USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 554 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 40 TYR OH : rot 30:sc= -0.902 USER MOD Set 1.2: A 82 TYR OH : rot -51:sc= 1.27 USER MOD Set 2.1: A 14 TYR OH : rot 56:sc= 0.933 USER MOD Set 2.2: A 44 GLN :FLIP amide:sc= 0.676 F(o=-1.4,f=1.6) USER MOD Single : A 11 ASN : amide:sc= -1.8! C(o=-1.8!,f=-1.8!) USER MOD Single : A 37 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0108) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.912 K(o=-0.91,f=-2.1!) USER MOD Single : A 46 GLN : amide:sc= -0.207 K(o=-0.21,f=-2.9!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -158:sc= -0.113 (180deg=-0.516) USER MOD Single : A 53 ASN : amide:sc= -0.28 X(o=-0.28,f=-0.67) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 73:sc= -1.44 USER MOD Single : A 70 ASN : amide:sc= -6.05! C(o=-6!,f=-9.3!) USER MOD Single : A 73 ASN : amide:sc= -0.686 X(o=-0.69,f=-0.65) USER MOD Single : A 75 THR OG1 : rot 24:sc= 0.185 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 97:sc= 1.9 USER MOD Single : A 81 ASN : amide:sc= -0.696 K(o=-0.7,f=-1.4) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 73 N ARG A 5 -8.919 -3.352 12.527 1.00 23.02 N ATOM 74 CA ARG A 5 -8.150 -2.457 11.673 1.00 1.44 C ATOM 75 C ARG A 5 -7.010 -3.204 10.987 1.00 23.21 C ATOM 76 O ARG A 5 -6.596 -4.281 11.416 1.00 53.55 O ATOM 77 CB ARG A 5 -7.591 -1.292 12.491 1.00 5.33 C ATOM 78 CG ARG A 5 -8.399 -0.011 12.363 1.00 33.31 C ATOM 79 CD ARG A 5 -8.186 0.906 13.557 1.00 31.32 C ATOM 80 NE ARG A 5 -9.001 2.115 13.471 1.00 23.40 N ATOM 81 CZ ARG A 5 -9.208 2.935 14.496 1.00 51.21 C ATOM 82 NH1 ARG A 5 -8.663 2.678 15.676 1.00 35.30 N ATOM 83 NH2 ARG A 5 -9.963 4.015 14.339 1.00 44.42 N ATOM 0 HA ARG A 5 -8.818 -2.066 10.906 1.00 1.44 H new ATOM 0 HB2 ARG A 5 -7.552 -1.583 13.541 1.00 5.33 H new ATOM 0 HB3 ARG A 5 -6.566 -1.097 12.176 1.00 5.33 H new ATOM 0 HG2 ARG A 5 -8.115 0.509 11.448 1.00 33.31 H new ATOM 0 HG3 ARG A 5 -9.458 -0.255 12.275 1.00 33.31 H new ATOM 0 HD2 ARG A 5 -8.429 0.369 14.474 1.00 31.32 H new ATOM 0 HD3 ARG A 5 -7.133 1.182 13.619 1.00 31.32 H new ATOM 0 HE ARG A 5 -9.435 2.342 12.576 1.00 23.40 H new ATOM 0 HH11 ARG A 5 -8.082 1.849 15.800 1.00 35.30 H new ATOM 0 HH12 ARG A 5 -8.824 3.310 16.461 1.00 35.30 H new ATOM 0 HH21 ARG A 5 -10.384 4.215 13.432 1.00 44.42 H new ATOM 0 HH22 ARG A 5 -10.122 4.645 15.125 1.00 44.42 H new ATOM 97 N PRO A 6 -6.490 -2.622 9.897 1.00 23.31 N ATOM 98 CA PRO A 6 -5.392 -3.216 9.130 1.00 2.23 C ATOM 99 C PRO A 6 -4.071 -3.190 9.892 1.00 31.02 C ATOM 100 O PRO A 6 -3.931 -2.520 10.917 1.00 42.13 O ATOM 101 CB PRO A 6 -5.307 -2.327 7.887 1.00 54.23 C ATOM 102 CG PRO A 6 -5.871 -1.016 8.317 1.00 61.25 C ATOM 103 CD PRO A 6 -6.935 -1.337 9.330 1.00 25.10 C ATOM 0 HA PRO A 6 -5.573 -4.268 8.909 1.00 2.23 H new ATOM 0 HB2 PRO A 6 -4.277 -2.222 7.546 1.00 54.23 H new ATOM 0 HB3 PRO A 6 -5.876 -2.750 7.059 1.00 54.23 H new ATOM 0 HG2 PRO A 6 -5.098 -0.382 8.750 1.00 61.25 H new ATOM 0 HG3 PRO A 6 -6.290 -0.474 7.469 1.00 61.25 H new ATOM 0 HD2 PRO A 6 -7.008 -0.564 10.095 1.00 25.10 H new ATOM 0 HD3 PRO A 6 -7.918 -1.421 8.867 1.00 25.10 H new ATOM 111 N PRO A 7 -3.079 -3.934 9.384 1.00 63.12 N ATOM 112 CA PRO A 7 -1.752 -4.014 10.002 1.00 43.53 C ATOM 113 C PRO A 7 -0.973 -2.711 9.869 1.00 4.24 C ATOM 114 O PRO A 7 -1.352 -1.804 9.126 1.00 11.42 O ATOM 115 CB PRO A 7 -1.060 -5.131 9.216 1.00 34.40 C ATOM 116 CG PRO A 7 -1.748 -5.147 7.895 1.00 34.32 C ATOM 117 CD PRO A 7 -3.176 -4.757 8.166 1.00 24.42 C ATOM 0 HA PRO A 7 -1.813 -4.203 11.074 1.00 43.53 H new ATOM 0 HB2 PRO A 7 0.006 -4.935 9.105 1.00 34.40 H new ATOM 0 HB3 PRO A 7 -1.156 -6.091 9.724 1.00 34.40 H new ATOM 0 HG2 PRO A 7 -1.278 -4.449 7.202 1.00 34.32 H new ATOM 0 HG3 PRO A 7 -1.693 -6.135 7.439 1.00 34.32 H new ATOM 0 HD2 PRO A 7 -3.604 -4.196 7.335 1.00 24.42 H new ATOM 0 HD3 PRO A 7 -3.809 -5.631 8.321 1.00 24.42 H new ATOM 125 N PRO A 8 0.143 -2.608 10.606 1.00 60.24 N ATOM 126 CA PRO A 8 1.000 -1.419 10.587 1.00 12.22 C ATOM 127 C PRO A 8 1.743 -1.260 9.264 1.00 33.22 C ATOM 128 O PRO A 8 1.575 -2.063 8.348 1.00 55.22 O ATOM 129 CB PRO A 8 1.988 -1.676 11.727 1.00 45.33 C ATOM 130 CG PRO A 8 2.034 -3.158 11.862 1.00 71.44 C ATOM 131 CD PRO A 8 0.655 -3.649 11.514 1.00 62.03 C ATOM 0 HA PRO A 8 0.425 -0.500 10.702 1.00 12.22 H new ATOM 0 HB2 PRO A 8 2.973 -1.269 11.497 1.00 45.33 H new ATOM 0 HB3 PRO A 8 1.656 -1.204 12.652 1.00 45.33 H new ATOM 0 HG2 PRO A 8 2.781 -3.588 11.195 1.00 71.44 H new ATOM 0 HG3 PRO A 8 2.307 -3.449 12.876 1.00 71.44 H new ATOM 0 HD2 PRO A 8 0.686 -4.625 11.030 1.00 62.03 H new ATOM 0 HD3 PRO A 8 0.029 -3.753 12.401 1.00 62.03 H new ATOM 139 N VAL A 9 2.562 -0.218 9.172 1.00 33.05 N ATOM 140 CA VAL A 9 3.331 0.046 7.962 1.00 4.01 C ATOM 141 C VAL A 9 4.254 -1.122 7.632 1.00 53.11 C ATOM 142 O VAL A 9 4.858 -1.736 8.513 1.00 74.14 O ATOM 143 CB VAL A 9 4.172 1.329 8.100 1.00 64.33 C ATOM 144 CG1 VAL A 9 3.288 2.561 7.994 1.00 35.00 C ATOM 145 CG2 VAL A 9 4.939 1.323 9.413 1.00 23.41 C ATOM 0 H VAL A 9 2.710 0.458 9.921 1.00 33.05 H new ATOM 0 HA VAL A 9 2.613 0.177 7.153 1.00 4.01 H new ATOM 0 HB VAL A 9 4.894 1.360 7.284 1.00 64.33 H new ATOM 0 HG11 VAL A 9 3.900 3.458 8.094 1.00 35.00 H new ATOM 0 HG12 VAL A 9 2.789 2.568 7.025 1.00 35.00 H new ATOM 0 HG13 VAL A 9 2.540 2.542 8.787 1.00 35.00 H new ATOM 0 HG21 VAL A 9 5.528 2.237 9.494 1.00 23.41 H new ATOM 0 HG22 VAL A 9 4.236 1.269 10.245 1.00 23.41 H new ATOM 0 HG23 VAL A 9 5.603 0.459 9.442 1.00 23.41 H new ATOM 155 N PRO A 10 4.369 -1.437 6.334 1.00 15.53 N ATOM 156 CA PRO A 10 5.218 -2.533 5.857 1.00 44.11 C ATOM 157 C PRO A 10 6.703 -2.226 6.015 1.00 4.44 C ATOM 158 O PRO A 10 7.401 -1.966 5.035 1.00 73.31 O ATOM 159 CB PRO A 10 4.850 -2.646 4.376 1.00 63.24 C ATOM 160 CG PRO A 10 4.354 -1.294 4.002 1.00 11.33 C ATOM 161 CD PRO A 10 3.680 -0.746 5.231 1.00 55.21 C ATOM 0 HA PRO A 10 5.056 -3.451 6.422 1.00 44.11 H new ATOM 0 HB2 PRO A 10 5.713 -2.931 3.775 1.00 63.24 H new ATOM 0 HB3 PRO A 10 4.085 -3.406 4.216 1.00 63.24 H new ATOM 0 HG2 PRO A 10 5.175 -0.650 3.687 1.00 11.33 H new ATOM 0 HG3 PRO A 10 3.656 -1.351 3.167 1.00 11.33 H new ATOM 0 HD2 PRO A 10 3.792 0.336 5.302 1.00 55.21 H new ATOM 0 HD3 PRO A 10 2.611 -0.956 5.231 1.00 55.21 H new ATOM 169 N ASN A 11 7.180 -2.256 7.255 1.00 4.11 N ATOM 170 CA ASN A 11 8.585 -1.980 7.540 1.00 33.33 C ATOM 171 C ASN A 11 9.112 -0.865 6.645 1.00 44.40 C ATOM 172 O ASN A 11 9.743 -1.107 5.617 1.00 2.33 O ATOM 173 CB ASN A 11 9.423 -3.246 7.347 1.00 13.14 C ATOM 174 CG ASN A 11 8.983 -4.053 6.142 1.00 14.43 C ATOM 175 OD1 ASN A 11 8.115 -4.919 6.244 1.00 15.02 O ATOM 176 ND2 ASN A 11 9.582 -3.771 4.991 1.00 13.41 N ATOM 0 H ASN A 11 6.616 -2.468 8.078 1.00 4.11 H new ATOM 0 HA ASN A 11 8.664 -1.655 8.577 1.00 33.33 H new ATOM 0 HB2 ASN A 11 10.471 -2.970 7.233 1.00 13.14 H new ATOM 0 HB3 ASN A 11 9.352 -3.865 8.241 1.00 13.14 H new ATOM 0 HD21 ASN A 11 9.327 -4.281 4.145 1.00 13.41 H new ATOM 0 HD22 ASN A 11 10.297 -3.044 4.953 1.00 13.41 H new ATOM 183 N PRO A 12 8.851 0.389 7.045 1.00 45.41 N ATOM 184 CA PRO A 12 9.293 1.568 6.294 1.00 52.24 C ATOM 185 C PRO A 12 10.804 1.760 6.353 1.00 54.21 C ATOM 186 O PRO A 12 11.416 1.628 7.413 1.00 22.32 O ATOM 187 CB PRO A 12 8.579 2.725 6.998 1.00 70.31 C ATOM 188 CG PRO A 12 8.336 2.233 8.383 1.00 1.01 C ATOM 189 CD PRO A 12 8.106 0.752 8.261 1.00 34.14 C ATOM 0 HA PRO A 12 9.058 1.487 5.233 1.00 52.24 H new ATOM 0 HB2 PRO A 12 9.192 3.626 7.000 1.00 70.31 H new ATOM 0 HB3 PRO A 12 7.644 2.977 6.497 1.00 70.31 H new ATOM 0 HG2 PRO A 12 9.189 2.444 9.028 1.00 1.01 H new ATOM 0 HG3 PRO A 12 7.472 2.727 8.827 1.00 1.01 H new ATOM 0 HD2 PRO A 12 8.476 0.215 9.134 1.00 34.14 H new ATOM 0 HD3 PRO A 12 7.046 0.517 8.168 