USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 474 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 THR OG1 : rot 130:sc= -3.03! USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -142:sc= -0.291 (180deg=-1.44!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -150:sc= -0.445 (180deg=-1.91!) USER MOD Single : A 47 LYS NZ :NH3+ -140:sc= -1.01 (180deg=-4.58!) USER MOD Single : A 48 MET CE :methyl -151:sc= -0.495 (180deg=-1.51!) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 167:sc= -0.0603 (180deg=-0.647) USER MOD Single : A 62 MET CE :methyl 153:sc= -0.164 (180deg=-1.38!) USER MOD Single : A 66 THR OG1 : rot 105:sc= 1.31 USER MOD Single : A 69 SER OG : rot -101:sc= 1.21 USER MOD Single : A 70 MET CE :methyl -154:sc= -1.87 (180deg=-3.26) USER MOD ----------------------------------------------------------------- ATOM 109 N THR A 7 -5.973 9.294 -5.599 1.00 0.00 N ATOM 110 CA THR A 7 -5.351 7.998 -5.162 1.00 0.00 C ATOM 111 C THR A 7 -6.164 7.342 -4.035 1.00 0.00 C ATOM 112 O THR A 7 -6.759 8.009 -3.215 1.00 0.00 O ATOM 113 CB THR A 7 -3.903 8.234 -4.700 1.00 0.00 C ATOM 114 OG1 THR A 7 -3.253 6.987 -4.507 1.00 0.00 O ATOM 115 CG2 THR A 7 -3.877 9.017 -3.388 1.00 0.00 C ATOM 0 HA THR A 7 -5.349 7.321 -6.016 1.00 0.00 H new ATOM 0 HB THR A 7 -3.387 8.809 -5.469 1.00 0.00 H new ATOM 0 HG1 THR A 7 -2.394 6.990 -4.978 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.844 9.174 -3.078 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.363 9.982 -3.531 1.00 0.00 H new ATOM 0 HG23 THR A 7 -4.405 8.455 -2.618 1.00 0.00 H new ATOM 123 N PRO A 8 -6.156 6.032 -4.031 1.00 0.00 N ATOM 124 CA PRO A 8 -6.871 5.237 -3.017 1.00 0.00 C ATOM 125 C PRO A 8 -6.070 5.229 -1.712 1.00 0.00 C ATOM 126 O PRO A 8 -4.987 5.774 -1.659 1.00 0.00 O ATOM 127 CB PRO A 8 -6.937 3.838 -3.644 1.00 0.00 C ATOM 128 CG PRO A 8 -5.800 3.772 -4.689 1.00 0.00 C ATOM 129 CD PRO A 8 -5.432 5.225 -5.036 1.00 0.00 C ATOM 0 HA PRO A 8 -7.859 5.623 -2.767 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.811 3.066 -2.885 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.906 3.669 -4.114 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -4.937 3.240 -4.289 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.123 3.232 -5.579 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.356 5.388 -4.978 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.739 5.482 -6.050 1.00 0.00 H new ATOM 137 N PRO A 9 -6.621 4.617 -0.697 1.00 0.00 N ATOM 138 CA PRO A 9 -5.962 4.536 0.617 1.00 0.00 C ATOM 139 C PRO A 9 -4.794 3.545 0.571 1.00 0.00 C ATOM 140 O PRO A 9 -4.761 2.640 -0.238 1.00 0.00 O ATOM 141 CB PRO A 9 -7.078 4.069 1.556 1.00 0.00 C ATOM 142 CG PRO A 9 -8.145 3.394 0.665 1.00 0.00 C ATOM 143 CD PRO A 9 -7.937 3.948 -0.760 1.00 0.00 C ATOM 0 HA PRO A 9 -5.526 5.480 0.943 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.693 3.370 2.298 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -7.504 4.911 2.102 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.034 2.310 0.680 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.149 3.617 1.025 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.944 3.150 -1.503 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.727 4.647 -1.035 1.00 0.00 H new ATOM 151 N ALA A 10 -3.826 3.731 1.424 1.00 0.00 N ATOM 152 CA ALA A 10 -2.637 2.833 1.435 1.00 0.00 C ATOM 153 C ALA A 10 -3.060 1.372 1.265 1.00 0.00 C ATOM 154 O ALA A 10 -2.835 0.767 0.235 1.00 0.00 O ATOM 155 CB ALA A 10 -1.898 2.993 2.765 1.00 0.00 C ATOM 0 H ALA A 10 -3.808 4.475 2.122 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.984 3.106 0.606 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.027 2.338 2.778 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.576 4.028 2.880 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.564 2.727 3.586 1.00 0.00 H new ATOM 161 N ALA A 11 -3.650 0.795 2.271 1.00 0.00 N ATOM 162 CA ALA A 11 -4.063 -0.635 2.176 1.00 0.00 C ATOM 163 C ALA A 11 -4.732 -0.913 0.825 1.00 0.00 C ATOM 164 O ALA A 11 -4.219 -1.656 0.015 1.00 0.00 O ATOM 165 CB ALA A 11 -5.038 -0.962 3.306 1.00 0.00 C ATOM 0 H ALA A 11 -3.866 1.251 3.158 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.176 -1.262 2.263 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.339 -2.007 3.236 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.553 -0.788 4.267 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.918 -0.324 3.223 1.00 0.00 H new ATOM 171 N VAL A 12 -5.878 -0.335 0.580 1.00 0.00 N ATOM 172 CA VAL A 12 -6.578 -0.586 -0.717 1.00 0.00 C ATOM 173 C VAL A 12 -5.571 -0.562 -1.870 1.00 0.00 C ATOM 174 O VAL A 12 -5.429 -1.528 -2.593 1.00 0.00 O ATOM 175 CB VAL A 12 -7.644 0.487 -0.941 1.00 0.00 C ATOM 176 CG1 VAL A 12 -8.150 0.413 -2.384 1.00 0.00 C ATOM 177 CG2 VAL A 12 -8.812 0.248 0.018 1.00 0.00 C ATOM 0 H VAL A 12 -6.359 0.298 1.218 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.053 -1.566 -0.681 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.213 1.471 -0.757 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.910 1.178 -2.543 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.319 0.579 -3.070 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.582 -0.571 -2.568 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.574 1.011 -0.139 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.241 -0.736 -0.169 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.455 0.298 1.046 1.00 0.00 H new ATOM 187 N LEU A 13 -4.876 0.529 -2.055 1.00 0.00 N ATOM 188 CA LEU A 13 -3.883 0.595 -3.166 1.00 0.00 C ATOM 189 C LEU A 13 -3.084 -0.699 -3.202 1.00 0.00 C ATOM 190 O LEU A 13 -2.967 -1.347 -4.223 1.00 0.00 O ATOM 191 CB LEU A 13 -2.931 1.763 -2.935 1.00 0.00 C ATOM 192 CG LEU A 13 -2.498 2.342 -4.280 1.00 0.00 C ATOM 193 CD1 LEU A 13 -1.849 3.709 -4.061 1.00 0.00 C ATOM 194 CD2 LEU A 13 -1.486 1.396 -4.932 1.00 0.00 C ATOM 0 H LEU A 13 -4.952 1.373 -1.488 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.407 0.734 -4.111 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.420 2.532 -2.337 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.059 1.429 -2.373 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.367 2.454 -4.928 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.540 4.123 -5.021 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.566 4.381 -3.590 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.978 3.599 -3.416 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.173 1.804 -5.893 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.617 1.289 -4.283 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.947 0.420 -5.085 1.00 0.00 H new ATOM 206 N LEU A 14 -2.546 -1.084 -2.087 1.00 0.00 N ATOM 207 CA LEU A 14 -1.764 -2.345 -2.040 1.00 0.00 C ATOM 208 C LEU A 14 -2.720 -3.502 -2.299 1.00 0.00 C ATOM 209 O LEU A 14 -2.399 -4.444 -2.997 