USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 856 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 63 CYS SG : rot 31:sc= -1.18! USER MOD Set 1.2: A 90 CYS SG : rot 118:sc= 0.395 USER MOD Set 2.1: A 43 TYR OH : rot 34:sc= 1.25 USER MOD Set 2.2: A 46 THR OG1 : rot -91:sc= 2.26 USER MOD Set 3.1: A 32 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 50 THR OG1 : rot 180:sc= 0.00443 USER MOD Single : A 26 GLN : amide:sc= -0.679 X(o=-0.68,f=-0.55) USER MOD Single : A 33 TYR OH : rot -80:sc= -0.694 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 1.15 K(o=1.1,f=-4.8!) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 MET CE :methyl -150:sc= -0.377 (180deg=-1.87!) USER MOD Single : A 52 ASN : amide:sc= 0.0038 X(o=0.0038,f=0) USER MOD Single : A 53 THR OG1 : rot -84:sc= 0.115 USER MOD Single : A 56 SER OG : rot 180:sc= 0.161 USER MOD Single : A 58 GLN : amide:sc= 0.00441 X(o=0.0044,f=0.2) USER MOD Single : A 65 THR OG1 : rot -167:sc= 1.26 USER MOD Single : A 68 GLN : amide:sc= -0.979 K(o=-0.98,f=-0.35) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -145:sc= 0 (180deg=-0.1) USER MOD Single : A 75 ASN : amide:sc= -1.64 X(o=-1.6,f=-1.2) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -102:sc= 0.0651 USER MOD Single : A 82 MET CE :methyl 143:sc= -0.323 (180deg=-3.45!) USER MOD Single : A 83 ASN : amide:sc= -1.47 K(o=-1.5,f=-3.5!) USER MOD Single : A 94 THR OG1 : rot 53:sc= 0.197 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 MET CE :methyl 166:sc= 0 (180deg=-0.264) USER MOD Single : A 98 GLN : amide:sc= 0.402 X(o=0.4,f=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 HIS : no HE2:sc= -0.542 K(o=-0.54,f=-2!) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 109 GLN : amide:sc= -0.309 X(o=-0.31,f=0) USER MOD Single : A 112 ASN : amide:sc= -0.0699 K(o=-0.07,f=-1.3) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc= -0.467 X(o=-0.47,f=-0.2) USER MOD Single : A 120 MET CE :methyl -174:sc= -0.0785 (180deg=-0.156) USER MOD Single : A 121 SER OG : rot 160:sc= 0 USER MOD Single : A 122 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 ASN : amide:sc= -0.0131 K(o=-0.013,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 25 -4.682 -19.853 1.562 1.00 0.00 N ATOM 2 CA GLY A 25 -3.591 -19.451 2.462 1.00 0.00 C ATOM 3 C GLY A 25 -4.151 -19.025 3.807 1.00 0.00 C ATOM 4 O GLY A 25 -5.294 -18.573 3.871 1.00 0.00 O ATOM 0 HA2 GLY A 25 -2.896 -20.280 2.595 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.027 -18.630 2.018 1.00 0.00 H new ATOM 8 N GLN A 26 -3.362 -19.167 4.873 1.00 0.00 N ATOM 9 CA GLN A 26 -3.662 -18.634 6.200 1.00 0.00 C ATOM 10 C GLN A 26 -2.830 -17.366 6.411 1.00 0.00 C ATOM 11 O GLN A 26 -2.578 -16.645 5.453 1.00 0.00 O ATOM 12 CB GLN A 26 -3.512 -19.710 7.290 1.00 0.00 C ATOM 13 CG GLN A 26 -2.168 -20.449 7.307 1.00 0.00 C ATOM 14 CD GLN A 26 -2.181 -21.635 6.354 1.00 0.00 C ATOM 15 OE1 GLN A 26 -3.024 -22.523 6.465 1.00 0.00 O ATOM 16 NE2 GLN A 26 -1.317 -21.654 5.353 1.00 0.00 N ATOM 0 H GLN A 26 -2.475 -19.669 4.835 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.709 -18.342 6.277 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -3.661 -19.241 8.262 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.309 -20.443 7.164 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -1.369 -19.763 7.027 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -1.952 -20.794 8.318 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.620 -20.914 5.267 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -1.348 -22.408 4.667 1.00 0.00 H new ATOM 25 N GLU A 27 -2.441 -17.054 7.642 1.00 0.00 N ATOM 26 CA GLU A 27 -1.449 -16.041 7.935 1.00 0.00 C ATOM 27 C GLU A 27 -0.074 -16.637 7.624 1.00 0.00 C ATOM 28 O GLU A 27 0.206 -17.777 7.999 1.00 0.00 O ATOM 29 CB GLU A 27 -1.645 -15.592 9.400 1.00 0.00 C ATOM 30 CG GLU A 27 -0.637 -14.530 9.868 1.00 0.00 C ATOM 31 CD GLU A 27 0.522 -15.116 10.686 1.00 0.00 C ATOM 32 OE1 GLU A 27 0.874 -14.524 11.726 1.00 0.00 O ATOM 33 OE2 GLU A 27 1.104 -16.154 10.305 1.00 0.00 O ATOM 0 H GLU A 27 -2.816 -17.509 8.474 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.546 -15.143 7.325 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.654 -15.197 9.516 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.567 -16.464 10.050 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.234 -14.012 8.998 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.157 -13.784 10.469 1.00 0.00 H new ATOM 41 N LEU A 28 0.759 -15.888 6.893 1.00 0.00 N ATOM 42 CA LEU A 28 2.194 -16.163 6.738 1.00 0.00 C ATOM 43 C LEU A 28 3.047 -14.902 6.431 1.00 0.00 C ATOM 44 O LEU A 28 3.486 -14.694 5.301 1.00 0.00 O ATOM 45 CB LEU A 28 2.501 -17.394 5.846 1.00 0.00 C ATOM 46 CG LEU A 28 1.784 -17.626 4.502 1.00 0.00 C ATOM 47 CD1 LEU A 28 0.310 -18.025 4.592 1.00 0.00 C ATOM 48 CD2 LEU A 28 1.813 -16.393 3.624 1.00 0.00 C ATOM 0 H LEU A 28 0.451 -15.060 6.384 1.00 0.00 H new ATOM 0 HA LEU A 28 2.534 -16.468 7.728 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.570 -17.369 5.632 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.319 -18.278 6.457 1.00 0.00 H new ATOM 0 HG LEU A 28 2.351 -18.459 4.087 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.092 -18.162 3.588 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.219 -18.957 5.150 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.249 -17.241 5.103 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.296 -16.601 2.687 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.316 -15.569 4.137 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.847 -16.119 3.415 1.00 0.00 H new ATOM 60 N PRO A 29 3.294 -14.012 7.407 1.00 0.00 N ATOM 61 CA PRO A 29 4.236 -12.910 7.298 1.00 0.00 C ATOM 62 C PRO A 29 5.665 -13.419 7.538 1.00 0.00 C ATOM 63 O PRO A 29 5.918 -14.055 8.563 1.00 0.00 O ATOM 64 CB PRO A 29 3.832 -11.912 8.381 1.00 0.00 C ATOM 65 CG PRO A 29 3.133 -12.765 9.456 1.00 0.00 C ATOM 66 CD PRO A 29 2.707 -14.033 8.721 1.00 0.00 C ATOM 0 HA PRO A 29 4.217 -12.452 6.309 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.701 -11.396 8.788 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.164 -11.147 7.986 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.807 -12.993 10.282 1.00 0.00 H new ATOM 0 HG3 PRO A 29 2.274 -12.244 9.879 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.033 -14.917 9.269 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.620 -14.084 8.651 1.00 0.00 H new ATOM 74 N PRO A 30 6.620 -13.150 6.642 1.00 0.00 N ATOM 75 CA PRO A 30 8.032 -13.346 6.884 1.00 0.00 C ATOM 76 C PRO A 30 8.692 -12.146 7.575 1.00 0.00 C ATOM 77 O PRO A 30 9.816 -12.316 8.040 1.00 0.00 O ATOM 78 CB PRO A 30 8.638 -13.572 5.501 1.00 0.00 C ATOM 79 CG PRO A 30 7.794 -12.645 4.632 1.00 0.00 C ATOM 80 CD PRO A 30 6.419 -12.687 5.293 1.00 0.00 C ATOM 0 HA PRO A 30 8.195 -14.184 7.562 1.00 0.00 H new ATOM 0 HB2 PRO A 30 9.696 -13.310 5.471 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.559 -14.612 5.185 1.00 0.00 H new ATOM 0 HG2 PRO A 30 8.199 -11.633 4.614 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.753 -12.991 3.599 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.957 -11.700 5.288 1.00 0.00 H new ATOM 0 HD3 PRO A 30 5.750 -13.355 4.751 1.00 0.00 H new ATOM 88 N GLY A 31 8.047 -10.969 7.673 1.00 0.00 N ATOM 89 CA GLY A 31 8.737 -9.776 8.146 1.00 0.00 C ATOM 90 C GLY A 31 9.442 -9.122 6.965 1.00 0.00 C ATOM 91 O GLY A 31 10.626 -9.369 6.728 1.00 0.00 O ATOM 0 H GLY A 31 7.066 -10.829 7.433 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.027 -9.081 8.595 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.459 -10.038 8.920 1.00 0.00 H new ATOM 95 N THR A 32 8.678 -8.318 6.225 1.00 0.00 N ATOM 96 CA THR A 32 9.027 -7.709 4.941 1.00 0.00 C ATOM 97 C THR A 32 9.289 -8.747 3.849 1.00 0.00 C ATOM 98 O THR A 32 9.683 -9.890 4.073 1.00 0.00 O ATOM 99 CB THR A 32 10.123 -6.634 5.130 1.00 0.00 C ATOM 100 OG1 THR A 32 9.656 -5.740 6.118 1.00 0.00 O ATOM 101 CG2 THR A 32 10.427 -5.784 3.878 1.00 0.00 C ATOM 0 H THR A 32 7.739 -8.058 6.526 1.00 0.00 H new ATOM 0 HA THR A 32 8.162 -7.169 4.556 1.00 0.00 H new ATOM 0 HB THR A 32 11.040 -7.166 5.384 1.00 0.00 H new ATOM 0 HG1 THR A 32 10.326 -5.041 6.269 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.208 -5.060 4.111 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.764 -6.434 3.070 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.524 -5.257 3.568 1.00 0.00 H new ATOM 109 N TYR A 33 8.935 -8.373 2.629 1.00 0.00 N ATOM 110 CA TYR A 33 9.226 -9.084 1.401 1.00 0.00 C ATOM 111 C TYR A 33 9.331 -8.034 0.299 1.00 0.00 C ATOM 112 O TYR A 33 9.011 -6.870 0.540 1.00 0.00 O ATOM 113 CB TYR A 33 8.155 -10.160 1.113 1.00 0.00 C ATOM 114 CG TYR A 33 6.824 -9.715 0.536 1.00 0.00 C ATOM 115 CD1 TYR A 33 6.256 -8.474 0.866 1.00 0.00 C ATOM 116 CD2 TYR A 33 6.124 -10.580 -0.318 1.00 0.00 C ATOM 117 CE1 TYR A 33 5.009 -8.075 0.374 1.00 0.00 C ATOM 118 CE2 TYR A 33 4.902 -10.165 -0.869 1.00 0.00 C ATOM 119 CZ TYR A 33 4.344 -8.912 -0.530 1.00 0.00 C ATOM 120 OH TYR A 33 3.185 -8.486 -1.090 1.00 0.00 O ATOM 0 H TYR A 33 8.407 -7.516 2.464 1.00 0.00 H new ATOM 0 HA TYR A 33 10.165 -9.633 1.470 1.00 0.00 H new ATOM 0 HB2 TYR A 33 8.589 -10.885 0.425 1.00 0.00 H new ATOM 0 HB3 TYR A 33 7.953 -10.686 2.046 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.799 -7.807 1.520 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.522 -11.557 -0.549 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.568 -7.140 0.685 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.382 -10.811 -1.561 1.00 0.00 H new ATOM 0 HH TYR A 33 2.448 -8.617 -0.457 1.00 0.00 H new ATOM 130 N ARG A 34 9.722 -8.405 -0.915 1.00 0.00 N ATOM 131 CA ARG A 34 9.859 -7.460 -2.018 1.00 0.00 C ATOM 132 C ARG A 34 9.219 -8.098 -3.233 1.00 0.00 C ATOM 133 O ARG A 34 9.481 -9.271 -3.492 1.00 0.00 O ATOM 134 CB ARG A 34 11.351 -7.124 -2.156 1.00 0.00 C ATOM 135 CG ARG A 34 11.673 -6.098 -3.243 1.00 0.00 C ATOM 136 CD ARG A 34 11.891 -6.734 -4.600 1.00 0.00 C ATOM 137 NE ARG A 34 13.173 -7.463 -4.630 1.00 0.00 N ATOM 138 CZ ARG A 34 14.219 -7.092 -5.368 1.00 0.00 C ATOM 139 NH1 ARG A 34 14.031 -6.362 -6.465 1.00 0.00 N ATOM 140 NH2 ARG A 34 15.445 -7.439 -5.013 1.00 0.00 N ATOM 0 H ARG A 34 9.953 -9.367 -1.162 1.00 0.00 H new ATOM 0 HA ARG A 34 9.350 -6.508 -1.866 1.00 0.00 H new ATOM 0 HB2 ARG A 34 11.716 -6.748 -1.200 1.00 0.00 H new ATOM 0 HB3 ARG A 34 11.899 -8.042 -2.367 1.00 0.00 H new ATOM 0 HG2 ARG A 34 10.857 -5.378 -3.310 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.566 -5.542 -2.959 1.00 0.00 H new ATOM 0 HD2 ARG A 34 11.072 -7.418 -4.823 1.00 0.00 H new ATOM 0 HD3 ARG A 34 11.885 -5.966 -5.373 1.00 0.00 H new ATOM 0 HE ARG A 34 13.264 -8.299 -4.053 1.00 0.00 H new ATOM 0 HH11 ARG A 34 13.088 -6.088 -6.739 1.00 0.00 H new ATOM 0 HH12 ARG A 34 14.830 -6.077 -7.031 1.00 0.00 H new ATOM 0 HH21 ARG A 34 15.594 -7.994 -4.170 1.00 0.00 H new ATOM 0 HH22 ARG A 34 16.241 -7.152 -5.582 1.00 0.00 H new ATOM 154 N VAL A 35 8.320 -7.371 -3.904 1.00 0.00 N ATOM 155 CA VAL A 35 7.435 -7.913 -4.937 1.00 0.00 C ATOM 156 C VAL A 35 7.014 -6.831 -5.925 1.00 0.00 C ATOM 157 O VAL A 35 7.319 -5.655 -5.718 1.00 0.00 O ATOM 158 CB VAL A 35 6.168 -8.508 -4.296 1.00 0.00 C ATOM 159 CG1 VAL A 35 6.513 -9.754 -3.495 1.00 0.00 C ATOM 160 CG2 VAL A 35 5.385 -7.506 -3.436 1.00 0.00 C ATOM 0 H VAL A 35 8.186 -6.373 -3.741 1.00 0.00 H new ATOM 0 HA VAL A 35 7.988 -8.688 -5.467 1.00 0.00 H new ATOM 0 HB VAL A 35 5.506 -8.778 -5.119 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.606 -10.162 -3.048 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.960 -10.498 -4.154 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.221 -9.496 -2.707 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.506 -7.995 -3.017 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.021 -7.147 -2.627 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.072 -6.664 -4.053 1.00 0.00 H new ATOM 170 N ASP A 36 6.262 -7.228 -6.957 1.00 0.00 N ATOM 171 CA ASP A 36 5.608 -6.333 -7.889 1.00 0.00 C ATOM 172 C ASP A 36 4.315 -5.899 -7.209 1.00 0.00 C ATOM 173 O ASP A 36 3.457 -6.719 -6.875 1.00 0.00 O ATOM 174 CB ASP A 36 5.339 -7.046 -9.222 1.00 0.00 C ATOM 175 CG ASP A 36 6.643 -7.355 -9.957 1.00 0.00 C ATOM 176 OD1 ASP A 36 6.983 -8.551 -10.115 1.00 0.00 O ATOM 177 OD2 ASP A 36 7.361 -6.411 -10.355 1.00 0.00 O ATOM 0 H ASP A 36 6.093 -8.212 -7.164 1.00 0.00 H new ATOM 0 HA ASP A 36 6.228 -5.469 -8.129 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.794 -7.972 -9.039 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.704 -6.421 -9.850 1.00 0.00 H new ATOM 183 N ILE A 37 4.210 -4.611 -6.919 1.00 0.00 N ATOM 184 CA ILE A 37 3.033 -3.995 -6.337 1.00 0.00 C ATOM 185 C ILE A 37 2.054 -3.745 -7.489 1.00 0.00 C ATOM 186 O ILE A 37 2.460 -3.335 -8.584 1.00 0.00 O ATOM 187 CB ILE A 37 3.452 -2.691 -5.623 1.00 0.00 C ATOM 188 CG1 ILE A 37 4.448 -2.965 -4.468 1.00 0.00 C ATOM 189 CG2 ILE A 37 2.232 -1.925 -5.077 1.00 0.00 C ATOM 190 CD1 ILE A 37 5.426 -1.800 -4.277 1.00 0.00 C ATOM 0 H ILE A 37 4.966 -3.948 -7.088 1.00 0.00 H new ATOM 0 HA ILE A 37 2.552 -4.626 -5.589 1.00 0.00 H new ATOM 0 HB ILE A 37 3.947 -2.074 -6.373 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.896 -3.133 -3.543 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.005 -3.878 -4.677 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.567 -1.014 -4.582 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.566 -1.667 -5.900 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.699 -2.552 -4.362 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.109 -2.028 -3.459 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.996 -1.649 -5.194 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.870 -0.892 -4.043 1.00 0.00 H new ATOM 202 N TYR A 38 0.769 -3.965 -7.235 1.00 0.00 N ATOM 203 CA TYR A 38 -0.288 -4.042 -8.223 1.00 0.00 C ATOM 204 C TYR A 38 -1.539 -3.408 -7.617 1.00 0.00 C ATOM 205 O TYR A 38 -1.894 -3.690 -6.472 1.00 0.00 O ATOM 206 CB TYR A 38 -0.515 -5.524 -8.563 1.00 0.00 C ATOM 207 CG TYR A 38 -0.479 -5.819 -10.040 1.00 0.00 C ATOM 208 CD1 TYR A 38 0.748 -6.103 -10.670 1.00 0.00 C ATOM 209 CD2 TYR A 38 -1.678 -5.839 -10.770 1.00 0.00 C ATOM 210 CE1 TYR A 38 0.774 -6.364 -12.052 1.00 0.00 C ATOM 211 CE2 TYR A 38 -1.657 -6.126 -12.145 1.00 0.00 C ATOM 212 CZ TYR A 38 -0.431 -6.365 -12.796 1.00 0.00 C ATOM 213 OH TYR A 38 -0.447 -6.607 -14.133 1.00 0.00 O ATOM 0 H TYR A 38 0.424 -4.101 -6.285 1.00 0.00 H new ATOM 0 HA TYR A 38 -0.034 -3.511 -9.141 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.246 -6.123 -8.063 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -1.480 -5.836 -8.163 1.00 0.00 H new ATOM 0 HD1 TYR A 38 1.663 -6.120 -10.096 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -2.616 -5.634 -10.275 1.00 0.00 H new ATOM 0 HE1 TYR A 38 1.713 -6.564 -12.546 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -2.581 -6.163 -12.703 1.00 0.00 H new ATOM 0 HH TYR A 38 -1.369 -6.565 -14.462 1.00 0.00 H new ATOM 223 N LEU A 39 -2.203 -2.529 -8.360 1.00 0.00 N ATOM 224 CA LEU A 39 -3.361 -1.779 -7.898 1.00 0.00 C ATOM 225 C LEU A 39 -4.399 -1.734 -9.011 1.00 0.00 C ATOM 226 O LEU A 39 -4.053 -1.372 -10.135 1.00 0.00 O ATOM 227 CB LEU A 39 -2.922 -0.372 -7.480 1.00 0.00 C ATOM 228 CG LEU A 39 -4.113 0.442 -6.940 1.00 0.00 C ATOM 229 CD1 LEU A 39 -3.887 0.830 -5.482 1.00 0.00 C ATOM 230 CD2 LEU A 39 -4.404 1.683 -7.785 1.00 0.00 C ATOM 0 H LEU A 39 -1.943 -2.315 -9.323 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.809 -2.263 -7.030 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.148 -0.441 -6.716 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.482 0.144 -8.333 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.990 -0.202 -7.003 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.741 1.404 -5.122 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.775 -0.071 -4.879 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.984 1.435 -5.402 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.252 2.221 -7.361 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.529 2.333 -7.791 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.639 1.381 -8.806 1.00 0.00 H new ATOM 242 N ASN A 40 -5.658 -2.073 -8.712 1.00 0.00 N ATOM 243 CA ASN A 40 -6.756 -2.160 -9.686 1.00 0.00 C ATOM 244 C ASN A 40 -6.328 -2.884 -10.958 1.00 0.00 C ATOM 245 O ASN A 40 -6.514 -2.401 -12.075 1.00 0.00 O ATOM 246 CB ASN A 40 -7.400 -0.788 -9.967 1.00 0.00 C ATOM 247 CG ASN A 40 -8.163 -0.226 -8.779 1.00 0.00 C ATOM 248 OD1 ASN A 40 -8.549 -0.951 -7.864 1.00 0.00 O ATOM 249 ND2 ASN A 40 -8.397 1.072 -8.770 1.00 0.00 N ATOM 0 H ASN A 40 -5.951 -2.301 -7.762 1.00 0.00 H new ATOM 0 HA ASN A 40 -7.538 -2.769 -9.232 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -6.622 -0.082 -10.257 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.079 -0.880 -10.815 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -8.907 1.493 -7.994 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -8.068 1.655 -9.539 1.00 0.00 H new ATOM 256 N ASN A 41 -5.731 -4.060 -10.772 1.00 0.00 N ATOM 257 CA ASN A 41 -5.179 -4.914 -11.823 1.00 0.00 C ATOM 258 C ASN A 41 -4.316 -4.158 -12.847 1.00 0.00 C ATOM 259 O ASN A 41 -4.295 -4.498 -14.033 1.00 0.00 O ATOM 260 CB ASN A 41 -6.283 -5.785 -12.439 1.00 0.00 C ATOM 261 CG ASN A 41 -6.606 -6.940 -11.513 1.00 0.00 C ATOM 262 OD1 ASN A 41 -5.855 -7.906 -11.425 1.00 0.00 O ATOM 263 ND2 ASN A 41 -7.699 -6.856 -10.784 1.00 0.00 N ATOM 0 H ASN A 41 -5.613 -4.462 -9.842 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.464 -5.593 -11.358 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.177 -5.186 -12.612 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.960 -6.164 -13.409 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -7.935 -7.603 -10.131 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -8.310 -6.044 -10.873 1.00 0.00 H new ATOM 270 N GLY A 42 -3.563 -3.162 -12.387 1.00 0.00 N ATOM 271 CA GLY A 42 -2.459 -2.549 -13.108 1.00 0.00 C ATOM 272 C GLY A 42 -1.219 -2.552 -12.224 1.00 0.00 C ATOM 273 O GLY A 42 -1.315 -2.365 -11.010 1.00 0.00 O ATOM 0 H GLY A 42 -3.713 -2.747 -11.468 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.264 -3.096 -14.031 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.716 -1.528 -13.391 1.00 0.00 H new ATOM 277 N TYR A 43 -0.054 -2.761 -12.825 1.00 0.00 N ATOM 278 CA TYR A 43 1.229 -2.707 -12.147 1.00 0.00 C ATOM 279 C TYR A 43 1.505 -1.294 -11.629 1.00 0.00 C ATOM 280 O TYR A 43 0.994 -0.306 -12.169 1.00 0.00 O ATOM 281 CB TYR A 43 2.301 -3.166 -13.145 1.00 0.00 C ATOM 282 CG TYR A 43 3.737 -3.009 -12.684 1.00 0.00 C ATOM 283 CD1 TYR A 43 4.235 -3.784 -11.619 1.00 0.00 C ATOM 284 CD2 TYR A 43 4.578 -2.079 -13.322 1.00 0.00 C ATOM 285 CE1 TYR A 43 5.567 -3.625 -11.196 1.00 0.00 C ATOM 286 CE2 TYR A 43 5.907 -1.912 -12.901 1.00 0.00 C ATOM 287 CZ TYR A 43 6.408 -2.687 -11.836 1.00 0.00 C ATOM 288 OH TYR A 43 7.696 -2.514 -11.428 1.00 0.00 O ATOM 0 H TYR A 43 0.023 -2.977 -13.819 1.00 0.00 H new ATOM 0 HA TYR A 43 1.234 -3.363 -11.277 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.127 -4.216 -13.380 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.173 -2.606 -14.071 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.594 -4.501 -11.127 1.00 0.00 H new ATOM 0 HD2 TYR A 43 4.198 -1.488 -14.143 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.948 -4.221 -10.380 1.00 0.00 H new ATOM 0 HE2 TYR A 43 6.544 -1.191 -13.392 1.00 0.00 H new ATOM 0 HH TYR A 43 8.059 -3.370 -11.120 1.00 0.00 H new ATOM 298 N MET A 44 2.352 -1.199 -10.604 1.00 0.00 N ATOM 299 CA MET A 44 2.805 0.054 -10.021 1.00 0.00 C ATOM 300 C MET A 44 4.322 0.140 -10.081 1.00 0.00 C ATOM 301 O MET A 44 4.876 0.913 -10.862 1.00 0.00 O ATOM 302 CB MET A 44 2.279 0.197 -8.577 1.00 0.00 C ATOM 303 CG MET A 44 0.797 0.554 -8.544 1.00 0.00 C ATOM 304 SD MET A 44 0.510 2.111 -9.419 1.00 0.00 S ATOM 305 CE MET A 44 -1.145 1.810 -10.036 1.00 0.00 C ATOM 0 H MET A 44 2.751 -2.019 -10.146 1.00 0.00 H new ATOM 0 HA MET A 44 2.402 0.886 -10.599 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.439 -0.737 -8.038 1.00 0.00 H new ATOM 0 HB3 MET A 44 2.849 0.967 -8.057 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.213 -0.243 -9.004 1.00 0.00 H new ATOM 0 HG3 MET A 44 0.459 0.641 -7.511 1.00 0.00 H new ATOM 0 HE1 MET A 44 -1.287 2.347 -10.974 1.00 0.00 H new ATOM 0 HE2 MET A 44 -1.282 0.742 -10.205 1.00 0.00 H new ATOM 0 HE3 MET A 44 -1.875 2.158 -9.305 1.00 0.00 H new ATOM 315 N ALA A 45 4.982 -0.603 -9.206 1.00 0.00 N ATOM 316 CA ALA A 45 6.428 -0.602 -9.008 1.00 0.00 C ATOM 317 C ALA A 45 6.835 -1.921 -8.353 1.00 0.00 C ATOM 318 O ALA A 45 5.973 -2.741 -8.038 1.00 0.00 O ATOM 319 CB ALA A 45 6.824 0.574 -8.112 1.00 0.00 C ATOM 0 H ALA A 45 4.504 -1.255 -8.584 1.00 0.00 H new ATOM 0 HA ALA A 45 6.936 -0.498 -9.967 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.904 0.572 -7.966 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.523 1.509 -8.585 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.327 0.479 -7.147 1.00 0.00 H new ATOM 325 N THR A 46 8.128 -2.111 -8.109 1.00 0.00 N ATOM 326 CA THR A 46 8.675 -3.303 -7.480 1.00 0.00 C ATOM 327 C THR A 46 9.615 -2.845 -6.367 1.00 0.00 C ATOM 328 O THR A 46 10.684 -2.313 -6.674 1.00 0.00 O ATOM 329 CB THR A 46 9.398 -4.168 -8.528 1.00 0.00 C ATOM 330 OG1 THR A 46 8.627 -4.252 -9.714 1.00 0.00 O ATOM 331 CG2 THR A 46 9.693 -5.565 -7.992 1.00 0.00 C ATOM 0 H THR A 46 8.840 -1.422 -8.350 1.00 0.00 H new ATOM 0 HA THR A 46 7.887 -3.923 -7.053 1.00 0.00 H new ATOM 0 HB THR A 46 10.350 -3.688 -8.755 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.043 -5.038 -9.669 1.00 0.00 H new ATOM 0 HG21 THR A 46 10.204 -6.148 -8.758 1.00 0.00 H new ATOM 0 