1.00 34.14 H new ATOM 197 N ASP A 13 11.401 2.073 5.208 1.00 21.35 N ATOM 198 CA ASP A 13 12.841 2.286 5.130 1.00 45.45 C ATOM 199 C ASP A 13 13.159 3.612 4.447 1.00 10.35 C ATOM 200 O ASP A 13 13.855 3.650 3.432 1.00 74.53 O ATOM 201 CB ASP A 13 13.508 1.136 4.373 1.00 11.11 C ATOM 202 CG ASP A 13 14.942 0.909 4.809 1.00 1.15 C ATOM 203 OD1 ASP A 13 15.563 -0.060 4.324 1.00 31.12 O ATOM 204 OD2 ASP A 13 15.442 1.700 5.634 1.00 44.21 O ATOM 0 H ASP A 13 10.910 2.185 4.321 1.00 21.35 H new ATOM 0 HA ASP A 13 13.233 2.318 6.146 1.00 45.45 H new ATOM 0 HB2 ASP A 13 12.935 0.222 4.529 1.00 11.11 H new ATOM 0 HB3 ASP A 13 13.486 1.348 3.304 1.00 11.11 H new ATOM 210 N TYR A 14 12.643 4.699 5.010 1.00 5.02 N ATOM 211 CA TYR A 14 12.869 6.029 4.454 1.00 44.02 C ATOM 212 C TYR A 14 13.991 6.747 5.196 1.00 45.12 C ATOM 213 O TYR A 14 14.571 7.707 4.689 1.00 34.42 O ATOM 214 CB TYR A 14 11.585 6.859 4.522 1.00 60.54 C ATOM 215 CG TYR A 14 10.946 6.873 5.893 1.00 60.32 C ATOM 216 CD1 TYR A 14 11.564 7.511 6.963 1.00 52.31 C ATOM 217 CD2 TYR A 14 9.726 6.249 6.118 1.00 62.30 C ATOM 218 CE1 TYR A 14 10.983 7.526 8.216 1.00 73.11 C ATOM 219 CE2 TYR A 14 9.138 6.259 7.369 1.00 33.25 C ATOM 220 CZ TYR A 14 9.771 6.898 8.414 1.00 10.23 C ATOM 221 OH TYR A 14 9.189 6.913 9.662 1.00 40.33 O ATOM 0 H TYR A 14 12.066 4.686 5.851 1.00 5.02 H new ATOM 0 HA TYR A 14 13.164 5.913 3.411 1.00 44.02 H new ATOM 0 HB2 TYR A 14 11.808 7.883 4.224 1.00 60.54 H new ATOM 0 HB3 TYR A 14 10.869 6.466 3.800 1.00 60.54 H new ATOM 0 HD1 TYR A 14 12.514 8.003 6.812 1.00 52.31 H new ATOM 0 HD2 TYR A 14 9.228 5.747 5.302 1.00 62.30 H new ATOM 0 HE1 TYR A 14 11.475 8.027 9.037 1.00 73.11 H new ATOM 0 HE2 TYR A 14 8.188 5.769 7.527 1.00 33.25 H new ATOM 0 HH TYR A 14 9.083 7.840 9.962 1.00 40.33 H new ATOM 491 N GLU A 31 4.287 8.437 -16.518 1.00 12.12 N ATOM 492 CA GLU A 31 2.977 9.018 -16.245 1.00 4.44 C ATOM 493 C GLU A 31 2.048 7.992 -15.608 1.00 32.30 C ATOM 494 O GLU A 31 1.065 7.565 -16.216 1.00 10.14 O ATOM 495 CB GLU A 31 2.355 9.556 -17.535 1.00 15.41 C ATOM 496 CG GLU A 31 3.319 10.368 -18.385 1.00 15.12 C ATOM 497 CD GLU A 31 3.789 9.615 -19.615 1.00 35.31 C ATOM 498 OE1 GLU A 31 2.944 8.976 -20.279 1.00 25.12 O ATOM 499 OE2 GLU A 31 4.999 9.664 -19.914 1.00 24.03 O ATOM 0 HA GLU A 31 3.112 9.842 -15.544 1.00 4.44 H new ATOM 0 HB2 GLU A 31 1.981 8.719 -18.124 1.00 15.41 H new ATOM 0 HB3 GLU A 31 1.496 10.177 -17.282 1.00 15.41 H new ATOM 0 HG2 GLU A 31 2.834 11.294 -18.694 1.00 15.12 H new ATOM 0 HG3 GLU A 31 4.183 10.647 -17.782 1.00 15.12 H new ATOM 506 N VAL A 32 2.364 7.597 -14.379 1.00 22.20 N ATOM 507 CA VAL A 32 1.557 6.619 -13.657 1.00 43.01 C ATOM 508 C VAL A 32 0.760 7.283 -12.539 1.00 32.32 C ATOM 509 O VAL A 32 1.124 8.356 -12.057 1.00 11.21 O ATOM 510 CB VAL A 32 2.431 5.504 -13.058 1.00 63.41 C ATOM 511 CG1 VAL A 32 1.569 4.337 -12.599 1.00 4.22 C ATOM 512 CG2 VAL A 32 3.474 5.044 -14.065 1.00 41.03 C ATOM 0 H VAL A 32 3.174 7.939 -13.862 1.00 22.20 H new ATOM 0 HA VAL A 32 0.868 6.181 -14.379 1.00 43.01 H new ATOM 0 HB VAL A 32 2.952 5.904 -12.188 1.00 63.41 H new ATOM 0 HG11 VAL A 32 2.205 3.558 -12.178 1.00 4.22 H new ATOM 0 HG12 VAL A 32 0.866 4.680 -11.840 1.00 4.22 H new ATOM 0 HG13 VAL A 32 1.018 3.935 -13.449 1.00 4.22 H new ATOM 0 HG21 VAL A 32 4.083 4.255 -13.624 1.00 41.03 H new ATOM 0 HG22 VAL A 32 2.976 4.662 -14.956 1.00 41.03 H new ATOM 0 HG23 VAL A 32 4.112 5.885 -14.338 1.00 41.03 H new ATOM 522 N ILE A 33 -0.327 6.637 -12.131 1.00 12.44 N ATOM 523 CA ILE A 33 -1.174 7.163 -11.069 1.00 12.11 C ATOM 524 C ILE A 33 -1.654 6.049 -10.145 1.00 1.11 C ATOM 525 O ILE A 33 -2.086 4.991 -10.603 1.00 45.35 O ATOM 526 CB ILE A 33 -2.397 7.904 -11.640 1.00 34.42 C ATOM 527 CG1 ILE A 33 -1.962 9.198 -12.330 1.00 22.14 C ATOM 528 CG2 ILE A 33 -3.401 8.199 -10.535 1.00 23.33 C ATOM 529 CD1 ILE A 33 -3.098 9.937 -13.002 1.00 32.32 C ATOM 0 H ILE A 33 -0.642 5.748 -12.520 1.00 12.44 H new ATOM 0 HA ILE A 33 -0.566 7.866 -10.500 1.00 12.11 H new ATOM 0 HB ILE A 33 -2.877 7.264 -12.380 1.00 34.42 H new ATOM 0 HG12 ILE A 33 -1.498 9.854 -11.594 1.00 22.14 H new ATOM 0 HG13 ILE A 33 -1.201 8.965 -13.074 1.00 22.14 H new ATOM 0 HG21 ILE A 33 -4.260 8.723 -10.954 1.00 23.33 H new ATOM 0 HG22 ILE A 33 -3.731 7.263 -10.084 1.00 23.33 H new ATOM 0 HG23 ILE A 33 -2.932 8.822 -9.774 1.00 23.33 H new ATOM 0 HD11 ILE A 33 -2.716 10.844 -13.470 1.00 32.32 H new ATOM 0 HD12 ILE A 33 -3.548 9.299 -13.762 1.00 32.32 H new ATOM 0 HD13 ILE A 33 -3.850 10.202 -12.259 1.00 32.32 H new ATOM 541 N VAL A 34 -1.577 6.294 -8.842 1.00 60.21 N ATOM 542 CA VAL A 34 -2.006 5.313 -7.852 1.00 43.32 C ATOM 543 C VAL A 34 -3.225 5.807 -7.081 1.00 61.03 C ATOM 544 O VAL A 34 -3.530 6.999 -7.081 1.00 31.34 O ATOM 545 CB VAL A 34 -0.877 4.991 -6.855 1.00 32.22 C ATOM 546 CG1 VAL A 34 -0.726 6.112 -5.838 1.00 1.53 C ATOM 547 CG2 VAL A 34 -1.142 3.663 -6.160 1.00 14.33 C ATOM 0 H VAL A 34 -1.221 7.164 -8.446 1.00 60.21 H new ATOM 0 HA VAL A 34 -2.268 4.406 -8.398 1.00 43.32 H new ATOM 0 HB VAL A 34 0.058 4.906 -7.408 1.00 32.22 H new ATOM 0 HG11 VAL A 34 0.076 5.866 -5.142 1.00 1.53 H new ATOM 0 HG12 VAL A 34 -0.487 7.042 -6.354 1.00 1.53 H new ATOM 0 HG13 VAL A 34 -1.659 6.232 -5.288 1.00 1.53 H new ATOM 0 HG21 VAL A 34 -0.334 3.452 -5.459 1.00 14.33 H new ATOM 0 HG22 VAL A 34 -2.087 3.718 -5.619 1.00 14.33 H new ATOM 0 HG23 VAL A 34 -1.195 2.868 -6.903 1.00 14.33 H new ATOM 557 N ILE A 35 -3.918 4.882 -6.425 1.00 62.33 N ATOM 558 CA ILE A 35 -5.103 5.223 -5.649 1.00 2.20 C ATOM 559 C ILE A 35 -4.963 4.763 -4.200 1.00 10.41 C ATOM 560 O ILE A 35 -4.642 3.605 -3.935 1.00 43.14 O ATOM 561 CB ILE A 35 -6.372 4.596 -6.254 1.00 11.23 C ATOM 562 CG1 ILE A 35 -6.368 4.750 -7.776 1.00 15.25 C ATOM 563 CG2 ILE A 35 -7.616 5.237 -5.655 1.00 61.32 C ATOM 564 CD1 ILE A 35 -6.248 6.187 -8.238 1.00 75.15 C ATOM 0 H ILE A 35 -3.679 3.891 -6.416 1.00 62.33 H new ATOM 0 HA ILE A 35 -5.196 6.309 -5.676 1.00 2.20 H new ATOM 0 HB ILE A 35 -6.383 3.532 -6.015 1.00 11.23 H new ATOM 0 HG12 ILE A 35 -5.540 4.174 -8.189 1.00 15.25 H new ATOM 0 HG13 ILE A 35 -7.286 4.323 -8.179 1.00 15.25 H new ATOM 0 HG21 ILE A 35 -8.505 4.784 -6.092 1.00 61.32 H new ATOM 0 HG22 ILE A 35 -7.622 5.081 -4.576 1.00 61.32 H new ATOM 0 HG23 ILE A 35 -7.612 6.306 -5.867 1.00 61.32 H new ATOM 0 HD11 ILE A 35 -6.252 6.220 -9.327 1.00 75.15 H new ATOM 0 HD12 ILE A 35 -7.089 6.764 -7.854 1.00 75.15 H new ATOM 0 HD13 ILE A 35 -5.316 6.612 -7.865 1.00 75.15 H new ATOM 576 N ALA A 36 -5.209 5.679 -3.269 1.00 64.14 N ATOM 577 CA ALA A 36 -5.114 5.366 -1.849 1.00 41.13 C ATOM 578 C ALA A 36 -6.254 4.455 -1.410 1.00 35.04 C ATOM 579 O ALA A 36 -7.406 4.884 -1.316 1.00 45.02 O ATOM 580 CB ALA A 36 -5.111 6.646 -1.026 1.00 12.10 C ATOM 0 H ALA A 36 -5.475 6.642 -3.473 1.00 64.14 H new ATOM 0 HA ALA A 36 -4.176 4.836 -1.681 1.00 41.13 H new ATOM 0 HB1 ALA A 36 -5.040 6.398 0.033 1.00 12.10 H new ATOM 0 HB2 ALA A 36 -4.258 7.261 -1.313 1.00 12.10 H new ATOM 0 HB3 ALA A 36 -6.033 7.198 -1.208 1.00 12.10 H new ATOM 586 N LYS A 37 -5.930 3.195 -1.141 1.00 44.30 N ATOM 587 CA LYS A 37 -6.927 2.223 -0.711 1.00 31.43 C ATOM 588 C LYS A 37 -7.750 2.765 0.454 1.00 12.54 C ATOM 589 O LYS A 37 -8.943 2.482 0.568 1.00 13.31 O ATOM 590 CB LYS A 37 -6.249 0.912 -0.303 1.00 64.30 C ATOM 591 CG LYS A 37 -5.583 0.188 -1.459 1.00 45.13 C ATOM 592 CD LYS A 37 -5.204 -1.234 -1.080 1.00 53.13 C ATOM 593 CE LYS A 37 -6.423 -2.143 -1.036 1.00 71.34 C ATOM 594 NZ LYS A 37 -6.095 -3.485 -0.478 1.00 14.41 N ATOM 0 H LYS A 37 -4.983 2.823 -1.213 1.00 44.30 H new ATOM 0 HA LYS A 37 -7.597 2.034 -1.549 1.00 31.43 H new ATOM 0 HB2 LYS A 37 -5.502 1.122 0.462 1.00 64.30 H new ATOM 0 HB3 LYS A 37 -6.991 0.254 0.148 1.00 64.30 H new ATOM 0 HG2 LYS A 37 -6.257 0.170 -2.316 1.00 