1.00 0.00 O ATOM 210 CB LEU A 14 -1.116 -2.500 -0.663 1.00 0.00 C ATOM 211 CG LEU A 14 0.237 -1.787 -0.653 1.00 0.00 C ATOM 212 CD1 LEU A 14 0.044 -0.325 -0.245 1.00 0.00 C ATOM 213 CD2 LEU A 14 1.168 -2.477 0.346 1.00 0.00 C ATOM 0 H LEU A 14 -2.613 -0.580 -1.203 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.976 -2.333 -2.793 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.766 -2.081 0.106 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.984 -3.556 -0.428 1.00 0.00 H new ATOM 0 HG LEU A 14 0.676 -1.829 -1.650 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.009 0.181 -0.238 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.619 0.167 -0.957 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.396 -0.280 0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.133 -1.970 0.354 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.728 -2.435 1.342 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.308 -3.518 0.054 1.00 0.00 H new ATOM 225 N LYS A 15 -3.911 -3.422 -1.765 1.00 0.00 N ATOM 226 CA LYS A 15 -4.903 -4.501 -2.006 1.00 0.00 C ATOM 227 C LYS A 15 -5.085 -4.636 -3.516 1.00 0.00 C ATOM 228 O LYS A 15 -5.064 -5.714 -4.070 1.00 0.00 O ATOM 229 CB LYS A 15 -6.236 -4.133 -1.352 1.00 0.00 C ATOM 230 CG LYS A 15 -6.836 -5.373 -0.687 1.00 0.00 C ATOM 231 CD LYS A 15 -7.594 -6.196 -1.732 1.00 0.00 C ATOM 232 CE LYS A 15 -9.025 -6.442 -1.250 1.00 0.00 C ATOM 233 NZ LYS A 15 -9.500 -7.760 -1.756 1.00 0.00 N ATOM 0 H LYS A 15 -4.235 -2.656 -1.174 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.557 -5.442 -1.578 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -6.086 -3.347 -0.612 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.924 -3.739 -2.100 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.047 -5.975 -0.237 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.510 -5.077 0.117 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.606 -5.669 -2.686 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.087 -7.146 -1.899 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.061 -6.424 -0.161 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.681 -5.647 -1.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.473 -7.927 -1.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.480 -7.760 -2.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.879 -8.514 -1.397 1.00 0.00 H new ATOM 247 N LYS A 16 -5.237 -3.539 -4.198 1.00 0.00 N ATOM 248 CA LYS A 16 -5.383 -3.619 -5.671 1.00 0.00 C ATOM 249 C LYS A 16 -4.032 -4.006 -6.254 1.00 0.00 C ATOM 250 O LYS A 16 -3.928 -4.833 -7.139 1.00 0.00 O ATOM 251 CB LYS A 16 -5.820 -2.260 -6.226 1.00 0.00 C ATOM 252 CG LYS A 16 -6.754 -2.467 -7.419 1.00 0.00 C ATOM 253 CD LYS A 16 -8.207 -2.321 -6.958 1.00 0.00 C ATOM 254 CE LYS A 16 -9.077 -1.886 -8.140 1.00 0.00 C ATOM 255 NZ LYS A 16 -10.490 -2.283 -7.886 1.00 0.00 N ATOM 0 H LYS A 16 -5.266 -2.599 -3.802 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.138 -4.359 -5.938 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.327 -1.685 -5.451 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.947 -1.683 -6.531 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.533 -1.738 -8.199 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.596 -3.455 -7.852 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.569 -3.267 -6.555 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.273 -1.587 -6.155 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.010 -0.807 -8.278 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -8.718 -2.348 -9.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.083 -1.988 -8.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.546 -3.316 -7.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.829 -1.823 -7.017 1.00 0.00 H new ATOM 269 N ALA A 17 -2.998 -3.406 -5.751 1.00 0.00 N ATOM 270 CA ALA A 17 -1.628 -3.714 -6.246 1.00 0.00 C ATOM 271 C ALA A 17 -1.229 -5.152 -5.874 1.00 0.00 C ATOM 272 O ALA A 17 -1.474 -6.087 -6.610 1.00 0.00 O ATOM 273 CB ALA A 17 -0.632 -2.734 -5.624 1.00 0.00 C ATOM 0 H ALA A 17 -3.040 -2.707 -5.010 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.617 -3.617 -7.332 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.372 -2.957 -5.985 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.900 -1.715 -5.905 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.657 -2.830 -4.538 1.00 0.00 H new ATOM 279 N ALA A 18 -0.592 -5.322 -4.742 1.00 0.00 N ATOM 280 CA ALA A 18 -0.144 -6.682 -4.317 1.00 0.00 C ATOM 281 C ALA A 18 -1.290 -7.459 -3.665 1.00 0.00 C ATOM 282 O ALA A 18 -1.120 -8.589 -3.252 1.00 0.00 O ATOM 283 CB ALA A 18 1.004 -6.541 -3.313 1.00 0.00 C ATOM 0 H ALA A 18 -0.362 -4.571 -4.091 1.00 0.00 H new ATOM 0 HA ALA A 18 0.187 -7.230 -5.199 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.336 -7.530 -2.999 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.834 -6.012 -3.781 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.660 -5.980 -2.444 1.00 0.00 H new ATOM 289 N GLY A 19 -2.454 -6.880 -3.564 1.00 0.00 N ATOM 290 CA GLY A 19 -3.587 -7.617 -2.934 1.00 0.00 C ATOM 291 C GLY A 19 -4.133 -8.659 -3.915 1.00 0.00 C ATOM 292 O GLY A 19 -5.099 -9.339 -3.634 1.00 0.00 O ATOM 0 H GLY A 19 -2.670 -5.937 -3.887 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.252 -8.105 -2.019 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.376 -6.919 -2.653 1.00 0.00 H new ATOM 447 N LYS A 31 -0.068 -13.109 6.415 1.00 0.00 N ATOM 448 CA LYS A 31 0.563 -12.566 5.180 1.00 0.00 C ATOM 449 C LYS A 31 0.014 -13.296 3.952 1.00 0.00 C ATOM 450 O LYS A 31 0.110 -14.503 3.843 1.00 0.00 O ATOM 451 CB LYS A 31 2.078 -12.766 5.255 1.00 0.00 C ATOM 452 CG LYS A 31 2.392 -14.257 5.412 1.00 0.00 C ATOM 453 CD LYS A 31 3.539 -14.435 6.409 1.00 0.00 C ATOM 454 CE LYS A 31 3.617 -15.899 6.846 1.00 0.00 C ATOM 455 NZ LYS A 31 2.306 -16.318 7.416 1.00 0.00 N ATOM 0 HA LYS A 31 0.336 -11.503 5.097 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.551 -12.377 4.353 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.488 -12.207 6.096 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.508 -14.791 5.760 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.665 -14.686 4.448 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.481 -14.130 5.953 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.383 -13.794 7.277 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.874 -16.530 5.995 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.406 -16.027 7.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.466 -16.949 8.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.780 -15.478 7.