HG22 THR A 46 10.328 -5.489 -7.110 1.00 0.00 H new ATOM 0 HG23 THR A 46 8.758 -6.057 -7.725 1.00 0.00 H new ATOM 339 N ARG A 47 9.204 -2.947 -5.098 1.00 0.00 N ATOM 340 CA ARG A 47 9.985 -2.509 -3.940 1.00 0.00 C ATOM 341 C ARG A 47 9.656 -3.363 -2.721 1.00 0.00 C ATOM 342 O ARG A 47 8.720 -4.163 -2.771 1.00 0.00 O ATOM 343 CB ARG A 47 9.687 -1.033 -3.617 1.00 0.00 C ATOM 344 CG ARG A 47 10.212 -0.021 -4.647 1.00 0.00 C ATOM 345 CD ARG A 47 11.738 -0.067 -4.767 1.00 0.00 C ATOM 346 NE ARG A 47 12.234 0.828 -5.816 1.00 0.00 N ATOM 347 CZ ARG A 47 13.511 0.908 -6.203 1.00 0.00 C ATOM 348 NH1 ARG A 47 14.450 0.115 -5.705 1.00 0.00 N ATOM 349 NH2 ARG A 47 13.847 1.793 -7.123 1.00 0.00 N ATOM 0 H ARG A 47 8.300 -3.345 -4.844 1.00 0.00 H new ATOM 0 HA ARG A 47 11.041 -2.620 -4.185 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.608 -0.908 -3.525 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.119 -0.796 -2.645 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.765 -0.228 -5.619 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.901 0.983 -4.360 1.00 0.00 H new ATOM 0 HD2 ARG A 47 12.185 0.211 -3.812 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.054 -1.088 -4.982 1.00 0.00 H new ATOM 0 HE ARG A 47 11.558 1.432 -6.283 1.00 0.00 H new ATOM 0 HH11 ARG A 47 14.207 -0.584 -5.003 1.00 0.00 H new ATOM 0 HH12 ARG A 47 15.415 0.204 -6.024 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.137 2.403 -7.527 1.00 0.00 H new ATOM 0 HH22 ARG A 47 14.817 1.867 -7.429 1.00 0.00 H new ATOM 363 N ASP A 48 10.475 -3.247 -1.678 1.00 0.00 N ATOM 364 CA ASP A 48 10.339 -3.883 -0.367 1.00 0.00 C ATOM 365 C ASP A 48 9.081 -3.350 0.315 1.00 0.00 C ATOM 366 O ASP A 48 8.802 -2.151 0.284 1.00 0.00 O ATOM 367 CB ASP A 48 11.600 -3.694 0.498 1.00 0.00 C ATOM 368 CG ASP A 48 12.881 -4.007 -0.289 1.00 0.00 C ATOM 369 OD1 ASP A 48 13.271 -3.179 -1.143 1.00 0.00 O ATOM 370 OD2 ASP A 48 13.447 -5.113 -0.141 1.00 0.00 O ATOM 0 H ASP A 48 11.311 -2.665 -1.729 1.00 0.00 H new ATOM 0 HA ASP A 48 10.235 -4.960 -0.500 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.640 -2.668 0.864 1.00 0.00 H new ATOM 0 HB3 ASP A 48 11.542 -4.343 1.372 1.00 0.00 H new ATOM 376 N VAL A 49 8.295 -4.246 0.908 1.00 0.00 N ATOM 377 CA VAL A 49 6.992 -3.985 1.494 1.00 0.00 C ATOM 378 C VAL A 49 6.909 -4.759 2.814 1.00 0.00 C ATOM 379 O VAL A 49 7.000 -5.984 2.842 1.00 0.00 O ATOM 380 CB VAL A 49 5.889 -4.447 0.515 1.00 0.00 C ATOM 381 CG1 VAL A 49 4.499 -3.988 0.974 1.00 0.00 C ATOM 382 CG2 VAL A 49 6.089 -4.041 -0.951 1.00 0.00 C ATOM 0 H VAL A 49 8.569 -5.225 0.995 1.00 0.00 H new ATOM 0 HA VAL A 49 6.852 -2.921 1.684 1.00 0.00 H new ATOM 0 HB VAL A 49 5.967 -5.534 0.544 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.749 -4.331 0.261 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.284 -4.407 1.957 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.475 -2.900 1.030 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.258 -4.416 -1.549 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.128 -2.954 -1.026 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.023 -4.464 -1.321 1.00 0.00 H new ATOM 392 N THR A 50 6.713 -4.077 3.929 1.00 0.00 N ATOM 393 CA THR A 50 6.396 -4.691 5.216 1.00 0.00 C ATOM 394 C THR A 50 4.908 -5.065 5.191 1.00 0.00 C ATOM 395 O THR A 50 4.096 -4.329 4.619 1.00 0.00 O ATOM 396 CB THR A 50 6.684 -3.655 6.316 1.00 0.00 C ATOM 397 OG1 THR A 50 7.867 -2.940 6.050 1.00 0.00 O ATOM 398 CG2 THR A 50 6.755 -4.284 7.708 1.00 0.00 C ATOM 0 H THR A 50 6.770 -3.059 3.971 1.00 0.00 H new ATOM 0 HA THR A 50 6.990 -5.584 5.408 1.00 0.00 H new ATOM 0 HB THR A 50 5.843 -2.962 6.309 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.023 -2.288 6.765 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.960 -3.510 8.447 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.804 -4.764 7.940 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.551 -5.028 7.731 1.00 0.00 H new ATOM 406 N PHE A 51 4.505 -6.194 5.788 1.00 0.00 N ATOM 407 CA PHE A 51 3.112 -6.553 5.972 1.00 0.00 C ATOM 408 C PHE A 51 3.049 -7.468 7.185 1.00 0.00 C ATOM 409 O PHE A 51 3.871 -8.375 7.322 1.00 0.00 O ATOM 410 CB PHE A 51 2.533 -7.247 4.726 1.00 0.00 C ATOM 411 CG PHE A 51 3.268 -8.485 4.275 1.00 0.00 C ATOM 412 CD1 PHE A 51 4.612 -8.420 3.860 1.00 0.00 C ATOM 413 CD2 PHE A 51 2.601 -9.715 4.304 1.00 0.00 C ATOM 414 CE1 PHE A 51 5.305 -9.593 3.543 1.00 0.00 C ATOM 415 CE2 PHE A 51 3.288 -10.888 3.947 1.00 0.00 C ATOM 416 CZ PHE A 51 4.625 -10.815 3.546 1.00 0.00 C ATOM 0 H PHE A 51 5.155 -6.887 6.159 1.00 0.00 H new ATOM 0 HA PHE A 51 2.509 -5.658 6.126 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.496 -7.514 4.929 1.00 0.00 H new ATOM 0 HB3 PHE A 51 2.523 -6.531 3.904 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.108 -7.464 3.786 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.563 -9.763 4.599 1.00 0.00 H new ATOM 0 HE1 PHE A 51 6.356 -9.555 3.298 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.784 -11.843 3.982 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.139 -11.713 3.235 1.00 0.00 H new ATOM 426 N ASN A 52 2.139 -7.177 8.103 1.00 0.00 N ATOM 427 CA ASN A 52 2.057 -7.737 9.450 1.00 0.00 C ATOM 428 C ASN A 52 0.588 -7.896 9.806 1.00 0.00 C ATOM 429 O ASN A 52 -0.275 -7.388 9.091 1.00 0.00 O ATOM 430 CB ASN A 52 2.737 -6.833 10.491 1.00 0.00 C ATOM 431 CG ASN A 52 2.306 -5.382 10.379 1.00 0.00 C ATOM 432 OD1 ASN A 52 1.379 -4.936 11.045 1.00 0.00 O ATOM 433 ND2 ASN A 52 2.971 -4.628 9.521 1.00 0.00 N ATOM 0 H ASN A 52 1.394 -6.505 7.920 1.00 0.00 H new ATOM 0 HA ASN A 52 2.575 -8.696 9.462 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.506 -7.200 11.491 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.818 -6.897 10.370 1.00 0.00 H new ATOM 0 HD21 ASN A 52 2.717 -3.648 9.400 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.738 -5.026 8.980 1.00 0.00 H new ATOM 440 N THR A 53 0.307 -8.633 10.876 1.00 0.00 N ATOM 441 CA THR A 53 -1.032 -8.984 11.316 1.00 0.00 C ATOM 442 C THR A 53 -1.876 -7.725 11.566 1.00 0.00 C ATOM 443 O THR A 53 -1.527 -6.894 12.410 1.00 0.00 O ATOM 444 CB THR A 53 -0.955 -9.930 12.541 1.00 0.00 C ATOM 445 OG1 THR A 53 0.343 -9.956 13.138 1.00 0.00 O ATOM 446 CG2 THR A 53 -1.288 -11.360 12.117 1.00 0.00 C ATOM 0 H THR A 53 1.035 -9.014 11.480 1.00 0.00 H new ATOM 0 HA THR A 53 -1.545 -9.532 10.526 1.00 0.00 H new ATOM 0 HB THR A 53 -1.671 -9.546 13.268 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.911 -10.595 12.658 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.232 -12.019 12.983 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.296 -11.391 11.702 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.575 -11.691 11.362 1.00 0.00 H new ATOM 454 N GLY A 54 -2.968 -7.598 10.809 1.00 0.00 N ATOM 455 CA GLY A 54 -3.962 -6.545 10.866 1.00 0.00 C ATOM 456 C GLY A 54 -5.343 -7.159 10.649 1.00 0.00 C ATOM 457 O GLY A 54 -5.922 -7.625 11.634 1.00 0.00 O ATOM 0 H GLY A 54 -3.189 -8.285 10.088 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.921 -6.039 11.831 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.759 -5.793 10.103 1.00 0.00 H new ATOM 461 N ASP A 55 -5.886 -7.164 9.423 1.00 0.00 N ATOM 462 CA ASP A 55 -7.247 -7.635 9.129 1.00 0.00 C ATOM 463 C ASP A 55 -7.406 -7.971 7.624 1.00 0.00 C ATOM 464 O ASP A 55 -7.560 -7.066 6.804 1.00 0.00 O ATOM 465 CB ASP A 55 -8.244 -6.548 9.592 1.00 0.00 C ATOM 466 CG ASP A 55 -9.607 -7.115 9.978 1.00 0.00 C ATOM 467 OD1 ASP A 55 -10.087 -8.048 9.297 1.00 0.00 O ATOM 468 OD2 ASP A 55 -10.194 -6.619 10.974 1.00 0.00 O ATOM 0 H ASP A 55 -5.385 -6.837 8.597 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.451 -8.559 9.669 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -7.823 -6.016 10.445 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.373 -5.818 8.793 1.00 0.00 H new ATOM 474 N SER A 56 -7.331 -9.248 7.225 1.00 0.00 N ATOM 475 CA SER A 56 -7.350 -9.727 5.828 1.00 0.00 C ATOM 476 C SER A 56 -7.792 -11.202 5.778 1.00 0.00 C ATOM 477 O SER A 56 -7.764 -11.879 6.802 1.00 0.00 O ATOM 478 CB SER A 56 -5.930 -9.535 5.230 1.00 0.00 C ATOM 479 OG SER A 56 -5.620 -10.316 4.080 1.00 0.00 O ATOM 0 H SER A 56 -7.252 -10.013 7.895 1.00 0.00 H new ATOM 0 HA SER A 56 -8.067 -9.157 5.237 1.00 0.00 H new ATOM 0 HB2 SER A 56 -5.806 -8.483 4.973 1.00 0.00 H new ATOM 0 HB3 SER A 56 -5.198 -9.762 6.005 1.00 0.00 H new ATOM 0 HG SER A 56 -4.707 -10.117 3.786 1.00 0.00 H new ATOM 485 N GLU A 57 -8.041 -11.737 4.571 1.00 0.00 N ATOM 486 CA GLU A 57 -8.004 -13.165 4.203 1.00 0.00 C ATOM 487 C GLU A 57 -6.906 -13.916 4.967 1.00 0.00 C ATOM 488 O GLU A 57 -7.107 -15.013 5.488 1.00 0.00 O ATOM 489 CB GLU A 57 -7.725 -13.243 2.680 1.00 0.00 C ATOM 490 CG GLU A 57 -7.581 -14.678 2.117 1.00 0.00 C ATOM 491 CD GLU A 57 -7.015 -14.757 0.685 1.00 0.00 C ATOM 492 OE1 GLU A 57 -5.938 -14.176 0.413 1.00 0.00 O ATOM 493 OE2 GLU A 57 -7.545 -15.525 -0.157 1.00 0.00 O ATOM 0 H GLU A 57 -8.289 -11.148 3.776 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.955 -13.633 4.459 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.534 -12.740 2.151 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.811 -12.690 2.464 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.933 -15.250 2.781 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.559 -15.159 2.133 1.00 0.00 H new ATOM 501 N GLN A 58 -5.723 -13.313 5.015 1.00 0.00 N ATOM 502 CA GLN A 58 -4.498 -13.884 5.557 1.00 0.00 C ATOM 503 C GLN A 58 -4.150 -13.217 6.886 1.00 0.00 C ATOM 504 O GLN A 58 -3.074 -13.441 7.415 1.00 0.00 O ATOM 505 CB GLN A 58 -3.409 -13.788 4.481 1.00 0.00 C ATOM 506 CG GLN A 58 -3.870 -14.610 3.263 1.00 0.00 C ATOM 507 CD GLN A 58 -2.735 -14.938 2.312 1.00 0.00 C ATOM 508 OE1 GLN A 58 -1.969 -15.871 2.528 1.00 0.00 O ATOM 509 NE2 GLN A 58 -2.551 -14.198 1.231 1.00 0.00 N ATOM 0 H GLN A 58 -5.587 -12.367 4.659 1.00 0.00 H new ATOM 0 HA GLN A 58 -4.612 -14.941 5.798 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.243 -12.748 4.198 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.462 -14.170 4.862 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.328 -15.537 3.608 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.639 -14.055 2.726 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.178 -13.418 1.034 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.782 -14.408 0.594 1.00 0.00 H new ATOM 518 N GLY A 59 -5.023 -12.376 7.445 1.00 0.00 N ATOM 519 CA GLY A 59 -4.775 -11.569 8.631 1.00 0.00 C ATOM 520 C GLY A 59 -3.767 -10.449 8.373 1.00 0.00 C ATOM 521 O GLY A 59 -3.943 -9.351 8.876 1.00 0.00 O ATOM 0 H GLY A 59 -5.959 -12.237 7.064 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.714 -11.137 8.976 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.406 -12.209 9.432 1.00 0.00 H new ATOM 525 N ILE A 60 -2.727 -10.695 7.580 1.00 0.00 N ATOM 526 CA ILE A 60 -1.650 -9.754 7.328 1.00 0.00 C ATOM 527 