45.13 H new ATOM 0 HG3 LYS A 37 -4.691 0.734 -1.766 1.00 45.13 H new ATOM 0 HD2 LYS A 37 -4.484 -1.624 -1.800 1.00 53.13 H new ATOM 0 HD3 LYS A 37 -4.714 -1.234 -0.107 1.00 53.13 H new ATOM 0 HE2 LYS A 37 -7.201 -1.678 -0.430 1.00 71.34 H new ATOM 0 HE3 LYS A 37 -6.828 -2.257 -2.042 1.00 71.34 H new ATOM 0 HZ1 LYS A 37 -6.961 -4.057 -0.418 1.00 14.41 H new ATOM 0 HZ2 LYS A 37 -5.409 -3.961 -1.098 1.00 14.41 H new ATOM 0 HZ3 LYS A 37 -5.686 -3.375 0.472 1.00 14.41 H new ATOM 608 N TRP A 38 -7.106 3.547 1.313 1.00 62.01 N ATOM 609 CA TRP A 38 -7.779 4.129 2.468 1.00 15.35 C ATOM 610 C TRP A 38 -7.105 5.430 2.891 1.00 61.51 C ATOM 611 O TRP A 38 -6.245 5.952 2.185 1.00 2.54 O ATOM 612 CB TRP A 38 -7.786 3.140 3.634 1.00 25.33 C ATOM 613 CG TRP A 38 -7.144 1.827 3.303 1.00 74.21 C ATOM 614 CD1 TRP A 38 -5.818 1.514 3.400 1.00 15.53 C ATOM 615 CD2 TRP A 38 -7.802 0.651 2.818 1.00 61.02 C ATOM 616 NE1 TRP A 38 -5.612 0.214 3.005 1.00 2.15 N ATOM 617 CE2 TRP A 38 -6.813 -0.338 2.645 1.00 2.50 C ATOM 618 CE3 TRP A 38 -9.129 0.335 2.517 1.00 62.03 C ATOM 619 CZ2 TRP A 38 -7.112 -1.617 2.182 1.00 2.33 C ATOM 620 CZ3 TRP A 38 -9.424 -0.935 2.057 1.00 23.21 C ATOM 621 CH2 TRP A 38 -8.420 -1.897 1.894 1.00 21.03 C ATOM 0 H TRP A 38 -6.119 3.792 1.231 1.00 62.01 H new ATOM 0 HA TRP A 38 -8.808 4.350 2.184 1.00 15.35 H new ATOM 0 HB2 TRP A 38 -7.267 3.586 4.483 1.00 25.33 H new ATOM 0 HB3 TRP A 38 -8.816 2.964 3.946 1.00 25.33 H new ATOM 0 HD1 TRP A 38 -5.045 2.189 3.737 1.00 15.53 H new ATOM 0 HE1 TRP A 38 -4.711 -0.263 2.983 1.00 2.15 H new ATOM 0 HE3 TRP A 38 -9.911 1.070 2.641 1.00 62.03 H new ATOM 0 HZ2 TRP A 38 -6.339 -2.361 2.055 1.00 2.33 H new ATOM 0 HZ3 TRP A 38 -10.446 -1.189 1.819 1.00 23.21 H new ATOM 0 HH2 TRP A 38 -8.683 -2.880 1.533 1.00 21.03 H new ATOM 632 N ASP A 39 -7.503 5.948 4.049 1.00 52.15 N ATOM 633 CA ASP A 39 -6.936 7.188 4.567 1.00 72.54 C ATOM 634 C ASP A 39 -5.879 6.899 5.629 1.00 34.22 C ATOM 635 O ASP A 39 -6.133 6.176 6.593 1.00 14.01 O ATOM 636 CB ASP A 39 -8.037 8.071 5.153 1.00 12.31 C ATOM 637 CG ASP A 39 -9.105 7.268 5.870 1.00 3.21 C ATOM 638 OD1 ASP A 39 -10.300 7.597 5.715 1.00 60.02 O ATOM 639 OD2 ASP A 39 -8.744 6.310 6.585 1.00 75.42 O ATOM 0 H ASP A 39 -8.216 5.528 4.646 1.00 52.15 H new ATOM 0 HA ASP A 39 -6.460 7.715 3.740 1.00 72.54 H new ATOM 0 HB2 ASP A 39 -7.595 8.784 5.849 1.00 12.31 H new ATOM 0 HB3 ASP A 39 -8.498 8.650 4.353 1.00 12.31 H new ATOM 645 N TYR A 40 -4.692 7.468 5.445 1.00 40.50 N ATOM 646 CA TYR A 40 -3.596 7.269 6.385 1.00 11.41 C ATOM 647 C TYR A 40 -3.040 8.608 6.864 1.00 41.15 C ATOM 648 O TYR A 40 -3.295 9.651 6.263 1.00 54.12 O ATOM 649 CB TYR A 40 -2.483 6.445 5.735 1.00 3.12 C ATOM 650 CG TYR A 40 -1.660 5.652 6.726 1.00 52.40 C ATOM 651 CD1 TYR A 40 -2.272 4.844 7.677 1.00 43.24 C ATOM 652 CD2 TYR A 40 -0.273 5.710 6.709 1.00 62.11 C ATOM 653 CE1 TYR A 40 -1.524 4.119 8.584 1.00 43.13 C ATOM 654 CE2 TYR A 40 0.484 4.986 7.612 1.00 13.41 C ATOM 655 CZ TYR A 40 -0.147 4.193 8.548 1.00 42.24 C ATOM 656 OH TYR A 40 0.602 3.470 9.449 1.00 15.00 O ATOM 0 H TYR A 40 -4.465 8.070 4.654 1.00 40.50 H new ATOM 0 HA TYR A 40 -3.984 6.727 7.248 1.00 11.41 H new ATOM 0 HB2 TYR A 40 -2.925 5.760 5.011 1.00 3.12 H new ATOM 0 HB3 TYR A 40 -1.824 7.113 5.180 1.00 3.12 H new ATOM 0 HD1 TYR A 40 -3.350 4.782 7.707 1.00 43.24 H new ATOM 0 HD2 TYR A 40 0.223 6.331 5.978 1.00 62.11 H new ATOM 0 HE1 TYR A 40 -2.015 3.497 9.318 1.00 43.13 H new ATOM 0 HE2 TYR A 40 1.562 5.041 7.585 1.00 13.41 H new ATOM 0 HH TYR A 40 0.120 2.653 9.694 1.00 15.00 H new ATOM 666 N THR A 41 -2.277 8.568 7.952 1.00 42.02 N ATOM 667 CA THR A 41 -1.684 9.776 8.513 1.00 63.41 C ATOM 668 C THR A 41 -0.163 9.736 8.422 1.00 73.12 C ATOM 669 O THR A 41 0.477 8.833 8.963 1.00 12.42 O ATOM 670 CB THR A 41 -2.094 9.969 9.986 1.00 63.12 C ATOM 671 OG1 THR A 41 -1.438 11.120 10.529 1.00 41.31 O ATOM 672 CG2 THR A 41 -1.742 8.742 10.812 1.00 51.55 C ATOM 0 H THR A 41 -2.055 7.713 8.462 1.00 42.02 H new ATOM 0 HA THR A 41 -2.058 10.615 7.925 1.00 63.41 H new ATOM 0 HB THR A 41 -3.174 10.114 10.024 1.00 63.12 H new ATOM 0 HG1 THR A 41 -1.704 11.237 11.465 1.00 41.31 H new ATOM 0 HG21 THR A 41 -2.041 8.903 11.848 1.00 51.55 H new ATOM 0 HG22 THR A 41 -2.265 7.873 10.414 1.00 51.55 H new ATOM 0 HG23 THR A 41 -0.667 8.570 10.767 1.00 51.55 H new ATOM 680 N ALA A 42 0.410 10.717 7.735 1.00 43.01 N ATOM 681 CA ALA A 42 1.857 10.795 7.575 1.00 40.20 C ATOM 682 C ALA A 42 2.559 10.802 8.929 1.00 34.41 C ATOM 683 O ALA A 42 2.067 11.393 9.890 1.00 44.43 O ATOM 684 CB ALA A 42 2.234 12.035 6.777 1.00 71.32 C ATOM 0 H ALA A 42 -0.106 11.470 7.279 1.00 43.01 H new ATOM 0 HA ALA A 42 2.186 9.911 7.029 1.00 40.20 H new ATOM 0 HB1 ALA A 42 3.317 12.080 6.665 1.00 71.32 H new ATOM 0 HB2 ALA A 42 1.769 11.989 5.792 1.00 71.32 H new ATOM 0 HB3 ALA A 42 1.886 12.925 7.301 1.00 71.32 H new ATOM 690 N GLN A 43 3.709 10.139 8.998 1.00 54.34 N ATOM 691 CA GLN A 43 4.477 10.067 10.234 1.00 32.33 C ATOM 692 C GLN A 43 5.338 11.312 10.413 1.00 72.51 C ATOM 693 O GLN A 43 5.548 11.778 11.533 1.00 23.44 O ATOM 694 CB GLN A 43 5.358 8.816 10.241 1.00 61.21 C ATOM 695 CG GLN A 43 4.575 7.520 10.128 1.00 74.54 C ATOM 696 CD GLN A 43 4.451 7.035 8.696 1.00 13.31 C ATOM 697 OE1 GLN A 43 5.435 6.982 7.959 1.00 41.44 O ATOM 698 NE2 GLN A 43 3.236 6.679 8.295 1.00 41.42 N ATOM 0 H GLN A 43 4.129 9.644 8.211 1.00 54.34 H new ATOM 0 HA GLN A 43 3.775 10.011 11.066 1.00 32.33 H new ATOM 0 HB2 GLN A 43 6.066 8.876 9.415 1.00 61.21 H new ATOM 0 HB3 GLN A 43 5.942 8.799 11.161 1.00 61.21 H new ATOM 0 HG2 GLN A 43 5.064 6.751 10.727 1.00 74.54 H new ATOM 0 HG3 GLN A 43 3.579 7.664 10.546 1.00 74.54 H new ATOM 0 HE21 GLN A 43 2.448 6.739 8.940 1.00 41.42 H new ATOM 0 HE22 GLN A 43 3.091 6.345 7.342 1.00 41.42 H new ATOM 707 N GLN A 44 5.835 11.846 9.301 1.00 24.31 N ATOM 708 CA GLN A 44 6.675 13.037 9.337 1.00 71.33 C ATOM 709 C GLN A 44 6.461 13.892 8.092 1.00 61.02 C ATOM 710 O GLN A 44 5.730 13.505 7.180 1.00 4.00 O ATOM 711 CB GLN A 44 8.150 12.644 9.452 1.00 1.14 C ATOM 712 CG GLN A 44 8.591 11.627 8.413 1.00 13.53 C ATOM 713 CD GLN A 44 9.685 10.709 8.922 1.00 14.41 C ATOM 714 OE1 GLN A 44 9.293 9.667 9.646 1.00 42.45 O flip ATOM 715 NE2 GLN A 44 10.868 10.933 8.667 1.00 23.24 N flip ATOM 0 H GLN A 44 5.671 11.473 8.366 1.00 24.31 H new ATOM 0 HA GLN A 44 6.393 13.623 10.212 1.00 71.33 H new ATOM 0 HB2 GLN A 44 8.764 13.539 9.356 1.00 1.14 H new ATOM 0 HB3 GLN A 44 8.333 12.237 10.447 1.00 1.14 H new ATOM 0 HG2 GLN A 44 7.732 11.029 8.109 1.00 13.53 H new ATOM 0 HG3 GLN A 44 8.945 12.151 7.525 1.00 13.53 H new ATOM 0 HE21 GLN A 44 11.124 11.746 8.107 1.00 23.24 H new ATOM 0 HE22 GLN A 44 11.593 10.306 9.016 1.00 23.24 H new ATOM 724 N ASP A 45 7.102 15.055 8.061 1.00 15.01 N ATOM 725 CA ASP A 45 6.981 15.964 6.927 1.00 31.20 C ATOM 726 C ASP A 45 7.477 15.303 5.644 1.00 31.32 C ATOM 727 O ASP A 45 7.132 15.728 4.543 1.00 23.53 O ATOM 728 CB ASP A 45 7.770 17.248 7.190 1.00 24.00 C ATOM 729 CG ASP A 45 7.009 18.226 8.064 1.00 34.24 C ATOM 730 OD1 ASP A 45 7.058 18.079 9.304 1.00 50.23 O ATOM 731 OD2 ASP A 45 6.364 19.139 7.508 1.00 2.14 O ATOM 0 H ASP A 45 7.710 15.391 8.808 1.00 15.01 H new ATOM 0 HA ASP A 45 5.927 16.212 6.803 1.00 31.20 H new ATOM 0 HB2 ASP A 45 8.717 16.998 7.669 1.00 24.00 H new ATOM 0 HB3 ASP A 45 8.010 17.725 6.240 1.00 24.00 H new ATOM 737 N GLN A 46 8.287 14.261 5.798 1.00 73.03 N ATOM 738 CA GLN A 46 8.830 13.541 4.651 1.00 22.15 C ATOM 739 C GLN A 46 7.750 12.711 3.967 1.00 23.34 C ATOM 740 O GLN A 46 7.659 12.683 2.740 1.00 23.50 O ATOM 741 CB GLN A 46 9.983 12.637 5.090 1.00 11.42 C ATOM 742 CG GLN A 46 10.935 12.273 3.961 1.00 34.24 C ATOM 743 CD GLN A 46 11.490 10.869 4.095 1.00 73.02 C ATOM 744 OE1 GLN A 46 11.332 10.224 5.132 