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.756 -16.820 6.690 1.00 0.00 H new ATOM 469 N VAL A 32 -0.556 -12.576 3.023 1.00 0.00 N ATOM 470 CA VAL A 32 -1.103 -13.234 1.804 1.00 0.00 C ATOM 471 C VAL A 32 -0.413 -12.672 0.562 1.00 0.00 C ATOM 472 O VAL A 32 -0.756 -13.006 -0.555 1.00 0.00 O ATOM 473 CB VAL A 32 -2.606 -12.972 1.705 1.00 0.00 C ATOM 474 CG1 VAL A 32 -3.275 -13.328 3.034 1.00 0.00 C ATOM 475 CG2 VAL A 32 -2.846 -11.495 1.393 1.00 0.00 C ATOM 0 H VAL A 32 -0.666 -11.562 3.056 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.923 -14.307 1.869 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.030 -13.585 0.910 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.347 -13.141 2.963 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.104 -14.381 3.257 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.852 -12.716 3.830 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.917 -11.307 1.322 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.422 -10.882 2.188 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.370 -11.241 0.446 1.00 0.00 H new ATOM 485 N ALA A 33 0.555 -11.820 0.745 1.00 0.00 N ATOM 486 CA ALA A 33 1.260 -11.240 -0.431 1.00 0.00 C ATOM 487 C ALA A 33 2.623 -10.698 0.004 1.00 0.00 C ATOM 488 O ALA A 33 2.747 -10.043 1.020 1.00 0.00 O ATOM 489 CB ALA A 33 0.422 -10.104 -1.016 1.00 0.00 C ATOM 0 H ALA A 33 0.888 -11.501 1.655 1.00 0.00 H new ATOM 0 HA ALA A 33 1.403 -12.013 -1.186 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.937 -9.678 -1.877 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.548 -10.491 -1.328 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.279 -9.331 -0.261 1.00 0.00 H new ATOM 495 N THR A 34 3.643 -10.966 -0.762 1.00 0.00 N ATOM 496 CA THR A 34 4.999 -10.466 -0.400 1.00 0.00 C ATOM 497 C THR A 34 5.643 -9.828 -1.630 1.00 0.00 C ATOM 498 O THR A 34 5.998 -10.503 -2.576 1.00 0.00 O ATOM 499 CB THR A 34 5.860 -11.637 0.083 1.00 0.00 C ATOM 500 OG1 THR A 34 5.085 -12.828 0.072 1.00 0.00 O ATOM 501 CG2 THR A 34 6.352 -11.361 1.505 1.00 0.00 C ATOM 0 H THR A 34 3.597 -11.510 -1.624 1.00 0.00 H new ATOM 0 HA THR A 34 4.919 -9.725 0.395 1.00 0.00 H new ATOM 0 HB THR A 34 6.718 -11.754 -0.579 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.635 -13.579 0.379 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.964 -12.196 1.847 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.946 -10.447 1.513 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.496 -11.243 2.170 1.00 0.00 H new ATOM 509 N ILE A 35 5.794 -8.532 -1.631 1.00 0.00 N ATOM 510 CA ILE A 35 6.411 -7.860 -2.809 1.00 0.00 C ATOM 511 C ILE A 35 7.643 -7.073 -2.370 1.00 0.00 C ATOM 512 O ILE A 35 7.828 -6.776 -1.207 1.00 0.00 O ATOM 513 CB ILE A 35 5.410 -6.893 -3.440 1.00 0.00 C ATOM 514 CG1 ILE A 35 4.705 -6.095 -2.339 1.00 0.00 C ATOM 515 CG2 ILE A 35 4.373 -7.681 -4.242 1.00 0.00 C ATOM 516 CD1 ILE A 35 3.740 -5.091 -2.972 1.00 0.00 C ATOM 0 H ILE A 35 5.518 -7.911 -0.870 1.00 0.00 H new ATOM 0 HA ILE A 35 6.697 -8.621 -3.535 1.00 0.00 H new ATOM 0 HB ILE A 35 5.938 -6.208 -4.104 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.162 -6.770 -1.678 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.440 -5.572 -1.727 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.659 -6.991 -4.692 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.874 -8.247 -5.027 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.846 -8.367 -3.580 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.239 -4.524 -2.188 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.295 -4.408 -3.615 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.997 -5.625 -3.565 1.00 0.00 H new ATOM 528 N LYS A 36 8.483 -6.728 -3.300 1.00 0.00 N ATOM 529 CA LYS A 36 9.701 -5.950 -2.953 1.00 0.00 C ATOM 530 C LYS A 36 9.368 -4.455 -2.994 1.00 0.00 C ATOM 531 O LYS A 36 8.217 -4.068 -2.982 1.00 0.00 O ATOM 532 CB LYS A 36 10.800 -6.275 -3.963 1.00 0.00 C ATOM 533 CG LYS A 36 11.379 -7.657 -3.651 1.00 0.00 C ATOM 534 CD LYS A 36 12.601 -7.915 -4.535 1.00 0.00 C ATOM 535 CE LYS A 36 13.029 -9.378 -4.398 1.00 0.00 C ATOM 536 NZ LYS A 36 12.606 -10.135 -5.610 1.00 0.00 N ATOM 0 H LYS A 36 8.379 -6.952 -4.290 1.00 0.00 H new ATOM 0 HA LYS A 36 10.046 -6.210 -1.952 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.397 -6.257 -4.975 1.00 0.00 H new ATOM 0 HB3 LYS A 36 11.585 -5.520 -3.919 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.660 -7.715 -2.599 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.625 -8.425 -3.823 1.00 0.00 H new ATOM 0 HD2 LYS A 36 12.365 -7.690 -5.575 1.00 0.00 H new ATOM 0 HD3 LYS A 36 13.419 -7.257 -4.244 1.00 0.00 H new ATOM 0 HE2 LYS A 36 14.110 -9.442 -4.275 1.00 0.00 H new ATOM 0 HE3 LYS A 36 12.581 -9.817 -3.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 12.897 -11.129 -5.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.572 -10.084 -5.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 13.054 -9.720 -6.452 1.00 0.00 H new ATOM 550 N ARG A 37 10.361 -3.611 -3.041 1.00 0.00 N ATOM 551 CA ARG A 37 10.090 -2.147 -3.081 1.00 0.00 C ATOM 552 C ARG A 37 9.532 -1.757 -4.451 1.00 0.00 C ATOM 553 O ARG A 37 9.026 -0.670 -4.639 1.00 0.00 O ATOM 554 CB ARG A 37 11.393 -1.379 -2.833 1.00 0.00 C ATOM 555 CG ARG A 37 11.724 -1.387 -1.340 1.00 0.00 C ATOM 556 CD ARG A 37 13.061 -0.677 -1.114 1.00 0.00 C ATOM 557 NE ARG A 37 13.264 -0.448 0.344 1.00 0.00 N ATOM 558 CZ ARG A 37 13.105 0.747 0.846 1.00 0.00 C ATOM 559 NH1 ARG A 37 13.705 1.771 0.302 1.00 0.00 N ATOM 560 NH2 ARG A 37 12.347 0.918 1.894 1.00 0.00 N ATOM 0 H ARG A 37 11.347 -3.871 -3.053 1.00 0.00 H new ATOM 0 HA ARG A 37 9.361 -1.899 -2.309 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.207 -1.834 -3.398 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.294 -0.353 -3.187 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.935 -0.888 -0.778 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.777 -2.412 -0.973 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.876 -1.279 -1.515 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.074 0.274 -1.647 1.00 0.00 H new ATOM 0 HE ARG A 37 13.527 -1.225 0.950 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.299 1.638 -0.516 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.580 2.704 0.695 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.879 0.119 2.321 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.222 1.851 2.287 1.00 0.00 H new ATOM 574 N ASP A 38 9.627 -2.635 -5.408 1.00 0.00 N ATOM 575 CA ASP A 38 9.114 -2.320 -6.776 1.00 0.00 C ATOM 576 C ASP A 38 7.620 -1.985 -6.715 1.00 0.00 C ATOM 577 O ASP A 38 7.153 -1.069 -7.365 1.00 0.00 O ATOM 578 CB ASP A 38 9.323 -3.530 -7.689 1.00 0.00 C ATOM 579 CG ASP A 38 10.811 -3.677 -8.009 1.00 0.00 C ATOM 580 OD1 ASP A 38 11.515 -2.684 -7.929 1.00 0.00 O ATOM 581 OD2 ASP A 38 11.221 -4.780 -8.328 1.00 0.00 O ATOM 0 H ASP A 38 10.039 -3.562 -5.305 1.00 0.00 H new ATOM 0 HA ASP A 38 9.657 -1.461 -7.169 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.954 -4.433 -7.203 