HIS A 56 3.352 0.383 11.626 1.00 1.00 C ATOM 849 NE2 HIS A 56 3.496 -0.941 11.526 1.00 1.00 N ATOM 0 H HIS A 56 7.845 0.324 15.670 1.00 1.00 H new ATOM 0 HA HIS A 56 7.515 -0.235 12.925 1.00 1.00 H new ATOM 0 HB2 HIS A 56 5.963 -0.856 14.832 1.00 1.00 H new ATOM 0 HB3 HIS A 56 5.482 0.825 14.944 1.00 1.00 H new ATOM 0 HD1 HIS A 56 4.216 1.885 12.840 1.00 1.00 H new ATOM 0 HD2 HIS A 56 4.811 -2.277 12.677 1.00 1.00 H new ATOM 0 HE1 HIS A 56 2.678 0.967 11.016 1.00 1.00 H new ATOM 857 N VAL A 57 7.667 2.017 11.839 1.00 1.00 N ATOM 858 CA VAL A 57 7.622 3.291 11.115 1.00 1.00 C ATOM 859 C VAL A 57 6.739 3.176 9.878 1.00 1.00 C ATOM 860 O VAL A 57 6.867 2.234 9.096 1.00 1.00 O ATOM 861 CB VAL A 57 9.033 3.708 10.693 1.00 1.00 C ATOM 862 CG1 VAL A 57 9.840 4.095 11.934 1.00 1.00 C ATOM 863 CG2 VAL A 57 9.726 2.544 9.976 1.00 1.00 C ATOM 0 H VAL A 57 8.181 1.278 11.360 1.00 1.00 H new ATOM 0 HA VAL A 57 7.203 4.045 11.781 1.00 1.00 H new ATOM 0 HB VAL A 57 8.970 4.560 10.016 1.00 1.00 H new ATOM 0 HG11 VAL A 57 10.845 4.392 11.636 1.00 1.00 H new ATOM 0 HG12 VAL A 57 9.351 4.927 12.441 1.00 1.00 H new ATOM 0 HG13 VAL A 57 9.899 3.242 12.610 1.00 1.00 H new ATOM 0 HG21 VAL A 57 10.730 2.846 9.678 1.00 1.00 H new ATOM 0 HG22 VAL A 57 9.789 1.688 10.648 1.00 1.00 H new ATOM 0 HG23 VAL A 57 9.152 2.268 9.091 1.00 1.00 H new ATOM 873 N GLN A 58 5.835 4.141 9.713 1.00 1.00 N ATOM 874 CA GLN A 58 4.917 4.152 8.574 1.00 1.00 C ATOM 875 C GLN A 58 5.295 5.243 7.580 1.00 1.00 C ATOM 876 O GLN A 58 5.601 6.374 7.963 1.00 1.00 O ATOM 877 CB GLN A 58 3.486 4.388 9.068 1.00 1.00 C ATOM 878 CG GLN A 58 3.371 5.798 9.652 1.00 1.00 C ATOM 879 CD GLN A 58 2.026 5.966 10.349 1.00 1.00 C ATOM 880 OE1 GLN A 58 1.145 6.659 9.838 1.00 1.00 O ATOM 881 NE2 GLN A 58 1.814 5.374 11.492 1.00 1.00 N ATOM 0 H GLN A 58 5.718 4.926 10.354 1.00 1.00 H new ATOM 0 HA GLN A 58 4.982 3.187 8.072 1.00 1.00 H new ATOM 0 HB2 GLN A 58 2.782 4.266 8.245 1.00 1.00 H new ATOM 0 HB3 GLN A 58 3.225 3.648 9.824 1.00 1.00 H new ATOM 0 HG2 GLN A 58 4.181 5.974 10.360 1.00 1.00 H new ATOM 0 HG3 GLN A 58 3.474 6.538 8.859 1.00 1.00 H new ATOM 0 HE21 GLN A 58 2.545 4.801 11.913 1.00 1.00 H new ATOM 0 HE22 GLN A 58 0.917 5.484 11.965 1.00 1.00 H new ATOM 890 N ASP A 59 5.259 4.896 6.300 1.00 1.00 N ATOM 891 CA ASP A 59 5.578 5.843 5.235 1.00 1.00 C ATOM 892 C ASP A 59 4.288 6.360 4.611 1.00 1.00 C ATOM 893 O ASP A 59 3.455 5.579 4.151 1.00 1.00 O ATOM 894 CB ASP A 59 6.437 5.166 4.164 1.00 1.00 C ATOM 895 CG ASP A 59 7.079 6.217 3.265 1.00 1.00 C ATOM 896 OD1 ASP A 59 6.749 7.381 3.418 1.00 1.00 O ATOM 897 OD2 ASP A 59 7.891 5.843 2.435 1.00 1.00 O ATOM 0 H ASP A 59 5.011 3.963 5.971 1.00 1.00 H new ATOM 0 HA ASP A 59 6.138 6.678 5.657 1.00 1.00 H new ATOM 0 HB2 ASP A 59 7.210 4.559 4.636 1.00 1.00 H new ATOM 0 HB3 ASP A 59 5.823 4.492 3.567 1.00 1.00 H new ATOM 902 N ILE A 60 4.117 7.679 4.612 1.00 1.00 N ATOM 903 CA ILE A 60 2.908 8.283 4.057 1.00 1.00 C ATOM 904 C ILE A 60 3.119 8.636 2.591 1.00 1.00 C ATOM 905 O ILE A 60 3.994 9.434 2.252 1.00 1.00 O ATOM 906 CB ILE A 60 2.566 9.556 4.836 1.00 1.00 C ATOM 907 CG1 ILE A 60 2.533 9.256 6.343 1.00 1.00 C ATOM 908 CG2 ILE A 60 1.205 10.086 4.385 1.00 1.00 C ATOM 909 CD1 ILE A 60 1.595 8.078 6.638 1.00 1.00 C ATOM 0 H ILE A 60 4.792 8.345 4.987 1.00 1.00 H new ATOM 0 HA ILE A 60 2.090 7.567 4.139 1.00 1.00 H new ATOM 0 HB ILE A 60 3.329 10.309 4.640 1.00 1.00 H new ATOM 0 HG12 ILE A 60 3.538 9.025 6.695 1.00 1.00 H new ATOM 0 HG13 ILE A 60 2.199 10.139 6.888 1.00 1.00 H new ATOM 0 HG21 ILE A 60 0.965 10.992 4.941 1.00 1.00 H new ATOM 0 HG22 ILE A 60 1.238 10.313 3.319 1.00 1.00 H new ATOM 0 HG23 ILE A 60 0.441 9.332 4.572 1.00 1.00 H new ATOM 0 HD11 ILE A 60 1.585 7.881 7.710 1.00 1.00 H new ATOM 0 HD12 ILE A 60 0.587 8.323 6.305 1.00 1.00 H new ATOM 0 HD13 ILE A 60 1.946 7.192 6.109 1.00 1.00 H new ATOM 921 N ILE A 61 2.308 8.033 1.721 1.00 1.00 N ATOM 922 CA ILE A 61 2.403 8.279 0.282 1.00 1.00 C ATOM 923 C ILE A 61 1.002 8.534 -0.299 1.00 1.00 C ATOM 924 O ILE A 61 0.139 7.662 -0.206 1.00 1.00 O ATOM 925 CB ILE A 61 3.016 7.058 -0.403 1.00 1.00 C ATOM 926 CG1 ILE A 61 4.283 6.642 0.362 1.00 1.00 C ATOM 927 CG2 ILE A 61 3.367 7.416 -1.852 1.00 1.00 C ATOM 928 CD1 ILE A 61 5.086 5.626 -0.457 1.00 1.00 C ATOM 0 H ILE A 61 1.579 7.371 1.987 1.00 1.00 H new ATOM 0 HA ILE A 61 3.030 9.154 0.110 1.00 1.00 H new ATOM 0 HB ILE A 61 2.307 6.230 -0.404 1.00 1.00 H new ATOM 0 HG12 ILE A 61 4.896 7.519 0.569 1.00 1.00 H new ATOM 0 HG13 ILE A 61 4.010 6.210 1.325 1.00 1.00 H new ATOM 0 HG21 ILE A 61 3.805 6.548 -2.345 1.00 1.00 H new ATOM 0 HG22 ILE A 61 2.463 7.717 -2.382 1.00 1.00 H new ATOM 0 HG23 ILE A 61 4.083 8.238 -1.861 1.00 1.00 H new ATOM 0 HD11 ILE A 61 5.981 5.339 0.095 1.00 1.00 H new ATOM 0 HD12 ILE A 61 4.475 4.743 -0.641 1.00 1.00 H new ATOM 0 HD13 ILE A 61 5.375 6.072 -1.409 1.00 1.00 H new ATOM 940 N PRO A 62 0.738 9.689 -0.880 1.00 1.00 N ATOM 941 CA PRO A 62 -0.609 9.991 -1.448 1.00 1.00 C ATOM 942 C PRO A 62 -0.861 9.275 -2.774 1.00 1.00 C ATOM 943 O PRO A 62 0.076 8.891 -3.475 1.00 1.00 O ATOM 944 CB PRO A 62 -0.592 11.516 -1.613 1.00 1.00 C ATOM 945 CG PRO A 62 0.841 11.854 -1.864 1.00 1.00 C ATOM 946 CD PRO A 62 1.668 10.825 -1.078 1.00 1.00 C ATOM 0 HA PRO A 62 -1.417 9.642 -0.806 1.00 1.00 H new ATOM 0 HB2 PRO A 62 -1.225 11.832 -2.443 1.00 1.00 H new ATOM 0 HB3 PRO A 62 -0.966 12.015 -0.719 1.00 1.00 H new ATOM 0 HG2 PRO A 62 1.071 11.807 -2.928 1.00 1.00 H new ATOM 0 HG3 PRO A 62 1.065 12.868 -1.533 1.00 1.00 H new ATOM 0 HD2 PRO A 62 2.556 10.521 -1.632 1.00 1.00 H new ATOM 0 HD3 PRO A 62 2.009 11.231 -0.126 1.00 1.00 H new ATOM 954 N ILE A 63 -2.139 9.097 -3.107 1.00 1.00 N ATOM 955 CA ILE A 63 -2.530 8.422 -4.348 1.00 1.00 C ATOM 956 C ILE A 63 -2.966 9.439 -5.395 1.00 1.00 C ATOM 957 O ILE A 63 -3.919 10.191 -5.188 1.00 1.00 O ATOM 958 CB ILE A 63 -3.673 7.446 -4.061 1.00 1.00 C ATOM 959 CG1 ILE A 63 -3.149 6.327 -3.158 1.00 1.00 C ATOM 960 CG2 ILE A 63 -4.189 6.842 -5.371 1.00 1.00 C ATOM 961 CD1 ILE A 63 -4.317 5.493 -2.633 1.00 1.00 C ATOM 0 H ILE A 63 -2.923 9.411 -2.535 1.00 1.00 H new ATOM 0 HA ILE A 63 -1.672 7.873 -4.736 1.00 1.00 H new ATOM 0 HB ILE A 63 -4.490 7.975 -3.570 1.00 1.00 H new ATOM 0 HG12 ILE A 63 -2.459 5.693 -3.714 1.00 1.00 H new ATOM 0 HG13 ILE A 63 -2.590 6.752 -2.324 1.00 1.00 H new ATOM 0 HG21 ILE A 63 -5.002 6.149 -5.157 1.00 1.00 H new ATOM 0 HG22 ILE A 63 -4.553 7.638 -6.020 1.00 1.00 H new ATOM 0 HG23 ILE A 63 -3.380 6.309 -5.869 1.00 1.00 H new ATOM 0 HD11 ILE A 63 -3.937 4.698 -1.991 1.00 1.00 H new ATOM 0 HD12 ILE A 63 -4.991 6.131 -2.061 1.00 1.00 H new ATOM 0 HD13 ILE A 63 -4.857 5.054 -3.472 1.00 1.00 H new ATOM 973 N ASN A 64 -2.260 9.453 -6.519 1.00 1.00 N ATOM 974 CA ASN A 64 -2.572 10.380 -7.598 1.00 1.00 C ATOM 975 C ASN A 64 -1.746 10.052 -8.837 1.00 1.00 C ATOM 976 O ASN A 64 -1.241 8.941 -8.982 1.00 1.00 O ATOM 977 CB ASN A 64 -2.295 11.814 -7.144 1.00 1.00 C ATOM 978 CG ASN A 64 -0.824 11.968 -6.776 1.00 1.00 C ATOM 979 OD1 ASN A 64 -0.007 11.111 -7.110 1.00 1.00 O ATOM 980 ND2 ASN A 64 -0.440 13.013 -6.096 1.00 1.00 N ATOM 0 H ASN A 64 -1.470 8.835 -6.706 1.00 1.00 H new ATOM 0 HA ASN A 64 -3.628 10.283 -7.852 1.00 1.00 H new ATOM 0 HB2 ASN A 64 -2.555 12.513 -7.939 1.00 1.00 H new ATOM 0 HB3 ASN A 64 -2.921 12.060 -6.286 1.00 1.00 H new ATOM 0 HD21 ASN A 64 0.541 13.122 -5.839 1.00 1.00 H new ATOM 0 HD22 ASN A 64 -1.121 13.721 -5.821 1.00 1.00 H new ATOM 987 N SER A 65 -1.615 11.023 -9.732 1.00 1.00 N ATOM 988 CA SER A 65 -0.850 10.821 -10.957 1.00 1.00 C ATOM 989 C SER A 65 0.608 10.494 -10.645 1.00 1.00 C ATOM 990 O SER A 65 1.207 9.626 -11.278 1.00 1.00 O ATOM 991 CB SER A 65 -0.923 12.073 -11.828 1.00 1.00 C ATOM 992 OG SER A 65 -0.206 11.847 -13.034 1.00 1.00 O ATOM 0 H SER A 65 -2.025 11.952 -9.635 1.00 1.00 H new ATOM 0 HA SER A 65 -1.284 9.978 -11.494 1.00 1.00 H new ATOM 0 HB2 SER A 65 -1.962 12.316 -12.049 1.00 1.00 H new ATOM 0 HB3 SER A 65 -0.502 12.926 -11.295 1.00 1.00 H new ATOM 0 HG SER A 65 -0.252 12.648 -13.597 1.00 1.00 H new ATOM 998 N HIS A 66 1.176 11.199 -9.673 1.00 1.00 N ATOM 999 CA HIS A 66 2.568 10.977 -9.294 1.00 1.00 C ATOM 1000 C HIS A 66 2.758 9.574 -8.714 1.00 1.00 C ATOM 1001 O HIS A 66 3.788 8.939 -8.934 1.00 1.00 O ATOM 1002 CB HIS A 66 3.003 12.024 -8.267 1.00 1.00 C ATOM 1003 CG HIS A 66 3.095 13.371 -8.932 1.00 1.00 C ATOM 1004 ND1 HIS A 66 4.174 13.731 -9.723 1.00 1.00 N ATOM 1005 CD2 HIS A 66 2.250 14.455 -8.934 1.00 1.00 C ATOM 1006 CE1 HIS A 66 3.954 14.984 -10.164 1.00 1.00 C ATOM 1007 NE2 HIS A 66 2.795 15.471 -9.713 1.00 1.00 N ATOM 0 H HIS A 66 0.699 11.924 -9.136 1.00 1.00 H new ATOM 0 HA HIS A 66 3.184 11.068 -10.188 1.00 1.00 H new ATOM 0 HB2 HIS A 66 2.289 12.061 -7.444 1.00 1.00 H new ATOM 0 HB3 HIS A 66 3.968 11.751 -7.840 1.00 1.00 H new ATOM 0 HD2 HIS A 66 1.307 14.510 -8.411 1.00 1.00 H new ATOM 0 HE1 HIS A 66 4.632 15.529 -10.804 1.00 1.00 H new ATOM 0 HE2 HIS A 66 2.395 16.391 -9.900 1.00 1.00 H new ATOM 1015 N PHE A 67 1.757 9.097 -7.972 1.00 1.00 N ATOM 1016 CA PHE A 67 1.820 7.766 -7.363 1.00 1.00 C ATOM 1017 C PHE A 67 1.133 6.737 -8.258 1.00 1.00 C ATOM 1018 O PHE A 67 0.052 6.983 -8.791 1.00 1.00 O ATOM 1019 CB PHE A 67 1.141 7.791 -5.983 1.00 1.00 C ATOM 1020 CG PHE A 67 0.876 6.378 -5.498 1.00 1.00 C ATOM 1021 CD1 PHE A 67 1.840 5.688 -4.754 1.00 1.00 C ATOM 1022 CD2 PHE A 67 -0.343 5.760 -5.802 1.00 1.00 C ATOM 1023 CE1 PHE A 67 1.581 4.382 -4.315 1.00 1.00 C ATOM 1024 CE2 PHE A 67 -0.600 4.458 -5.364 1.00 1.00 C ATOM 1025 CZ PHE A 67 0.361 3.769 -4.619 1.00 1.00 C ATOM 0 H PHE A 67 0.896 9.609 -7.778 1.00 1.00 H new ATOM 0 HA PHE A 67 2.867 7.485 -7.246 1.00 1.00 H new ATOM 0 HB2 PHE A 67 1.775 8.315 -5.268 1.00 1.00 H new ATOM 0 HB3 PHE A 67 0.203 8.344 -6.042 1.00 1.00 H new ATOM 0 HD1 PHE A 67 2.782 6.161 -4.518 1.00 1.00 H new ATOM 0 HD2 PHE A 67 -1.087 6.291 -6.377 1.00 1.00 H new ATOM 0 HE1 PHE A 67 2.324 3.848 -3.741 1.00 1.00 H new ATOM 0 HE2 PHE A 67 -1.541 3.984 -5.601 1.00 1.00 H new ATOM 0 HZ PHE A 67 0.162 2.764 -4.278 1.00 1.00 H new ATOM 1035 N ARG A 68 1.763 5.575 -8.406 1.00 1.00 N ATOM 1036 CA ARG A 68 1.201 4.502 -9.223 1.00 1.00 C ATOM 1037 C ARG A 68 1.490 3.140 -8.605 1.00 1.00 C ATOM 1038 O ARG A 68 2.543 2.925 -8.005 1.00 1.00 O ATOM 1039 CB ARG A 68 1.774 4.558 -10.640 1.00 1.00 C ATOM 1040 CG ARG A 68 3.296 4.435 -10.595 1.00 1.00 C ATOM 1041 CD ARG A 68 3.838 4.424 -12.023 1.00 1.00 C ATOM 1042 NE ARG A 68 5.293 4.368 -12.009 1.00 1.00 N ATOM 1043 CZ ARG A 68 5.987 4.208 -13.129 1.00 1.00 C ATOM 1044 NH1 ARG A 68 5.366 4.055 -14.269 1.00 1.00 N ATOM 1045 NH2 ARG A 68 7.289 4.198 -13.086 1.00 1.00 N ATOM 0 H ARG A 68 2.659 5.352 -7.973 1.00 1.00 H new ATOM 0 HA ARG A 68 0.121 4.642 -9.267 1.00 1.00 H new ATOM 0 HB2 ARG A 68 1.354 3.753 -11.243 1.00 1.00 H new ATOM 0 HB3 ARG A 68 1.491 5.496 -11.119 1.00 1.00 H new ATOM 0 HG2 ARG A 68 3.724 5.267 -10.036 1.00 1.00 H new ATOM 0 HG3 ARG A 68 3.584 3.521 -10.076 1.00 1.00 H new ATOM 0 HD2 ARG A 68 3.439 3.566 -12.564 1.00 1.00 H new ATOM 0 HD3 ARG A 68 3.506 5.317 -12.552 1.00 1.00 H new ATOM 0 HE ARG A 68 5.788 4.453 -11.121 1.00 1.00 H new ATOM 0 HH11 ARG A 68 4.346 4.058 -14.299 1.00 1.00 H new ATOM 0 HH12 ARG A 68 5.901 3.932 -15.129 1.00 1.00 H new ATOM 0 HH21 ARG A 68 7.771 4.313 -12.194 1.00 1.00 H new ATOM 0 HH22 ARG A 68 7.827 4.075 -13.944 1.00 1.00 H new ATOM 1059 N CYS A 69 0.544 2.219 -8.774 1.00 1.00 N ATOM 1060 CA CYS A 69 0.683 0.861 -8.250 1.00 1.00 C ATOM 1061 C CYS A 69 0.698 -0.127 -9.406 1.00 1.00 C ATOM 1062 O CYS A 69 -0.348 -0.480 -9.951 1.00 1.00 O ATOM 1063 CB CYS A 69 -0.487 0.547 -7.312 1.00 1.00 C ATOM 1064 SG CYS A 69 -2.049 0.676 -8.219 1.00 1.00 S ATOM 0 H CYS A 69 -0.330 2.389 -9.271 1.00 1.00 H new ATOM 0 HA CYS A 69 1.617 0.780 -7.693 1.00 1.00 H new ATOM 0 HB2 CYS A 69 -0.376 -0.456 -6.900 1.00 1.00 H new ATOM 0 HB3 CYS A 69 -0.486 1.239 -6.470 1.00 1.00 H new ATOM 0 HG CYS A 69 -2.492 1.896 -8.149 1.00 1.00 H new ATOM 1070 N VAL A 70 1.894 -0.566 -9.789 1.00 1.00 N ATOM 1071 CA VAL A 70 2.035 -1.504 -10.904 1.00 1.00 C ATOM 1072 C VAL A 70 2.292 -2.916 -10.399 1.00 1.00 C ATOM 1073 O VAL A 70 3.232 -3.158 -9.646 1.00 1.00 O ATOM 1074 CB VAL A 70 3.194 -1.063 -11.803 1.00 1.00 C ATOM 1075 CG1 VAL A 70 2.916 0.344 -12.335 1.00 1.00 C ATOM 1076 CG2 VAL A 70 4.501 -1.057 -10.997 1.00 1.00 C ATOM 0 H VAL A 70 2.773 -0.292 -9.350 1.00 1.00 H new ATOM 0 HA VAL A 70 1.105 -1.505 -11.472 1.00 1.00 H new ATOM 0 HB VAL A 70 3.289 -1.758 -12.638 1.00 1.00 H new ATOM 0 HG11 VAL A 70 3.740 0.660 -12.975 1.00 1.00 H new ATOM 0 HG12 VAL A 70 1.990 0.339 -12.910 1.00 1.00 H new ATOM 0 HG13 VAL A 70 2.820 1.037 -11.499 1.00 1.00 H new ATOM 0 HG21 VAL A 70 5.323 -0.743 -11.640 1.00 1.00 H new ATOM 0 HG22 VAL A 70 4.409 -0.364 -10.160 1.00 1.00 H new ATOM 0 HG23 VAL A 70 4.699 -2.060 -10.618 1.00 1.00 H new