1.00 20.35 O ATOM 745 NE2 GLN A 46 12.144 10.388 3.046 1.00 52.44 N ATOM 0 H GLN A 46 8.582 13.896 6.704 1.00 73.03 H new ATOM 0 HA GLN A 46 9.204 14.275 3.937 1.00 22.15 H new ATOM 0 HB2 GLN A 46 10.544 13.136 5.880 1.00 11.42 H new ATOM 0 HB3 GLN A 46 9.574 11.722 5.518 1.00 11.42 H new ATOM 0 HG2 GLN A 46 10.414 12.364 3.008 1.00 34.24 H new ATOM 0 HG3 GLN A 46 11.760 12.985 3.943 1.00 34.24 H new ATOM 0 HE21 GLN A 46 12.251 10.958 2.207 1.00 52.44 H new ATOM 0 HE22 GLN A 46 12.540 9.448 3.079 1.00 52.44 H new ATOM 754 N GLU A 47 6.932 12.036 4.770 1.00 41.10 N ATOM 755 CA GLU A 47 5.859 11.204 4.239 1.00 33.53 C ATOM 756 C GLU A 47 4.683 12.061 3.779 1.00 2.32 C ATOM 757 O GLU A 47 4.718 13.288 3.877 1.00 4.51 O ATOM 758 CB GLU A 47 5.389 10.203 5.298 1.00 75.01 C ATOM 759 CG GLU A 47 6.511 9.357 5.875 1.00 61.10 C ATOM 760 CD GLU A 47 7.498 8.899 4.818 1.00 45.41 C ATOM 761 OE1 GLU A 47 8.354 9.715 4.414 1.00 25.30 O ATOM 762 OE2 GLU A 47 7.417 7.727 4.396 1.00 32.34 O ATOM 0 H GLU A 47 6.992 12.049 5.788 1.00 41.10 H new ATOM 0 HA GLU A 47 6.248 10.659 3.379 1.00 33.53 H new ATOM 0 HB2 GLU A 47 4.901 10.746 6.108 1.00 75.01 H new ATOM 0 HB3 GLU A 47 4.639 9.546 4.857 1.00 75.01 H new ATOM 0 HG2 GLU A 47 7.039 9.931 6.636 1.00 61.10 H new ATOM 0 HG3 GLU A 47 6.085 8.485 6.372 1.00 61.10 H new ATOM 769 N LEU A 48 3.643 11.406 3.275 1.00 34.14 N ATOM 770 CA LEU A 48 2.456 12.107 2.797 1.00 62.12 C ATOM 771 C LEU A 48 1.188 11.482 3.369 1.00 74.34 C ATOM 772 O LEU A 48 1.116 10.269 3.567 1.00 15.12 O ATOM 773 CB LEU A 48 2.405 12.083 1.268 1.00 52.21 C ATOM 774 CG LEU A 48 2.189 13.431 0.582 1.00 0.04 C ATOM 775 CD1 LEU A 48 2.463 13.322 -0.910 1.00 22.53 C ATOM 776 CD2 LEU A 48 0.775 13.937 0.831 1.00 74.25 C ATOM 0 H LEU A 48 3.597 10.391 3.187 1.00 34.14 H new ATOM 0 HA LEU A 48 2.515 13.141 3.136 1.00 62.12 H new ATOM 0 HB2 LEU A 48 3.338 11.656 0.900 1.00 52.21 H new ATOM 0 HB3 LEU A 48 1.604 11.410 0.962 1.00 52.21 H new ATOM 0 HG LEU A 48 2.890 14.149 1.007 1.00 0.04 H new ATOM 0 HD11 LEU A 48 2.304 14.292 -1.381 1.00 22.53 H new ATOM 0 HD12 LEU A 48 3.494 13.007 -1.068 1.00 22.53 H new ATOM 0 HD13 LEU A 48 1.788 12.589 -1.351 1.00 22.53 H new ATOM 0 HD21 LEU A 48 0.640 14.898 0.335 1.00 74.25 H new ATOM 0 HD22 LEU A 48 0.057 13.220 0.434 1.00 74.25 H new ATOM 0 HD23 LEU A 48 0.615 14.056 1.903 1.00 74.25 H new ATOM 788 N ASP A 49 0.188 12.318 3.630 1.00 64.40 N ATOM 789 CA ASP A 49 -1.079 11.846 4.176 1.00 21.33 C ATOM 790 C ASP A 49 -2.090 11.594 3.062 1.00 13.34 C ATOM 791 O ASP A 49 -2.442 12.505 2.311 1.00 61.44 O ATOM 792 CB ASP A 49 -1.641 12.865 5.169 1.00 31.30 C ATOM 793 CG ASP A 49 -0.550 13.592 5.931 1.00 53.40 C ATOM 794 OD1 ASP A 49 0.108 14.468 5.332 1.00 13.34 O ATOM 795 OD2 ASP A 49 -0.356 13.287 7.126 1.00 74.32 O ATOM 0 H ASP A 49 0.231 13.325 3.472 1.00 64.40 H new ATOM 0 HA ASP A 49 -0.895 10.906 4.696 1.00 21.33 H new ATOM 0 HB2 ASP A 49 -2.252 13.591 4.633 1.00 31.30 H new ATOM 0 HB3 ASP A 49 -2.297 12.356 5.876 1.00 31.30 H new ATOM 801 N ILE A 50 -2.553 10.352 2.960 1.00 22.40 N ATOM 802 CA ILE A 50 -3.523 9.979 1.939 1.00 10.34 C ATOM 803 C ILE A 50 -4.924 9.861 2.528 1.00 1.53 C ATOM 804 O ILE A 50 -5.090 9.563 3.710 1.00 21.44 O ATOM 805 CB ILE A 50 -3.148 8.647 1.265 1.00 42.41 C ATOM 806 CG1 ILE A 50 -2.894 7.570 2.321 1.00 15.31 C ATOM 807 CG2 ILE A 50 -1.923 8.828 0.380 1.00 42.31 C ATOM 808 CD1 ILE A 50 -2.638 6.199 1.736 1.00 43.02 C ATOM 0 H ILE A 50 -2.271 9.587 3.573 1.00 22.40 H new ATOM 0 HA ILE A 50 -3.512 10.771 1.190 1.00 10.34 H new ATOM 0 HB ILE A 50 -3.981 8.326 0.639 1.00 42.41 H new ATOM 0 HG12 ILE A 50 -2.037 7.863 2.928 1.00 15.31 H new ATOM 0 HG13 ILE A 50 -3.754 7.517 2.988 1.00 15.31 H new ATOM 0 HG21 ILE A 50 -1.670 7.878 -0.090 1.00 42.31 H new ATOM 0 HG22 ILE A 50 -2.137 9.568 -0.391 1.00 42.31 H new ATOM 0 HG23 ILE A 50 -1.083 9.168 0.986 1.00 42.31 H new ATOM 0 HD11 ILE A 50 -2.466 5.486 2.542 1.00 43.02 H new ATOM 0 HD12 ILE A 50 -3.503 5.885 1.152 1.00 43.02 H new ATOM 0 HD13 ILE A 50 -1.760 6.237 1.091 1.00 43.02 H new ATOM 820 N LYS A 51 -5.932 10.095 1.695 1.00 12.34 N ATOM 821 CA LYS A 51 -7.322 10.013 2.130 1.00 62.34 C ATOM 822 C LYS A 51 -8.092 8.990 1.301 1.00 24.54 C ATOM 823 O LYS A 51 -7.669 8.617 0.207 1.00 65.32 O ATOM 824 CB LYS A 51 -7.994 11.383 2.024 1.00 73.31 C ATOM 825 CG LYS A 51 -8.698 11.816 3.298 1.00 23.22 C ATOM 826 CD LYS A 51 -9.556 13.048 3.070 1.00 53.40 C ATOM 827 CE LYS A 51 -10.425 13.355 4.279 1.00 31.30 C ATOM 828 NZ LYS A 51 -11.802 13.761 3.886 1.00 72.51 N ATOM 0 H LYS A 51 -5.812 10.343 0.713 1.00 12.34 H new ATOM 0 HA LYS A 51 -7.332 9.692 3.171 1.00 62.34 H new ATOM 0 HB2 LYS A 51 -7.242 12.128 1.763 1.00 73.31 H new ATOM 0 HB3 LYS A 51 -8.717 11.361 1.209 1.00 73.31 H new ATOM 0 HG2 LYS A 51 -9.321 11.001 3.665 1.00 23.22 H new ATOM 0 HG3 LYS A 51 -7.958 12.025 4.071 1.00 23.22 H new ATOM 0 HD2 LYS A 51 -8.916 13.903 2.855 1.00 53.40 H new ATOM 0 HD3 LYS A 51 -10.189 12.895 2.196 1.00 53.40 H new ATOM 0 HE2 LYS A 51 -10.476 12.476 4.922 1.00 31.30 H new ATOM 0 HE3 LYS A 51 -9.965 14.152 4.864 1.00 31.30 H new ATOM 0 HZ1 LYS A 51 -12.362 13.961 4.739 1.00 72.51 H new ATOM 0 HZ2 LYS A 51 -11.756 14.615 3.293 1.00 72.51 H new ATOM 0 HZ3 LYS A 51 -12.251 12.991 3.350 1.00 72.51 H new ATOM 842 N LYS A 52 -9.226 8.540 1.828 1.00 22.25 N ATOM 843 CA LYS A 52 -10.057 7.564 1.136 1.00 75.32 C ATOM 844 C LYS A 52 -10.309 7.988 -0.307 1.00 43.44 C ATOM 845 O LYS A 52 -10.654 9.138 -0.575 1.00 61.33 O ATOM 846 CB LYS A 52 -11.391 7.389 1.867 1.00 2.14 C ATOM 847 CG LYS A 52 -11.369 6.297 2.922 1.00 60.11 C ATOM 848 CD LYS A 52 -11.328 4.915 2.293 1.00 41.51 C ATOM 849 CE LYS A 52 -12.672 4.538 1.688 1.00 73.33 C ATOM 850 NZ LYS A 52 -13.749 4.492 2.715 1.00 32.34 N ATOM 0 H LYS A 52 -9.590 8.837 2.733 1.00 22.25 H new ATOM 0 HA LYS A 52 -9.525 6.613 1.129 1.00 75.32 H new ATOM 0 HB2 LYS A 52 -11.663 8.333 2.339 1.00 2.14 H new ATOM 0 HB3 LYS A 52 -12.168 7.162 1.137 1.00 2.14 H new ATOM 0 HG2 LYS A 52 -10.500 6.430 3.567 1.00 60.11 H new ATOM 0 HG3 LYS A 52 -12.252 6.384 3.555 1.00 60.11 H new ATOM 0 HD2 LYS A 52 -10.560 4.888 1.520 1.00 41.51 H new ATOM 0 HD3 LYS A 52 -11.048 4.179 3.047 1.00 41.51 H new ATOM 0 HE2 LYS A 52 -12.938 5.259 0.915 1.00 73.33 H new ATOM 0 HE3 LYS A 52 -12.592 3.566 1.202 1.00 73.33 H new ATOM 0 HZ1 LYS A 52 -14.529 3.895 2.374 1.00 32.34 H new ATOM 0 HZ2 LYS A 52 -13.370 4.095 3.598 1.00 32.34 H new ATOM 0 HZ3 LYS A 52 -14.102 5.454 2.892 1.00 32.34 H new ATOM 864 N ASN A 53 -10.133 7.050 -1.233 1.00 11.43 N ATOM 865 CA ASN A 53 -10.342 7.329 -2.650 1.00 62.44 C ATOM 866 C ASN A 53 -9.567 8.570 -3.082 1.00 61.52 C ATOM 867 O ASN A 53 -10.158 9.601 -3.401 1.00 3.13 O ATOM 868 CB ASN A 53 -11.832 7.515 -2.940 1.00 13.35 C ATOM 869 CG ASN A 53 -12.100 7.858 -4.394 1.00 23.04 C ATOM 870 OD1 ASN A 53 -11.411 7.376 -5.293 1.00 50.42 O ATOM 871 ND2 ASN A 53 -13.104 8.694 -4.629 1.00 72.31 N ATOM 0 H ASN A 53 -9.847 6.093 -1.028 1.00 11.43 H new ATOM 0 HA ASN A 53 -9.972 6.477 -3.221 1.00 62.44 H new ATOM 0 HB2 ASN A 53 -12.367 6.601 -2.681 1.00 13.35 H new ATOM 0 HB3 ASN A 53 -12.227 8.307 -2.304 1.00 13.35 H new ATOM 0 HD21 ASN A 53 -13.331 8.962 -5.587 1.00 72.31 H new ATOM 0 HD22 ASN A 53 -13.648 9.069 -3.852 1.00 72.31 H new ATOM 878 N GLU A 54 -8.242 8.462 -3.087 1.00 13.30 N ATOM 879 CA GLU A 54 -7.388 9.576 -3.480 1.00 53.01 C ATOM 880 C GLU A 54 -6.389 9.146 -4.549 1.00 52.25 C ATOM 881 O GLU A 54 -5.684 8.150 -4.391 1.00 45.13 O ATOM 882 CB GLU A 54 -6.642 10.127 -2.262 1.00 43.32 C ATOM 883 CG GLU A 54 -5.795 11.350 -2.571 1.00 4.53 C ATOM 884 CD GLU A 54 -6.478 12.647 -2.185 1.00 74.02 C ATOM 885 OE1 GLU A 54 -7.165 12.668 -1.142 1.00 14.41 O ATOM 886 OE2 GLU A 54 -6.326 13.640 -2.926 1.00 3.21 O