C ILE A 60 -2.065 -8.706 6.300 1.00 0.00 C ATOM 528 O ILE A 60 -2.697 -9.014 5.288 1.00 0.00 O ATOM 529 CB ILE A 60 -0.374 -10.488 6.871 1.00 0.00 C ATOM 530 CG1 ILE A 60 -0.649 -11.752 6.025 1.00 0.00 C ATOM 531 CG2 ILE A 60 0.463 -10.882 8.096 1.00 0.00 C ATOM 532 CD1 ILE A 60 0.557 -12.167 5.195 1.00 0.00 C ATOM 0 H ILE A 60 -2.611 -11.579 7.084 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.432 -9.240 8.264 1.00 0.00 H new ATOM 0 HB ILE A 60 0.164 -9.789 6.231 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.933 -12.572 6.684 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.495 -11.567 5.364 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.364 -11.401 7.769 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.741 -9.986 8.650 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.121 -11.540 8.739 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.313 -13.060 4.619 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.826 -11.359 4.515 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.397 -12.380 5.856 1.00 0.00 H new ATOM 544 N VAL A 61 -1.635 -7.473 6.545 1.00 0.00 N ATOM 545 CA VAL A 61 -1.929 -6.276 5.771 1.00 0.00 C ATOM 546 C VAL A 61 -0.611 -5.530 5.538 1.00 0.00 C ATOM 547 O VAL A 61 0.251 -5.555 6.421 1.00 0.00 O ATOM 548 CB VAL A 61 -2.930 -5.398 6.547 1.00 0.00 C ATOM 549 CG1 VAL A 61 -4.308 -6.068 6.632 1.00 0.00 C ATOM 550 CG2 VAL A 61 -2.417 -5.070 7.960 1.00 0.00 C ATOM 0 H VAL A 61 -1.032 -7.272 7.343 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.378 -6.531 4.811 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.030 -4.464 5.993 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.992 -5.424 7.185 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.696 -6.231 5.627 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.216 -7.025 7.145 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.148 -4.450 8.478 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.267 -5.995 8.517 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.471 -4.533 7.888 1.00 0.00 H new ATOM 560 N PRO A 62 -0.431 -4.860 4.390 1.00 0.00 N ATOM 561 CA PRO A 62 0.808 -4.179 4.053 1.00 0.00 C ATOM 562 C PRO A 62 0.912 -2.815 4.734 1.00 0.00 C ATOM 563 O PRO A 62 -0.051 -2.314 5.318 1.00 0.00 O ATOM 564 CB PRO A 62 0.804 -4.124 2.525 1.00 0.00 C ATOM 565 CG PRO A 62 -0.679 -3.939 2.210 1.00 0.00 C ATOM 566 CD PRO A 62 -1.362 -4.790 3.278 1.00 0.00 C ATOM 0 HA PRO A 62 1.695 -4.698 4.416 1.00 0.00 H new ATOM 0 HB2 PRO A 62 1.406 -3.298 2.146 1.00 0.00 H new ATOM 0 HB3 PRO A 62 1.203 -5.038 2.084 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -0.978 -2.893 2.274 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -0.924 -4.280 1.204 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -2.307 -4.343 3.588 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -1.590 -5.785 2.897 1.00 0.00 H new ATOM 574 N CYS A 63 2.084 -2.200 4.608 1.00 0.00 N ATOM 575 CA CYS A 63 2.474 -0.955 5.233 1.00 0.00 C ATOM 576 C CYS A 63 2.705 0.024 4.107 1.00 0.00 C ATOM 577 O CYS A 63 3.561 -0.196 3.253 1.00 0.00 O ATOM 578 CB CYS A 63 3.765 -1.127 6.037 1.00 0.00 C ATOM 579 SG CYS A 63 3.649 -2.266 7.431 1.00 0.00 S ATOM 0 H CYS A 63 2.829 -2.588 4.029 1.00 0.00 H new ATOM 0 HA CYS A 63 1.704 -0.611 5.924 1.00 0.00 H new ATOM 0 HB2 CYS A 63 4.549 -1.477 5.366 1.00 0.00 H new ATOM 0 HB3 CYS A 63 4.076 -0.151 6.410 1.00 0.00 H new ATOM 0 HG CYS A 63 2.782 -3.196 7.161 1.00 0.00 H new ATOM 585 N LEU A 64 1.860 1.040 4.052 1.00 0.00 N ATOM 586 CA LEU A 64 1.830 2.056 3.022 1.00 0.00 C ATOM 587 C LEU A 64 1.723 3.373 3.778 1.00 0.00 C ATOM 588 O LEU A 64 1.277 3.375 4.924 1.00 0.00 O ATOM 589 CB LEU A 64 0.618 1.889 2.080 1.00 0.00 C ATOM 590 CG LEU A 64 0.002 0.497 1.805 1.00 0.00 C ATOM 591 CD1 LEU A 64 0.986 -0.584 1.364 1.00 0.00 C ATOM 592 CD2 LEU A 64 -0.945 0.036 2.923 1.00 0.00 C ATOM 0 H LEU A 64 1.142 1.182 4.762 1.00 0.00 H new ATOM 0 HA LEU A 64 2.715 1.998 2.388 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.180 2.518 2.474 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.905 2.306 1.115 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.611 0.653 0.917 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.450 -1.518 1.198 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.474 -0.277 0.439 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.738 -0.730 2.139 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.348 -0.946 2.677 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.397 -0.022 3.863 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.763 0.749 3.023 1.00 0.00 H new ATOM 604 N THR A 65 2.056 4.503 3.172 1.00 0.00 N ATOM 605 CA THR A 65 1.884 5.804 3.814 1.00 0.00 C ATOM 606 C THR A 65 1.222 6.748 2.816 1.00 0.00 C ATOM 607 O THR A 65 0.913 6.307 1.712 1.00 0.00 O ATOM 608 CB THR A 65 3.215 6.283 4.414 1.00 0.00 C ATOM 609 OG1 THR A 65 4.077 6.704 3.386 1.00 0.00 O ATOM 610 CG2 THR A 65 3.898 5.167 5.228 1.00 0.00 C ATOM 0 H THR A 65 2.449 4.548 2.232 1.00 0.00 H new ATOM 0 HA THR A 65 1.213 5.755 4.672 1.00 0.00 H new ATOM 0 HB THR A 65 3.000 7.115 5.084 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.984 6.810 3.742 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.837 5.539 5.639 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.243 4.858 6.042 1.00 0.00 H new ATOM 0 HG23 THR A 65 4.098 4.314 4.580 1.00 0.00 H new ATOM 618 N ARG A 66 0.926 8.011 3.147 1.00 0.00 N ATOM 619 CA ARG A 66 0.256 8.867 2.157 1.00 0.00 C ATOM 620 C ARG A 66 1.110 9.019 0.923 1.00 0.00 C ATOM 621 O ARG A 66 0.594 8.890 -0.181 1.00 0.00 O ATOM 622 CB ARG A 66 0.012 10.281 2.670 1.00 0.00 C ATOM 623 CG ARG A 66 -1.222 10.338 3.558 1.00 0.00 C ATOM 624 CD ARG A 66 -1.351 11.663 4.333 1.00 0.00 C ATOM 625 NE ARG A 66 -1.102 11.419 5.750 1.00 0.00 N ATOM 626 CZ ARG A 66 -0.031 10.758 6.160 1.00 0.00 C ATOM 627 NH1 ARG A 66 1.130 10.991 5.581 1.00 0.00 N ATOM 628 NH2 ARG A 66 -0.152 9.783 7.038 1.00 0.00 N ATOM 0 H ARG A 66 1.127 8.448 4.046 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.693 8.375 1.946 1.00 0.00 H new ATOM 0 HB2 ARG A 66 0.882 10.623 3.230 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -0.112 10.960 1.827 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -2.111 10.196 2.943 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.190 9.511 4.268 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.640 12.394 3.948 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -2.347 12.083 4.194 1.00 0.00 H new ATOM 0 HE ARG A 66 -1.768 11.766 6.440 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.196 11.674 4.826 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.963 10.488 5.888 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.072 9.537 7.403 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.674 9.275 7.353 1.00 0.00 H new ATOM 642 N ALA A 67 2.387 9.318 1.153 1.00 0.00 N ATOM 643 CA ALA A 67 3.398 9.434 0.136 1.00 0.00 C ATOM 644 C ALA A 67 3.341 8.176 -0.729 1.00 0.00 C ATOM 645 O ALA A 67 3.024 8.259 -1.918 1.00 0.00 O ATOM 646 CB ALA A 67 4.733 9.639 0.855 1.00 0.00 C ATOM 0 H ALA A 67 2.746 9.490 2.092 1.00 0.00 H new ATOM 0 HA ALA A 67 3.252 10.280 -0.535 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.532 9.732 0.119 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.686 10.546 1.457 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.933 8.784 1.501 1.00 0.00 H new ATOM 652 N GLN A 68 3.541 7.010 -0.104 1.00 0.00 N ATOM 653 CA GLN A 68 3.625 5.775 -0.856 1.00 0.00 C ATOM 654 C GLN A 68 2.322 5.474 -1.606 1.00 0.00 C ATOM 655 O GLN A 68 2.367 5.194 -2.798 1.00 0.00 O ATOM 656 CB GLN A 68 4.064 4.622 0.061 1.00 0.00 C ATOM 657 CG GLN A 68 5.067 3.730 -0.673 1.00 0.00 C ATOM 658 CD GLN A 68 6.403 4.406 -1.000 1.00 0.00 C ATOM 659 OE1 GLN A 68 6.931 4.236 -2.102 1.00 0.00 O ATOM 660 NE2 GLN A 68 6.980 5.215 -0.128 1.00 0.00 N ATOM 0 H GLN A 68 3.645 6.906 0.905 1.00 0.00 H new ATOM 0 HA GLN A 68 4.389 5.890 -1.625 1.00 0.00 H new ATOM 0 HB2 GLN A 68 4.514 5.020 0.970 1.00 0.00 H new ATOM 0 HB3 GLN A 68 3.196 4.036 0.365 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.261 2.847 -0.064 1.00 0.00 H new ATOM 0 HG3 GLN A 68 4.613 3.384 -1.602 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.555 5.365 0.787 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.850 5.689 -0.370 1.00 0.00 H new ATOM 669 N LEU A 69 1.163 5.573 -0.950 1.00 0.00 N ATOM 670 CA LEU A 69 -0.153 5.307 -1.531 1.00 0.00 C ATOM 671 C LEU A 69 -0.427 6.198 -2.736 1.00 0.00 C ATOM 672 O LEU A 69 -0.982 5.739 -3.741 1.00 0.00 O ATOM 673 CB LEU A 69 -1.267 5.560 -0.507 1.00 0.00 C ATOM 674 CG LEU A 69 -1.411 4.506 0.604 1.00 0.00 C ATOM 675 CD1 LEU A 69 -2.468 4.953 1.620 1.00 0.00 C ATOM 676 CD2 LEU A 69 -1.820 3.144 0.037 1.00 0.00 C ATOM 0 H LEU A 69 1.114 5.849 0.031 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.146 4.261 -1.838 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.092 6.530 -0.041 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.215 5.629 -1.040 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.439 4.408 1.088 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.562 4.200 2.402 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.167 5.902 2.064 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.427 5.076 1.117 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.912 2.424 0.850 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.777 3.236 -0.476 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.062 2.801 -0.667 1.00 0.00 H new ATOM 688 N ALA A 70 -0.076 7.476 -2.634 1.00 0.00 N ATOM 689 CA ALA A 70 -0.189 8.438 -3.710 1.00 0.00 C ATOM 690 C ALA A 70 0.729 8.084 -4.883 1.00 0.00 C ATOM 691 O ALA A 70 0.404 8.436 -6.016 1.00 0.00 O ATOM 692 CB ALA A 70 0.160 9.814 -3.165 1.00 0.00 C ATOM 0 H ALA A 70 0.304 7.875 -1.776 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.211 8.428 -4.088 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.080 10.552 -3.963 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.529 10.072 -2.361 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.180 9.805 -2.780 1.00 0.00 H new ATOM 698 N SER A 71 1.807 7.330 -4.660 1.00 0.00 N ATOM 699 CA SER A 71 2.646 6.793 -5.723 1.00 0.00 C ATOM 700 C SER A 71 1.866 5.773 -6.572 1.00 0.00 C ATOM 701 O SER A 71 2.224 5.577 -7.737 1.00 0.00 O ATOM 702 CB SER A 71 3.936 6.207 -5.113 1.00 0.00 C ATOM 703 OG SER A 71 5.038 6.272 -6.006 1.00 0.00 O ATOM 0 H SER A 71 2.122 7.074 -3.724 1.00 0.00 H new ATOM 0 HA SER A 71 2.938 7.593 -6.404 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.181 6.749 -4.199 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.762 5.169 -4.831 1.00 0.00 H new ATOM 0 HG SER A 71 5.831 5.891 -5.575 1.00 0.00 H new ATOM 709 N MET A 72 0.785 5.167 -6.057 1.00 0.00 N ATOM 710 CA MET A 72 -0.166 4.377 -6.839 1.00 0.00 C ATOM 711 C MET A 72 -1.433 5.160 -7.183 