ATOM 1086 N GLN A 71 1.440 -3.843 -10.824 1.00 1.00 N ATOM 1087 CA GLN A 71 1.562 -5.240 -10.420 1.00 1.00 C ATOM 1088 C GLN A 71 2.577 -5.961 -11.301 1.00 1.00 C ATOM 1089 O GLN A 71 2.266 -6.350 -12.426 1.00 1.00 O ATOM 1090 CB GLN A 71 0.201 -5.929 -10.543 1.00 1.00 C ATOM 1091 CG GLN A 71 0.256 -7.307 -9.883 1.00 1.00 C ATOM 1092 CD GLN A 71 0.291 -7.153 -8.371 1.00 1.00 C ATOM 1093 OE1 GLN A 71 1.185 -7.679 -7.712 1.00 1.00 O ATOM 1094 NE2 GLN A 71 -0.636 -6.457 -7.776 1.00 1.00 N ATOM 0 H GLN A 71 0.657 -3.652 -11.449 1.00 1.00 H new ATOM 0 HA GLN A 71 1.902 -5.278 -9.385 1.00 1.00 H new ATOM 0 HB2 GLN A 71 -0.569 -5.320 -10.070 1.00 1.00 H new ATOM 0 HB3 GLN A 71 -0.072 -6.029 -11.593 1.00 1.00 H new ATOM 0 HG2 GLN A 71 -0.612 -7.896 -10.178 1.00 1.00 H new ATOM 0 HG3 GLN A 71 1.139 -7.848 -10.223 1.00 1.00 H new ATOM 0 HE21 GLN A 71 -1.377 -6.021 -8.324 1.00 1.00 H new ATOM 0 HE22 GLN A 71 -0.620 -6.348 -6.762 1.00 1.00 H new ATOM 1103 N GLU A 72 3.788 -6.138 -10.779 1.00 1.00 N ATOM 1104 CA GLU A 72 4.855 -6.816 -11.512 1.00 1.00 C ATOM 1105 C GLU A 72 5.258 -6.046 -12.768 1.00 1.00 C ATOM 1106 O GLU A 72 6.389 -6.155 -13.242 1.00 1.00 O ATOM 1107 CB GLU A 72 4.411 -8.235 -11.882 1.00 1.00 C ATOM 1108 CG GLU A 72 5.618 -9.045 -12.354 1.00 1.00 C ATOM 1109 CD GLU A 72 6.532 -9.352 -11.173 1.00 1.00 C ATOM 1110 OE1 GLU A 72 6.138 -9.062 -10.055 1.00 1.00 O ATOM 1111 OE2 GLU A 72 7.610 -9.873 -11.402 1.00 1.00 O ATOM 0 H GLU A 72 4.056 -5.820 -9.848 1.00 1.00 H new ATOM 0 HA GLU A 72 5.729 -6.865 -10.862 1.00 1.00 H new ATOM 0 HB2 GLU A 72 3.950 -8.719 -11.021 1.00 1.00 H new ATOM 0 HB3 GLU A 72 3.656 -8.197 -12.668 1.00 1.00 H new ATOM 0 HG2 GLU A 72 5.285 -9.973 -12.818 1.00 1.00 H new ATOM 0 HG3 GLU A 72 6.166 -8.488 -13.114 1.00 1.00 H new ATOM 1229 N ASP A 80 -5.273 -5.170 -12.501 1.00 1.00 N ATOM 1230 CA ASP A 80 -4.567 -5.529 -11.269 1.00 1.00 C ATOM 1231 C ASP A 80 -5.178 -6.785 -10.653 1.00 1.00 C ATOM 1232 O ASP A 80 -4.465 -7.652 -10.148 1.00 1.00 O ATOM 1233 CB ASP A 80 -4.651 -4.377 -10.263 1.00 1.00 C ATOM 1234 CG ASP A 80 -3.747 -3.230 -10.700 1.00 1.00 C ATOM 1235 OD1 ASP A 80 -2.892 -3.460 -11.539 1.00 1.00 O ATOM 1236 OD2 ASP A 80 -3.922 -2.137 -10.186 1.00 1.00 O ATOM 0 HA ASP A 80 -3.523 -5.723 -11.513 1.00 1.00 H new ATOM 0 HB2 ASP A 80 -5.681 -4.028 -10.183 1.00 1.00 H new ATOM 0 HB3 ASP A 80 -4.355 -4.726 -9.274 1.00 1.00 H new ATOM 1241 N ILE A 81 -6.502 -6.871 -10.702 1.00 1.00 N ATOM 1242 CA ILE A 81 -7.212 -8.018 -10.148 1.00 1.00 C ATOM 1243 C ILE A 81 -6.847 -9.294 -10.903 1.00 1.00 C ATOM 1244 O ILE A 81 -6.646 -10.348 -10.300 1.00 1.00 O ATOM 1245 CB ILE A 81 -8.723 -7.779 -10.221 1.00 1.00 C ATOM 1246 CG1 ILE A 81 -9.099 -6.650 -9.259 1.00 1.00 C ATOM 1247 CG2 ILE A 81 -9.473 -9.055 -9.827 1.00 1.00 C ATOM 1248 CD1 ILE A 81 -10.542 -6.211 -9.520 1.00 1.00 C ATOM 0 H ILE A 81 -7.105 -6.162 -11.119 1.00 1.00 H new ATOM 0 HA ILE A 81 -6.917 -8.139 -9.106 1.00 1.00 H new ATOM 0 HB ILE A 81 -8.997 -7.505 -11.240 1.00 1.00 H new ATOM 0 HG12 ILE A 81 -8.992 -6.987 -8.228 1.00 1.00 H new ATOM 0 HG13 ILE A 81 -8.422 -5.806 -9.391 1.00 1.00 H new ATOM 0 HG21 ILE A 81 -10.547 -8.877 -9.881 1.00 1.00 H new ATOM 0 HG22 ILE A 81 -9.204 -9.861 -10.510 1.00 1.00 H new ATOM 0 HG23 ILE A 81 -9.203 -9.336 -8.809 1.00 1.00 H new ATOM 0 HD11 ILE A 81 -10.807 -5.407 -8.834 1.00 1.00 H new ATOM 0 HD12 ILE A 81 -10.635 -5.857 -10.547 1.00 1.00 H new ATOM 0 HD13 ILE A 81 -11.213 -7.056 -9.366 1.00 1.00 H new ATOM 1260 N ALA A 82 -6.778 -9.192 -12.224 1.00 1.00 N ATOM 1261 CA ALA A 82 -6.451 -10.342 -13.059 1.00 1.00 C ATOM 1262 C ALA A 82 -5.185 -11.037 -12.563 1.00 1.00 C ATOM 1263 O ALA A 82 -4.984 -12.225 -12.813 1.00 1.00 O ATOM 1264 CB ALA A 82 -6.247 -9.887 -14.506 1.00 1.00 C ATOM 0 H ALA A 82 -6.943 -8.328 -12.740 1.00 1.00 H new ATOM 0 HA ALA A 82 -7.279 -11.049 -13.005 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -6.003 -10.749 -15.127 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -7.162 -9.422 -14.874 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -5.431 -9.166 -14.549 1.00 1.00 H new ATOM 1270 N SER A 83 -4.332 -10.293 -11.857 1.00 1.00 N ATOM 1271 CA SER A 83 -3.084 -10.848 -11.327 1.00 1.00 C ATOM 1272 C SER A 83 -3.179 -11.034 -9.819 1.00 1.00 C ATOM 1273 O SER A 83 -2.653 -10.235 -9.046 1.00 1.00 O ATOM 1274 CB SER A 83 -1.921 -9.914 -11.649 1.00 1.00 C ATOM 1275 OG SER A 83 -0.828 -10.211 -10.789 1.00 1.00 O ATOM 0 H SER A 83 -4.481 -9.308 -11.639 1.00 1.00 H new ATOM 0 HA SER A 83 -2.914 -11.818 -11.794 1.00 1.00 H new ATOM 0 HB2 SER A 83 -1.622 -10.033 -12.690 1.00 1.00 H new ATOM 0 HB3 SER A 83 -2.227 -8.876 -11.522 1.00 1.00 H new ATOM 0 HG SER A 83 -1.050 -9.943 -9.873 1.00 1.00 H new ATOM 1281 N ASN A 84 -3.857 -12.102 -9.412 1.00 1.00 N ATOM 1282 CA ASN A 84 -4.034 -12.414 -7.995 1.00 1.00 C ATOM 1283 C ASN A 84 -3.125 -13.568 -7.588 1.00 1.00 C ATOM 1284 O ASN A 84 -2.252 -13.981 -8.352 1.00 1.00 O ATOM 1285 CB ASN A 84 -5.490 -12.792 -7.732 1.00 1.00 C ATOM 1286 CG ASN A 84 -6.398 -11.588 -7.966 1.00 1.00 C ATOM 1287 OD1 ASN A 84 -7.581 -11.753 -8.264 1.00 1.00 O ATOM 1288 ND2 ASN A 84 -5.917 -10.380 -7.846 1.00 1.00 N ATOM 0 H ASN A 84 -4.296 -12.770 -10.046 1.00 1.00 H new ATOM 0 HA ASN A 84 -3.772 -11.535 -7.406 1.00 1.00 H new ATOM 0 HB2 ASN A 84 -5.785 -13.612 -8.387 1.00 1.00 H new ATOM 0 HB3 ASN A 84 -5.602 -13.147 -6.708 1.00 1.00 H new ATOM 0 HD21 ASN A 84 -6.521 -9.573 -7.999 1.00 1.00 H new ATOM 0 HD22 ASN A 84 -4.937 -10.244 -7.599 1.00 1.00 H new ATOM 1295 N SER A 85 -3.328 -14.081 -6.380 1.00 1.00 N ATOM 1296 CA SER A 85 -2.511 -15.184 -5.889 1.00 1.00 C ATOM 1297 C SER A 85 -1.063 -14.732 -5.741 1.00 1.00 C ATOM 1298 O SER A 85 -0.268 -14.853 -6.675 1.00 1.00 O ATOM 1299 CB SER A 85 -2.596 -16.367 -6.861 1.00 1.00 C ATOM 1300 OG SER A 85 -3.919 -16.465 -7.373 1.00 1.00 O ATOM 0 H SER A 85 -4.043 -13.755 -5.729 1.00 1.00 H new ATOM 0 HA SER A 85 -2.884 -15.498 -4.914 1.00 1.00 H new ATOM 0 HB2 SER A 85 -1.887 -16.232 -7.678 1.00 1.00 H new ATOM 0 HB3 SER A 85 -2.322 -17.291 -6.351 1.00 1.00 H new ATOM 0 HG SER A 85 -3.974 -17.220 -7.995 1.00 1.00 H new ATOM 1306 N GLY A 86 -0.728 -14.190 -4.575 1.00 1.00 N ATOM 1307 CA GLY A 86 0.628 -13.703 -4.342 1.00 1.00 C ATOM 1308 C GLY A 86 0.952 -12.598 -5.341 1.00 1.00 C ATOM 1309 O GLY A 86 1.542 -12.851 -6.391 1.00 1.00 O ATOM 0 H GLY A 86 -1.366 -14.077 -3.787 1.00 1.00 H new ATOM 0 HA2 GLY A 86 