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.753 -3.407 -8.610 1.00 0.00 H new ATOM 586 N LYS A 39 6.867 -2.719 -5.947 1.00 0.00 N ATOM 587 CA LYS A 39 5.405 -2.451 -5.853 1.00 0.00 C ATOM 588 C LYS A 39 5.158 -1.288 -4.903 1.00 0.00 C ATOM 589 O LYS A 39 4.462 -0.345 -5.228 1.00 0.00 O ATOM 590 CB LYS A 39 4.713 -3.679 -5.294 1.00 0.00 C ATOM 591 CG LYS A 39 4.049 -4.460 -6.432 1.00 0.00 C ATOM 592 CD LYS A 39 4.869 -5.715 -6.733 1.00 0.00 C ATOM 593 CE LYS A 39 6.092 -5.341 -7.571 1.00 0.00 C ATOM 594 NZ LYS A 39 5.665 -4.503 -8.729 1.00 0.00 N ATOM 0 H LYS A 39 7.202 -3.496 -5.378 1.00 0.00 H new ATOM 0 HA LYS A 39 5.018 -2.211 -6.843 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.435 -4.312 -4.778 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.965 -3.384 -4.558 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.032 -4.735 -6.154 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.978 -3.836 -7.323 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.184 -6.187 -5.803 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.257 -6.441 -7.268 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.812 -4.796 -6.960 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.592 -6.242 -7.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.311 -4.661 -9.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.698 -4.764 -9.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.688 -3.499 -8.458 1.00 0.00 H new ATOM 608 N VAL A 40 5.735 -1.331 -3.737 1.00 0.00 N ATOM 609 CA VAL A 40 5.539 -0.209 -2.792 1.00 0.00 C ATOM 610 C VAL A 40 6.176 1.024 -3.417 1.00 0.00 C ATOM 611 O VAL A 40 5.928 2.144 -3.016 1.00 0.00 O ATOM 612 CB VAL A 40 6.220 -0.529 -1.460 1.00 0.00 C ATOM 613 CG1 VAL A 40 6.310 0.742 -0.614 1.00 0.00 C ATOM 614 CG2 VAL A 40 5.401 -1.582 -0.710 1.00 0.00 C ATOM 0 H VAL A 40 6.329 -2.090 -3.402 1.00 0.00 H new ATOM 0 HA VAL A 40 4.479 -0.042 -2.602 1.00 0.00 H new ATOM 0 HB VAL A 40 7.223 -0.912 -1.648 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.795 0.514 0.335 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.892 1.494 -1.147 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.307 1.126 -0.426 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.885 -1.811 0.239 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.398 -1.198 -0.523 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.335 -2.488 -1.312 1.00 0.00 H new ATOM 624 N ARG A 41 6.980 0.820 -4.428 1.00 0.00 N ATOM 625 CA ARG A 41 7.617 1.978 -5.115 1.00 0.00 C ATOM 626 C ARG A 41 6.551 2.683 -5.951 1.00 0.00 C ATOM 627 O ARG A 41 6.238 3.838 -5.738 1.00 0.00 O ATOM 628 CB ARG A 41 8.746 1.495 -6.031 1.00 0.00 C ATOM 629 CG ARG A 41 10.084 1.619 -5.298 1.00 0.00 C ATOM 630 CD ARG A 41 11.004 2.569 -6.071 1.00 0.00 C ATOM 631 NE ARG A 41 12.345 2.602 -5.420 1.00 0.00 N ATOM 632 CZ ARG A 41 12.692 3.627 -4.690 1.00 0.00 C ATOM 633 NH1 ARG A 41 12.426 4.839 -5.095 1.00 0.00 N ATOM 634 NH2 ARG A 41 13.308 3.439 -3.555 1.00 0.00 N ATOM 0 H ARG A 41 7.221 -0.096 -4.805 1.00 0.00 H new ATOM 0 HA ARG A 41 8.037 2.660 -4.376 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.574 0.459 -6.324 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.764 2.086 -6.947 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.924 1.994 -4.287 1.00 0.00 H new ATOM 0 HG3 ARG A 41 10.552 0.639 -5.204 1.00 0.00 H new ATOM 0 HD2 ARG A 41 11.098 2.239 -7.106 1.00 0.00 H new ATOM 0 HD3 ARG A 41 10.574 3.570 -6.094 1.00 0.00 H new ATOM 0 HE ARG A 41 12.992 1.823 -5.545 1.00 0.00 H new ATOM 0 HH11 ARG A 41 11.946 4.986 -5.983 1.00 0.00 H new ATOM 0 HH12 ARG A 41 12.698 5.639 -4.523 1.00 0.00 H new ATOM 0 HH21 ARG A 41 13.518 2.492 -3.239 1.00 0.00 H new ATOM 0 HH22 ARG A 41 13.580 4.239 -2.984 1.00 0.00 H new ATOM 648 N GLU A 42 5.979 1.985 -6.896 1.00 0.00 N ATOM 649 CA GLU A 42 4.918 2.598 -7.742 1.00 0.00 C ATOM 650 C GLU A 42 3.743 2.967 -6.844 1.00 0.00 C ATOM 651 O GLU A 42 3.102 3.985 -7.013 1.00 0.00 O ATOM 652 CB GLU A 42 4.458 1.596 -8.805 1.00 0.00 C ATOM 653 CG GLU A 42 5.137 1.914 -10.138 1.00 0.00 C ATOM 654 CD GLU A 42 4.181 2.718 -11.020 1.00 0.00 C ATOM 655 OE1 GLU A 42 3.544 3.621 -10.501 1.00 0.00 O ATOM 656 OE2 GLU A 42 4.099 2.417 -12.199 1.00 0.00 O ATOM 0 H GLU A 42 6.203 1.015 -7.118 1.00 0.00 H new ATOM 0 HA GLU A 42 5.305 3.486 -8.241 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.704 0.581 -8.493 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.375 1.641 -8.917 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.052 2.480 -9.966 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.423 0.991 -10.642 1.00 0.00 H new ATOM 663 N ILE A 43 3.465 2.132 -5.887 1.00 0.00 N ATOM 664 CA ILE A 43 2.343 2.396 -4.952 1.00 0.00 C ATOM 665 C ILE A 43 2.606 3.699 -4.190 1.00 0.00 C ATOM 666 O ILE A 43 1.783 4.591 -4.165 1.00 0.00 O ATOM 667 CB ILE A 43 2.249 1.225 -3.972 1.00 0.00 C ATOM 668 CG1 ILE A 43 1.586 0.033 -4.667 1.00 0.00 C ATOM 669 CG2 ILE A 43 1.422 1.630 -2.750 1.00 0.00 C ATOM 670 CD1 ILE A 43 1.737 -1.217 -3.797 1.00 0.00 C ATOM 0 H ILE A 43 3.975 1.266 -5.711 1.00 0.00 H new ATOM 0 HA ILE A 43 1.407 2.496 -5.501 1.00 0.00 H new ATOM 0 HB ILE A 43 3.252 0.949 -3.647 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.530 0.242 -4.841 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.044 -0.133 -5.642 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.360 0.790 -2.058 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.897 2.476 -2.253 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.418 1.913 -3.067 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.264 -2.065 -4.293 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.795 -1.429 -3.645 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.259 -1.049 -2.832 1.00 0.00 H new ATOM 682 N ALA A 44 3.747 3.814 -3.565 1.00 0.00 N ATOM 683 CA ALA A 44 4.053 5.058 -2.805 1.00 0.00 C ATOM 684 C ALA A 44 4.053 6.249 -3.765 1.00 0.00 C ATOM 685 O ALA A 44 3.448 7.270 -3.503 1.00 0.00 O ATOM 686 CB ALA A 44 5.429 4.933 -2.146 1.00 0.00 C ATOM 0 H ALA A 44 4.478 3.102 -3.548 1.00 0.00 H new ATOM 0 HA ALA A 44 3.297 5.209 -2.034 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.651 5.844 -1.591 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.430 4.083 -1.464 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.188 4.783 -2.914 1.00 0.00 H new ATOM 692 N GLU A 45 4.721 6.126 -4.881 1.00 0.00 N ATOM 693 CA GLU A 45 4.748 7.251 -5.855 1.00 0.00 C ATOM 694 C GLU A 45 3.316 7.585 -6.266 1.00 0.00 C ATOM 695 O GLU A 45 2.977 8.726 -6.516 1.00 0.00 O ATOM 696 CB GLU A 45 5.553 6.842 -7.092 1.00 0.00 C ATOM 697 CG GLU A 45 6.786 7.739 -7.220 1.00 0.00 C ATOM 698 CD GLU A 45 6.527 8.814 -8.279 1.00 0.00 C ATOM 699 OE1 GLU A 45 5.377 8.975 -8.658 1.00 0.00 O ATOM 700 OE2 GLU A 45 7.478 9.454 -8.692 1.00 0.00 O ATOM 0 H GLU A 45 