1.00 0.00 C ATOM 712 O MET A 72 -2.336 4.618 -7.824 1.00 0.00 O ATOM 713 CB MET A 72 -0.575 3.088 -6.118 1.00 0.00 C ATOM 714 CG MET A 72 0.553 2.327 -5.433 1.00 0.00 C ATOM 715 SD MET A 72 0.786 2.734 -3.699 1.00 0.00 S ATOM 716 CE MET A 72 2.444 2.076 -3.437 1.00 0.00 C ATOM 0 H MET A 72 0.547 5.216 -5.066 1.00 0.00 H new ATOM 0 HA MET A 72 0.360 4.128 -7.760 1.00 0.00 H new ATOM 0 HB2 MET A 72 -1.328 3.335 -5.370 1.00 0.00 H new ATOM 0 HB3 MET A 72 -1.050 2.424 -6.841 1.00 0.00 H new ATOM 0 HG2 MET A 72 0.357 1.258 -5.518 1.00 0.00 H new ATOM 0 HG3 MET A 72 1.483 2.524 -5.967 1.00 0.00 H new ATOM 0 HE1 MET A 72 2.520 1.672 -2.428 1.00 0.00 H new ATOM 0 HE2 MET A 72 2.640 1.285 -4.160 1.00 0.00 H new ATOM 0 HE3 MET A 72 3.176 2.873 -3.564 1.00 0.00 H new ATOM 726 N GLY A 73 -1.561 6.404 -6.730 1.00 0.00 N ATOM 727 CA GLY A 73 -2.534 7.353 -7.256 1.00 0.00 C ATOM 728 C GLY A 73 -3.752 7.545 -6.360 1.00 0.00 C ATOM 729 O GLY A 73 -4.788 7.991 -6.847 1.00 0.00 O ATOM 0 H GLY A 73 -0.985 6.784 -5.979 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.046 8.317 -7.401 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -2.866 7.013 -8.237 1.00 0.00 H new ATOM 733 N LEU A 74 -3.669 7.178 -5.081 1.00 0.00 N ATOM 734 CA LEU A 74 -4.744 7.283 -4.096 1.00 0.00 C ATOM 735 C LEU A 74 -4.901 8.718 -3.617 1.00 0.00 C ATOM 736 O LEU A 74 -3.936 9.355 -3.196 1.00 0.00 O ATOM 737 CB LEU A 74 -4.385 6.350 -2.947 1.00 0.00 C ATOM 738 CG LEU A 74 -5.241 6.303 -1.672 1.00 0.00 C ATOM 739 CD1 LEU A 74 -4.676 7.202 -0.583 1.00 0.00 C ATOM 740 CD2 LEU A 74 -6.743 6.528 -1.712 1.00 0.00 C ATOM 0 H LEU A 74 -2.815 6.783 -4.687 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.701 6.997 -4.532 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.359 5.339 -3.352 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.368 6.596 -2.641 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.158 5.234 -1.477 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.308 7.142 0.303 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.666 6.878 -0.331 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.648 8.232 -0.940 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.149 6.451 -0.704 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.952 7.520 -2.113 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -7.207 5.774 -2.348 1.00 0.00 H new ATOM 752 N ASN A 75 -6.139 9.208 -3.629 1.00 0.00 N ATOM 753 CA ASN A 75 -6.513 10.546 -3.203 1.00 0.00 C ATOM 754 C ASN A 75 -6.590 10.584 -1.682 1.00 0.00 C ATOM 755 O ASN A 75 -7.672 10.586 -1.093 1.00 0.00 O ATOM 756 CB ASN A 75 -7.862 10.965 -3.816 1.00 0.00 C ATOM 757 CG ASN A 75 -8.111 12.459 -3.905 1.00 0.00 C ATOM 758 OD1 ASN A 75 -9.162 12.864 -4.369 1.00 0.00 O ATOM 759 ND2 ASN A 75 -7.170 13.327 -3.569 1.00 0.00 N ATOM 0 H ASN A 75 -6.937 8.659 -3.949 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.757 11.251 -3.550 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.930 10.544 -4.819 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.662 10.517 -3.227 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.328 14.326 -3.699 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -6.287 12.997 -3.180 1.00 0.00 H new ATOM 766 N THR A 76 -5.444 10.672 -1.025 1.00 0.00 N ATOM 767 CA THR A 76 -5.320 10.801 0.426 1.00 0.00 C ATOM 768 C THR A 76 -6.138 11.996 0.929 1.00 0.00 C ATOM 769 O THR A 76 -6.706 11.943 2.013 1.00 0.00 O ATOM 770 CB THR A 76 -3.824 10.977 0.727 1.00 0.00 C ATOM 771 OG1 THR A 76 -3.374 12.157 0.085 1.00 0.00 O ATOM 772 CG2 THR A 76 -2.861 9.914 0.178 1.00 0.00 C ATOM 0 H THR A 76 -4.541 10.655 -1.500 1.00 0.00 H new ATOM 0 HA THR A 76 -5.708 9.921 0.938 1.00 0.00 H new ATOM 0 HB THR A 76 -3.792 10.949 1.816 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.420 12.286 0.268 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.840 10.165 0.466 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.124 8.939 0.587 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.934 9.883 -0.909 1.00 0.00 H new ATOM 780 N ALA A 77 -6.267 13.055 0.119 1.00 0.00 N ATOM 781 CA ALA A 77 -7.011 14.252 0.453 1.00 0.00 C ATOM 782 C ALA A 77 -8.506 14.121 0.178 1.00 0.00 C ATOM 783 O ALA A 77 -9.256 15.046 0.500 1.00 0.00 O ATOM 784 CB ALA A 77 -6.332 15.467 -0.159 1.00 0.00 C ATOM 0 H ALA A 77 -5.842 13.093 -0.807 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.985 14.402 1.532 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.895 16.365 0.095 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.318 15.552 0.231 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.295 15.356 -1.243 1.00 0.00 H new ATOM 790 N SER A 78 -8.951 12.966 -0.335 1.00 0.00 N ATOM 791 CA SER A 78 -10.337 12.546 -0.239 1.00 0.00 C ATOM 792 C SER A 78 -10.565 11.679 1.014 1.00 0.00 C ATOM 793 O SER A 78 -11.608 11.818 1.659 1.00 0.00 O ATOM 794 CB SER A 78 -10.816 11.877 -1.535 1.00 0.00 C ATOM 795 OG SER A 78 -12.230 11.923 -1.577 1.00 0.00 O ATOM 0 H SER A 78 -8.352 12.303 -0.827 1.00 0.00 H new ATOM 0 HA SER A 78 -10.957 13.434 -0.117 1.00 0.00 H new ATOM 0 HB2 SER A 78 -10.396 12.388 -2.401 1.00 0.00 H new ATOM 0 HB3 SER A 78 -10.471 10.844 -1.576 1.00 0.00 H new ATOM 0 HG SER A 78 -12.593 11.048 -1.325 1.00 0.00 H new ATOM 801 N VAL A 79 -9.582 10.871 1.444 1.00 0.00 N ATOM 802 CA VAL A 79 -9.756 9.950 2.567 1.00 0.00 C ATOM 803 C VAL A 79 -9.641 10.803 3.832 1.00 0.00 C ATOM 804 O VAL A 79 -8.555 11.249 4.218 1.00 0.00 O ATOM 805 CB VAL A 79 -8.735 8.777 2.539 1.00 0.00 C ATOM 806 CG1 VAL A 79 -9.044 7.775 3.634 1.00 0.00 C ATOM 807 CG2 VAL A 79 -8.710 8.043 1.187 1.00 0.00 C ATOM 0 H VAL A 79 -8.653 10.841 1.023 1.00 0.00 H new ATOM 0 HA VAL A 79 -10.726 9.456 2.520 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.754 9.223 2.700 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.319 6.962 3.598 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -8.989 8.268 4.605 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -10.047 7.374 3.488 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.980 7.235 1.225 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.697 7.631 0.979 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -8.435 8.743 0.398 1.00 0.00 H new ATOM 817 N ALA A 80 -10.785 11.073 4.464 1.00 0.00 N ATOM 818 CA ALA A 80 -10.834 11.808 5.716 1.00 0.00 C ATOM 819 C ALA A 80 -9.981 11.070 6.744 1.00 0.00 C ATOM 820 O ALA A 80 -9.810 9.850 6.661 1.00 0.00 O ATOM 821 CB ALA A 80 -12.283 11.925 6.184 1.00 0.00 C ATOM 0 H ALA A 80 -11.700 10.785 4.117 1.00 0.00 H new ATOM 0 HA ALA A 80 -10.441 12.816 5.586 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -12.319 12.477 7.123 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -12.867 12.453 5.431 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -12.699 10.929 6.332 1.00 0.00 H new ATOM 827 N GLY A 81 -9.413 11.803 7.695 1.00 0.00 N ATOM 828 CA GLY A 81 -8.503 11.220 8.662 1.00 0.00 C ATOM 829 C GLY A 81 -7.093 11.052 8.126 1.00 0.00 C ATOM 830 O GLY A 81 -6.149 11.321 8.869 1.00 0.00 O ATOM 0 H GLY A 81 -9.570 12.804 7.813 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -8.475 11.850 9.551 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -8.886 10.248 8.972 1.00 0.00 H new ATOM 834 N MET A 82 -6.899 10.645 6.863 1.00 0.00 N ATOM 835 CA MET A 82 -5.563 10.390 6.375 1.00 0.00 C ATOM 836 C MET A 82 -4.741 11.663 6.402 1.00 0.00 C ATOM 837 O MET A 82 -3.588 11.627 6.809 1.00 0.00 O ATOM 838 CB MET A 82 -5.680 9.799 4.970 1.00 0.00 C ATOM 839 CG MET A 82 -4.310 9.320 4.532 1.00 0.00 C ATOM 840 SD MET A 82 -4.281 8.409 2.976 1.00 0.00 S ATOM 841 CE MET A 82 -4.944 6.804 3.456 1.00 0.00 C ATOM 0 H MET A 82 -7.643 10.492 6.183 1.00 0.00 H new ATOM 0 HA MET A 82 -5.043 9.676 7.014 1.00 0.00 H new ATOM 0 HB2 MET A 82 -6.390 8.972 4.965 1.00 0.00 H new ATOM 0 HB3 MET A 82 -6.059 10.548 4.275 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.652 10.184 4.442 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.897 8.685 5.315 1.00 0.00 H new ATOM 0 HE1 MET A 82 -5.570 6.414 2.653 1.00 0.00 H new ATOM 0 HE2 MET A 82 -4.123 6.113 3.644 1.00 0.00 H new ATOM 0 HE3 MET A 82 -5.541 6.913 4.361 1.00 0.00 H new ATOM 851 N ASN A 83 -5.351 12.788 6.046 1.00 0.00 N ATOM 852 CA ASN A 83 -4.747 14.116 5.980 1.00 0.00 C ATOM 853 C ASN A 83 -4.163 14.586 7.312 1.00 0.00 C ATOM 854 O ASN A 83 -3.517 15.627 7.349 1.00 0.00 O ATOM 855 CB ASN A 83 -5.807 15.121 5.518 1.00 0.00 C ATOM 856 CG ASN A 83 -6.216 14.703 4.133 1.00 0.00 C ATOM 857 OD1 ASN A 83 -5.474 14.930 3.187 1.00 0.00 O ATOM 858 ND2 ASN A 83 -7.264 13.904 4.024 1.00 0.00 N ATOM 0 H ASN A 83 -6.336 12.800 5.781 1.00 0.00 H new ATOM 0 HA ASN A 83 -3.918 14.054 5.275 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -6.663 15.119 6.192 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.406 16.134 5.515 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.473 13.456 3.132 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.863 13.735 4.832 1.00 0.00 H new ATOM 865 N LEU A 84 -4.419 13.875 8.412 1.00 0.00 N ATOM 866 CA LEU A 84 -4.156 14.322 9.774 1.00 0.00 C ATOM 867 C LEU A 84 -2.984 13.510 10.347 1.00 0.00 C ATOM 868 O LEU A 84 -2.397 13.873 11.368 1.00 0.00 O ATOM 869 CB LEU A 84 -5.445 14.161 10.622 1.00 0.00 C ATOM 870 CG LEU A 84 -6.787 14.451 9.894 1.00 0.00 C ATOM 871 CD1 LEU A 84 -8.001 14.186 10.790 1.00 0.00 C ATOM 872 CD2 LEU A 84 -6.900 15.866 9.326 1.00 0.00 C ATOM 0 H LEU A 84 -4.829 12.942 8.374 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.877 15.376 9.791 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.477 13.141 11.006 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.373 14.824 11.484 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.784 13.755 9.055 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -8.915 14.403 10.237 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -8.003 13.141 11.100 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.949 14.825 11.671 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.866 15.985 8.835 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.813 16.591 10.135 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -6.102 16.032 8.602 1.00 0.00 H new ATOM 884 N LEU A 85 -2.654 12.391 9.690 1.00 0.00 N ATOM 885 CA LEU A 85 -1.626 11.446 10.092 1.00 0.00 C ATOM 886 C LEU A 85 -0.236 11.936 9.657 1.00 0.00 C ATOM 887 O LEU A 85 -0.122 12.628 8.646 1.00 0.00 O ATOM 888 CB LEU A 85 -1.952 10.082 9.479 1.00 0.00 C ATOM 889 CG LEU A 85 -3.009 9.319 10.293 1.00 0.00 C ATOM 890 CD1 LEU A 85 -3.961 8.583 9.362 1.00 0.00 C ATOM 891 CD2 LEU A 85 -2.319 8.313 11.204 1.00 0.00 C ATOM 0 H LEU A 85 -3.122 12.115 8.827 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.608 11.358 11.178 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.311 10.220 8.459 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.042 9.485 9.419 