ATOM 0 H GLU A 54 -7.738 7.615 -2.824 1.00 13.30 H new ATOM 0 HA GLU A 54 -8.023 10.359 -3.895 1.00 53.01 H new ATOM 0 HB2 GLU A 54 -7.366 10.382 -1.488 1.00 43.32 H new ATOM 0 HB3 GLU A 54 -6.001 9.345 -1.854 1.00 43.32 H new ATOM 0 HG2 GLU A 54 -4.845 11.273 -2.041 1.00 4.53 H new ATOM 0 HG3 GLU A 54 -5.565 11.368 -3.636 1.00 4.53 H new ATOM 893 N ARG A 55 -6.337 9.903 -5.641 1.00 63.11 N ATOM 894 CA ARG A 55 -5.427 9.601 -6.739 1.00 23.31 C ATOM 895 C ARG A 55 -4.256 10.578 -6.760 1.00 13.12 C ATOM 896 O ARG A 55 -4.408 11.753 -6.423 1.00 31.34 O ATOM 897 CB ARG A 55 -6.171 9.650 -8.074 1.00 41.12 C ATOM 898 CG ARG A 55 -7.156 10.803 -8.182 1.00 24.31 C ATOM 899 CD ARG A 55 -8.544 10.396 -7.716 1.00 54.12 C ATOM 900 NE ARG A 55 -9.356 9.871 -8.812 1.00 70.24 N ATOM 901 CZ ARG A 55 -10.667 9.677 -8.726 1.00 12.32 C ATOM 902 NH1 ARG A 55 -11.312 9.964 -7.605 1.00 12.11 N ATOM 903 NH2 ARG A 55 -11.337 9.196 -9.767 1.00 4.03 N ATOM 0 H ARG A 55 -6.915 10.730 -5.788 1.00 63.11 H new ATOM 0 HA ARG A 55 -5.035 8.595 -6.586 1.00 23.31 H new ATOM 0 HB2 ARG A 55 -5.444 9.728 -8.882 1.00 41.12 H new ATOM 0 HB3 ARG A 55 -6.707 8.711 -8.216 1.00 41.12 H new ATOM 0 HG2 ARG A 55 -6.802 11.642 -7.584 1.00 24.31 H new ATOM 0 HG3 ARG A 55 -7.204 11.146 -9.215 1.00 24.31 H new ATOM 0 HD2 ARG A 55 -8.457 9.641 -6.935 1.00 54.12 H new ATOM 0 HD3 ARG A 55 -9.045 11.257 -7.273 1.00 54.12 H new ATOM 0 HE ARG A 55 -8.891 9.641 -9.690 1.00 70.24 H new ATOM 0 HH11 ARG A 55 -10.802 10.335 -6.804 1.00 12.11 H new ATOM 0 HH12 ARG A 55 -12.319 9.814 -7.543 1.00 12.11 H new ATOM 0 HH21 ARG A 55 -10.845 8.976 -10.633 1.00 4.03 H new ATOM 0 HH22 ARG A 55 -12.344 9.047 -9.701 1.00 4.03 H new ATOM 917 N LEU A 56 -3.088 10.086 -7.159 1.00 71.33 N ATOM 918 CA LEU A 56 -1.890 10.917 -7.224 1.00 55.34 C ATOM 919 C LEU A 56 -0.990 10.483 -8.376 1.00 63.03 C ATOM 920 O LEU A 56 -1.278 9.506 -9.069 1.00 23.15 O ATOM 921 CB LEU A 56 -1.121 10.841 -5.904 1.00 54.05 C ATOM 922 CG LEU A 56 -1.506 11.872 -4.843 1.00 32.22 C ATOM 923 CD1 LEU A 56 -2.701 11.388 -4.037 1.00 34.41 C ATOM 924 CD2 LEU A 56 -0.327 12.162 -3.927 1.00 64.03 C ATOM 0 H LEU A 56 -2.945 9.117 -7.442 1.00 71.33 H new ATOM 0 HA LEU A 56 -2.200 11.947 -7.397 1.00 55.34 H new ATOM 0 HB2 LEU A 56 -1.260 9.846 -5.482 1.00 54.05 H new ATOM 0 HB3 LEU A 56 -0.058 10.950 -6.119 1.00 54.05 H new ATOM 0 HG LEU A 56 -1.784 12.797 -5.348 1.00 32.22 H new ATOM 0 HD11 LEU A 56 -2.960 12.135 -3.287 1.00 34.41 H new ATOM 0 HD12 LEU A 56 -3.550 11.232 -4.703 1.00 34.41 H new ATOM 0 HD13 LEU A 56 -2.450 10.449 -3.543 1.00 34.41 H new ATOM 0 HD21 LEU A 56 -0.620 12.898 -3.178 1.00 64.03 H new ATOM 0 HD22 LEU A 56 -0.018 11.243 -3.430 1.00 64.03 H new ATOM 0 HD23 LEU A 56 0.503 12.554 -4.515 1.00 64.03 H new ATOM 936 N TRP A 57 0.101 11.212 -8.574 1.00 25.53 N ATOM 937 CA TRP A 57 1.046 10.902 -9.641 1.00 2.12 C ATOM 938 C TRP A 57 2.181 10.024 -9.125 1.00 31.12 C ATOM 939 O TRP A 57 3.014 10.469 -8.334 1.00 23.25 O ATOM 940 CB TRP A 57 1.613 12.189 -10.239 1.00 3.45 C ATOM 941 CG TRP A 57 0.664 12.882 -11.169 1.00 52.12 C ATOM 942 CD1 TRP A 57 0.787 13.005 -12.524 1.00 62.42 C ATOM 943 CD2 TRP A 57 -0.553 13.547 -10.813 1.00 73.33 C ATOM 944 NE1 TRP A 57 -0.280 13.705 -13.032 1.00 25.13 N ATOM 945 CE2 TRP A 57 -1.117 14.049 -12.003 1.00 22.42 C ATOM 946 CE3 TRP A 57 -1.222 13.764 -9.606 1.00 41.20 C ATOM 947 CZ2 TRP A 57 -2.316 14.755 -12.017 1.00 32.14 C ATOM 948 CZ3 TRP A 57 -2.413 14.467 -9.622 1.00 62.33 C ATOM 949 CH2 TRP A 57 -2.950 14.954 -10.821 1.00 3.14 C ATOM 0 H TRP A 57 0.354 12.023 -8.009 1.00 25.53 H new ATOM 0 HA TRP A 57 0.511 10.354 -10.417 1.00 2.12 H new ATOM 0 HB2 TRP A 57 1.880 12.870 -9.431 1.00 3.45 H new ATOM 0 HB3 TRP A 57 2.532 11.957 -10.777 1.00 3.45 H new ATOM 0 HD1 TRP A 57 1.604 12.610 -13.110 1.00 62.42 H new ATOM 0 HE1 TRP A 57 -0.426 13.932 -14.016 1.00 25.13 H new ATOM 0 HE3 TRP A 57 -0.817 13.390 -8.678 1.00 41.20 H new ATOM 0 HZ2 TRP A 57 -2.732 15.133 -12.940 1.00 32.14 H new ATOM 0 HZ3 TRP A 57 -2.938 14.644 -8.695 1.00 62.33 H new ATOM 0 HH2 TRP A 57 -3.883 15.497 -10.801 1.00 3.14 H new ATOM 960 N LEU A 58 2.209 8.774 -9.576 1.00 42.52 N ATOM 961 CA LEU A 58 3.243 7.834 -9.161 1.00 61.31 C ATOM 962 C LEU A 58 4.615 8.273 -9.664 1.00 52.20 C ATOM 963 O LEU A 58 4.811 8.478 -10.864 1.00 24.15 O ATOM 964 CB LEU A 58 2.922 6.431 -9.680 1.00 4.10 C ATOM 965 CG LEU A 58 2.688 5.359 -8.615 1.00 54.00 C ATOM 966 CD1 LEU A 58 2.506 3.994 -9.262 1.00 44.31 C ATOM 967 CD2 LEU A 58 3.841 5.332 -7.622 1.00 74.12 C ATOM 0 H LEU A 58 1.527 8.389 -10.229 1.00 42.52 H new ATOM 0 HA LEU A 58 3.266 7.816 -8.071 1.00 61.31 H new ATOM 0 HB2 LEU A 58 2.033 6.492 -10.307 1.00 4.10 H new ATOM 0 HB3 LEU A 58 3.742 6.106 -10.320 1.00 4.10 H new ATOM 0 HG LEU A 58 1.775 5.606 -8.073 1.00 54.00 H new ATOM 0 HD11 LEU A 58 2.341 3.244 -8.489 1.00 44.31 H new ATOM 0 HD12 LEU A 58 1.646 4.020 -9.932 1.00 44.31 H new ATOM 0 HD13 LEU A 58 3.401 3.738 -9.830 1.00 44.31 H new ATOM 0 HD21 LEU A 58 3.657 4.563 -6.872 1.00 74.12 H new ATOM 0 HD22 LEU A 58 4.769 5.111 -8.148 1.00 74.12 H new ATOM 0 HD23 LEU A 58 3.924 6.303 -7.134 1.00 74.12 H new ATOM 979 N LEU A 59 5.560 8.413 -8.743 1.00 42.21 N ATOM 980 CA LEU A 59 6.915 8.826 -9.094 1.00 62.50 C ATOM 981 C LEU A 59 7.850 7.623 -9.162 1.00 72.10 C ATOM 982 O LEU A 59 8.258 7.203 -10.245 1.00 41.45 O ATOM 983 CB LEU A 59 7.441 9.837 -8.073 1.00 21.34 C ATOM 984 CG LEU A 59 6.656 11.144 -7.957 1.00 4.20 C ATOM 985 CD1 LEU A 59 7.369 12.115 -7.028 1.00 10.01 C ATOM 986 CD2 LEU A 59 6.453 11.768 -9.329 1.00 41.23 C ATOM 0 H LEU A 59 5.414 8.247 -7.747 1.00 42.21 H new ATOM 0 HA LEU A 59 6.883 9.294 -10.078 1.00 62.50 H new ATOM 0 HB2 LEU A 59 7.458 9.359 -7.094 1.00 21.34 H new ATOM 0 HB3 LEU A 59 8.473 10.078 -8.328 1.00 21.34 H new ATOM 0 HG LEU A 59 5.677 10.920 -7.533 1.00 4.20 H new ATOM 0 HD11 LEU A 59 6.795 13.039 -6.958 1.00 10.01 H new ATOM 0 HD12 LEU A 59 7.462 11.669 -6.038 1.00 10.01 H new ATOM 0 HD13 LEU A 59 8.362 12.333 -7.422 1.00 10.01 H new ATOM 0 HD21 LEU A 59 5.892 12.697 -9.227 1.00 41.23 H new ATOM 0 HD22 LEU A 59 7.423 11.977 -9.781 1.00 41.23 H new ATOM 0 HD23 LEU A 59 5.898 11.078 -9.964 1.00 41.23 H new ATOM 998 N ASP A 60 8.183 7.072 -8.000 1.00 21.00 N ATOM 999 CA ASP A 60 9.067 5.915 -7.928 1.00 61.34 C ATOM 1000 C ASP A 60 8.524 4.874 -6.954 1.00 12.03 C ATOM 1001 O ASP A 60 8.475 5.106 -5.746 1.00 21.05 O ATOM 1002 CB ASP A 60 10.472 6.344 -7.503 1.00 40.22 C ATOM 1003 CG ASP A 60 11.540 5.877 -8.473 1.00 21.11 C ATOM 1004 OD1 ASP A 60 11.411 6.163 -9.681 1.00 31.11 O ATOM 1005 OD2 ASP A 60 12.505 5.225 -8.022 1.00 40.24 O ATOM 0 H ASP A 60 7.854 7.408 -7.095 1.00 21.00 H new ATOM 0 HA ASP A 60 9.117 5.467 -8.920 1.00 61.34 H new ATOM 0 HB2 ASP A 60 10.508 7.430 -7.423 1.00 40.22 H new ATOM 0 HB3 ASP A 60 10.686 5.944 -6.512 1.00 40.22 H new ATOM 1011 N ASP A 61 8.115 3.728 -7.487 1.00 43.40 N ATOM 1012 CA ASP A 61 7.575 2.653 -6.666 1.00 31.54 C ATOM 1013 C ASP A 61 8.400 1.380 -6.824 1.00 70.05 C ATOM 1014 O ASP A 61 8.037 0.482 -7.586 1.00 31.03 O ATOM 1015 CB ASP A 61 6.116 2.380 -7.040 1.00 30.32 C ATOM 1016 CG ASP A 61 5.856 2.557 -8.523 1.00 41.15 C ATOM 1017 OD1 ASP A 61 5.692 1.537 -9.223 1.00 41.33 O ATOM 1018 OD2 ASP A 61 5.814 3.717 -8.983 1.00 23.44 O ATOM 0 H ASP A 61 8.148 3.520 -8.485 1.00 43.40 H new ATOM 0 HA ASP A 61 7.622 2.967 -5.623 1.00 31.54 H new ATOM 0 HB2 ASP A 61 5.853 1.364 -6.747 1.00 30.32 H new ATOM 0 HB3 ASP A 61 5.468 3.052 -6.478 1.00 30.32 H new ATOM 1024 N SER A 62 9.513 1.308 -6.101 1.00 62.11 N ATOM 1025 CA SER A 62 10.393 0.148 -6.167 1.00 24.53 C ATOM 1026 C SER A 62 10.347 -0.642 -4.861 1.00 74.12 C ATOM 1027 O SER A 62 10.156 -1.859 -4.865 1.00 40.32 O ATOM 1028 CB SER A 62 11.829 0.586 -6.458 1.00 