5.247 5.297 -5.158 1.00 0.00 H new ATOM 0 HA GLU A 45 5.215 8.123 -5.397 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.857 5.798 -7.012 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.935 6.927 -7.986 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.011 8.205 -6.261 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.656 7.143 -7.497 1.00 0.00 H new ATOM 707 N LEU A 46 2.472 6.597 -6.323 1.00 0.00 N ATOM 708 CA LEU A 46 1.053 6.846 -6.704 1.00 0.00 C ATOM 709 C LEU A 46 0.387 7.702 -5.623 1.00 0.00 C ATOM 710 O LEU A 46 0.046 8.845 -5.844 1.00 0.00 O ATOM 711 CB LEU A 46 0.314 5.509 -6.822 1.00 0.00 C ATOM 712 CG LEU A 46 0.262 5.076 -8.288 1.00 0.00 C ATOM 713 CD1 LEU A 46 0.065 3.561 -8.369 1.00 0.00 C ATOM 714 CD2 LEU A 46 -0.904 5.781 -8.985 1.00 0.00 C ATOM 0 H LEU A 46 2.702 5.624 -6.122 1.00 0.00 H new ATOM 0 HA LEU A 46 1.015 7.366 -7.661 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.820 4.749 -6.226 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.697 5.605 -6.425 1.00 0.00 H new ATOM 0 HG LEU A 46 1.197 5.345 -8.779 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.028 3.254 -9.414 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.895 3.059 -7.873 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.869 3.289 -7.878 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.943 5.474 -10.030 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.839 5.512 -8.493 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.762 6.860 -8.929 1.00 0.00 H new ATOM 726 N LYS A 47 0.203 7.148 -4.455 1.00 0.00 N ATOM 727 CA LYS A 47 -0.436 7.908 -3.339 1.00 0.00 C ATOM 728 C LYS A 47 0.587 8.841 -2.665 1.00 0.00 C ATOM 729 O LYS A 47 0.389 9.282 -1.553 1.00 0.00 O ATOM 730 CB LYS A 47 -0.973 6.907 -2.312 1.00 0.00 C ATOM 731 CG LYS A 47 -1.499 7.647 -1.079 1.00 0.00 C ATOM 732 CD LYS A 47 -2.637 6.844 -0.449 1.00 0.00 C ATOM 733 CE LYS A 47 -3.775 7.788 -0.058 1.00 0.00 C ATOM 734 NZ LYS A 47 -4.237 7.466 1.320 1.00 0.00 N ATOM 0 H LYS A 47 0.471 6.191 -4.223 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.248 8.518 -3.735 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.771 6.312 -2.756 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.183 6.215 -2.020 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.695 7.788 -0.356 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.852 8.639 -1.360 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.999 6.094 -1.152 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.276 6.310 0.430 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.436 8.823 -0.107 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.601 7.690 -0.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.274 7.533 1.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.942 6.500 1.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.819 8.140 1.993 1.00 0.00 H new ATOM 748 N MET A 48 1.680 9.140 -3.312 1.00 0.00 N ATOM 749 CA MET A 48 2.695 10.028 -2.675 1.00 0.00 C ATOM 750 C MET A 48 2.160 11.462 -2.551 1.00 0.00 C ATOM 751 O MET A 48 2.208 12.041 -1.484 1.00 0.00 O ATOM 752 CB MET A 48 3.970 10.030 -3.519 1.00 0.00 C ATOM 753 CG MET A 48 5.114 9.410 -2.714 1.00 0.00 C ATOM 754 SD MET A 48 6.205 10.722 -2.107 1.00 0.00 S ATOM 755 CE MET A 48 5.895 10.477 -0.341 1.00 0.00 C ATOM 0 H MET A 48 1.914 8.810 -4.249 1.00 0.00 H new ATOM 0 HA MET A 48 2.912 9.650 -1.676 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.811 9.467 -4.439 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.226 11.049 -3.809 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.715 8.838 -1.877 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.676 8.714 -3.337 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.020 11.423 0.185 1.00 0.00 H new ATOM 0 HE2 MET A 48 4.877 10.114 -0.197 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.601 9.746 0.054 1.00 0.00 H new ATOM 765 N PRO A 49 1.666 11.994 -3.639 1.00 0.00 N ATOM 766 CA PRO A 49 1.118 13.361 -3.666 1.00 0.00 C ATOM 767 C PRO A 49 -0.269 13.388 -3.020 1.00 0.00 C ATOM 768 O PRO A 49 -1.236 13.830 -3.610 1.00 0.00 O ATOM 769 CB PRO A 49 1.049 13.693 -5.160 1.00 0.00 C ATOM 770 CG PRO A 49 1.027 12.340 -5.906 1.00 0.00 C ATOM 771 CD PRO A 49 1.602 11.290 -4.934 1.00 0.00 C ATOM 0 HA PRO A 49 1.719 14.081 -3.111 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.157 14.277 -5.388 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.908 14.291 -5.465 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.011 12.078 -6.203 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.622 12.391 -6.818 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.964 10.408 -4.877 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.588 10.950 -5.252 1.00 0.00 H new ATOM 779 N ASP A 50 -0.368 12.916 -1.808 1.00 0.00 N ATOM 780 CA ASP A 50 -1.681 12.907 -1.104 1.00 0.00 C ATOM 781 C ASP A 50 -1.517 12.232 0.261 1.00 0.00 C ATOM 782 O ASP A 50 -2.200 12.557 1.211 1.00 0.00 O ATOM 783 CB ASP A 50 -2.707 12.133 -1.938 1.00 0.00 C ATOM 784 CG ASP A 50 -4.028 12.906 -1.968 1.00 0.00 C ATOM 785 OD1 ASP A 50 -4.603 13.100 -0.910 1.00 0.00 O ATOM 786 OD2 ASP A 50 -4.440 13.290 -3.050 1.00 0.00 O ATOM 0 H ASP A 50 0.410 12.533 -1.271 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.028 13.931 -0.967 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.334 11.990 -2.952 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -2.863 11.141 -1.513 1.00 0.00 H new ATOM 791 N LEU A 51 -0.610 11.296 0.365 1.00 0.00 N ATOM 792 CA LEU A 51 -0.399 10.603 1.668 1.00 0.00 C ATOM 793 C LEU A 51 0.212 11.582 2.672 1.00 0.00 C ATOM 794 O LEU A 51 0.803 12.576 2.302 1.00 0.00 O ATOM 795 CB LEU A 51 0.557 9.423 1.470 1.00 0.00 C ATOM 796 CG LEU A 51 0.319 8.386 2.568 1.00 0.00 C ATOM 797 CD1 LEU A 51 -1.095 7.817 2.439 1.00 0.00 C ATOM 798 CD2 LEU A 51 1.338 7.252 2.423 1.00 0.00 C ATOM 0 H LEU A 51 -0.007 10.983 -0.396 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.356 10.240 2.044 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.399 8.973 0.490 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.590 9.769 1.499 1.00 0.00 H new ATOM 0 HG LEU A 51 0.431 8.858 3.544 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.263 7.078 3.222 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.822 8.623 2.539 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.209 7.344 1.464 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.171 6.511 3.205 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.223 6.782 1.446 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.347 7.655 2.515 1.00 0.00 H new ATOM 810 N ASN A 52 0.084 11.302 3.940 1.00 0.00 N ATOM 811 CA ASN A 52 0.666 12.212 4.964 1.00 0.00 C ATOM 812 C ASN A 52 2.172 11.959 5.067 1.00 0.00 C ATOM 813 O ASN A 52 2.879 12.638 5.785 1.00 0.00 O ATOM 814 CB ASN A 