0.720 -13.325 -3.324 1.00 1.00 H new ATOM 0 HA3 GLY A 86 1.342 -14.521 -4.444 1.00 1.00 H new ATOM 1313 N CYS A 87 0.521 -11.376 -5.026 1.00 1.00 N ATOM 1314 CA CYS A 87 0.726 -10.234 -5.924 1.00 1.00 C ATOM 1315 C CYS A 87 1.923 -9.377 -5.493 1.00 1.00 C ATOM 1316 O CYS A 87 2.060 -9.033 -4.319 1.00 1.00 O ATOM 1317 CB CYS A 87 -0.554 -9.354 -5.940 1.00 1.00 C ATOM 1318 SG CYS A 87 -1.952 -10.267 -5.228 1.00 1.00 S ATOM 0 H CYS A 87 0.030 -11.150 -4.161 1.00 1.00 H new ATOM 0 HA CYS A 87 0.933 -10.625 -6.920 1.00 1.00 H new ATOM 0 HB2 CYS A 87 -0.382 -8.439 -5.374 1.00 1.00 H new ATOM 0 HB3 CYS A 87 -0.787 -9.057 -6.963 1.00 1.00 H new ATOM 1323 N LYS A 88 2.754 -8.995 -6.466 1.00 1.00 N ATOM 1324 CA LYS A 88 3.903 -8.131 -6.206 1.00 1.00 C ATOM 1325 C LYS A 88 3.653 -6.780 -6.858 1.00 1.00 C ATOM 1326 O LYS A 88 3.325 -6.716 -8.043 1.00 1.00 O ATOM 1327 CB LYS A 88 5.177 -8.729 -6.801 1.00 1.00 C ATOM 1328 CG LYS A 88 5.526 -10.040 -6.096 1.00 1.00 C ATOM 1329 CD LYS A 88 6.771 -10.633 -6.755 1.00 1.00 C ATOM 1330 CE LYS A 88 7.212 -11.890 -6.004 1.00 1.00 C ATOM 1331 NZ LYS A 88 6.159 -12.940 -6.121 1.00 1.00 N ATOM 0 H LYS A 88 2.650 -9.272 -7.442 1.00 1.00 H new ATOM 0 HA LYS A 88 4.030 -8.029 -5.128 1.00 1.00 H new ATOM 0 HB2 LYS A 88 5.040 -8.907 -7.868 1.00 1.00 H new ATOM 0 HB3 LYS A 88 6.001 -8.023 -6.699 1.00 1.00 H new ATOM 0 HG2 LYS A 88 5.707 -9.863 -5.036 1.00 1.00 H new ATOM 0 HG3 LYS A 88 4.693 -10.739 -6.164 1.00 1.00 H new ATOM 0 HD2 LYS A 88 6.560 -10.877 -7.796 1.00 1.00 H new ATOM 0 HD3 LYS A 88 7.577 -9.899 -6.756 1.00 1.00 H new ATOM 0 HE2 LYS A 88 8.153 -12.258 -6.412 1.00 1.00 H new ATOM 0 HE3 LYS A 88 7.390 -11.655 -4.955 1.00 1.00 H new ATOM 0 HZ1 LYS A 88 5.700 -13.076 -5.198 1.00 1.00 H new ATOM 0 HZ2 LYS A 88 5.449 -12.643 -6.820 1.00 1.00 H new ATOM 0 HZ3 LYS A 88 6.593 -13.834 -6.426 1.00 1.00 H new ATOM 1345 N ILE A 89 3.808 -5.700 -6.094 1.00 1.00 N ATOM 1346 CA ILE A 89 3.596 -4.353 -6.630 1.00 1.00 C ATOM 1347 C ILE A 89 4.832 -3.504 -6.394 1.00 1.00 C ATOM 1348 O ILE A 89 5.629 -3.786 -5.499 1.00 1.00 O ATOM 1349 CB ILE A 89 2.378 -3.691 -5.971 1.00 1.00 C ATOM 1350 CG1 ILE A 89 2.626 -3.500 -4.466 1.00 1.00 C ATOM 1351 CG2 ILE A 89 1.144 -4.575 -6.174 1.00 1.00 C ATOM 1352 CD1 ILE A 89 1.434 -2.797 -3.797 1.00 1.00 C ATOM 0 H ILE A 89 4.077 -5.728 -5.111 1.00 1.00 H new ATOM 0 HA ILE A 89 3.410 -4.433 -7.701 1.00 1.00 H new ATOM 0 HB ILE A 89 2.214 -2.716 -6.431 1.00 1.00 H new ATOM 0 HG12 ILE A 89 2.792 -4.469 -3.995 1.00 1.00 H new ATOM 0 HG13 ILE A 89 3.531 -2.912 -4.315 1.00 1.00 H new ATOM 0 HG21 ILE A 89 0.279 -4.105 -5.706 1.00 1.00 H new ATOM 0 HG22 ILE A 89 0.957 -4.699 -7.241 1.00 1.00 H new ATOM 0 HG23 ILE A 89 1.317 -5.551 -5.720 1.00 1.00 H new ATOM 0 HD11 ILE A 89 1.635 -2.674 -2.733 1.00 1.00 H new ATOM 0 HD12 ILE A 89 1.286 -1.819 -4.254 1.00 1.00 H new ATOM 0 HD13 ILE A 89 0.535 -3.399 -3.929 1.00 1.00 H new ATOM 1364 N ARG A 90 4.985 -2.459 -7.197 1.00 1.00 N ATOM 1365 CA ARG A 90 6.126 -1.556 -7.068 1.00 1.00 C ATOM 1366 C ARG A 90 5.650 -0.111 -7.083 1.00 1.00 C ATOM 1367 O ARG A 90 4.820 0.272 -7.906 1.00 1.00 O ATOM 1368 CB ARG A 90 7.115 -1.786 -8.217 1.00 1.00 C ATOM 1369 CG ARG A 90 7.572 -3.267 -8.243 1.00 1.00 C ATOM 1370 CD ARG A 90 6.747 -4.059 -9.265 1.00 1.00 C ATOM 1371 NE ARG A 90 7.041 -3.580 -10.612 1.00 1.00 N ATOM 1372 CZ ARG A 90 8.090 -4.038 -11.288 1.00 1.00 C ATOM 1373 NH1 ARG A 90 8.846 -4.961 -10.762 1.00 1.00 N ATOM 1374 NH2 ARG A 90 8.364 -3.563 -12.472 1.00 1.00 N ATOM 0 H ARG A 90 4.335 -2.214 -7.944 1.00 1.00 H new ATOM 0 HA ARG A 90 6.627 -1.759 -6.122 1.00 1.00 H new ATOM 0 HB2 ARG A 90 6.647 -1.526 -9.166 1.00 1.00 H new ATOM 0 HB3 ARG A 90 7.980 -1.133 -8.098 1.00 1.00 H new ATOM 0 HG2 ARG A 90 8.630 -3.324 -8.497 1.00 1.00 H new ATOM 0 HG3 ARG A 90 7.458 -3.708 -7.253 1.00 1.00 H new ATOM 0 HD2 ARG A 90 6.978 -5.121 -9.188 1.00 1.00 H new ATOM 0 HD3 ARG A 90 5.684 -3.948 -9.053 1.00 1.00 H new ATOM 0 HE ARG A 90 6.432 -2.883 -11.041 1.00 1.00 H new ATOM 0 HH11 ARG A 90 8.632 -5.329 -9.835 1.00 1.00 H new ATOM 0 HH12 ARG A 90 9.652 -5.315 -11.277 1.00 1.00 H new ATOM 0 HH21 ARG A 90 7.773 -2.839 -12.880 1.00 1.00 H new ATOM 0 HH22 ARG A 90 9.169 -3.916 -12.989 1.00 1.00 H new ATOM 1388 N VAL A 91 6.180 0.687 -6.160 1.00 1.00 N ATOM 1389 CA VAL A 91 5.809 2.100 -6.054 1.00 1.00 C ATOM 1390 C VAL A 91 6.990 2.988 -6.428 1.00 1.00 C ATOM 1391 O VAL A 91 8.111 2.775 -5.966 1.00 1.00 O ATOM 1392 CB VAL A 91 5.372 2.410 -4.622 1.00 1.00 C ATOM 1393 CG1 VAL A 91 4.977 3.887 -4.500 1.00 1.00 C ATOM 1394 CG2 VAL A 91 4.176 1.524 -4.253 1.00 1.00 C ATOM 0 H VAL A 91 6.869 0.381 -5.473 1.00 1.00 H new ATOM 0 HA VAL A 91 4.986 2.299 -6.740 1.00 1.00 H new ATOM 0 HB VAL A 91 6.200 2.209 -3.943 1.00 1.00 H new ATOM 0 HG11 VAL A 91 4.667 4.097 -3.476 1.00 1.00 H new ATOM 0 HG12 VAL A 91 5.830 4.514 -4.757 1.00 1.00 H new ATOM 0 HG13 VAL A 91 4.152 4.100 -5.180 1.00 1.00 H new ATOM 0 HG21 VAL A 91 3.862 1.743 -3.232 1.00 1.00 H new ATOM 0 HG22 VAL A 91 3.351 1.723 -4.937 1.00 1.00 H new ATOM 0 HG23 VAL A 91 4.464 0.475 -4.327 1.00 1.00 H new ATOM 1404 N GLN A 92 6.726 3.984 -7.270 1.00 1.00 N ATOM 1405 CA GLN A 92 7.763 4.915 -7.714 1.00 1.00 C ATOM 1406 C GLN A 92 7.238 6.344 -7.662 1.00 1.00 C ATOM 1407 O GLN A 92 6.033 6.577 -7.781 1.00 1.00 O ATOM 1408 CB GLN A 92 8.180 4.582 -9.148 1.00 1.00 C ATOM 1409 CG GLN A 92 8.850 3.207 -9.179 1.00 1.00 C ATOM 1410 CD GLN A 92 9.242 2.851 -10.611 1.00 1.00 C ATOM 1411 OE1 GLN A 92 9.140 3.688 -11.509 1.00 1.00 O ATOM 1412 NE2 GLN A 92 9.677 1.651 -10.881 1.00 1.00 N ATOM 0 H GLN A 92 5.802 4.168 -7.660 1.00 1.00 H new ATOM 0 HA GLN A 92 8.625 4.822 -7.053 1.00 1.00 H new ATOM 0 HB2 GLN A 92 7.308 4.588 -9.802 1.00 1.00 H new ATOM 0 HB3 GLN A 92 8.866 5.341 -9.524 1.00 1.00 H new ATOM 0 HG2 GLN A 92 9.734 3.209 -8.541 1.00 1.00 H new ATOM 0 HG3 GLN A 92 8.171 2.453 -8.781 1.00 1.00 H new ATOM 0 HE21 GLN A 92 9.761 0.959 -10.136 1.00 1.00 H new ATOM 0 HE22 GLN A 92 9.933 1.405 -11.837 1.00 1.00 H new ATOM 1421 N GLY A 93 8.144 7.296 -7.485 1.00 1.00 N ATOM 1422 CA GLY A 93 7.760 8.699 -7.419 1.00 1.00 C ATOM 1423 C GLY A 93 8.987 9.597 -7.507 1.00 1.00 C ATOM 1424 O GLY A 93 10.117 9.130 -7.396 1.00 1.00 O ATOM 0 H GLY A 93 9.144 7.124 -7.385 1.00 1.00 H new ATOM 0 HA2 GLY A 93 7.073 8.932 -8.233 1.00 1.00 H new ATOM 0 HA3 GLY A 93 7.228 8.892 -6.488 1.00 1.00 H new ATOM 1483 N ARG A 97 12.191 6.623 -4.177 1.00 1.00 N ATOM 1484 CA ARG A 97 12.928 5.770 -5.113 1.00 1.00 C ATOM 1485 C ARG A 97 12.188 4.456 -5.345 1.00 1.00 C ATOM 1486 O ARG A 97 11.052 4.288 -4.902 1.00 1.00 O ATOM 1487 CB ARG A 97 14.323 5.474 -4.562 1.00 1.00 C ATOM 1488 CG ARG A 97 15.118 6.776 -4.457 1.00 1.00 C ATOM 1489 CD ARG A 97 16.520 6.468 -3.935 1.00 1.00 C ATOM 1490 NE ARG A 97 16.436 5.936 -2.577 1.00 1.00 N ATOM 1491 CZ ARG A 97 16.381 6.742 -1.521 1.00 1.00 C ATOM 1492 NH1 ARG A 97 16.464 8.034 -1.681 1.00 1.00 N ATOM 1493 NH2 ARG A 97 16.251 6.240 -0.325 1.00 1.00 N ATOM 0 HA ARG A 97 13.013 6.299 -6.062 1.00 1.00 H new ATOM 0 HB2 ARG A 97 14.246 5.003 -3.582 1.00 1.00 H new ATOM 0 HB3 ARG A 97 14.841 4.771 -5.214 1.00 1.00 H new ATOM 0 HG2 ARG A 97 15.178 7.259 -5.432 1.00 1.00 H new ATOM 0 HG3 ARG A 97 14.612 7.472 -3.787 1.00 1.00 H new ATOM 0 HD2 ARG A 97 17.011 5.747 -4.588 1.00 1.00 H new ATOM 0 HD3 ARG A 97 17.128 7.372 -3.944 1.00 1.00 H new ATOM 0 HE ARG A 97 16.419 4.926 -2.436 1.00 1.00 H new ATOM 0 HH11 ARG A 97 16.571 8.426 -2.616 1.00 1.00 H new ATOM 0 HH12 ARG A 97 16.422 8.652 -0.871 1.00 1.00 H new ATOM 0 HH21 ARG A 97 16.192 5.229 -0.200 1.00 1.00 H new ATOM 0 HH22 ARG A 97 16.209 6.858 0.486 1.00 1.00 H new ATOM 1507 N GLU A 98 12.837 3.530 -6.044 1.00 1.00 N ATOM 1508 CA GLU A 98 12.227 2.238 -6.332 1.00 1.00 C ATOM 1509 C GLU A 98 11.912 1.493 -5.035 1.00 1.00 C ATOM 1510 O GLU A 98 12.774 1.324 -4.173 1.00 1.00 O ATOM 1511 CB GLU A 98 13.173 1.393 -7.200 1.00 1.00 C ATOM 1512 CG GLU A 98 12.474 0.100 -7.637 1.00 1.00 C ATOM 1513 CD GLU A 98 11.366 0.409 -8.638 1.00 1.00 C ATOM 1514 OE1 GLU A 98 11.283 1.546 -9.067 1.00 1.00 O ATOM 1515 OE2 GLU A 98 10.616 -0.499 -8.960 1.00 1.00 O ATOM 0 H GLU A 98 13.778 3.649 -6.419 1.00 1.00 H new ATOM 0 HA GLU A 98 11.296 2.407 -6.873 1.00 1.00 H new ATOM 0 HB2 GLU A 98 13.481 1.963 -8.076 1.00 1.00 H new ATOM 0 HB3 GLU A 98 14.078 1.155 -6.640 1.00 1.00 H new ATOM 0 HG2 GLU A 98 13.199 -0.580 -8.085 1.00 1.00 H new ATOM 0 HG3 GLU A 98 12.056 -0.407 -6.767 1.00 1.00 H new ATOM 1522 N ARG A 99 10.664 1.040 -4.922 1.00 1.00 N ATOM 1523 CA ARG A 99 10.208 0.292 -3.750 1.00 1.00 C ATOM 1524 C ARG A 99 9.391 -0.914 -4.215 1.00 1.00 C ATOM 1525 O ARG A 99 8.667 -0.829 -5.207 1.00 1.00 O ATOM 1526 CB ARG A 99 9.341 1.191 -2.858 1.00 1.00 C ATOM 1527 CG ARG A 99 10.203 2.296 -2.235 1.00 1.00 C ATOM 1528 CD ARG A 99 9.316 3.223 -1.400 1.00 1.00 C ATOM 1529 NE ARG A 99 10.113 4.279 -0.784 1.00 1.00 N ATOM 1530 CZ ARG A 99 9.537 5.260 -0.099 1.00 1.00 C ATOM 1531 NH1 ARG A 99 8.239 5.294 0.028 1.00 1.00 N ATOM 1532 NH2 ARG A 99 10.268 6.193 0.448 1.00 1.00 N ATOM 0 H ARG A 99 9.946 1.179 -5.633 1.00 1.00 H new ATOM 0 HA ARG A 99 11.071 -0.046 -3.176 1.00 1.00 H new ATOM 0 HB2 ARG A 99 8.536 1.633 -3.445 1.00 1.00 H new ATOM 0 HB3 ARG A 99 8.873 0.597 -2.073 1.00 1.00 H new ATOM 0 HG2 ARG A 99 10.980 1.857 -1.609 1.00 1.00 H new ATOM 0 HG3 ARG A 99 10.707 2.864 -3.017 1.00 1.00 H new ATOM 0 HD2 ARG A 99 8.545 3.664 -2.032 1.00 1.00 H new ATOM 0 HD3 ARG A 99 8.805 2.648 -0.628 1.00 1.00 H new ATOM 0 HE ARG A 99 11.128 4.263 -0.881 1.00 1.00 H new ATOM 0 HH11 ARG A 99 7.666 4.567 -0.399 1.00 1.00 H new ATOM 0 HH12 ARG A 99 7.798 6.048 0.554 1.00 1.00 H new ATOM 0 HH21 ARG A 99 11.283 6.169 0.349 1.00 1.00 H new ATOM 0 HH22 ARG A 99 9.824 6.946 0.974 1.00 1.00 H new ATOM 1546 N ARG A 100 9.518 -2.041 -3.512 1.00 1.00 N ATOM 1547 CA ARG A 100 8.791 -3.263 -3.884 1.00 1.00 C ATOM 1548 C ARG A 100 8.009 -3.820 -2.701 1.00 1.00 C ATOM 1549 O ARG A 100 8.448 -3.724 -1.555 1.00 1.00 O ATOM 1550 CB ARG A 100 9.777 -4.316 -4.379 1.00 1.00 C ATOM 1551 CG ARG A 100 10.420 -3.825 -5.673 1.00 1.00 C ATOM 1552 CD ARG A 100 11.478 -4.826 -6.125 1.00 1.00 C ATOM 1553 NE ARG A 100 10.851 -6.091 -6.487 1.00 1.00 N ATOM 1554 CZ ARG A 100 11.574 -7.104 -6.948 1.00 1.00 C ATOM 1555 NH1 ARG A 100 12.839 -6.928 -7.218 1.00 1.00 N ATOM 1556 NH2 ARG A 100 11.013 -8.263 -7.158 1.00 1.00 N ATOM 0 H ARG A 100 10.112 -2.136 -2.688 1.00 1.00 H new ATOM 0 HA ARG A 100 8.086 -3.011 -4.676 1.00 1.00 H new ATOM 0 HB2 ARG A 100 10.542 -4.500 -3.625 1.00 1.00 H new ATOM 0 HB3 ARG A 100 9.263 -5.262 -4.549 1.00 1.00 H new ATOM 0 HG2 ARG A 100 9.661 -3.707 -6.447 1.00 1.00 H new ATOM 0 HG3 ARG A 100 10.873 -2.846 -5.518 1.00 1.00 H new ATOM 0 HD2 ARG A 100 12.027 -4.426 -6.978 1.00 1.00 H new ATOM 0 HD3 ARG A 100 12.203 -4.986 -5.327 1.00 1.00 H new ATOM 0 HE ARG A 100 9.842 -6.199 -6.385 1.00 1.00 H new ATOM 0 HH11 ARG A 100 13.269 -6.014 -7.074 1.00 1.00 H new ATOM 0 HH12 ARG A 100 13.398 -7.704 -7.572 1.00 1.00 H new ATOM 0 HH21 ARG A 100 10.019 -8.390 -6.968 1.00 1.00 H new ATOM 0 HH22 ARG A 100 11.568 -9.042 -7.512 1.00 1.00 H new ATOM 1570 N PHE A 101 6.848 -4.410 -2.991 1.00 1.00 N ATOM 1571 CA PHE A 101 6.003 -4.988 -1.946 1.00 1.00 C ATOM 1572 C PHE A 101 5.316 -6.251 -2.457 1.00 1.00 C ATOM 1573 O PHE A 101 5.099 -6.403 -3.659 1.00 1.00 O ATOM 1574 CB PHE A 101 4.939 -3.972 -1.523 1.00 1.00 C ATOM 1575 CG PHE A 101 5.598 -2.675 -1.114 1.00 1.00 C ATOM 1576 CD1 PHE A 101 6.071 -2.509 0.192 1.00 1.00 C ATOM 1577 CD2 PHE A 101 5.727 -1.634 -2.042 1.00 1.00 C ATOM 1578 CE1 PHE A 101 6.674 -1.302 0.570 1.00 1.00 C ATOM 1579 CE2 PHE A 101 6.331 -0.427 -1.664 1.00 1.00 C ATOM 1580 CZ PHE A 101 6.804 -0.262 -0.357 1.00 1.00 C ATOM 0 H PHE A 101 6.473 -4.500 -3.935 1.00 1.00 H new ATOM 0 HA PHE A 101 6.630 -5.243 -1.092 1.00 1.00 H new ATOM 0 HB2 PHE A 101 4.246 -3.794 -2.346 1.00 1.00 H new ATOM 0 HB3 PHE A 101 4.354 -4.370 -0.694 1.00 1.00 H new ATOM 0 HD1 PHE A 101 5.971 -3.311 0.909 1.00 1.00 H new ATOM 0 HD2 PHE A 101 5.361 -1.761 -3.050 1.00 1.00 H new ATOM 0 HE1 PHE A 101 7.039 -1.174 1.578 1.00 1.00 H new ATOM 0 HE2 PHE A 101 6.431 0.375 -2.380 1.00 1.00 H new ATOM 0 HZ PHE A 101 7.269 0.668 -0.064 1.00 1.00 H new ATOM 1590 N GLU A 102 4.974 -7.158 -1.542 1.00 1.00 N ATOM 1591 CA GLU A 102 4.307 -8.407 -1.923 1.00 1.00 C ATOM 1592 C GLU A 102 3.276 -8.821 -0.879 1.00 1.00 C ATOM 1593 O GLU A 102 3.452 -8.582 0.312 1.00 1.00 O ATOM 1594 CB GLU A 102 5.345 -9.523 -2.090 1.00 1.00 C ATOM 1595 CG GLU A 102 4.660 -10.805 -2.573 1.00 1.00 C ATOM 1596 CD GLU A 102 5.702 -11.898 -2.792 1.00 1.00 C ATOM 1597 OE1 GLU A 102 6.829 -11.706 -2.364 1.00 1.00 O ATOM 1598 OE2 GLU A 102 5.359 -12.907 -3.383 1.00 1.00 O ATOM 0 H GLU A 102 5.145 -7.055 -0.542 1.00 1.00 H new ATOM 0 HA GLU A 102 3.791 -8.240 -2.869 1.00 1.00 H new