54.25 C ATOM 1029 OG SER A 62 12.249 0.137 -7.736 1.00 64.55 O ATOM 0 H SER A 62 9.826 2.039 -5.463 1.00 62.11 H new ATOM 0 HA SER A 62 10.046 -0.495 -6.976 1.00 24.53 H new ATOM 0 HB2 SER A 62 11.898 1.673 -6.410 1.00 54.25 H new ATOM 0 HB3 SER A 62 12.496 0.190 -5.692 1.00 54.25 H new ATOM 0 HG SER A 62 13.169 0.431 -7.900 1.00 64.55 H new ATOM 1035 N LYS A 63 10.521 0.059 -3.746 1.00 61.55 N ATOM 1036 CA LYS A 63 10.498 -0.576 -2.433 1.00 4.32 C ATOM 1037 C LYS A 63 9.073 -0.671 -1.901 1.00 24.40 C ATOM 1038 O LYS A 63 8.125 -0.220 -2.546 1.00 20.14 O ATOM 1039 CB LYS A 63 11.369 0.210 -1.451 1.00 24.13 C ATOM 1040 CG LYS A 63 11.064 1.699 -1.422 1.00 12.11 C ATOM 1041 CD LYS A 63 12.061 2.487 -2.256 1.00 32.03 C ATOM 1042 CE LYS A 63 11.399 3.672 -2.944 1.00 71.43 C ATOM 1043 NZ LYS A 63 12.079 4.955 -2.616 1.00 11.12 N ATOM 0 H LYS A 63 10.679 1.066 -3.725 1.00 61.55 H new ATOM 0 HA LYS A 63 10.896 -1.585 -2.536 1.00 4.32 H new ATOM 0 HB2 LYS A 63 11.233 -0.199 -0.450 1.00 24.13 H new ATOM 0 HB3 LYS A 63 12.417 0.068 -1.714 1.00 24.13 H new ATOM 0 HG2 LYS A 63 10.056 1.873 -1.798 1.00 12.11 H new ATOM 0 HG3 LYS A 63 11.086 2.056 -0.392 1.00 12.11 H new ATOM 0 HD2 LYS A 63 12.871 2.841 -1.618 1.00 32.03 H new ATOM 0 HD3 LYS A 63 12.508 1.833 -3.005 1.00 32.03 H new ATOM 0 HE2 LYS A 63 11.413 3.519 -4.023 1.00 71.43 H new ATOM 0 HE3 LYS A 63 10.353 3.728 -2.643 1.00 71.43 H new ATOM 0 HZ1 LYS A 63 11.598 5.737 -3.104 1.00 11.12 H new ATOM 0 HZ2 LYS A 63 12.044 5.114 -1.589 1.00 11.12 H new ATOM 0 HZ3 LYS A 63 13.071 4.911 -2.926 1.00 11.12 H new ATOM 1057 N THR A 64 8.926 -1.262 -0.718 1.00 52.00 N ATOM 1058 CA THR A 64 7.615 -1.417 -0.099 1.00 44.04 C ATOM 1059 C THR A 64 6.856 -0.096 -0.081 1.00 1.24 C ATOM 1060 O THR A 64 5.627 -0.075 -0.126 1.00 75.40 O ATOM 1061 CB THR A 64 7.735 -1.947 1.342 1.00 20.03 C ATOM 1062 OG1 THR A 64 6.517 -1.707 2.055 1.00 2.05 O ATOM 1063 CG2 THR A 64 8.894 -1.283 2.070 1.00 23.13 C ATOM 0 H THR A 64 9.699 -1.641 -0.170 1.00 52.00 H new ATOM 0 HA THR A 64 7.064 -2.140 -0.700 1.00 44.04 H new ATOM 0 HB THR A 64 7.924 -3.020 1.296 1.00 20.03 H new ATOM 0 HG1 THR A 64 5.824 -2.321 1.734 1.00 2.05 H new ATOM 0 HG21 THR A 64 8.958 -1.674 3.085 1.00 23.13 H new ATOM 0 HG22 THR A 64 9.824 -1.493 1.541 1.00 23.13 H new ATOM 0 HG23 THR A 64 8.732 -0.206 2.106 1.00 23.13 H new ATOM 1071 N TRP A 65 7.595 1.006 -0.015 1.00 45.22 N ATOM 1072 CA TRP A 65 6.990 2.333 0.008 1.00 74.35 C ATOM 1073 C TRP A 65 7.076 2.994 -1.363 1.00 72.20 C ATOM 1074 O TRP A 65 8.106 2.925 -2.032 1.00 4.30 O ATOM 1075 CB TRP A 65 7.678 3.211 1.055 1.00 21.21 C ATOM 1076 CG TRP A 65 7.180 2.975 2.449 1.00 35.12 C ATOM 1077 CD1 TRP A 65 7.338 1.843 3.195 1.00 62.04 C ATOM 1078 CD2 TRP A 65 6.441 3.893 3.261 1.00 53.23 C ATOM 1079 NE1 TRP A 65 6.740 2.002 4.423 1.00 44.44 N ATOM 1080 CE2 TRP A 65 6.184 3.251 4.488 1.00 24.11 C ATOM 1081 CE3 TRP A 65 5.972 5.196 3.072 1.00 34.00 C ATOM 1082 CZ2 TRP A 65 5.480 3.868 5.518 1.00 11.23 C ATOM 1083 CZ3 TRP A 65 5.272 5.808 4.095 1.00 31.54 C ATOM 1084 CH2 TRP A 65 5.033 5.144 5.307 1.00 55.12 C ATOM 0 H TRP A 65 8.614 1.007 0.024 1.00 45.22 H new ATOM 0 HA TRP A 65 5.938 2.221 0.272 1.00 74.35 H new ATOM 0 HB2 TRP A 65 8.752 3.026 1.024 1.00 21.21 H new ATOM 0 HB3 TRP A 65 7.527 4.259 0.796 1.00 21.21 H new ATOM 0 HD1 TRP A 65 7.856 0.953 2.869 1.00 62.04 H new ATOM 0 HE1 TRP A 65 6.715 1.303 5.165 1.00 44.44 H new ATOM 0 HE3 TRP A 65 6.153 5.716 2.143 1.00 34.00 H new ATOM 0 HZ2 TRP A 65 5.293 3.358 6.451 1.00 11.23 H new ATOM 0 HZ3 TRP A 65 4.903 6.814 3.959 1.00 31.54 H new ATOM 0 HH2 TRP A 65 4.486 5.649 6.089 1.00 55.12 H new ATOM 1095 N TRP A 66 5.986 3.633 -1.775 1.00 63.33 N ATOM 1096 CA TRP A 66 5.938 4.306 -3.068 1.00 23.32 C ATOM 1097 C TRP A 66 5.831 5.816 -2.891 1.00 30.15 C ATOM 1098 O TRP A 66 5.246 6.297 -1.920 1.00 11.22 O ATOM 1099 CB TRP A 66 4.756 3.792 -3.891 1.00 0.14 C ATOM 1100 CG TRP A 66 4.799 2.314 -4.133 1.00 24.51 C ATOM 1101 CD1 TRP A 66 5.862 1.480 -3.927 1.00 71.14 C ATOM 1102 CD2 TRP A 66 3.733 1.494 -4.626 1.00 32.45 C ATOM 1103 NE1 TRP A 66 5.520 0.193 -4.264 1.00 74.44 N ATOM 1104 CE2 TRP A 66 4.219 0.174 -4.694 1.00 23.30 C ATOM 1105 CE3 TRP A 66 2.415 1.748 -5.013 1.00 52.43 C ATOM 1106 CZ2 TRP A 66 3.433 -0.887 -5.136 1.00 2.41 C ATOM 1107 CZ3 TRP A 66 1.637 0.694 -5.453 1.00 74.51 C ATOM 1108 CH2 TRP A 66 2.148 -0.611 -5.510 1.00 34.04 C ATOM 0 H TRP A 66 5.125 3.699 -1.233 1.00 63.33 H new ATOM 0 HA TRP A 66 6.864 4.085 -3.599 1.00 23.32 H new ATOM 0 HB2 TRP A 66 3.828 4.042 -3.376 1.00 0.14 H new ATOM 0 HB3 TRP A 66 4.738 4.310 -4.850 1.00 0.14 H new ATOM 0 HD1 TRP A 66 6.828 1.787 -3.554 1.00 71.14 H new ATOM 0 HE1 TRP A 66 6.135 -0.618 -4.204 1.00 74.44 H new ATOM 0 HE3 TRP A 66 2.012 2.749 -4.969 1.00 52.43 H new ATOM 0 HZ2 TRP A 66 3.825 -1.892 -5.182 1.00 2.41 H new ATOM 0 HZ3 TRP A 66 0.618 0.878 -5.758 1.00 74.51 H new ATOM 0 HH2 TRP A 66 1.513 -1.413 -5.856 1.00 34.04 H new ATOM 1119 N ARG A 67 6.402 6.561 -3.833 1.00 30.11 N ATOM 1120 CA ARG A 67 6.370 8.018 -3.780 1.00 71.31 C ATOM 1121 C ARG A 67 5.471 8.583 -4.874 1.00 61.13 C ATOM 1122 O ARG A 67 5.683 8.326 -6.060 1.00 2.31 O ATOM 1123 CB ARG A 67 7.784 8.584 -3.922 1.00 4.44 C ATOM 1124 CG ARG A 67 7.815 10.070 -4.244 1.00 73.13 C ATOM 1125 CD ARG A 67 9.121 10.709 -3.798 1.00 14.53 C ATOM 1126 NE ARG A 67 8.934 11.584 -2.644 1.00 64.53 N ATOM 1127 CZ ARG A 67 9.835 12.473 -2.241 1.00 62.41 C ATOM 1128 NH1 ARG A 67 10.979 12.605 -2.898 1.00 54.44 N ATOM 1129 NH2 ARG A 67 9.593 13.233 -1.181 1.00 71.35 N ATOM 0 H ARG A 67 6.892 6.179 -4.642 1.00 30.11 H new ATOM 0 HA ARG A 67 5.963 8.313 -2.813 1.00 71.31 H new ATOM 0 HB2 ARG A 67 8.331 8.410 -2.995 1.00 4.44 H new ATOM 0 HB3 ARG A 67 8.307 8.039 -4.708 1.00 4.44 H new ATOM 0 HG2 ARG A 67 7.686 10.214 -5.317 1.00 73.13 H new ATOM 0 HG3 ARG A 67 6.979 10.567 -3.753 1.00 73.13 H new ATOM 0 HD2 ARG A 67 9.840 9.929 -3.549 1.00 14.53 H new ATOM 0 HD3 ARG A 67 9.545 11.282 -4.623 1.00 14.53 H new ATOM 0 HE ARG A 67 8.063 11.508 -2.118 1.00 64.53 H new ATOM 0 HH11 ARG A 67 11.168 12.023 -3.714 1.00 54.44 H new ATOM 0 HH12 ARG A 67 11.670 13.288 -2.587 1.00 54.44 H new ATOM 0 HH21 ARG A 67 8.714 13.135 -0.674 1.00 71.35 H new ATOM 0 HH22 ARG A 67 10.286 13.915 -0.873 1.00 71.35 H new ATOM 1143 N VAL A 68 4.465 9.352 -4.469 1.00 5.24 N ATOM 1144 CA VAL A 68 3.535 9.955 -5.415 1.00 12.51 C ATOM 1145 C VAL A 68 3.389 11.452 -5.166 1.00 74.24 C ATOM 1146 O VAL A 68 3.818 11.964 -4.132 1.00 52.10 O ATOM 1147 CB VAL A 68 2.147 9.294 -5.333 1.00 14.33 C ATOM 1148 CG1 VAL A 68 2.235 7.819 -5.691 1.00 44.43 C ATOM 1149 CG2 VAL A 68 1.549 9.480 -3.947 1.00 14.11 C ATOM 0 H VAL A 68 4.274 9.572 -3.491 1.00 5.24 H new ATOM 0 HA VAL A 68 3.948 9.795 -6.411 1.00 12.51 H new ATOM 0 HB VAL A 68 1.490 9.779 -6.055 1.00 14.33 H new ATOM 0 HG11 VAL A 68 1.244 7.369 -5.627 1.00 44.43 H new ATOM 0 HG12 VAL A 68 2.617 7.713 -6.706 1.00 44.43 H new ATOM 0 HG13 VAL A 68 2.907 7.315 -4.996 1.00 44.43 H new ATOM 0 HG21 VAL A 68 0.568 9.006 -3.907 1.00 14.11 H new ATOM 0 HG22 VAL A 68 2.203 9.023 -3.204 1.00 14.11 H new ATOM 0 HG23 VAL A 68 1.447 10.544 -3.735 1.00 14.11 H new ATOM 1159 N ARG A 69 2.779 12.149 -6.120 1.00 74.13 N ATOM 1160 CA ARG A 69 2.577 13.587 -6.003 1.00 13.44 C ATOM 1161 C ARG A 69 1.091 13.933 -6.051 1.00 41.22 C ATOM 1162 O ARG A 69 0.304 13.244 -6.697 1.00 41.44 O ATOM 1163 CB ARG A 69 3.318 14.320 -7.124 1.00 54.40 C ATOM 1164 CG ARG A 69 3.361 15.829 -6.940 1.00 71.04 C ATOM 1165 CD ARG A 69 2.797 16.554 -8.153 1.00 65.34 C ATOM 1166 NE ARG A 69 3.826 16.828 -9.154 1.00 34.33 N ATOM 1167 CZ ARG A 69 3.569 17.350 -10.347 1.00 13.02 C ATOM 1168 NH1 ARG A 69 2.323 17.654 -10.688 1.00 21.03 N ATOM 1169 NH2 ARG A 69 4.557 17.571 -11.204 