52 0.008 11.945 6.319 1.00 0.00 C ATOM 815 CG ASN A 52 -1.463 12.355 6.262 1.00 0.00 C ATOM 816 OD1 ASN A 52 -2.327 11.531 6.039 1.00 0.00 O ATOM 817 ND2 ASN A 52 -1.787 13.605 6.455 1.00 0.00 N ATOM 0 H ASN A 52 -0.398 10.483 4.310 1.00 0.00 H new ATOM 0 HA ASN A 52 0.489 13.248 4.675 1.00 0.00 H new ATOM 0 HB2 ASN A 52 0.092 10.889 6.574 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.522 12.504 7.101 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.766 13.890 6.419 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.061 14.297 6.642 1.00 0.00 H new ATOM 824 N ALA A 53 2.670 10.985 4.353 1.00 0.00 N ATOM 825 CA ALA A 53 4.128 10.689 4.410 1.00 0.00 C ATOM 826 C ALA A 53 4.920 11.955 4.074 1.00 0.00 C ATOM 827 O ALA A 53 4.378 13.039 4.007 1.00 0.00 O ATOM 828 CB ALA A 53 4.463 9.597 3.392 1.00 0.00 C ATOM 0 H ALA A 53 2.129 10.382 3.733 1.00 0.00 H new ATOM 0 HA ALA A 53 4.392 10.350 5.412 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.530 9.378 3.431 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.898 8.695 3.627 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.199 9.939 2.391 1.00 0.00 H new ATOM 834 N ALA A 54 6.199 11.824 3.861 1.00 0.00 N ATOM 835 CA ALA A 54 7.027 13.016 3.526 1.00 0.00 C ATOM 836 C ALA A 54 7.975 12.665 2.379 1.00 0.00 C ATOM 837 O ALA A 54 7.773 13.060 1.248 1.00 0.00 O ATOM 838 CB ALA A 54 7.840 13.431 4.755 1.00 0.00 C ATOM 0 H ALA A 54 6.708 10.941 3.904 1.00 0.00 H new ATOM 0 HA ALA A 54 6.380 13.840 3.225 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.447 14.303 4.512 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.163 13.676 5.573 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.490 12.609 5.056 1.00 0.00 H new ATOM 844 N SER A 55 9.006 11.918 2.661 1.00 0.00 N ATOM 845 CA SER A 55 9.964 11.532 1.597 1.00 0.00 C ATOM 846 C SER A 55 9.643 10.118 1.122 1.00 0.00 C ATOM 847 O SER A 55 8.639 9.539 1.483 1.00 0.00 O ATOM 848 CB SER A 55 11.386 11.567 2.155 1.00 0.00 C ATOM 849 OG SER A 55 11.551 12.736 2.947 1.00 0.00 O ATOM 0 H SER A 55 9.224 11.558 3.590 1.00 0.00 H new ATOM 0 HA SER A 55 9.884 12.228 0.762 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.575 10.677 2.755 1.00 0.00 H new ATOM 0 HB3 SER A 55 12.109 11.561 1.340 1.00 0.00 H new ATOM 0 HG SER A 55 12.462 12.761 3.308 1.00 0.00 H new ATOM 855 N ILE A 56 10.494 9.565 0.315 1.00 0.00 N ATOM 856 CA ILE A 56 10.257 8.186 -0.193 1.00 0.00 C ATOM 857 C ILE A 56 10.286 7.201 0.979 1.00 0.00 C ATOM 858 O ILE A 56 9.278 6.631 1.348 1.00 0.00 O ATOM 859 CB ILE A 56 11.347 7.816 -1.200 1.00 0.00 C ATOM 860 CG1 ILE A 56 11.418 8.887 -2.291 1.00 0.00 C ATOM 861 CG2 ILE A 56 11.018 6.465 -1.836 1.00 0.00 C ATOM 862 CD1 ILE A 56 10.020 9.141 -2.857 1.00 0.00 C ATOM 0 H ILE A 56 11.350 10.008 -0.019 1.00 0.00 H new ATOM 0 HA ILE A 56 9.284 8.141 -0.683 1.00 0.00 H new ATOM 0 HB ILE A 56 12.307 7.753 -0.688 1.00 0.00 H new ATOM 0 HG12 ILE A 56 11.828 9.810 -1.881 1.00 0.00 H new ATOM 0 HG13 ILE A 56 12.090 8.565 -3.087 1.00 0.00 H new ATOM 0 HG21 ILE A 56 11.795 6.202 -2.554 1.00 0.00 H new ATOM 0 HG22 ILE A 56 10.966 5.701 -1.061 1.00 0.00 H new ATOM 0 HG23 ILE A 56 10.058 6.528 -2.348 1.00 0.00 H new ATOM 0 HD11 ILE A 56 10.075 9.904 -3.633 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.627 8.218 -3.283 1.00 0.00 H new ATOM 0 HD13 ILE A 56 9.361 9.482 -2.059 1.00 0.00 H new ATOM 874 N GLU A 57 11.433 6.998 1.567 1.00 0.00 N ATOM 875 CA GLU A 57 11.526 6.054 2.716 1.00 0.00 C ATOM 876 C GLU A 57 10.486 6.429 3.774 1.00 0.00 C ATOM 877 O GLU A 57 10.047 5.601 4.549 1.00 0.00 O ATOM 878 CB GLU A 57 12.927 6.132 3.328 1.00 0.00 C ATOM 879 CG GLU A 57 13.238 4.825 4.060 1.00 0.00 C ATOM 880 CD GLU A 57 14.290 4.038 3.276 1.00 0.00 C ATOM 881 OE1 GLU A 57 14.022 3.708 2.133 1.00 0.00 O ATOM 882 OE2 GLU A 57 15.344 3.778 3.832 1.00 0.00 O ATOM 0 H GLU A 57 12.310 7.445 1.301 1.00 0.00 H new ATOM 0 HA GLU A 57 11.337 5.039 2.367 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.667 6.309 2.547 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.987 6.972 4.020 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.602 5.037 5.065 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.330 4.231 4.168 1.00 0.00 H new ATOM 889 N ALA A 58 10.088 7.672 3.816 1.00 0.00 N ATOM 890 CA ALA A 58 9.078 8.098 4.828 1.00 0.00 C ATOM 891 C ALA A 58 7.735 7.436 4.517 1.00 0.00 C ATOM 892 O ALA A 58 7.166 6.742 5.338 1.00 0.00 O ATOM 893 CB ALA A 58 8.917 9.618 4.779 1.00 0.00 C ATOM 0 H ALA A 58 10.418 8.410 3.194 1.00 0.00 H new ATOM 0 HA ALA A 58 9.411 7.798 5.822 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.179 9.930 5.518 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.873 10.092 4.999 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.583 9.917 3.785 1.00 0.00 H new ATOM 899 N ALA A 59 7.224 7.644 3.335 1.00 0.00 N ATOM 900 CA ALA A 59 5.920 7.026 2.971 1.00 0.00 C ATOM 901 C ALA A 59 6.043 5.512 3.097 1.00 0.00 C ATOM 902 O ALA A 59 5.134 4.837 3.530 1.00 0.00 O ATOM 903 CB ALA A 59 5.561 7.397 1.532 1.00 0.00 C ATOM 0 H ALA A 59 7.653 8.215 2.607 1.00 0.00 H new ATOM 0 HA ALA A 59 5.137 7.390 3.637 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.606 6.944 1.267 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.485 8.481 1.444 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.336 7.031 0.858 1.00 0.00 H new ATOM 909 N MET A 60 7.171 4.982 2.731 1.00 0.00 N ATOM 910 CA MET A 60 7.386 3.513 2.830 1.00 0.00 C ATOM 911 C MET A 60 7.260 3.089 4.294 1.00 0.00 C ATOM 912 O MET A 60 6.651 2.086 4.612 1.00 0.00 O ATOM 913 CB MET A 60 8.789 3.168 2.320 1.00 0.00 C ATOM 914 CG MET A 60 8.682 2.378 1.015 1.00 0.00 C ATOM 915 SD MET A 60 10.210 2.573 0.067 1.00 0.00 S ATOM 916 CE MET A 60 9.445 2.750 -1.563 1.00 0.00 C ATOM 0 H MET A 60 7.964 5.508 2.363 1.00 0.00 H new ATOM 0 HA MET A 60 6.643 2.990 2.228 1.00 0.00 H new ATOM 0 HB2 MET A 60 9.362 4.081 2.158 1.00 0.00 H new ATOM 0 HB3 MET A 60 9.325 2.583 3.068 1.00 0.00 H new ATOM 0 HG2 MET A 60 8.506 1.324 1.229 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.832 2.731 0.432 1.00 0.00 H new ATOM 0 HE1 MET A 60 10.187 3.111 -2.276 1.00 0.00 H new ATOM 0 HE2 MET A 60 9.065 1.783 -1.893 1.00 0.00 H new ATOM 0 HE3 MET A 60 8.622 3.462 -1.503 1.00 0.00 H new ATOM 926 N ARG A 61 7.827 3.851 5.191 1.00 0.00 N ATOM 927 CA ARG A 61 7.736 3.496 6.634 1.00 0.00 C ATOM 928 C ARG A 61 6.264 3.330 7.016 1.00 0.00 C ATOM 929 O ARG A 61 5.843 2.282 7.467 1.00 0.00 O ATOM 930 CB ARG A 61 8.364 4.609 7.476 1.00 0.00 C ATOM 931 CG ARG A 61 9.134 3.991 8.644 1.00 0.00 C ATOM 932 CD ARG A 61 8.154 3.294 9.589 1.00 0.00 C ATOM 933 NE ARG A 61 8.212 3.942 10.930 1.00 0.00 N ATOM 934 CZ ARG A 61 7.109 4.204 11.577 1.00 0.00 C ATOM 935 NH1 ARG A 61 6.220 3.265 11.755 1.00 0.00 N ATOM 936 NH2 ARG A 61 6.895 5.403 