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.576 10.032 10.891 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.705 8.047 9.952 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.462 9.301 8.712 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.400 7.874 8.754 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -3.068 7.772 11.782 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.747 7.608 10.601 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.647 8.838 11.883 1.00 0.00 H new ATOM 903 N ALA A 86 0.812 11.515 10.370 1.00 0.00 N ATOM 904 CA ALA A 86 2.219 11.830 10.123 1.00 0.00 C ATOM 905 C ALA A 86 2.692 11.275 8.783 1.00 0.00 C ATOM 906 O ALA A 86 2.119 10.307 8.290 1.00 0.00 O ATOM 907 CB ALA A 86 3.038 11.209 11.252 1.00 0.00 C ATOM 0 H ALA A 86 0.693 10.910 11.182 1.00 0.00 H new ATOM 0 HA ALA A 86 2.346 12.912 10.090 1.00 0.00 H new ATOM 0 HB1 ALA A 86 4.095 11.426 11.097 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.718 11.627 12.206 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.887 10.130 11.260 1.00 0.00 H new ATOM 913 N ASP A 87 3.759 11.821 8.192 1.00 0.00 N ATOM 914 CA ASP A 87 4.025 11.622 6.766 1.00 0.00 C ATOM 915 C ASP A 87 4.172 10.147 6.443 1.00 0.00 C ATOM 916 O ASP A 87 3.593 9.688 5.455 1.00 0.00 O ATOM 917 CB ASP A 87 5.214 12.439 6.232 1.00 0.00 C ATOM 918 CG ASP A 87 4.781 13.535 5.250 1.00 0.00 C ATOM 919 OD1 ASP A 87 3.626 14.016 5.340 1.00 0.00 O ATOM 920 OD2 ASP A 87 5.613 13.938 4.410 1.00 0.00 O ATOM 0 H ASP A 87 4.447 12.399 8.675 1.00 0.00 H new ATOM 0 HA ASP A 87 3.152 12.009 6.241 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.743 12.894 7.069 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.917 11.769 5.737 1.00 0.00 H new ATOM 926 N ASP A 88 4.786 9.385 7.352 1.00 0.00 N ATOM 927 CA ASP A 88 5.098 7.981 7.119 1.00 0.00 C ATOM 928 C ASP A 88 4.442 7.066 8.149 1.00 0.00 C ATOM 929 O ASP A 88 5.004 6.097 8.644 1.00 0.00 O ATOM 930 CB ASP A 88 6.604 7.794 6.967 1.00 0.00 C ATOM 931 CG ASP A 88 6.912 6.856 5.795 1.00 0.00 C ATOM 932 OD1 ASP A 88 7.538 5.801 6.034 1.00 0.00 O ATOM 933 OD2 ASP A 88 6.440 7.136 4.663 1.00 0.00 O ATOM 0 H ASP A 88 5.078 9.727 8.267 1.00 0.00 H new ATOM 0 HA ASP A 88 4.656 7.670 6.172 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.082 8.760 6.803 1.00 0.00 H new ATOM 0 HB3 ASP A 88 7.020 7.385 7.887 1.00 0.00 H new ATOM 939 N ALA A 89 3.204 7.405 8.500 1.00 0.00 N ATOM 940 CA ALA A 89 2.516 6.920 9.693 1.00 0.00 C ATOM 941 C ALA A 89 2.006 5.464 9.671 1.00 0.00 C ATOM 942 O ALA A 89 1.206 5.106 10.538 1.00 0.00 O ATOM 943 CB ALA A 89 1.321 7.844 9.900 1.00 0.00 C ATOM 0 H ALA A 89 2.635 8.044 7.945 1.00 0.00 H new ATOM 0 HA ALA A 89 3.256 6.926 10.493 1.00 0.00 H new ATOM 0 HB1 ALA A 89 0.766 7.528 10.783 1.00 0.00 H new ATOM 0 HB2 ALA A 89 1.672 8.867 10.038 1.00 0.00 H new ATOM 0 HB3 ALA A 89 0.670 7.799 9.027 1.00 0.00 H new ATOM 949 N CYS A 90 2.388 4.671 8.669 1.00 0.00 N ATOM 950 CA CYS A 90 1.814 3.372 8.306 1.00 0.00 C ATOM 951 C CYS A 90 0.279 3.415 8.297 1.00 0.00 C ATOM 952 O CYS A 90 -0.399 3.153 9.295 1.00 0.00 O ATOM 953 CB CYS A 90 2.353 2.254 9.194 1.00 0.00 C ATOM 954 SG CYS A 90 1.855 0.601 8.655 1.00 0.00 S ATOM 0 H CYS A 90 3.155 4.934 8.050 1.00 0.00 H new ATOM 0 HA CYS A 90 2.129 3.147 7.287 1.00 0.00 H new ATOM 0 HB2 CYS A 90 3.441 2.309 9.213 1.00 0.00 H new ATOM 0 HB3 CYS A 90 2.008 2.414 10.215 1.00 0.00 H new ATOM 0 HG CYS A 90 2.910 -0.088 8.336 1.00 0.00 H new ATOM 960 N VAL A 91 -0.279 3.789 7.152 1.00 0.00 N ATOM 961 CA VAL A 91 -1.697 4.014 6.976 1.00 0.00 C ATOM 962 C VAL A 91 -2.332 2.719 6.438 1.00 0.00 C ATOM 963 O VAL A 91 -1.748 2.076 5.561 1.00 0.00 O ATOM 964 CB VAL A 91 -1.933 5.257 6.085 1.00 0.00 C ATOM 965 CG1 VAL A 91 -3.332 5.776 6.364 1.00 0.00 C ATOM 966 CG2 VAL A 91 -0.991 6.441 6.399 1.00 0.00 C ATOM 0 H VAL A 91 0.262 3.947 6.302 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.186 4.242 7.923 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.763 4.932 5.059 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.524 6.654 5.747 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.061 5.001 6.129 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.417 6.046 7.417 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.218 7.273 5.733 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.133 6.754 7.433 1.00 0.00 H new ATOM 0 HG23 VAL A 91 0.044 6.131 6.252 1.00 0.00 H new ATOM 976 N PRO A 92 -3.517 2.315 6.935 1.00 0.00 N ATOM 977 CA PRO A 92 -4.202 1.121 6.455 1.00 0.00 C ATOM 978 C PRO A 92 -4.623 1.252 4.992 1.00 0.00 C ATOM 979 O PRO A 92 -4.705 2.359 4.445 1.00 0.00 O ATOM 980 CB PRO A 92 -5.420 0.934 7.361 1.00 0.00 C ATOM 981 CG PRO A 92 -5.608 2.273 8.062 1.00 0.00 C ATOM 982 CD PRO A 92 -4.223 2.894 8.067 1.00 0.00 C ATOM 0 HA PRO A 92 -3.538 0.258 6.495 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -6.304 0.666 6.782 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -5.255 0.133 8.081 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -6.324 2.902 7.532 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -5.988 2.141 9.075 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.282 3.979 7.976 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.703 2.680 9.001 1.00 0.00 H new ATOM 990 N LEU A 93 -5.017 0.135 4.380 1.00 0.00 N ATOM 991 CA LEU A 93 -5.753 0.119 3.123 1.00 0.00 C ATOM 992 C LEU A 93 -7.254 0.049 3.399 1.00 0.00 C ATOM 993 O LEU A 93 -7.956 1.001 3.066 1.00 0.00 O ATOM 994 CB LEU A 93 -5.289 -1.030 2.210 1.00 0.00 C ATOM 995 CG LEU A 93 -5.214 -0.645 0.722 1.00 0.00 C ATOM 996 CD1 LEU A 93 -6.545 -0.137 0.176 1.00 0.00 C ATOM 997 CD2 LEU A 93 -4.113 0.386 0.438 1.00 0.00 C ATOM 0 H LEU A 93 -4.829 -0.796 4.752 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.544 1.046 2.589 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.307 -1.369 2.538 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.972 -1.872 2.325 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.964 -1.570 0.202 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -6.432 0.119 -0.877 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -7.302 -0.914 0.281 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.853 0.747 0.734 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.102 0.623 -0.626 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.308 1.293 1.010 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.146 -0.025 0.728 1.00 0.00 H new ATOM 1009 N THR A 94 -7.731 -1.018 4.041 1.00 0.00 N ATOM 1010 CA THR A 94 -9.152 -1.367 4.096 1.00 0.00 C ATOM 1011 C THR A 94 -9.886 -0.661 5.255 1.00 0.00 C ATOM 1012 O THR A 94 -11.100 -0.809 5.379 1.00 0.00 O ATOM 1013 CB THR A 94 -9.265 -2.916 4.122 1.00 0.00 C ATOM 1014 OG1 THR A 94 -10.530 -3.411 3.716 1.00 0.00 O ATOM 1015 CG2 THR A 94 -8.940 -3.549 5.478 1.00 0.00 C ATOM 0 H THR A 94 -7.133 -1.673 4.545 1.00 0.00 H new ATOM 0 HA THR A 94 -9.666 -1.000 3.207 1.00 0.00 H new ATOM 0 HB THR A 94 -8.507 -3.209 3.395 1.00 0.00 H new ATOM 0 HG1 THR A 94 -10.762 -3.037 2.840 1.00 0.00 H new ATOM 0 HG21 THR A 94 -9.043 -4.632 5.408 1.00 0.00 H new ATOM 0 HG22 THR A 94 -7.917 -3.299 5.760 1.00 0.00 H new ATOM 0 HG23 THR A 94 -9.628 -3.167 6.232 1.00 0.00 H new ATOM 1023 N THR A 95 -9.178 0.078 6.119 1.00 0.00 N ATOM 1024 CA THR A 95 -9.704 0.559 7.395 1.00 0.00 C ATOM 1025 C THR A 95 -10.169 2.015 7.302 1.00 0.00 C ATOM 1026 O THR A 95 -11.307 2.309 7.668 1.00 0.00 O ATOM 1027 CB THR A 95 -8.619 0.394 8.469 1.00 0.00 C ATOM 1028 OG1 THR A 95 -7.995 -0.877 8.381 1.00 0.00 O ATOM 1029 CG2 THR A 95 -9.099 0.581 9.907 1.00 0.00 C ATOM 0 H THR A 95 -8.213 0.360 5.946 1.00 0.00 H new ATOM 0 HA THR A 95 -10.580 -0.031 7.664 1.00 0.00 H new ATOM 0 HB THR A 95 -7.917 1.199 8.252 1.00 0.00 H new ATOM 0 HG1 THR A 95 -7.308 -0.953 9.076 1.00 0.00 H new ATOM 0 HG21 THR A 95 -8.261 0.445 10.591 1.00 0.00 H new ATOM 0 HG22 THR A 95 -9.506 1.585 10.027 1.00 0.00 H new ATOM 0 HG23 THR A 95 -9.873 -0.153 10.131 1.00 0.00 H new ATOM 1037 N MET A 96 -9.309 2.949 6.863 1.00 0.00 N ATOM 1038 CA MET A 96 -9.735 4.331 6.670 1.00 0.00 C ATOM 1039 C MET A 96 -10.789 4.342 5.561 1.00 0.00 C ATOM 1040 O MET A 96 -11.863 4.928 5.717 1.00 0.00 O ATOM 1041 CB MET A 96 -8.599 5.316 6.284 1.00 0.00 C ATOM 1042 CG MET A 96 -8.990 6.745 6.665 1.00 0.00 C ATOM 1043 SD MET A 96 -9.280 7.095 8.423 1.00 0.00 S ATOM 1044 CE MET A 96 -7.613 7.505 8.994 1.00 0.00 C ATOM 0 H MET A 96 -8.330 2.769 6.640 1.00 0.00 H new ATOM 0 HA MET A 96 -10.117 4.679 7.630 1.00 0.00 H new ATOM 0 HB2 MET A 96 -7.676 5.036 6.792 1.00 0.00 H new ATOM 0 HB3 MET A 96 -8.404 5.257 5.213 1.00 0.00 H new ATOM 0 HG2 MET A 96 -8.204 7.414 6.314 1.00 0.00 H new ATOM 0 HG3 MET A 96 -9.896 7.003 6.117 1.00 0.00 H new ATOM 0 HE1 MET A 96 -7.670 7.976 9.975 1.00 0.00 H new ATOM 0 HE2 MET A 96 -7.018 6.594 9.063 1.00 0.00 H new ATOM 0 HE3 MET A 96 -7.145 8.192 8.288 1.00 0.00 H new ATOM 1054 N VAL A 97 -10.415 3.729 4.437 1.00 0.00 N ATOM 1055 CA VAL A 97 -11.132 3.766 3.175 1.00 0.00 C ATOM 1056 C VAL A 97 -12.287 2.762 3.196 1.00 0.00 C ATOM 1057 O VAL A 97 -12.316 1.826 3.991 1.00 0.00 O ATOM 1058 CB VAL A 97 -10.150 3.512 2.002 1.00 0.00 C ATOM 1059 CG1 VAL A 97 -10.746 3.888 0.632 1.00 0.00 C ATOM 1060 CG2 VAL A 97 -8.837 4.303 2.140 1.00 0.00 C ATOM 0 H VAL A 97 -9.564 3.169 4.386 1.00 0.00 H new ATOM 0 HA VAL A 97 -11.567 4.754 3.027 1.00 0.00 H new ATOM 0 HB VAL A 97 -9.956 2.441 2.052 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -10.014 3.689 -0.150 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -11.642 3.295 0.450 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -11.004 4.947 0.626 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.190 4.085 1.290 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -9.056 5.370 2.165 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -8.334 4.015 3.063 1.00 0.00 H new ATOM 1070 N GLN A 98 -13.212 2.965 2.264 1.00 0.00 N ATOM 1071 CA GLN A 98 -14.374 2.155 1.965 1.00 0.00 C ATOM 1072 C GLN A 98 -14.122 1.416 0.651 1.00 0.00 C ATOM 1073 O GLN A 98 -13.593 2.015 -0.287 1.00 0.00 O ATOM 1074 CB GLN A 98 -15.542 3.147 1.859 1.00 0.00 C ATOM 1075 CG GLN A 98 -16.760 2.656 1.068 1.00 0.00 C ATOM 1076 CD GLN A 98 -16.953 3.331 -0.292 1.00 0.00 C ATOM 1077 OE1 GLN A 98 -18.047 3.803 -0.594 1.00 0.00 O ATOM 1078 NE2 GLN A 98 -15.930 3.399 -1.130 1.00 0.00 N ATOM 0 H GLN A 98 -13.157 3.775 1.647 1.00 0.00 H new ATOM 0 HA GLN A 98 -14.591 1.400 2.721 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -15.867 3.407 2.867 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -15.176 4.063 1.396 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -16.668 1.581 0.915 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -17.655 2.817 1.669 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -15.028 3.003 -0.866 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -16.044 3.847 -2.039 1.00 0.00 H new ATOM 1087 N ASP A 99 -14.554 0.154 0.548 1.00 0.00 N ATOM 1088 CA ASP A 99 -14.481 -0.755 -0.617 1.00 0.00 C ATOM 1089 C ASP A 99 -13.061 -1.128 -1.051 1.00 0.00 C ATOM 1090 O ASP A 99 -12.868 -2.136 -1.727 1.00 0.00 O ATOM 1091 CB ASP A 99 -15.228 -0.190 -1.838 1.00 0.00 C ATOM 1092 CG ASP A 99 -15.470 -1.246 -2.928 1.00 0.00 C ATOM 1093 OD1 ASP A 99 -15.251 -0.942 -4.127 1.00 0.00 O ATOM 1094 OD2 ASP A 99 -15.931 -2.364 -2.605 1.00 0.00 O ATOM 0 H ASP A 99 -15.003 -0.303 1.342 1.00 0.00 H new ATOM 0 HA ASP A 99 -14.965 -1.664 -0.260 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -16.186 0.219 -1.515 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -14.655 0.636 -2.259 1.00 0.00 H new ATOM 1100 N ALA A 100 -12.065 -0.333 -0.671 1.00 0.00 N ATOM 1101 CA ALA A 100 -10.673 -0.574 -0.964 1.00 0.00 C ATOM 1102 C ALA A 100 -10.168 -1.782 -0.178 1.00 0.00 C ATOM 1103 O ALA A 100 -10.575 -1.987 0.966 1.00 0.00 O ATOM 1104 CB ALA A 100 -9.885 0.665 -0.565 1.00 0.00 C ATOM 0 H ALA A 100 -12.219 0.521 -0.134 1.00 0.00 H new ATOM 0 HA ALA A 100 -10.547 -0.780 -2.027 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -8.827 0.508 -0.777 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -10.245 1.523 -1.132 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -10.017 0.853 0.501 1.00 0.00 H new ATOM 1110 N THR A 101 -9.238 -2.540 -0.758 1.00 0.00 N ATOM 1111 CA THR A 101 -8.819 -3.827 -0.215 1.00 0.00 C ATOM 1112 C THR A 101 -7.311 -4.021 -0.363 1.00 0.00 C ATOM 1113 O THR A 101 -6.651 -3.252 -1.070 1.00 0.00 O ATOM 1114 CB THR A 101 -9.621 -4.973 -0.877 1.00 0.00 C ATOM 1115 OG1 THR A 101 -9.049 -5.416 -2.092 1.00 0.00 O ATOM 1116 CG2 THR A 101 -11.084 -4.671 -1.191 1.00 0.00 C ATOM 0 H THR A 101 -8.755 -2.277 -1.617 1.00 0.00 H new ATOM 0 HA THR A 101 -9.035 -3.845 0.853 1.00 0.00 H new ATOM 0 HB THR A 101 -9.577 -5.736 -0.100 1.00 0.00 H new ATOM 0 HG1 THR A 101 -9.594 -6.140 -2.465 1.00 0.00 H new ATOM 0 HG21 THR A 101 -11.545 -5.545 -1.652 1.00 0.00 H new ATOM 0 HG22 THR A 101 -11.611 -4.427 -0.269 1.00 0.00 H new ATOM 0 HG23 THR A 101 -11.142 -3.826 -1.877 1.00 0.00 H new ATOM 1124 N ALA A 102 -6.772 -5.057 0.289 1.00 0.00 N ATOM 1125 CA ALA A 102 -5.379 -5.465 0.205 1.00 0.00 C ATOM 1126 C ALA A 102 -5.272 -6.984 0.406 1.00 0.00 C ATOM 1127 O ALA A 102 -5.759 -7.518 1.405 1.00 0.00 O ATOM 1128 CB ALA A 102 -4.570 -4.694 1.254 1.00 0.00 C ATOM 0 H ALA A 102 -7.320 -5.652 0.911 1.00 0.00 H new ATOM 0 HA ALA A 102 -4.972 -5.233 -0.779 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -3.523 -4.993 1.199 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -4.652 -3.624 1.062 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -4.959 -4.915 2.248 1.00 0.00 H new ATOM 1134 N HIS A 103 -4.657 -7.670 -0.552 1.00 0.00 N ATOM 1135 CA HIS A 103 -4.322 -9.090 -0.565 1.00 0.00 C ATOM 1136 C HIS A 103 -2.880 -9.246 -1.051 1.00 0.00 C ATOM 1137 O HIS A 103 -2.274 -8.330 -1.615 1.00 0.00 O ATOM 1138 CB HIS A 103 -5.349 -9.822 -1.456 1.00 0.00 C ATOM 1139 CG HIS A 103 -4.945 -11.154 -2.047 1.00 0.00 C ATOM 1140 ND1 HIS A 103 -5.394 -12.409 -1.692 1.00 0.00 N ATOM 1141 CD2 HIS A 103 -4.143 -11.314 -3.145 1.00 0.00 C ATOM 1142 CE1 HIS A 103 -4.894 -13.282 -2.585 1.00 0.00 C ATOM 1143 NE2 HIS A 103 -4.120 -12.664 -3.487 1.00 0.00 N ATOM 0 H HIS A 103 -4.355 -7.209 -1.410 1.00 0.00 H new ATOM 0 HA HIS A 103 -4.376 -9.535 0.428 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -6.253 -9.977 -0.867 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -5.614 -9.157 -2.278 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -5.994 -12.634 -0.899 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -3.616 -10.525 -3.660 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -5.091 -14.344 -2.576 1.00 0.00 H new ATOM 1152 N LEU A 104 -2.311 -10.421 -0.813 1.00 0.00 N ATOM 1153 CA LEU A 104 -0.951 -10.788 -1.161 1.00 0.00 C ATOM 1154 C LEU A 104 -1.041 -12.106 -1.922 1.00 0.00 C ATOM 1155 O LEU A 104 -1.483 -13.115 -1.365 1.00 0.00 O ATOM 1156 CB LEU A 104 -0.130 -10.916 0.132 1.00 0.00 C ATOM 1157 CG LEU A 104 1.025 -11.935 0.082 1.00 0.00 C ATOM 1158 CD1 LEU A 104 2.056 -11.679 -1.001 1.00 0.00 C ATOM 1159 CD2 LEU A 104 1.792 -11.862 1.384 1.00 0.00 C ATOM 0 H LEU A 104 -2.813 -11.178 -0.349 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.456 -10.044 -1.784 1.00 0.00 H new ATOM 0 HB2 LEU A 104 0.281 -9.938 0.380 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.802 -11.194 0.944 1.00 0.00 H new ATOM 0 HG LEU A 104 0.547 -12.895 -0.114 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.828 -12.447 -0.957 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.572 -11.706 -1.977 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.509 -10.700 -0.848 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.613 -12.578 1.363 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.191 -10.856 1.515 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.125 -12.099 2.213 1.00 0.00 H new ATOM 1171 N ASP A 105 -0.590 -12.098 -3.174 1.00 0.00 N ATOM 1172 CA ASP A 105 -0.284 -13.315 -3.905 1.00 0.00 C ATOM 1173 C ASP A 105 1.139 -13.725 -3.552 1.00 0.00 C ATOM 1174 O ASP A 105 2.102 -13.184 -4.102 1.00 0.00 O ATOM 1175 CB ASP A 105 -0.371 -13.125 -5.430 1.00 0.00 C ATOM 1176 CG ASP A 105 -0.524 -14.488 -6.101 1.00 0.00 C ATOM 1177 OD1 ASP A 105 -1.295 -14.601 -7.079 1.00 0.00 O ATOM 1178 OD2 ASP A 105 0.141 -15.454 -5.669 1.00 0.00 O ATOM 0 H ASP A 105 -0.428 -11.244 -3.707 1.00 0.00 H new ATOM 0 HA ASP A 105 -1.015 -14.073 -3.625 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -1.218 -12.486 -5.681 1.00 0.00 H new ATOM 0 HB3 ASP A 105 0.525 -12.625 -5.797 1.00 0.00 H new ATOM 1184 N VAL A 106 1.322 -14.615 -2.583 1.00 0.00 N ATOM 1185 CA VAL A 106 2.667 -15.112 -2.307 1.00 0.00 C ATOM 1186 C VAL A 106 3.085 -16.139 -3.363 1.00 0.00 C ATOM 1187 O VAL A 106 4.278 -16.389 -3.521 1.00 0.00 O ATOM 1188 CB VAL A 106 2.732 -15.636 -0.867 1.00 0.00 C ATOM 1189 CG1 VAL A 106 2.271 -17.081 -0.699 1.00 0.00 C ATOM 1190 CG2 VAL A 106 4.136 -15.491 -0.274 1.00 0.00 C ATOM 0 H VAL A 106 0.584 -14.998 -1.992 1.00 0.00 H new ATOM 0 HA VAL A 106 3.395 -14.304 -2.379 1.00 0.00 H new ATOM 0 HB VAL A 106 2.027 -15.007 -0.323 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.350 -17.369 0.349 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.234 -17.172 -1.023 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.899 -17.736 -1.303 1.00 0.00 H new ATOM 0 HG21 VAL A 106 4.141 -15.873 0.747 1.00 0.00 H new ATOM 0 HG22 VAL A 106 4.846 -16.057 -0.877 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.422 -14.439 -0.269 1.00 0.00 H new ATOM 1200 N GLY A 107 2.123 -16.703 -4.103 1.00 0.00 N ATOM 1201 CA GLY A 107 2.358 -17.766 -5.050 1.00 0.00 C ATOM 1202 C GLY A 107 3.083 -17.242 -6.278 1.00 0.00 C ATOM 1203 O GLY A 107 3.997 -17.892 -6.786 1.00 0.00 O ATOM 0 H GLY A 107 1.145 -16.418 -4.049 1.00 0.00 H new ATOM 0 HA2 GLY A 107 2.949 -18.553 -4.581 1.00 0.00 H new ATOM 0 HA3 GLY A 107 1.409 -18.213 -5.345 1.00 0.00 H new ATOM 1207 N GLN A 108 2.712 -16.046 -6.726 1.00 0.00 N ATOM 1208 CA GLN A 108 3.308 -15.331 -7.846 1.00 0.00 C ATOM 1209 C GLN A 108 3.912 -14.002 -7.382 1.00 0.00 C ATOM 1210 O GLN A 108 4.036 -13.088 -8.193 1.00 0.00 O ATOM 1211 CB GLN A 108 2.271 -15.177 -8.971 1.00 0.00 C ATOM 1212 CG GLN A 108 1.896 -16.538 -9.584 1.00 0.00 C ATOM 1213 CD GLN A 108 1.705 -16.450 -11.096 1.00 0.00 C ATOM 1214 OE1 GLN A 108 2.624 -16.123 -11.850 1.00 0.00 O ATOM 1215 NE2 GLN A 108 0.525 -16.733 -11.610 1.00 0.00 N ATOM 0 H GLN A 108 1.949 -15.525 -6.295 1.00 0.00 H new ATOM 0 HA GLN A 108 4.139 -15.906 -8.256 1.00 0.00 H new ATOM 0 HB2 GLN A 108 1.376 -14.695 -8.578 1.00 0.00 H new ATOM 0 HB3 GLN A 108 2.670 -14.525 -9.748 1.00 0.00 H new ATOM 0 HG2 GLN A 108 2.677 -17.265 -9.359 1.00 0.00 H new ATOM 0 HG3 GLN A 108 0.978 -16.903 -9.123 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -0.245 -17.005 -10.999 1.00 0.00 H new ATOM 0 HE22 GLN A 108 0.382 -16.680 -12.619 1.00 0.00 H new ATOM 1224 N GLN A 109 4.286 -13.906 -6.097 1.00 0.00 N ATOM 1225 CA GLN A 109 4.913 -12.757 -5.442 1.00 0.00 C ATOM 1226 C GLN A 109 4.415 -11.418 -6.012 1.00 0.00 C ATOM 1227 O GLN A 109 5.129 -10.706 -6.730 1.00 0.00 O ATOM 1228 CB GLN A 109 6.448 -12.916 -5.446 1.00 0.00 C ATOM 1229 CG GLN A 109 6.972 -13.678 -4.217 1.00 0.00 C ATOM 1230 CD GLN A 109 8.472 -13.446 -4.026 1.00 0.00 C ATOM 1231 OE1 GLN A 109 9.308 -14.234 -4.455 1.00 0.00 O ATOM 1232 NE2 GLN A 109 8.856 -12.337 -3.413 1.00 0.00 N ATOM 0 H GLN A 109 4.148 -14.682 -5.449 1.00 0.00 H new ATOM 0 HA GLN A 109 4.604 -12.735 -4.397 1.00 0.00 H new ATOM 0 HB2 GLN A 109 6.752 -13.443 -6.351 1.00 0.00 H new ATOM 0 HB3 GLN A 109 6.911 -11.930 -5.481 1.00 0.00 H new ATOM 0 HG2 GLN A 109 6.434 -13.353 -3.327 1.00 0.00 H new ATOM 0 HG3 GLN A 109 6.778 -14.744 -4.336 1.00 0.00 H new ATOM 0 HE21 GLN A 109 8.159 -11.683 -3.057 1.00 0.00 H new ATOM 0 HE22 GLN A 109 9.849 -12.136 -3.297 1.00 0.00 H new ATOM 1241 N ARG A 110 3.174 -11.064 -5.670 1.00 0.00 N ATOM 1242 CA ARG A 110 2.522 -9.834 -6.102 1.00 0.00 C ATOM 1243 C ARG A 110 1.708 -9.279 -4.955 1.00 0.00 C ATOM 1244 O ARG A 110 1.041 -10.040 -4.250 1.00 0.00 O ATOM 1245 CB ARG A 110 1.719 -10.075 -7.394 1.00 0.00 C ATOM 1246 CG ARG A 110 0.958 -8.841 -7.914 1.00 0.00 C ATOM 1247 CD ARG A 110 -0.034 -9.211 -9.023 1.00 0.00 C ATOM 1248 NE ARG A 110 0.629 -9.421 -10.315 1.00 0.00 N ATOM 1249 CZ ARG A 110 0.059 -9.557 -11.515 1.00 0.00 C ATOM 1250 NH1 ARG A 110 -1.256 -9.453 -11.700 1.00 0.00 N ATOM 1251 NH2 ARG A 110 0.831 -9.788 -12.563 1.00 0.00 N ATOM 0 H ARG A 110 2.584 -11.641 -5.071 1.00 0.00 H new ATOM 0 HA ARG A 110 3.258 -9.073 -6.362 1.00 0.00 H new ATOM 0 HB2 ARG A 110 2.401 -10.419 -8.171 1.00 0.00 H new ATOM 0 HB3 ARG A 110 1.004 -10.879 -7.218 1.00 0.00 H new ATOM 0 HG2 ARG A 110 0.423 -8.370 -7.090 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.670 -8.108 -8.293 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -0.570 -10.117 -8.741 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -0.776 -8.419 -9.122 1.00 0.00 H new ATOM 0 HE ARG A 110 1.648 -9.469 -10.294 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -1.869 -9.262 -10.907 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -1.650 -9.564 -12.634 1.00 0.00 H new ATOM 0 HH21 ARG A 110 1.842 -9.859 -12.446 1.00 0.00 H new ATOM 0 HH22 ARG A 110 0.416 -9.895 -13.489 1.00 0.00 H new ATOM 1265 N LEU A 111 1.739 -7.960 -4.777 1.00 0.00 N ATOM 1266 CA LEU A 111 0.885 -7.272 -3.825 1.00 0.00 C ATOM 1267 C LEU A 111 -0.324 -6.728 -4.576 1.00 0.00 C ATOM 1268 O LEU A 111 -0.121 -5.880 -5.436 1.00 0.00 O ATOM 1269 CB LEU A 111 1.662 -6.148 -3.134 1.00 0.00 C ATOM 1270 CG LEU A 111 0.825 -5.476 -2.044 1.00 0.00 C ATOM 1271 CD1 LEU A 111 0.605 -6.406 -0.862 1.00 0.00 C ATOM 1272 CD2 LEU A 111 1.558 -4.211 -1.582 