1.00 24.45 N ATOM 0 H ARG A 69 2.417 11.741 -6.982 1.00 74.13 H new ATOM 0 HA ARG A 69 2.977 13.908 -5.041 1.00 13.44 H new ATOM 0 HB2 ARG A 69 4.338 13.940 -7.183 1.00 54.40 H new ATOM 0 HB3 ARG A 69 2.838 14.092 -8.075 1.00 54.40 H new ATOM 0 HG2 ARG A 69 2.792 16.105 -6.052 1.00 71.04 H new ATOM 0 HG3 ARG A 69 4.390 16.147 -6.770 1.00 71.04 H new ATOM 0 HD2 ARG A 69 2.007 15.951 -8.601 1.00 65.34 H new ATOM 0 HD3 ARG A 69 2.341 17.492 -7.835 1.00 65.34 H new ATOM 0 HE ARG A 69 4.794 16.606 -8.923 1.00 34.33 H new ATOM 0 HH11 ARG A 69 1.560 17.487 -10.033 1.00 21.03 H new ATOM 0 HH12 ARG A 69 2.129 18.055 -11.606 1.00 21.03 H new ATOM 0 HH21 ARG A 69 5.517 17.340 -10.947 1.00 24.45 H new ATOM 0 HH22 ARG A 69 4.357 17.972 -12.120 1.00 24.45 H new ATOM 1183 N ASN A 70 0.716 15.005 -5.361 1.00 44.12 N ATOM 1184 CA ASN A 70 -0.675 15.442 -5.324 1.00 63.42 C ATOM 1185 C ASN A 70 -0.861 16.735 -6.112 1.00 33.42 C ATOM 1186 O ASN A 70 0.090 17.266 -6.686 1.00 71.20 O ATOM 1187 CB ASN A 70 -1.129 15.642 -3.876 1.00 13.34 C ATOM 1188 CG ASN A 70 0.033 15.891 -2.934 1.00 40.51 C ATOM 1189 OD1 ASN A 70 0.504 14.976 -2.257 1.00 33.25 O ATOM 1190 ND2 ASN A 70 0.502 17.132 -2.888 1.00 15.31 N ATOM 0 H ASN A 70 1.356 15.587 -4.820 1.00 44.12 H new ATOM 0 HA ASN A 70 -1.286 14.667 -5.786 1.00 63.42 H new ATOM 0 HB2 ASN A 70 -1.819 16.484 -3.828 1.00 13.34 H new ATOM 0 HB3 ASN A 70 -1.678 14.761 -3.545 1.00 13.34 H new ATOM 0 HD21 ASN A 70 1.284 17.359 -2.274 1.00 15.31 H new ATOM 0 HD22 ASN A 70 0.080 17.858 -3.467 1.00 15.31 H new ATOM 1197 N ALA A 71 -2.091 17.237 -6.132 1.00 12.51 N ATOM 1198 CA ALA A 71 -2.402 18.469 -6.847 1.00 63.12 C ATOM 1199 C ALA A 71 -1.714 19.668 -6.199 1.00 62.03 C ATOM 1200 O ALA A 71 -1.676 20.756 -6.770 1.00 71.32 O ATOM 1201 CB ALA A 71 -3.906 18.686 -6.896 1.00 15.31 C ATOM 0 H ALA A 71 -2.889 16.810 -5.661 1.00 12.51 H new ATOM 0 HA ALA A 71 -2.027 18.373 -7.866 1.00 63.12 H new ATOM 0 HB1 ALA A 71 -4.123 19.609 -7.433 1.00 15.31 H new ATOM 0 HB2 ALA A 71 -4.378 17.848 -7.409 1.00 15.31 H new ATOM 0 HB3 ALA A 71 -4.297 18.756 -5.881 1.00 15.31 H new ATOM 1207 N ALA A 72 -1.174 19.458 -5.003 1.00 43.23 N ATOM 1208 CA ALA A 72 -0.485 20.520 -4.280 1.00 34.33 C ATOM 1209 C ALA A 72 0.927 20.725 -4.814 1.00 11.50 C ATOM 1210 O ALA A 72 1.675 21.564 -4.315 1.00 14.54 O ATOM 1211 CB ALA A 72 -0.448 20.205 -2.791 1.00 5.02 C ATOM 0 H ALA A 72 -1.200 18.563 -4.515 1.00 43.23 H new ATOM 0 HA ALA A 72 -1.039 21.447 -4.432 1.00 34.33 H new ATOM 0 HB1 ALA A 72 0.069 21.006 -2.262 1.00 5.02 H new ATOM 0 HB2 ALA A 72 -1.466 20.119 -2.412 1.00 5.02 H new ATOM 0 HB3 ALA A 72 0.080 19.265 -2.631 1.00 5.02 H new ATOM 1217 N ASN A 73 1.285 19.951 -5.835 1.00 44.11 N ATOM 1218 CA ASN A 73 2.611 20.047 -6.437 1.00 34.14 C ATOM 1219 C ASN A 73 3.689 19.603 -5.454 1.00 51.42 C ATOM 1220 O ASN A 73 4.837 20.040 -5.537 1.00 21.13 O ATOM 1221 CB ASN A 73 2.882 21.482 -6.895 1.00 51.20 C ATOM 1222 CG ASN A 73 1.622 22.192 -7.354 1.00 61.15 C ATOM 1223 OD1 ASN A 73 0.979 21.776 -8.318 1.00 15.42 O ATOM 1224 ND2 ASN A 73 1.263 23.266 -6.662 1.00 3.11 N ATOM 0 H ASN A 73 0.677 19.252 -6.262 1.00 44.11 H new ATOM 0 HA ASN A 73 2.639 19.384 -7.302 1.00 34.14 H new ATOM 0 HB2 ASN A 73 3.333 22.042 -6.076 1.00 51.20 H new ATOM 0 HB3 ASN A 73 3.606 21.470 -7.710 1.00 51.20 H new ATOM 0 HD21 ASN A 73 0.423 23.783 -6.922 1.00 3.11 H new ATOM 0 HD22 ASN A 73 1.827 23.574 -5.870 1.00 3.11 H new ATOM 1231 N ARG A 74 3.311 18.732 -4.524 1.00 65.24 N ATOM 1232 CA ARG A 74 4.246 18.228 -3.524 1.00 3.13 C ATOM 1233 C ARG A 74 4.376 16.710 -3.617 1.00 3.41 C ATOM 1234 O ARG A 74 3.400 16.007 -3.878 1.00 24.24 O ATOM 1235 CB ARG A 74 3.787 18.626 -2.120 1.00 45.42 C ATOM 1236 CG ARG A 74 4.894 18.569 -1.079 1.00 55.02 C ATOM 1237 CD ARG A 74 5.296 19.961 -0.618 1.00 32.13 C ATOM 1238 NE ARG A 74 6.634 19.978 -0.031 1.00 75.15 N ATOM 1239 CZ ARG A 74 7.751 19.931 -0.748 1.00 41.21 C ATOM 1240 NH1 ARG A 74 7.691 19.867 -2.071 1.00 53.30 N ATOM 1241 NH2 ARG A 74 8.931 19.952 -0.142 1.00 55.02 N ATOM 0 H ARG A 74 2.365 18.361 -4.442 1.00 65.24 H new ATOM 0 HA ARG A 74 5.222 18.672 -3.719 1.00 3.13 H new ATOM 0 HB2 ARG A 74 3.382 19.637 -2.152 1.00 45.42 H new ATOM 0 HB3 ARG A 74 2.975 17.967 -1.812 1.00 45.42 H new ATOM 0 HG2 ARG A 74 4.560 17.983 -0.223 1.00 55.02 H new ATOM 0 HG3 ARG A 74 5.762 18.058 -1.496 1.00 55.02 H new ATOM 0 HD2 ARG A 74 5.263 20.647 -1.464 1.00 32.13 H new ATOM 0 HD3 ARG A 74 4.574 20.323 0.114 1.00 32.13 H new ATOM 0 HE ARG A 74 6.715 20.029 0.985 1.00 75.15 H new ATOM 0 HH11 ARG A 74 6.786 19.854 -2.540 1.00 53.30 H new ATOM 0 HH12 ARG A 74 8.550 19.831 -2.619 1.00 53.30 H new ATOM 0 HH21 ARG A 74 8.981 20.004 0.875 1.00 55.02 H new ATOM 0 HH22 ARG A 74 9.788 19.916 -0.694 1.00 55.02 H new ATOM 1255 N THR A 75 5.591 16.212 -3.404 1.00 51.31 N ATOM 1256 CA THR A 75 5.849 14.779 -3.465 1.00 14.53 C ATOM 1257 C THR A 75 6.171 14.219 -2.085 1.00 13.12 C ATOM 1258 O THR A 75 7.045 14.729 -1.385 1.00 52.00 O ATOM 1259 CB THR A 75 7.014 14.459 -4.421 1.00 21.12 C ATOM 1260 OG1 THR A 75 8.244 14.955 -3.879 1.00 32.41 O ATOM 1261 CG2 THR A 75 6.775 15.075 -5.791 1.00 71.41 C ATOM 0 H THR A 75 6.410 16.780 -3.188 1.00 51.31 H new ATOM 0 HA THR A 75 4.940 14.310 -3.841 1.00 14.53 H new ATOM 0 HB THR A 75 7.076 13.376 -4.532 1.00 21.12 H new ATOM 0 HG1 THR A 75 8.166 15.029 -2.905 1.00 32.41 H new ATOM 0 HG21 THR A 75 7.611 14.835 -6.448 1.00 71.41 H new ATOM 0 HG22 THR A 75 5.854 14.674 -6.214 1.00 71.41 H new ATOM 0 HG23 THR A 75 6.689 16.157 -5.693 1.00 71.41 H new ATOM 1269 N GLY A 76 5.460 13.165 -1.698 1.00 33.51 N ATOM 1270 CA GLY A 76 5.685 12.553 -0.401 1.00 34.20 C ATOM 1271 C GLY A 76 5.810 11.044 -0.487 1.00 71.40 C ATOM 1272 O GLY A 76 5.862 10.480 -1.579 1.00 44.02 O ATOM 0 H GLY A 76 4.732 12.723 -2.259 1.00 33.51 H new ATOM 0 HA2 GLY A 76 6.593 12.965 0.040 1.00 34.20 H new ATOM 0 HA3 GLY A 76 4.862 12.809 0.266 1.00 34.20 H new ATOM 1276 N TYR A 77 5.857 10.390 0.669 1.00 5.31 N ATOM 1277 CA TYR A 77 5.981 8.938 0.720 1.00 3.30 C ATOM 1278 C TYR A 77 4.746 8.309 1.356 1.00 75.12 C ATOM 1279 O TYR A 77 4.088 8.918 2.201 1.00 42.23 O ATOM 1280 CB TYR A 77 7.231 8.539 1.505 1.00 72.12 C ATOM 1281 CG TYR A 77 8.501 8.587 0.685 1.00 22.43 C ATOM 1282 CD1 TYR A 77 9.207 9.775 0.532 1.00 14.31 C ATOM 1283 CD2 TYR A 77 8.996 7.446 0.067 1.00 63.44 C ATOM 1284 CE1 TYR A 77 10.367 9.824 -0.216 1.00 13.42 C ATOM 1285 CE2 TYR A 77 10.157 7.486 -0.682 1.00 13.04 C ATOM 1286 CZ TYR A 77 10.838 8.676 -0.821 1.00 12.40 C ATOM 1287 OH TYR A 77 11.994 8.720 -1.566 1.00 23.41 O ATOM 0 H TYR A 77 5.811 10.842 1.582 1.00 5.31 H new ATOM 0 HA TYR A 77 6.069 8.570 -0.302 1.00 3.30 H new ATOM 0 HB2 TYR A 77 7.338 9.202 2.364 1.00 72.12 H new ATOM 0 HB3 TYR A 77 7.098 7.530 1.895 1.00 72.12 H new ATOM 0 HD1 TYR A 77 8.842 10.674 1.006 1.00 14.31 H new ATOM 0 HD2 TYR A 77 8.465 6.512 0.173 1.00 63.44 H new ATOM 0 HE1 TYR A 77 10.903 10.755 -0.327 1.00 13.42 H new ATOM 0 HE2 TYR A 77 10.529 6.589 -1.156 1.00 13.04 H new ATOM 0 HH TYR A 77 12.188 7.828 -1.922 1.00 23.41 H new ATOM 1297 N VAL A 78 4.435 7.083 0.946 1.00 2.20 N ATOM 1298 CA VAL A 78 3.280 6.368 1.474 1.00 4.04 C ATOM 1299 C VAL A 78 3.460 4.859 1.347 1.00 44.51 C ATOM 1300 O VAL A 78 4.086 4.363 0.410 1.00 52.53 O ATOM 1301 CB VAL A 78 1.984 6.782 0.753 1.00 41.22 C ATOM 1302 CG1 VAL A 78 1.496 8.130 1.263 1.00 41.04 C ATOM 1303 CG2 VAL A 78 2.202 6.820 -0.752 1.00 42.43 C ATOM 0 H VAL A 78 4.968 6.564 0.248 1.00 2.20 H new ATOM 0 HA VAL A 78 3.201 6.633 2.528 1.00 4.04 H new ATOM 0 HB VAL A 78 1.216 6.039 0.968 1.00 41.22 H new ATOM 0 HG11 VAL A 78 0.579 8.406 0.742 1.00 41.04 H new ATOM 0 HG12 VAL A 78 1.300 8.065 2.333 1.00 41.04 H new ATOM 0 HG13 VAL A 78 2.259 8.886 1.080 1.00 