ATOM 0 HB2 GLU A 102 6.109 -9.217 -2.805 1.00 1.00 H new ATOM 0 HB3 GLU A 102 5.851 -9.706 -1.142 1.00 1.00 H new ATOM 0 HG2 GLU A 102 3.924 -11.133 -1.839 1.00 1.00 H new ATOM 0 HG3 GLU A 102 4.121 -10.613 -3.501 1.00 1.00 H new ATOM 1605 N ILE A 103 2.200 -9.457 -1.340 1.00 1.00 N ATOM 1606 CA ILE A 103 1.136 -9.928 -0.451 1.00 1.00 C ATOM 1607 C ILE A 103 0.865 -11.412 -0.731 1.00 1.00 C ATOM 1608 O ILE A 103 0.172 -11.731 -1.697 1.00 1.00 O ATOM 1609 CB ILE A 103 -0.152 -9.126 -0.691 1.00 1.00 C ATOM 1610 CG1 ILE A 103 0.080 -7.630 -0.355 1.00 1.00 C ATOM 1611 CG2 ILE A 103 -1.261 -9.687 0.207 1.00 1.00 C ATOM 1612 CD1 ILE A 103 0.548 -6.863 -1.599 1.00 1.00 C ATOM 0 H ILE A 103 2.041 -9.659 -2.327 1.00 1.00 H new ATOM 0 HA ILE A 103 1.452 -9.793 0.584 1.00 1.00 H new ATOM 0 HB ILE A 103 -0.441 -9.210 -1.739 1.00 1.00 H new ATOM 0 HG12 ILE A 103 -0.842 -7.190 0.025 1.00 1.00 H new ATOM 0 HG13 ILE A 103 0.825 -7.541 0.436 1.00 1.00 H new ATOM 0 HG21 ILE A 103 -2.180 -9.124 0.044 1.00 1.00 H new ATOM 0 HG22 ILE A 103 -1.430 -10.736 -0.036 1.00 1.00 H new ATOM 0 HG23 ILE A 103 -0.962 -9.600 1.252 1.00 1.00 H new ATOM 0 HD11 ILE A 103 0.705 -5.815 -1.343 1.00 1.00 H new ATOM 0 HD12 ILE A 103 1.482 -7.292 -1.961 1.00 1.00 H new ATOM 0 HD13 ILE A 103 -0.211 -6.936 -2.378 1.00 1.00 H new ATOM 1624 N PRO A 104 1.403 -12.331 0.050 1.00 1.00 N ATOM 1625 CA PRO A 104 1.201 -13.790 -0.200 1.00 1.00 C ATOM 1626 C PRO A 104 -0.222 -14.249 0.111 1.00 1.00 C ATOM 1627 O PRO A 104 -0.610 -15.363 -0.241 1.00 1.00 O ATOM 1628 CB PRO A 104 2.236 -14.472 0.710 1.00 1.00 C ATOM 1629 CG PRO A 104 2.474 -13.505 1.825 1.00 1.00 C ATOM 1630 CD PRO A 104 2.246 -12.101 1.247 1.00 1.00 C ATOM 0 HA PRO A 104 1.336 -14.044 -1.251 1.00 1.00 H new ATOM 0 HB2 PRO A 104 1.862 -15.424 1.087 1.00 1.00 H new ATOM 0 HB3 PRO A 104 3.158 -14.684 0.168 1.00 1.00 H new ATOM 0 HG2 PRO A 104 1.794 -13.697 2.655 1.00 1.00 H new ATOM 0 HG3 PRO A 104 3.488 -13.604 2.213 1.00 1.00 H new ATOM 0 HD2 PRO A 104 1.747 -11.451 1.966 1.00 1.00 H new ATOM 0 HD3 PRO A 104 3.189 -11.621 0.984 1.00 1.00 H new ATOM 1638 N ASP A 105 -1.002 -13.389 0.763 1.00 1.00 N ATOM 1639 CA ASP A 105 -2.383 -13.729 1.097 1.00 1.00 C ATOM 1640 C ASP A 105 -3.310 -13.256 -0.014 1.00 1.00 C ATOM 1641 O ASP A 105 -3.566 -12.064 -0.158 1.00 1.00 O ATOM 1642 CB ASP A 105 -2.771 -13.074 2.424 1.00 1.00 C ATOM 1643 CG ASP A 105 -2.089 -13.798 3.580 1.00 1.00 C ATOM 1644 OD1 ASP A 105 -1.595 -14.892 3.362 1.00 1.00 O ATOM 1645 OD2 ASP A 105 -2.069 -13.245 4.668 1.00 1.00 O ATOM 0 H ASP A 105 -0.706 -12.462 1.068 1.00 1.00 H new ATOM 0 HA ASP A 105 -2.475 -14.810 1.198 1.00 1.00 H new ATOM 0 HB2 ASP A 105 -2.480 -12.023 2.420 1.00 1.00 H new ATOM 0 HB3 ASP A 105 -3.853 -13.105 2.552 1.00 1.00 H new ATOM 1650 N GLU A 106 -3.788 -14.206 -0.809 1.00 1.00 N ATOM 1651 CA GLU A 106 -4.665 -13.897 -1.934 1.00 1.00 C ATOM 1652 C GLU A 106 -5.938 -13.187 -1.485 1.00 1.00 C ATOM 1653 O GLU A 106 -6.266 -12.123 -1.997 1.00 1.00 O ATOM 1654 CB GLU A 106 -5.036 -15.191 -2.663 1.00 1.00 C ATOM 1655 CG GLU A 106 -5.848 -14.866 -3.919 1.00 1.00 C ATOM 1656 CD GLU A 106 -6.173 -16.153 -4.669 1.00 1.00 C ATOM 1657 OE1 GLU A 106 -5.975 -17.213 -4.100 1.00 1.00 O ATOM 1658 OE2 GLU A 106 -6.617 -16.060 -5.801 1.00 1.00 O ATOM 0 H GLU A 106 -3.583 -15.199 -0.696 1.00 1.00 H new ATOM 0 HA GLU A 106 -4.125 -13.226 -2.602 1.00 1.00 H new ATOM 0 HB2 GLU A 106 -4.133 -15.738 -2.934 1.00 1.00 H new ATOM 0 HB3 GLU A 106 -5.614 -15.838 -2.003 1.00 1.00 H new ATOM 0 HG2 GLU A 106 -6.769 -14.351 -3.645 1.00 1.00 H new ATOM 0 HG3 GLU A 106 -5.285 -14.191 -4.563 1.00 1.00 H new ATOM 1665 N GLU A 107 -6.662 -13.777 -0.541 1.00 1.00 N ATOM 1666 CA GLU A 107 -7.904 -13.170 -0.076 1.00 1.00 C ATOM 1667 C GLU A 107 -7.680 -11.709 0.295 1.00 1.00 C ATOM 1668 O GLU A 107 -8.478 -10.840 -0.057 1.00 1.00 O ATOM 1669 CB GLU A 107 -8.466 -13.948 1.123 1.00 1.00 C ATOM 1670 CG GLU A 107 -7.497 -13.881 2.307 1.00 1.00 C ATOM 1671 CD GLU A 107 -8.000 -14.773 3.437 1.00 1.00 C ATOM 1672 OE1 GLU A 107 -9.110 -15.267 3.327 1.00 1.00 O ATOM 1673 OE2 GLU A 107 -7.266 -14.951 4.396 1.00 1.00 O ATOM 0 H GLU A 107 -6.417 -14.658 -0.090 1.00 1.00 H new ATOM 0 HA GLU A 107 -8.631 -13.211 -0.887 1.00 1.00 H new ATOM 0 HB2 GLU A 107 -9.432 -13.534 1.412 1.00 1.00 H new ATOM 0 HB3 GLU A 107 -8.636 -14.988 0.842 1.00 1.00 H new ATOM 0 HG2 GLU A 107 -6.503 -14.201 1.994 1.00 1.00 H new ATOM 0 HG3 GLU A 107 -7.406 -12.853 2.656 1.00 1.00 H new ATOM 1680 N HIS A 108 -6.585 -11.439 0.990 1.00 1.00 N ATOM 1681 CA HIS A 108 -6.258 -10.076 1.382 1.00 1.00 C ATOM 1682 C HIS A 108 -5.859 -9.249 0.162 1.00 1.00 C ATOM 1683 O HIS A 108 -6.220 -8.080 0.047 1.00 1.00 O ATOM 1684 CB HIS A 108 -5.103 -10.087 2.385 1.00 1.00 C ATOM 1685 CG HIS A 108 -5.569 -10.589 3.730 1.00 1.00 C ATOM 1686 ND1 HIS A 108 -4.677 -10.851 4.759 1.00 1.00 N ATOM 1687 CD2 HIS A 108 -6.816 -10.880 4.238 1.00 1.00 C ATOM 1688 CE1 HIS A 108 -5.388 -11.276 5.819 1.00 1.00 C ATOM 1689 NE2 HIS A 108 -6.697 -11.311 5.556 1.00 1.00 N ATOM 0 H HIS A 108 -5.911 -12.142 1.293 1.00 1.00 H new ATOM 0 HA HIS A 108 -7.139 -9.628 1.841 1.00 1.00 H new ATOM 0 HB2 HIS A 108 -4.298 -10.721 2.013 1.00 1.00 H new ATOM 0 HB3 HIS A 108 -4.695 -9.082 2.488 1.00 1.00 H new ATOM 0 HD2 HIS A 108 -7.745 -10.788 3.696 1.00 1.00 H new ATOM 0 HE1 HIS A 108 -4.953 -11.555 6.767 1.00 1.00 H new ATOM 0 HE2 HIS A 108 -7.448 -11.593 6.186 1.00 1.00 H new ATOM 1697 N CYS A 109 -5.100 -9.863 -0.740 1.00 1.00 N ATOM 1698 CA CYS A 109 -4.638 -9.169 -1.934 1.00 1.00 C ATOM 1699 C CYS A 109 -5.811 -8.621 -2.738 1.00 1.00 C ATOM 1700 O CYS A 109 -5.713 -7.563 -3.349 1.00 1.00 O ATOM 1701 CB CYS A 109 -3.784 -10.123 -2.799 1.00 1.00 C ATOM 1702 SG CYS A 109 -2.425 -9.203 -3.573 1.00 1.00 S ATOM 0 H CYS A 109 -4.794 -10.833 -0.667 1.00 1.00 H new ATOM 0 HA CYS A 109 -4.023 -8.323 -1.626 1.00 1.00 H new ATOM 0 HB2 CYS A 109 -3.385 -10.928 -2.182 1.00 1.00 H new ATOM 0 HB3 CYS A 109 -4.405 -10.586 -3.566 1.00 1.00 H new ATOM 1707 N LEU A 110 -6.915 -9.348 -2.743 1.00 1.00 N ATOM 1708 CA LEU A 110 -8.084 -8.914 -3.493 1.00 1.00 C ATOM 1709 C LEU A 110 -8.634 -7.607 -2.958 1.00 1.00 C ATOM 1710 O LEU A 110 -9.006 -6.721 -3.726 1.00 1.00 O ATOM 1711 CB LEU A 110 -9.181 -9.966 -3.400 1.00 1.00 C ATOM 1712 CG LEU A 110 -8.729 -11.263 -4.077 1.00 1.00 C ATOM 1713 CD1 LEU A 110 -9.820 -12.325 -3.901 1.00 1.00 C ATOM 1714 CD2 LEU A 110 -8.470 -11.016 -5.576 1.00 1.00 C ATOM 0 H LEU A 110 -7.028 -10.230 -2.244 1.00 1.00 H new ATOM 0 HA LEU A 110 -7.772 -8.773 -4.528 1.00 1.00 H new ATOM 0 HB2 LEU A 110 -9.423 -10.158 -2.355 1.00 1.00 H new ATOM 0 HB3 LEU A 110 -10.090 -9.597 -3.875 1.00 1.00 H new ATOM 0 HG LEU A 110 -7.803 -11.610 -3.618 1.00 1.00 H new ATOM 0 HD11 LEU A 110 -9.506 -13.252 -4.380 1.00 1.00 H new ATOM 0 HD12 LEU A 110 -9.986 -12.504 -2.839 1.00 1.00 H new ATOM 0 HD13 LEU A 110 -10.745 -11.975 -4.359 1.00 1.00 H new ATOM 0 HD21 LEU A 110 -8.149 -11.945 -6.048 1.00 1.00 H new ATOM 0 HD22 LEU A 110 -9.387 -10.666 -6.051 1.00 1.00 H new ATOM 0 HD23 LEU A 110 -7.691 -10.262 -5.691 1.00 1.00 H new ATOM 1726 N LYS A 111 -8.705 -7.494 -1.644 1.00 1.00 N ATOM 1727 CA LYS A 111 -9.236 -6.286 -1.048 1.00 1.00 C ATOM 1728 C LYS A 111 -8.311 -5.110 -1.331 1.00 1.00 C ATOM 1729 O LYS A 111 -8.759 -4.019 -1.683 1.00 1.00 O ATOM 1730 CB LYS A 111 -9.380 -6.457 0.470 1.00 1.00 C ATOM 1731 CG LYS A 111 -10.337 -7.611 0.808 1.00 1.00 C ATOM 1732 CD LYS A 111 -11.772 -7.255 0.401 1.00 1.00 C ATOM 1733 CE LYS A 111 -12.743 -8.229 1.069 1.00 1.00 C ATOM 1734 NZ LYS A 111 -14.143 -7.827 0.764 1.00 1.00 N ATOM 0 H LYS A 111 -8.407 -8.210 -0.981 1.00 1.00 H new ATOM 0 HA LYS A 111 -10.216 -6.093 -1.484 1.00 1.00 H new ATOM 0 HB2 LYS A 111 -8.402 -6.650 0.912 1.00 1.00 H new ATOM 0 HB3 LYS A 111 -9.752 -5.531 0.910 1.00 1.00 H new ATOM 0 HG2 LYS A 111 -10.020 -8.517 0.291 1.00 1.00 H new ATOM 0 HG3 LYS A 111 -10.298 -7.823 1.876 1.00 1.00 H new ATOM 0 HD2 LYS A 111 -12.003 -6.232 0.698 1.00 1.00 H new ATOM 0 HD3 LYS A 111 -11.878 -7.304 -0.683 1.00 1.00 H new ATOM 0 HE2 LYS A 111 -12.559 -9.243 0.713 1.00 1.00 H new ATOM 0 HE3 LYS A 111 -12.583 -8.236 2.147 1.00 1.00 H new ATOM 0 HZ1 LYS A 111 -14.802 -8.491 1.219 1.00 1.00 H new ATOM 0 HZ2 LYS A 111 -14.315 -6.867 1.124 1.00 1.00 H new ATOM 0 HZ3 LYS A 111 -14.292 -7.842 -0.265 1.00 1.00 H new ATOM 1748 N PHE A 112 -7.018 -5.346 -1.157 1.00 1.00 N ATOM 1749 CA PHE A 112 -6.017 -4.314 -1.376 1.00 1.00 C ATOM 1750 C PHE A 112 -6.057 -3.805 -2.811 1.00 1.00 C ATOM 1751 O PHE A 112 -6.072 -2.598 -3.050 1.00 1.00 O ATOM 1752 CB PHE A 112 -4.633 -4.895 -1.054 1.00 1.00 C ATOM 1753 CG PHE A 112 -3.531 -3.973 -1.530 1.00 1.00 C ATOM 1754 CD1 PHE A 112 -3.261 -2.786 -0.841 1.00 1.00 C ATOM 1755 CD2 PHE A 112 -2.782 -4.312 -2.662 1.00 1.00 C ATOM 1756 CE1 PHE A 112 -2.237 -1.937 -1.290 1.00 1.00 C ATOM 1757 CE2 PHE A 112 -1.764 -3.467 -3.109 1.00 1.00 C ATOM 1758 CZ PHE A 112 -1.491 -2.280 -2.424 1.00 1.00 C ATOM 0 H PHE A 112 -6.638 -6.246 -0.864 1.00 1.00 H new ATOM 0 HA PHE A 112 -6.227 -3.467 -0.723 1.00 1.00 H new ATOM 0 HB2 PHE A 112 -4.542 -5.051 0.021 1.00 1.00 H new ATOM 0 HB3 PHE A 112 -4.525 -5.871 -1.528 1.00 1.00 H new ATOM 0 HD1 PHE A 112 -3.838 -2.524 0.033 1.00 1.00 H new ATOM 0 HD2 PHE A 112 -2.992 -5.230 -3.192 1.00 1.00 H new ATOM 0 HE1 PHE A 112 -2.025 -1.020 -0.761 1.00 1.00 H new ATOM 0 HE2 PHE A 112 -1.188 -3.731 -3.984 1.00 1.00 H new ATOM 0 HZ PHE A 112 -0.704 -1.627 -2.770 1.00 1.00 H new ATOM 1768 N LEU A 113 -6.068 -4.728 -3.763 1.00 1.00 N ATOM 1769 CA LEU A 113 -6.092 -4.340 -5.162 1.00 1.00 C ATOM 1770 C LEU A 113 -7.411 -3.665 -5.527 1.00 1.00 C ATOM 1771 O LEU A 113 -7.424 -2.681 -6.262 1.00 1.00 O ATOM 1772 CB LEU A 113 -5.858 -5.568 -6.046 1.00 1.00 C ATOM 1773 CG LEU A 113 -4.442 -6.119 -5.800 1.00 1.00 C ATOM 1774 CD1 LEU A 113 -4.266 -7.420 -6.592 1.00 1.00 C ATOM 1775 CD2 LEU A 113 -3.378 -5.087 -6.233 1.00 1.00 C ATOM 0 H LEU A 113 -6.061 -5.734 -3.595 1.00 1.00 H new ATOM 0 HA LEU A 113 -5.292 -3.619 -5.331 1.00 1.00 H new ATOM 0 HB2 LEU A 113 -6.601 -6.334 -5.825 1.00 1.00 H new ATOM 0 HB3 LEU A 113 -5.978 -5.301 -7.096 1.00 1.00 H new ATOM 0 HG LEU A 113 -4.313 -6.317 -4.736 1.00 1.00 H new ATOM 0 HD11 LEU A 113 -3.265 -7.816 -6.423 1.00 1.00 H new ATOM 0 HD12 LEU A 113 -5.006 -8.150 -6.262 1.00 1.00 H new ATOM 0 HD13 LEU A 113 -4.402 -7.220 -7.655 1.00 1.00 H new ATOM 0 HD21 LEU A 113 -2.383 -5.493 -6.052 1.00 1.00 H new ATOM 0 HD22 LEU A 113 -3.494 -4.869 -7.295 1.00 1.00 H new ATOM 0 HD23 LEU A 113 -3.506 -4.170 -5.658 1.00 1.00 H new ATOM 1787 N SER A 114 -8.518 -4.200 -5.020 1.00 1.00 N ATOM 1788 CA SER A 114 -9.830 -3.632 -5.320 1.00 1.00 C ATOM 1789 C SER A 114 -9.982 -2.230 -4.737 1.00 1.00 C ATOM 1790 O SER A 114 -10.462 -1.317 -5.409 1.00 1.00 O ATOM 1791 CB SER A 114 -10.920 -4.534 -4.748 1.00 1.00 C ATOM 1792 OG SER A 114 -10.740 -4.652 -3.343 1.00 1.00 O ATOM 0 H SER A 114 -8.535 -5.015 -4.407 1.00 1.00 H new ATOM 0 HA SER A 114 -9.925 -3.563 -6.404 1.00 1.00 H new ATOM 0 HB2 SER A 114 -11.904 -4.119 -4.967 1.00 1.00 H new ATOM 0 HB3 SER A 114 -10.877 -5.518 -5.216 1.00 1.00 H new ATOM 0 HG SER A 114 -9.808 -4.454 -3.115 1.00 1.00 H new ATOM 1798 N ALA A 115 -9.586 -2.071 -3.479 1.00 1.00 N ATOM 1799 CA ALA A 115 -9.700 -0.778 -2.807 1.00 1.00 C ATOM 1800 C ALA A 115 -8.760 0.258 -3.430 1.00 1.00 C ATOM 1801 O ALA A 115 -9.178 1.368 -3.762 1.00 1.00 O ATOM 1802 CB ALA A 115 -9.393 -0.947 -1.310 1.00 1.00 C ATOM 0 H ALA A 115 -9.186 -2.814 -2.906 1.00 1.00 H new ATOM 0 HA ALA A 115 -10.720 -0.414 -2.930 1.00 1.00 H new ATOM 0 HB1 ALA A 115 -9.478 0.018 -0.810 1.00 1.00 H new ATOM 0 HB2 ALA A 115 -10.102 -1.648 -0.870 1.00 1.00 H new ATOM 0 HB3 ALA A 115 -8.380 -1.331 -1.187 1.00 1.00 H new ATOM 1808 N VAL A 116 -7.491 -0.111 -3.586 1.00 1.00 N ATOM 1809 CA VAL A 116 -6.504 0.797 -4.171 1.00 1.00 C ATOM 1810 C VAL A 116 -6.852 1.117 -5.624 1.00 1.00 C ATOM 1811 O VAL A 116 -6.777 2.270 -6.046 1.00 1.00 O ATOM 1812 CB VAL A 116 -5.105 0.174 -4.093 1.00 1.00 C ATOM 1813 CG1 VAL A 116 -4.107 1.015 -4.896 1.00 1.00 C ATOM 1814 CG2 VAL A 116 -4.655 0.125 -2.630 1.00 1.00 C ATOM 0 H VAL A 116 -7.123 -1.024 -3.319 1.00 1.00 H new ATOM 0 HA VAL A 116 -6.515 1.727 -3.602 1.00 1.00 H new ATOM 0 HB VAL A 116 -5.141 -0.833 -4.508 1.00 1.00 H new ATOM 0 HG11 VAL A 116 -3.117 0.563 -4.833 1.00 1.00 H new ATOM 0 HG12 VAL A 116 -4.422 1.056 -5.939 1.00 1.00 H new ATOM 0 HG13 VAL A 116 -4.071 2.025 -4.488 1.00 1.00 H new ATOM 0 HG21 VAL A 116 -3.661 -0.317 -2.570 1.00 1.00 H new ATOM 0 HG22 VAL A 116 -4.628 1.136 -2.224 1.00 1.00 H new ATOM 0 HG23 VAL A 116 -5.356 -0.479 -2.054 1.00 1.00 H new ATOM 1824 N LEU A 117 -7.227 0.095 -6.384 1.00 1.00 N ATOM 1825 CA LEU A 117 -7.577 0.293 -7.786 1.00 1.00 C ATOM 1826 C LEU A 117 -8.759 1.243 -7.903 1.00 1.00 C ATOM 1827 O LEU A 117 -8.758 2.157 -8.727 1.00 1.00 O ATOM 1828 CB LEU A 117 -7.938 -1.055 -8.422 1.00 1.00 C ATOM 1829 CG LEU A 117 -8.445 -0.855 -9.858 1.00 1.00 C ATOM 1830 CD1 LEU A 117 -7.401 -0.096 -10.685 1.00 1.00 C ATOM 1831 CD2 LEU A 117 -8.701 -2.227 -10.484 1.00 1.00 C ATOM 0 H LEU A 117 -7.296 -0.869 -6.058 1.00 1.00 H new ATOM 0 HA LEU A 117 -6.722 0.725 -8.306 1.00 1.00 H new ATOM 0 HB2 LEU A 117 -7.065 -1.707 -8.426 1.00 1.00 H new ATOM 0 HB3 LEU A 117 -8.704 -1.551 -7.826 1.00 1.00 H new ATOM 0 HG LEU A 117 -9.367 -0.274 -9.843 1.00 1.00 H new ATOM 0 HD11 LEU A 117 -7.771 0.040 -11.701 1.00 1.00 H new ATOM 0 HD12 LEU A 117 -7.216 0.878 -10.232 1.00 1.00 H new ATOM 0 HD13 LEU A 117 -6.472 -0.666 -10.710 1.00 1.00 H new ATOM 0 HD21 LEU A 117 -9.062 -2.100 -11.505 1.00 1.00 H new ATOM 0 HD22 LEU A 117 -7.774 -2.800 -10.496 1.00 1.00 H new ATOM 0 HD23 LEU A 117 -9.450 -2.760 -9.898 1.00 1.00 H new ATOM 1843 N ALA A 118 -9.764 1.019 -7.072 1.00 1.00 N ATOM 1844 CA ALA A 118 -10.956 1.855 -7.080 1.00 1.00 C ATOM 1845 C ALA A 118 -10.595 3.301 -6.756 1.00 1.00 C ATOM 1846 O ALA A 118 -11.165 4.232 -7.320 1.00 1.00 O ATOM 1847 CB ALA A 118 -11.960 1.334 -6.052 1.00 1.00 C ATOM 0 H ALA A 118 -9.779 0.266 -6.384 1.00 1.00 H new ATOM 0 HA ALA A 118 -11.401 1.818 -8.074 1.00 1.00 H new ATOM 0 HB1 ALA A 118 -12.850 1.963 -6.062 1.00 1.00 H new ATOM 0 HB2 ALA A 118 -12.237 0.309 -6.301 1.00 1.00 H new ATOM 0 HB3 ALA A 118 -11.510 1.358 -5.060 1.00 1.00 H new ATOM 1853 N ALA A 119 -9.644 3.485 -5.846 1.00 1.00 N ATOM 1854 CA ALA A 119 -9.223 4.827 -5.467 1.00 1.00 C ATOM 1855 C ALA A 119 -8.625 5.562 -6.663 1.00 1.00 C ATOM 1856 O ALA A 119 -8.989 6.704 -6.943 1.00 1.00 O ATOM 1857 CB ALA A 119 -8.192 4.755 -4.339 1.00 1.00 C ATOM 0 H ALA A 119 -9.156 2.731 -5.363 1.00 1.00 H new ATOM 0 HA ALA A 119 -10.099 5.376 -5.121 1.00 1.00 H new ATOM 0 HB1 ALA A 119 -7.884 5.763 -4.063 1.00 1.00 H new ATOM 0 HB2 ALA A 119 -8.633 4.261 -3.474 1.00 1.00 H new ATOM 0 HB3 ALA A 119 -7.323 4.189 -4.676 1.00 1.00 H new ATOM 1863 N GLN A 120 -7.712 4.901 -7.371 1.00 1.00 N ATOM 1864 CA GLN A 120 -7.083 5.515 -8.536 1.00 1.00 C ATOM 1865 C GLN A 120 -8.081 5.656 -9.680 1.00 1.00 C ATOM 1866 O GLN A 120 -8.077 6.650 -10.404 1.00 1.00 O ATOM 1867 CB GLN A 120 -5.874 4.694 -8.987 1.00 1.00 C ATOM 1868 CG GLN A 120 -4.736 4.875 -7.978 1.00 1.00 C ATOM 1869 CD GLN A 120 -3.536 4.029 -8.382 1.00 1.00 C ATOM 1870 OE1 GLN A 120 -3.655 2.812 -8.513 1.00 1.00 O ATOM 1871 NE2 GLN A 120 -2.379 4.603 -8.585 1.00 1.00 N ATOM 0 H GLN A 120 -7.395 3.954 -7.162 1.00 1.00 H new ATOM 0 HA GLN A 120 -6.743 6.511 -8.252 1.00 1.00 H new ATOM 0 HB2 GLN A 120 -6.143 3.641 -9.064 1.00 1.00 H new ATOM 0 HB3 GLN A 120 -5.552 5.014 -9.978 1.00 1.00 H new ATOM 0 HG2 GLN A 120 -4.449 5.925 -7.927 1.00 1.00 H new ATOM 0 HG3 GLN A 120 -5.074 4.588 -6.982 1.00 1.00 H new ATOM 0 HE21 GLN A 120 -2.284 5.613 -8.475 1.00 1.00 H new ATOM 0 HE22 GLN A 120 -1.571 4.041 -8.853 1.00 1.00 H new ATOM 1880 N LYS A 121 -8.929 4.659 -9.842 1.00 1.00 N ATOM 1881 CA LYS A 121 -9.931 4.683 -10.891 1.00 1.00 C ATOM 1882 C LYS A 121 -10.921 5.821 -10.672 1.00 1.00 C ATOM 1883 O LYS A 121 -11.292 6.528 -11.608 1.00 1.00 O ATOM 1884 CB LYS A 121 -10.675 3.355 -10.873 1.00 1.00 C ATOM 1885 CG LYS A 121 -11.704 3.304 -11.992 1.00 1.00 C ATOM 1886 CD LYS A 121 -12.417 1.964 -11.904 1.00 1.00 C ATOM 1887 CE LYS A 121 -13.440 1.849 -13.028 1.00 1.00 C ATOM 1888 NZ LYS A 121 -14.614 2.720 -12.732 1.00 1.00 N ATOM 0 H LYS A 121 -8.944 3.821 -9.260 1.00 1.00 H new ATOM 0 HA LYS A 121 -9.441 4.839 -11.852 1.00 1.00 H new ATOM 0 HB2 LYS A 121 -9.967 2.534 -10.985 1.00 1.00 H new ATOM 0 HB3 LYS A 121 -11.169 3.222 -9.911 1.00 1.00 H new ATOM 0 HG2 LYS A 121 -12.416 4.123 -11.894 1.00 1.00 H new ATOM 0 HG3 LYS A 121 -11.220 3.417 -12.962 1.00 1.00 H new ATOM 0 HD2 LYS A 121 -11.694 1.152 -11.974 1.00 1.00 H new ATOM 0 HD3 LYS A 121 -12.912 1.868 -10.938 1.00 1.00 H new ATOM 0 HE2 LYS A 121 -12.988 2.142 -13.975 1.00 1.00 H new ATOM 0 HE3 LYS A 121 -13.762 0.813 -13.135 1.00 1.00 H new ATOM 0 HZ1 LYS A 121 -15.372 2.526 -13.417 1.00 1.00 H new ATOM 0 HZ2 LYS A 121 -14.958 2.524 -11.770 1.00 1.00 H new ATOM 0 HZ3 LYS A 121 -14.332 3.719 -12.802 1.00 1.00 H new ATOM 1902 N ALA A 122 -11.362 5.970 -9.431 1.00 1.00 N ATOM 1903 CA ALA A 122 -12.332 7.006 -9.087 1.00 1.00 C ATOM 1904 C ALA A 122 -11.804 8.405 -9.397 1.00 1.00 C ATOM 1905 O ALA A 122 -12.490 9.206 -10.034 1.00 1.00 O ATOM 1906 CB ALA A 122 -12.673 6.916 -7.600 1.00 1.00 C ATOM 0 H ALA A 122 -11.066 5.390 -8.646 1.00 1.00 H new ATOM 0 HA ALA A 122 -13.223 6.839 -9.692 1.00 1.00 H new ATOM 0 HB1 ALA A 122 -13.397 7.690 -7.345 1.00 1.00 H new ATOM 0 HB2 ALA A 122 -13.098 5.936 -7.383 1.00 1.00 H new ATOM 0 HB3 ALA A 122 -11.768 7.058 -7.010 1.00 1.00 H new ATOM 1912 N GLN A 123 -10.593 8.700 -8.938 1.00 1.00 N ATOM 1913 CA GLN A 123 -10.004 10.016 -9.172 1.00 1.00 C ATOM 1914 C GLN A 123 -9.605 10.172 -10.636 1.00 1.00 C ATOM 1915 O GLN A 123 -9.797 11.231 -11.233 1.00 1.00 O ATOM 1916 CB GLN A 123 -8.785 10.222 -8.263 1.00 1.00 C ATOM 1917 CG GLN A 123 -7.633 9.333 -8.727 1.00 1.00 C ATOM 1918 CD GLN A 123 -6.505 9.350 -7.700 1.00 1.00 C ATOM 1919 OE1 GLN A 123 -5.490 8.678 -7.882 1.00 1.00 O ATOM 1920 NE2 GLN A 123 -6.620 10.083 -6.629 1.00 1.00 N ATOM 0 H GLN A 123 -10.005 8.056 -8.408 1.00 1.00 H new ATOM 0 HA GLN A 123 -10.750 10.775 -8.935 1.00 1.00 H new ATOM 0 HB2 GLN A 123 -8.479 11.268 -8.282 1.00 1.00 H new ATOM 0 HB3 GLN A 123 -9.046 9.985 -7.231 1.00 1.00 H new ATOM 0 HG2 GLN A 123 -7.987 8.312 -8.871 1.00 1.00 H new ATOM 0 HG3 GLN A 123 -7.262 9.681 -9.691 1.00 1.00 H new ATOM 0 HE21 GLN A 123 -7.462 10.639 -6.480 1.00 1.00 H new ATOM 0 HE22 GLN A 123 -5.868 10.101 -5.940 1.00 1.00 H new ATOM 1929 N SER A 124 -9.052 9.108 -11.206 1.00 1.00 N ATOM 1930 CA SER A 124 -8.626 9.130 -12.600 1.00 1.00 C ATOM 1931 C SER A 124 -7.753 10.350 -12.875 1.00 1.00 C ATOM 1932 O SER A 124 -6.545 10.231 -12.746 1.00 1.00 O ATOM 1933 CB SER A 124 -9.848 9.153 -13.517 1.00 1.00 C ATOM 1934 OG SER A 124 -9.447 8.826 -14.840 1.00 1.00 O ATOM 1935 OXT SER A 124 -8.305 11.385 -13.211 1.00 1.00 O ATOM 0 H SER A 124 -8.889 8.223 -10.727 1.00 1.00 H new ATOM 0 HA SER A 124 -8.042 8.231 -12.798 1.00 1.00 H new ATOM 0 HB2 SER A 124 -10.595 8.442 -13.165 1.00 1.00 H new ATOM 0 HB3 SER A 124 -10.313 10.139 -13.498 1.00 1.00 H new ATOM 0 HG SER A 124 -10.229 8.838 -15.431 1.00 1.00 H new