12.044 1.00 0.00 N ATOM 0 H ARG A 61 8.349 4.703 4.985 1.00 0.00 H new ATOM 0 HA ARG A 61 8.270 2.564 6.818 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.034 5.210 6.862 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.589 5.278 7.850 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.868 3.276 8.272 1.00 0.00 H new ATOM 0 HG3 ARG A 61 9.685 4.764 9.180 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.142 3.352 9.188 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.403 2.236 9.673 1.00 0.00 H new ATOM 0 HE ARG A 61 9.114 4.181 11.342 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.388 2.328 11.389 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.358 3.468 12.260 1.00 0.00 H new ATOM 0 HH21 ARG A 61 7.590 6.136 11.904 1.00 0.00 H new ATOM 0 HH22 ARG A 61 6.033 5.607 12.549 1.00 0.00 H new ATOM 950 N MET A 62 5.472 4.352 6.829 1.00 0.00 N ATOM 951 CA MET A 62 4.025 4.242 7.171 1.00 0.00 C ATOM 952 C MET A 62 3.355 3.286 6.183 1.00 0.00 C ATOM 953 O MET A 62 2.537 2.465 6.548 1.00 0.00 O ATOM 954 CB MET A 62 3.369 5.619 7.074 1.00 0.00 C ATOM 955 CG MET A 62 2.029 5.598 7.809 1.00 0.00 C ATOM 956 SD MET A 62 1.342 7.273 7.860 1.00 0.00 S ATOM 957 CE MET A 62 1.155 7.494 6.073 1.00 0.00 C ATOM 0 H MET A 62 5.764 5.255 6.455 1.00 0.00 H new ATOM 0 HA MET A 62 3.913 3.864 8.187 1.00 0.00 H new ATOM 0 HB2 MET A 62 4.022 6.376 7.508 1.00 0.00 H new ATOM 0 HB3 MET A 62 3.218 5.889 6.029 1.00 0.00 H new ATOM 0 HG2 MET A 62 1.336 4.924 7.305 1.00 0.00 H new ATOM 0 HG3 MET A 62 2.163 5.218 8.822 1.00 0.00 H new ATOM 0 HE1 MET A 62 0.348 8.200 5.876 1.00 0.00 H new ATOM 0 HE2 MET A 62 2.085 7.879 5.655 1.00 0.00 H new ATOM 0 HE3 MET A 62 0.919 6.536 5.611 1.00 0.00 H new ATOM 967 N ILE A 63 3.706 3.388 4.930 1.00 0.00 N ATOM 968 CA ILE A 63 3.105 2.491 3.904 1.00 0.00 C ATOM 969 C ILE A 63 3.287 1.034 4.343 1.00 0.00 C ATOM 970 O ILE A 63 2.383 0.227 4.245 1.00 0.00 O ATOM 971 CB ILE A 63 3.807 2.732 2.554 1.00 0.00 C ATOM 972 CG1 ILE A 63 3.164 3.935 1.858 1.00 0.00 C ATOM 973 CG2 ILE A 63 3.666 1.501 1.650 1.00 0.00 C ATOM 974 CD1 ILE A 63 1.671 3.672 1.656 1.00 0.00 C ATOM 0 H ILE A 63 4.387 4.058 4.572 1.00 0.00 H new ATOM 0 HA ILE A 63 2.041 2.700 3.796 1.00 0.00 H new ATOM 0 HB ILE A 63 4.865 2.922 2.737 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.308 4.834 2.457 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.646 4.112 0.897 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.167 1.688 0.700 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.120 0.638 2.137 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.610 1.301 1.470 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.214 4.529 1.161 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.538 2.783 1.039 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.195 3.516 2.624 1.00 0.00 H new ATOM 986 N GLU A 64 4.448 0.692 4.827 1.00 0.00 N ATOM 987 CA GLU A 64 4.695 -0.708 5.271 1.00 0.00 C ATOM 988 C GLU A 64 3.777 -1.051 6.448 1.00 0.00 C ATOM 989 O GLU A 64 2.855 -1.832 6.321 1.00 0.00 O ATOM 990 CB GLU A 64 6.154 -0.849 5.707 1.00 0.00 C ATOM 991 CG GLU A 64 6.680 -2.229 5.308 1.00 0.00 C ATOM 992 CD GLU A 64 8.139 -2.363 5.746 1.00 0.00 C ATOM 993 OE1 GLU A 64 8.379 -2.383 6.942 1.00 0.00 O ATOM 994 OE2 GLU A 64 8.992 -2.442 4.877 1.00 0.00 O ATOM 0 H GLU A 64 5.240 1.325 4.935 1.00 0.00 H new ATOM 0 HA GLU A 64 4.489 -1.390 4.446 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.759 -0.070 5.243 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.236 -0.716 6.786 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.076 -3.009 5.773 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.599 -2.363 4.229 1.00 0.00 H new ATOM 1001 N GLY A 65 4.032 -0.479 7.594 1.00 0.00 N ATOM 1002 CA GLY A 65 3.183 -0.776 8.785 1.00 0.00 C ATOM 1003 C GLY A 65 1.709 -0.802 8.377 1.00 0.00 C ATOM 1004 O GLY A 65 0.897 -1.462 8.996 1.00 0.00 O ATOM 0 H GLY A 65 4.792 0.182 7.757 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.468 -1.736 9.216 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.343 -0.021 9.555 1.00 0.00 H new ATOM 1008 N THR A 66 1.353 -0.089 7.345 1.00 0.00 N ATOM 1009 CA THR A 66 -0.070 -0.076 6.908 1.00 0.00 C ATOM 1010 C THR A 66 -0.403 -1.395 6.204 1.00 0.00 C ATOM 1011 O THR A 66 -1.400 -2.027 6.492 1.00 0.00 O ATOM 1012 CB THR A 66 -0.300 1.090 5.944 1.00 0.00 C ATOM 1013 OG1 THR A 66 -0.061 2.317 6.623 1.00 0.00 O ATOM 1014 CG2 THR A 66 -1.742 1.057 5.436 1.00 0.00 C ATOM 0 H THR A 66 1.985 0.484 6.786 1.00 0.00 H new ATOM 0 HA THR A 66 -0.714 0.042 7.779 1.00 0.00 H new ATOM 0 HB THR A 66 0.382 1.004 5.098 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.798 2.689 6.334 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.905 1.888 4.749 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.923 0.116 4.917 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.427 1.144 6.279 1.00 0.00 H new ATOM 1022 N ALA A 67 0.420 -1.814 5.282 1.00 0.00 N ATOM 1023 CA ALA A 67 0.145 -3.089 4.560 1.00 0.00 C ATOM 1024 C ALA A 67 0.040 -4.243 5.561 1.00 0.00 C ATOM 1025 O ALA A 67 -0.683 -5.196 5.349 1.00 0.00 O ATOM 1026 CB ALA A 67 1.280 -3.375 3.576 1.00 0.00 C ATOM 0 H ALA A 67 1.271 -1.329 4.997 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.796 -2.995 4.018 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.078 -4.307 3.049 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.352 -2.559 2.857 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.220 -3.462 4.120 1.00 0.00 H new ATOM 1032 N ARG A 68 0.759 -4.172 6.647 1.00 0.00 N ATOM 1033 CA ARG A 68 0.700 -5.273 7.650 1.00 0.00 C ATOM 1034 C ARG A 68 -0.739 -5.446 8.141 1.00 0.00 C ATOM 1035 O ARG A 68 -1.096 -6.464 8.697 1.00 0.00 O ATOM 1036 CB ARG A 68 1.607 -4.939 8.834 1.00 0.00 C ATOM 1037 CG ARG A 68 2.935 -5.684 8.685 1.00 0.00 C ATOM 1038 CD ARG A 68 2.846 -7.036 9.395 1.00 0.00 C ATOM 1039 NE ARG A 68 4.049 -7.227 10.253 1.00 0.00 N ATOM 1040 CZ ARG A 68 3.911 -7.533 11.514 1.00 0.00 C ATOM 1041 NH1 ARG A 68 3.044 -6.895 12.251 1.00 0.00 N ATOM 1042 NH2 ARG A 68 4.640 -8.480 12.038 1.00 0.00 N ATOM 0 H ARG A 68 1.384 -3.401 6.883 1.00 0.00 H new ATOM 0 HA ARG A 68 1.037 -6.200 7.186 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.784 -3.864 8.879 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.122 -5.222 9.768 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.165 -5.830 7.630 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.746 -5.092 9.109 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.942 -7.081 10.003 1.00 0.00 H new ATOM 0 HD3 ARG A 68 2.778 -7.840 8.662 1.00 0.00 H new ATOM 0 HE ARG A 68 4.982 -7.118 9.854 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.473 -6.156 11.842 1.00 0.00 H new ATOM 0 HH12 ARG A 68 2.937 -7.135 13.236 