41.04 H new ATOM 0 HG21 VAL A 78 1.276 7.114 -1.246 1.00 42.43 H new ATOM 0 HG22 VAL A 78 2.985 7.541 -0.988 1.00 42.43 H new ATOM 0 HG23 VAL A 78 2.502 5.832 -1.101 1.00 42.43 H new ATOM 1313 N PRO A 79 2.902 4.113 2.310 1.00 73.55 N ATOM 1314 CA PRO A 79 2.986 2.648 2.326 1.00 13.43 C ATOM 1315 C PRO A 79 2.163 2.008 1.214 1.00 73.42 C ATOM 1316 O PRO A 79 0.960 2.248 1.103 1.00 62.13 O ATOM 1317 CB PRO A 79 2.416 2.276 3.696 1.00 62.21 C ATOM 1318 CG PRO A 79 1.516 3.409 4.054 1.00 42.54 C ATOM 1319 CD PRO A 79 2.142 4.639 3.456 1.00 65.10 C ATOM 0 HA PRO A 79 4.005 2.296 2.163 1.00 13.43 H new ATOM 0 HB2 PRO A 79 1.869 1.334 3.654 1.00 62.21 H new ATOM 0 HB3 PRO A 79 3.209 2.152 4.434 1.00 62.21 H new ATOM 0 HG2 PRO A 79 0.513 3.250 3.659 1.00 42.54 H new ATOM 0 HG3 PRO A 79 1.421 3.506 5.136 1.00 42.54 H new ATOM 0 HD2 PRO A 79 1.388 5.361 3.141 1.00 65.10 H new ATOM 0 HD3 PRO A 79 2.791 5.147 4.169 1.00 65.10 H new ATOM 1327 N SER A 80 2.817 1.194 0.393 1.00 15.32 N ATOM 1328 CA SER A 80 2.145 0.521 -0.713 1.00 43.10 C ATOM 1329 C SER A 80 0.978 -0.322 -0.206 1.00 10.51 C ATOM 1330 O SER A 80 0.069 -0.661 -0.965 1.00 64.24 O ATOM 1331 CB SER A 80 3.134 -0.363 -1.475 1.00 12.52 C ATOM 1332 OG SER A 80 2.467 -1.166 -2.433 1.00 15.32 O ATOM 0 H SER A 80 3.812 0.984 0.472 1.00 15.32 H new ATOM 0 HA SER A 80 1.755 1.283 -1.388 1.00 43.10 H new ATOM 0 HB2 SER A 80 3.876 0.261 -1.973 1.00 12.52 H new ATOM 0 HB3 SER A 80 3.672 -1.000 -0.773 1.00 12.52 H new ATOM 0 HG SER A 80 2.519 -0.737 -3.313 1.00 15.32 H new ATOM 1338 N ASN A 81 1.009 -0.654 1.079 1.00 43.43 N ATOM 1339 CA ASN A 81 -0.046 -1.457 1.687 1.00 64.11 C ATOM 1340 C ASN A 81 -1.345 -0.664 1.786 1.00 44.01 C ATOM 1341 O ASN A 81 -2.436 -1.234 1.756 1.00 42.10 O ATOM 1342 CB ASN A 81 0.384 -1.931 3.078 1.00 34.44 C ATOM 1343 CG ASN A 81 1.392 -3.061 3.019 1.00 15.14 C ATOM 1344 OD1 ASN A 81 1.934 -3.370 1.958 1.00 12.42 O ATOM 1345 ND2 ASN A 81 1.649 -3.686 4.163 1.00 51.51 N ATOM 0 H ASN A 81 1.753 -0.380 1.721 1.00 43.43 H new ATOM 0 HA ASN A 81 -0.220 -2.326 1.052 1.00 64.11 H new ATOM 0 HB2 ASN A 81 0.814 -1.093 3.627 1.00 34.44 H new ATOM 0 HB3 ASN A 81 -0.494 -2.260 3.634 1.00 34.44 H new ATOM 0 HD21 ASN A 81 2.319 -4.455 4.185 1.00 51.51 H new ATOM 0 HD22 ASN A 81 1.177 -3.397 5.019 1.00 51.51 H new ATOM 1352 N TYR A 82 -1.220 0.653 1.901 1.00 5.13 N ATOM 1353 CA TYR A 82 -2.383 1.526 2.005 1.00 52.23 C ATOM 1354 C TYR A 82 -2.718 2.152 0.655 1.00 71.21 C ATOM 1355 O TYR A 82 -3.632 2.969 0.545 1.00 61.22 O ATOM 1356 CB TYR A 82 -2.134 2.623 3.041 1.00 71.35 C ATOM 1357 CG TYR A 82 -1.965 2.099 4.450 1.00 43.21 C ATOM 1358 CD1 TYR A 82 -0.833 1.379 4.812 1.00 42.22 C ATOM 1359 CD2 TYR A 82 -2.937 2.321 5.416 1.00 15.14 C ATOM 1360 CE1 TYR A 82 -0.674 0.898 6.098 1.00 72.21 C ATOM 1361 CE2 TYR A 82 -2.786 1.845 6.704 1.00 24.13 C ATOM 1362 CZ TYR A 82 -1.653 1.134 7.040 1.00 31.21 C ATOM 1363 OH TYR A 82 -1.500 0.656 8.321 1.00 30.33 O ATOM 0 H TYR A 82 -0.324 1.140 1.925 1.00 5.13 H new ATOM 0 HA TYR A 82 -3.231 0.920 2.324 1.00 52.23 H new ATOM 0 HB2 TYR A 82 -1.240 3.180 2.760 1.00 71.35 H new ATOM 0 HB3 TYR A 82 -2.967 3.326 3.021 1.00 71.35 H new ATOM 0 HD1 TYR A 82 -0.065 1.192 4.076 1.00 42.22 H new ATOM 0 HD2 TYR A 82 -3.827 2.875 5.156 1.00 15.14 H new ATOM 0 HE1 TYR A 82 0.212 0.340 6.364 1.00 72.21 H new ATOM 0 HE2 TYR A 82 -3.551 2.029 7.444 1.00 24.13 H new ATOM 0 HH TYR A 82 -1.272 -0.297 8.290 1.00 30.33 H new ATOM 1373 N VAL A 83 -1.969 1.763 -0.373 1.00 64.50 N ATOM 1374 CA VAL A 83 -2.185 2.283 -1.718 1.00 33.24 C ATOM 1375 C VAL A 83 -2.356 1.152 -2.724 1.00 23.51 C ATOM 1376 O VAL A 83 -1.935 0.021 -2.480 1.00 23.53 O ATOM 1377 CB VAL A 83 -1.018 3.182 -2.165 1.00 4.40 C ATOM 1378 CG1 VAL A 83 0.020 2.370 -2.925 1.00 43.51 C ATOM 1379 CG2 VAL A 83 -1.530 4.336 -3.013 1.00 2.44 C ATOM 0 H VAL A 83 -1.207 1.089 -0.299 1.00 64.50 H new ATOM 0 HA VAL A 83 -3.099 2.876 -1.685 1.00 33.24 H new ATOM 0 HB VAL A 83 -0.541 3.597 -1.277 1.00 4.40 H new ATOM 0 HG11 VAL A 83 0.837 3.022 -3.233 1.00 43.51 H new ATOM 0 HG12 VAL A 83 0.408 1.581 -2.281 1.00 43.51 H new ATOM 0 HG13 VAL A 83 -0.441 1.924 -3.807 1.00 43.51 H new ATOM 0 HG21 VAL A 83 -0.692 4.961 -3.320 1.00 2.44 H new ATOM 0 HG22 VAL A 83 -2.033 3.943 -3.897 1.00 2.44 H new ATOM 0 HG23 VAL A 83 -2.233 4.932 -2.431 1.00 2.44 H new ATOM 1389 N GLU A 84 -2.976 1.463 -3.857 1.00 3.13 N ATOM 1390 CA GLU A 84 -3.204 0.472 -4.902 1.00 63.45 C ATOM 1391 C GLU A 84 -3.492 1.146 -6.240 1.00 1.21 C ATOM 1392 O GLU A 84 -4.448 1.910 -6.368 1.00 54.24 O ATOM 1393 CB GLU A 84 -4.366 -0.448 -4.520 1.00 30.45 C ATOM 1394 CG GLU A 84 -4.801 -1.377 -5.641 1.00 24.14 C ATOM 1395 CD GLU A 84 -6.157 -1.011 -6.210 1.00 70.34 C ATOM 1396 OE1 GLU A 84 -6.522 0.181 -6.155 1.00 60.43 O ATOM 1397 OE2 GLU A 84 -6.855 -1.919 -6.710 1.00 43.33 O ATOM 0 H GLU A 84 -3.330 2.394 -4.075 1.00 3.13 H new ATOM 0 HA GLU A 84 -2.297 -0.124 -5.004 1.00 63.45 H new ATOM 0 HB2 GLU A 84 -4.076 -1.046 -3.656 1.00 30.45 H new ATOM 0 HB3 GLU A 84 -5.216 0.162 -4.215 1.00 30.45 H new ATOM 0 HG2 GLU A 84 -4.058 -1.351 -6.438 1.00 24.14 H new ATOM 0 HG3 GLU A 84 -4.832 -2.401 -5.268 1.00 24.14 H new ATOM 1404 N ARG A 85 -2.657 0.858 -7.233 1.00 53.05 N ATOM 1405 CA ARG A 85 -2.821 1.437 -8.562 1.00 25.22 C ATOM 1406 C ARG A 85 -4.222 1.169 -9.103 1.00 22.24 C ATOM 1407 O ARG A 85 -4.668 0.022 -9.159 1.00 15.33 O ATOM 1408 CB ARG A 85 -1.772 0.870 -9.521 1.00 33.55 C ATOM 1409 CG ARG A 85 -0.490 1.685 -9.572 1.00 60.41 C ATOM 1410 CD ARG A 85 0.615 1.034 -8.754 1.00 30.54 C ATOM 1411 NE ARG A 85 0.911 -0.320 -9.214 1.00 11.11 N ATOM 1412 CZ ARG A 85 1.599 -0.587 -10.319 1.00 63.41 C ATOM 1413 NH1 ARG A 85 2.058 0.402 -11.073 1.00 23.42 N ATOM 1414 NH2 ARG A 85 1.827 -1.846 -10.672 1.00 45.20 N ATOM 0 H ARG A 85 -1.860 0.228 -7.143 1.00 53.05 H new ATOM 0 HA ARG A 85 -2.683 2.515 -8.482 1.00 25.22 H new ATOM 0 HB2 ARG A 85 -1.532 -0.150 -9.222 1.00 33.55 H new ATOM 0 HB3 ARG A 85 -2.199 0.817 -10.523 1.00 33.55 H new ATOM 0 HG2 ARG A 85 -0.165 1.790 -10.607 1.00 60.41 H new ATOM 0 HG3 ARG A 85 -0.681 2.690 -9.194 1.00 60.41 H new ATOM 0 HD2 ARG A 85 1.517 1.643 -8.814 1.00 30.54 H new ATOM 0 HD3 ARG A 85 0.320 1.004 -7.705 1.00 30.54 H new ATOM 0 HE ARG A 85 0.571 -1.104 -8.657 1.00 11.11 H new ATOM 0 HH11 ARG A 85 1.883 1.371 -10.805 1.00 23.42 H new ATOM 0 HH12 ARG A 85 2.586 0.194 -11.921 1.00 23.42 H new ATOM 0 HH21 ARG A 85 1.474 -2.609 -10.095 1.00 45.20 H new ATOM 0 HH22 ARG A 85 2.355 -2.050 -11.520 1.00 45.20 H new ATOM 1428 N LYS A 86 -4.912 2.232 -9.501 1.00 2.13 N ATOM 1429 CA LYS A 86 -6.261 2.113 -10.037 1.00 51.53 C ATOM 1430 C LYS A 86 -7.190 1.441 -9.032 1.00 34.54 C ATOM 1431 O LYS A 86 -8.012 0.598 -9.397 1.00 23.21 O ATOM 1432 CB LYS A 86 -6.242 1.314 -11.343 1.00 71.22 C ATOM 1433 CG LYS A 86 -5.722 2.103 -12.533 1.00 21.33 C ATOM 1434 CD LYS A 86 -6.696 3.193 -12.947 1.00 10.14 C ATOM 1435 CE LYS A 86 -7.345 2.882 -14.287 1.00 62.31 C ATOM 1436 NZ LYS A 86 -8.815 3.114 -14.259 1.00 41.52 N ATOM 0 H LYS A 86 -4.557 3.188 -9.462 1.00 2.13 H new ATOM 0 HA LYS A 86 -6.636 3.117 -10.236 1.00 51.53 H new ATOM 0 HB2 LYS A 86 -5.623 0.427 -11.207 1.00 71.22 H new ATOM 0 HB3 LYS A 86 -7.252 0.967 -11.561 1.00 71.22 H new ATOM 0 HG2 LYS A 86 -4.760 2.549 -12.282 1.00 21.33 H new ATOM 0 HG3 LYS A 86 -5.551 1.428 -13.372 1.00 21.33 H new ATOM 0 HD2 LYS A 86 -7.467 3.302 -12.185 1.00 10.14 H new ATOM 0 HD3 LYS A 86 -6.172 4.147 -13.008 1.00 10.14 H new ATOM 0 HE2 LYS A 86 -6.894 3.503 -15.061 1.00 62.31 H new ATOM 0 HE3 LYS A 86 -7.146 1.844 -14.554 1.00 62.31 H new ATOM 0 HZ1 LYS A 86 -9.220 2.891 -15.191 1.00 41.52 H new ATOM 0 HZ2 LYS A 86 -9.249 2.503 -13.538 1.00 41.52 H new ATOM 0 HZ3 LYS A 86 -9.005 4.110 -14.029 1.00 41.52 H new