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.317 -8.980 11.462 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.533 -8.720 13.024 1.00 0.00 H new ATOM 1056 N SER A 69 -1.568 -4.459 7.940 1.00 0.00 N ATOM 1057 CA SER A 69 -2.983 -4.576 8.396 1.00 0.00 C ATOM 1058 C SER A 69 -3.752 -5.488 7.436 1.00 0.00 C ATOM 1059 O SER A 69 -4.875 -5.872 7.696 1.00 0.00 O ATOM 1060 CB SER A 69 -3.630 -3.190 8.412 1.00 0.00 C ATOM 1061 OG SER A 69 -3.724 -2.700 7.082 1.00 0.00 O ATOM 0 H SER A 69 -1.329 -3.580 7.482 1.00 0.00 H new ATOM 0 HA SER A 69 -3.009 -4.999 9.400 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.621 -3.244 8.863 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.039 -2.507 9.022 1.00 0.00 H new ATOM 0 HG SER A 69 -3.003 -2.057 6.918 1.00 0.00 H new ATOM 1067 N MET A 70 -3.154 -5.836 6.329 1.00 0.00 N ATOM 1068 CA MET A 70 -3.844 -6.723 5.350 1.00 0.00 C ATOM 1069 C MET A 70 -3.006 -7.977 5.122 1.00 0.00 C ATOM 1070 O MET A 70 -3.498 -9.087 5.166 1.00 0.00 O ATOM 1071 CB MET A 70 -3.997 -5.993 4.017 1.00 0.00 C ATOM 1072 CG MET A 70 -5.018 -4.863 4.159 1.00 0.00 C ATOM 1073 SD MET A 70 -5.817 -4.567 2.562 1.00 0.00 S ATOM 1074 CE MET A 70 -4.307 -4.377 1.584 1.00 0.00 C ATOM 0 H MET A 70 -2.215 -5.543 6.060 1.00 0.00 H new ATOM 0 HA MET A 70 -4.824 -6.993 5.743 1.00 0.00 H new ATOM 0 HB2 MET A 70 -3.035 -5.589 3.701 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.319 -6.691 3.244 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.765 -5.125 4.908 1.00 0.00 H new ATOM 0 HG3 MET A 70 -4.525 -3.954 4.505 1.00 0.00 H new ATOM 0 HE1 MET A 70 -4.514 -3.756 0.712 1.00 0.00 H new ATOM 0 HE2 MET A 70 -3.537 -3.903 2.192 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.960 -5.357 1.257 1.00 0.00 H new ATOM 1084 N GLY A 71 -1.740 -7.802 4.872 1.00 0.00 N ATOM 1085 CA GLY A 71 -0.862 -8.979 4.631 1.00 0.00 C ATOM 1086 C GLY A 71 0.092 -8.705 3.458 1.00 0.00 C ATOM 1087 O GLY A 71 0.732 -9.605 2.948 1.00 0.00 O ATOM 0 H GLY A 71 -1.275 -6.895 4.824 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.288 -9.203 5.530 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -1.471 -9.857 4.415 1.00 0.00 H new ATOM 1091 N ILE A 72 0.200 -7.474 3.028 1.00 0.00 N ATOM 1092 CA ILE A 72 1.118 -7.157 1.898 1.00 0.00 C ATOM 1093 C ILE A 72 2.506 -6.844 2.457 1.00 0.00 C ATOM 1094 O ILE A 72 2.856 -5.700 2.668 1.00 0.00 O ATOM 1095 CB ILE A 72 0.592 -5.941 1.133 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -0.938 -5.937 1.159 1.00 0.00 C ATOM 1097 CG2 ILE A 72 1.075 -6.004 -0.318 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -1.466 -7.256 0.592 1.00 0.00 C ATOM 0 H ILE A 72 -0.308 -6.677 3.411 1.00 0.00 H new ATOM 0 HA ILE A 72 1.174 -8.010 1.222 1.00 0.00 H new ATOM 0 HB ILE A 72 0.964 -5.031 1.604 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.294 -5.801 2.180 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.319 -5.100 0.574 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.701 -5.138 -0.864 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.165 -6.003 -0.339 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.704 -6.916 -0.786 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.556 -7.250 0.612 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.122 -7.374 -0.436 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.097 -8.085 1.195 1.00 0.00 H new ATOM 1110 N VAL A 73 3.298 -7.849 2.706 1.00 0.00 N ATOM 1111 CA VAL A 73 4.657 -7.607 3.261 1.00 0.00 C ATOM 1112 C VAL A 73 5.528 -6.902 2.220 1.00 0.00 C ATOM 1113 O VAL A 73 5.206 -6.857 1.048 1.00 0.00 O ATOM 1114 CB VAL A 73 5.296 -8.944 3.633 1.00 0.00 C ATOM 1115 CG1 VAL A 73 6.549 -8.693 4.475 1.00 0.00 C ATOM 1116 CG2 VAL A 73 4.298 -9.777 4.440 1.00 0.00 C ATOM 0 H VAL A 73 3.062 -8.829 2.549 1.00 0.00 H new ATOM 0 HA VAL A 73 4.576 -6.977 4.146 1.00 0.00 H new ATOM 0 HB VAL A 73 5.570 -9.482 2.726 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.006 -9.646 4.741 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.260 -8.098 3.901 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.276 -8.156 5.383 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.752 -10.731 4.706 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.025 -9.239 5.348 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.405 -9.955 3.841 1.00 0.00 H new ATOM 1126 N VAL A 74 6.632 -6.356 2.644 1.00 0.00 N ATOM 1127 CA VAL A 74 7.541 -5.655 1.693 1.00 0.00 C ATOM 1128 C VAL A 74 8.988 -5.842 2.149 1.00 0.00 C ATOM 1129 O VAL A 74 9.352 -5.483 3.252 1.00 0.00 O ATOM 1130 CB VAL A 74 7.204 -4.163 1.662 1.00 0.00 C ATOM 1131 CG1 VAL A 74 7.746 -3.548 0.369 1.00 0.00 C ATOM 1132 CG2 VAL A 74 5.686 -3.981 1.714 1.00 0.00 C ATOM 0 H VAL A 74 6.947 -6.365 3.614 1.00 0.00 H new ATOM 0 HA VAL A 74 7.414 -6.072 0.694 1.00 0.00 H new ATOM 0 HB VAL A 74 7.658 -3.669 2.521 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.507 -2.485 0.344 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.827 -3.678 0.330 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.290 -4.043 -0.488 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.446 -2.918 1.692 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.231 -4.474 0.855 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.298 -4.422 2.632 1.00 0.00 H new ATOM 1142 N GLU A 75 9.816 -6.405 1.314 1.00 0.00 N ATOM 1143 CA GLU A 75 11.238 -6.619 1.708 1.00 0.00 C ATOM 1144 C GLU A 75 12.164 -6.125 0.594 1.00 0.00 C ATOM 1145 O GLU A 75 12.398 -6.812 -0.380 1.00 0.00 O ATOM 1146 CB GLU A 75 11.481 -8.110 1.949 1.00 0.00 C ATOM 1147 CG GLU A 75 11.698 -8.359 3.443 1.00 0.00 C ATOM 1148 CD GLU A 75 12.285 -9.756 3.649 1.00 0.00 C ATOM 1149 OE1 GLU A 75 11.543 -10.714 3.525 1.00 0.00 O ATOM 1150 OE2 GLU A 75 13.471 -9.843 3.928 1.00 0.00 O ATOM 0 H GLU A 75 9.571 -6.726 0.377 1.00 0.00 H new ATOM 0 HA GLU A 75 11.446 -6.062 2.622 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.629 -8.690 1.593 1.00 0.00 H new ATOM 0 HB3 GLU A 75 12.352 -8.443 1.384 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.371 -7.606 3.854 1.00 0.00 H new ATOM 0 HG3 GLU A 75 10.753 -8.268 3.978 1.00 0.00 H new ATOM 1157 N ASP A 76 12.691 -4.937 0.737 1.00 0.00 N ATOM 1158 CA ASP A 76 13.604 -4.386 -0.307 1.00 0.00 C ATOM 1159 C ASP A 76 13.069 -4.735 -1.697 1.00 0.00 C ATOM 1160 O ASP A 76 13.848 -4.701 -2.635 1.00 0.00 O ATOM 1161 CB ASP A 76 15.003 -4.982 -0.133 1.00 0.00 C ATOM 1162 CG ASP A 76 15.981 -4.261 -1.060 1.00 0.00 C ATOM 1163 OD1 ASP A 76 15.774 -3.084 -1.307 1.00 0.00 O ATOM 1164 OD2 ASP A 76 16.922 -4.896 -1.506 1.00 0.00 O ATOM 1165 OXT ASP A 76 11.890 -5.032 -1.798 1.00 0.00 O ATOM 0 H ASP A 76 12.528 -4.323 1.535 1.00 0.00 H new ATOM 0 HA ASP A 76 13.656 -3.302 -0.202 1.00 0.00 H new ATOM 0 HB2 ASP A 76 15.326 -4.882 0.903 1.00 0.00 H new ATOM 0 HB3 ASP A 76 14.987 -6.048 -0.361 1.00 0.00 H new