1.00 0.00 C ATOM 0 H LEU A 111 2.362 -7.340 -5.294 1.00 0.00 H new ATOM 0 HA LEU A 111 0.549 -7.959 -3.049 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.575 -6.551 -2.696 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.964 -5.405 -3.873 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.154 -5.225 -2.452 1.00 0.00 H new ATOM 0 HD11 LEU A 111 0.007 -5.898 -0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 111 0.082 -7.302 -1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 111 1.568 -6.686 -0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.976 -3.717 -0.804 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.537 -4.482 -1.186 1.00 0.00 H new ATOM 0 HD23 LEU A 111 1.683 -3.534 -2.427 1.00 0.00 H new ATOM 1284 N ASN A 112 -1.543 -7.173 -4.271 1.00 0.00 N ATOM 1285 CA ASN A 112 -2.767 -6.758 -4.961 1.00 0.00 C ATOM 1286 C ASN A 112 -3.558 -5.859 -4.025 1.00 0.00 C ATOM 1287 O ASN A 112 -4.028 -6.341 -2.991 1.00 0.00 O ATOM 1288 CB ASN A 112 -3.652 -7.975 -5.310 1.00 0.00 C ATOM 1289 CG ASN A 112 -3.650 -8.387 -6.782 1.00 0.00 C ATOM 1290 OD1 ASN A 112 -3.428 -7.580 -7.687 1.00 0.00 O ATOM 1291 ND2 ASN A 112 -3.952 -9.643 -7.077 1.00 0.00 N ATOM 0 H ASN A 112 -1.712 -7.845 -3.523 1.00 0.00 H new ATOM 0 HA ASN A 112 -2.491 -6.245 -5.882 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -3.323 -8.825 -4.712 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -4.677 -7.754 -5.014 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -4.000 -9.941 -8.051 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -4.136 -10.312 -6.330 1.00 0.00 H new ATOM 1298 N LEU A 113 -3.761 -4.591 -4.373 1.00 0.00 N ATOM 1299 CA LEU A 113 -4.656 -3.707 -3.629 1.00 0.00 C ATOM 1300 C LEU A 113 -5.718 -3.148 -4.580 1.00 0.00 C ATOM 1301 O LEU A 113 -5.519 -3.085 -5.797 1.00 0.00 O ATOM 1302 CB LEU A 113 -3.883 -2.591 -2.891 1.00 0.00 C ATOM 1303 CG LEU A 113 -2.525 -2.993 -2.265 1.00 0.00 C ATOM 1304 CD1 LEU A 113 -1.375 -2.660 -3.226 1.00 0.00 C ATOM 1305 CD2 LEU A 113 -2.255 -2.268 -0.944 1.00 0.00 C ATOM 0 H LEU A 113 -3.312 -4.148 -5.175 1.00 0.00 H new ATOM 0 HA LEU A 113 -5.156 -4.283 -2.850 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.708 -1.775 -3.592 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -4.522 -2.199 -2.099 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.580 -4.065 -2.076 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.427 -2.948 -2.772 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -1.511 -3.206 -4.160 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -1.369 -1.589 -3.429 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -1.291 -2.584 -0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -2.241 -1.192 -1.116 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -3.041 -2.511 -0.228 1.00 0.00 H new ATOM 1317 N THR A 114 -6.835 -2.683 -4.033 1.00 0.00 N ATOM 1318 CA THR A 114 -7.961 -2.153 -4.793 1.00 0.00 C ATOM 1319 C THR A 114 -8.382 -0.836 -4.162 1.00 0.00 C ATOM 1320 O THR A 114 -8.357 -0.755 -2.937 1.00 0.00 O ATOM 1321 CB THR A 114 -9.100 -3.180 -4.755 1.00 0.00 C ATOM 1322 OG1 THR A 114 -8.722 -4.330 -5.491 1.00 0.00 O ATOM 1323 CG2 THR A 114 -10.390 -2.629 -5.361 1.00 0.00 C ATOM 0 H THR A 114 -6.987 -2.664 -3.025 1.00 0.00 H new ATOM 0 HA THR A 114 -7.693 -1.973 -5.834 1.00 0.00 H new ATOM 0 HB THR A 114 -9.284 -3.423 -3.708 1.00 0.00 H new ATOM 0 HG1 THR A 114 -9.448 -4.988 -5.466 1.00 0.00 H new ATOM 0 HG21 THR A 114 -11.169 -3.390 -5.313 1.00 0.00 H new ATOM 0 HG22 THR A 114 -10.708 -1.749 -4.802 1.00 0.00 H new ATOM 0 HG23 THR A 114 -10.215 -2.354 -6.401 1.00 0.00 H new ATOM 1331 N ILE A 115 -8.761 0.168 -4.966 1.00 0.00 N ATOM 1332 CA ILE A 115 -9.285 1.456 -4.498 1.00 0.00 C ATOM 1333 C ILE A 115 -10.310 1.993 -5.518 1.00 0.00 C ATOM 1334 O ILE A 115 -9.984 2.064 -6.706 1.00 0.00 O ATOM 1335 CB ILE A 115 -8.121 2.460 -4.287 1.00 0.00 C ATOM 1336 CG1 ILE A 115 -7.080 1.926 -3.272 1.00 0.00 C ATOM 1337 CG2 ILE A 115 -8.639 3.832 -3.823 1.00 0.00 C ATOM 1338 CD1 ILE A 115 -5.975 2.901 -2.883 1.00 0.00 C ATOM 0 H ILE A 115 -8.710 0.104 -5.983 1.00 0.00 H new ATOM 0 HA ILE A 115 -9.788 1.323 -3.540 1.00 0.00 H new ATOM 0 HB ILE A 115 -7.632 2.578 -5.254 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -7.606 1.621 -2.367 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -6.619 1.031 -3.689 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -7.798 4.511 -3.685 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -9.314 4.239 -4.575 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -9.173 3.719 -2.879 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -5.304 2.424 -2.169 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -5.414 3.189 -3.772 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -6.416 3.788 -2.429 1.00 0.00 H new ATOM 1350 N PRO A 116 -11.504 2.442 -5.083 1.00 0.00 N ATOM 1351 CA PRO A 116 -12.486 3.036 -5.975 1.00 0.00 C ATOM 1352 C PRO A 116 -12.071 4.438 -6.446 1.00 0.00 C ATOM 1353 O PRO A 116 -11.386 5.181 -5.737 1.00 0.00 O ATOM 1354 CB PRO A 116 -13.791 3.061 -5.182 1.00 0.00 C ATOM 1355 CG PRO A 116 -13.389 3.010 -3.718 1.00 0.00 C ATOM 1356 CD PRO A 116 -12.015 2.350 -3.722 1.00 0.00 C ATOM 0 HA PRO A 116 -12.587 2.458 -6.893 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -14.363 3.963 -5.399 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -14.423 2.212 -5.443 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -13.348 4.008 -3.283 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -14.104 2.435 -3.130 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -11.344 2.850 -3.023 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -12.086 1.309 -3.406 1.00 0.00 H new ATOM 1364 N GLN A 117 -12.570 4.850 -7.617 1.00 0.00 N ATOM 1365 CA GLN A 117 -12.234 6.106 -8.287 1.00 0.00 C ATOM 1366 C GLN A 117 -12.491 7.346 -7.442 1.00 0.00 C ATOM 1367 O GLN A 117 -11.817 8.363 -7.635 1.00 0.00 O ATOM 1368 CB GLN A 117 -13.050 6.233 -9.589 1.00 0.00 C ATOM 1369 CG GLN A 117 -12.425 5.500 -10.776 1.00 0.00 C ATOM 1370 CD GLN A 117 -11.074 6.120 -11.132 1.00 0.00 C ATOM 1371 OE1 GLN A 117 -10.992 7.165 -11.773 1.00 0.00 O ATOM 1372 NE2 GLN A 117 -9.990 5.552 -10.638 1.00 0.00 N ATOM 0 H GLN A 117 -13.245 4.294 -8.142 1.00 0.00 H new ATOM 0 HA GLN A 117 -11.162 6.062 -8.482 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -14.053 5.843 -9.419 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -13.157 7.288 -9.840 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -12.296 4.445 -10.533 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -13.093 5.550 -11.636 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -10.066 4.685 -10.107 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -9.077 5.981 -10.787 1.00 0.00 H new ATOM 1381 N ALA A 118 -13.446 7.256 -6.519 1.00 0.00 N ATOM 1382 CA ALA A 118 -13.832 8.342 -5.638 1.00 0.00 C ATOM 1383 C ALA A 118 -12.665 8.806 -4.759 1.00 0.00 C ATOM 1384 O ALA A 118 -12.632 9.975 -4.377 1.00 0.00 O ATOM 1385 CB ALA A 118 -14.993 7.877 -4.767 1.00 0.00 C ATOM 0 H ALA A 118 -13.983 6.403 -6.364 1.00 0.00 H new ATOM 0 HA ALA A 118 -14.133 9.194 -6.248 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -15.293 8.685 -4.099 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -15.835 7.598 -5.401 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -14.683 7.015 -4.177 1.00 0.00 H new ATOM 1391 N PHE A 119 -11.703 7.924 -4.469 1.00 0.00 N ATOM 1392 CA PHE A 119 -10.524 8.258 -3.689 1.00 0.00 C ATOM 1393 C PHE A 119 -9.264 7.998 -4.514 1.00 0.00 C ATOM 1394 O PHE A 119 -8.291 7.495 -3.975 1.00 0.00 O ATOM 1395 CB PHE A 119 -10.482 7.518 -2.338 1.00 0.00 C ATOM 1396 CG PHE A 119 -11.764 7.534 -1.533 1.00 0.00 C ATOM 1397 CD1 PHE A 119 -12.076 8.573 -0.639 1.00 0.00 C ATOM 1398 CD2 PHE A 119 -12.636 6.448 -1.660 1.00 0.00 C ATOM 1399 CE1 PHE A 119 -13.290 8.554 0.069 1.00 0.00 C ATOM 1400 CE2 PHE A 119 -13.809 6.386 -0.899 1.00 0.00 C ATOM 1401 CZ PHE A 119 -14.160 7.457 -0.064 1.00 0.00 C ATOM 0 H PHE A 119 -11.728 6.951 -4.775 1.00 0.00 H new ATOM 0 HA PHE A 119 -10.572 9.320 -3.448 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -10.205 6.480 -2.523 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -9.690 7.956 -1.731 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -11.381 9.388 -0.496 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -12.402 5.651 -2.351 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -13.554 9.380 0.713 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -14.444 5.514 -0.955 1.00 0.00 H new ATOM 0 HZ PHE A 119 -15.096 7.439 0.475 1.00 0.00 H new ATOM 1411 N MET A 120 -9.206 8.348 -5.797 1.00 0.00 N ATOM 1412 CA MET A 120 -7.983 8.207 -6.584 1.00 0.00 C ATOM 1413 C MET A 120 -7.639 9.595 -7.154 1.00 0.00 C ATOM 1414 O MET A 120 -8.454 10.206 -7.839 1.00 0.00 O ATOM 1415 CB MET A 120 -8.226 7.180 -7.699 1.00 0.00 C ATOM 1416 CG MET A 120 -8.227 5.734 -7.184 1.00 0.00 C ATOM 1417 SD MET A 120 -6.595 5.089 -6.715 1.00 0.00 S ATOM 1418 CE MET A 120 -5.842 4.900 -8.356 1.00 0.00 C ATOM 0 H MET A 120 -9.995 8.733 -6.316 1.00 0.00 H new ATOM 0 HA MET A 120 -7.148 7.851 -5.980 1.00 0.00 H new ATOM 0 HB2 MET A 120 -9.182 7.391 -8.179 1.00 0.00 H new ATOM 0 HB3 MET A 120 -7.455 7.289 -8.462 1.00 0.00 H new ATOM 0 HG2 MET A 120 -8.888 5.672 -6.320 1.00 0.00 H new ATOM 0 HG3 MET A 120 -8.649 5.089 -7.955 1.00 0.00 H new ATOM 0 HE1 MET A 120 -4.872 4.412 -8.257 1.00 0.00 H new ATOM 0 HE2 MET A 120 -6.491 4.293 -8.987 1.00 0.00 H new ATOM 0 HE3 MET A 120 -5.710 5.882 -8.811 1.00 0.00 H new ATOM 1428 N SER A 121 -6.476 10.140 -6.793 1.00 0.00 N ATOM 1429 CA SER A 121 -5.838 11.342 -7.315 1.00 0.00 C ATOM 1430 C SER A 121 -4.405 11.309 -6.778 1.00 0.00 C ATOM 1431 O SER A 121 -4.228 11.101 -5.579 1.00 0.00 O ATOM 1432 CB SER A 121 -6.531 12.618 -6.838 1.00 0.00 C ATOM 1433 OG SER A 121 -6.338 13.672 -7.758 1.00 0.00 O ATOM 0 H SER A 121 -5.909 9.710 -6.062 1.00 0.00 H new ATOM 0 HA SER A 121 -5.886 11.354 -8.404 1.00 0.00 H new ATOM 0 HB2 SER A 121 -7.597 12.432 -6.711 1.00 0.00 H new ATOM 0 HB3 SER A 121 -6.140 12.906 -5.862 1.00 0.00 H new ATOM 0 HG SER A 121 -7.024 14.358 -7.619 1.00 0.00 H new ATOM 1439 N ASN A 122 -3.393 11.532 -7.616 1.00 0.00 N ATOM 1440 CA ASN A 122 -1.976 11.461 -7.228 1.00 0.00 C ATOM 1441 C ASN A 122 -1.570 12.446 -6.117 1.00 0.00 C ATOM 1442 O ASN A 122 -0.591 12.228 -5.417 1.00 0.00 O ATOM 1443 CB ASN A 122 -1.132 11.773 -8.465 1.00 0.00 C ATOM 1444 CG ASN A 122 0.324 11.339 -8.285 1.00 0.00 C ATOM 1445 OD1 ASN A 122 1.132 12.037 -7.679 1.00 0.00 O ATOM 1446 ND2 ASN A 122 0.698 10.178 -8.797 1.00 0.00 N ATOM 0 H ASN A 122 -3.531 11.771 -8.598 1.00 0.00 H new ATOM 0 HA ASN A 122 -1.810 10.458 -6.834 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -1.557 11.267 -9.332 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -1.169 12.843 -8.670 1.00 0.00 H new ATOM 0 HD21 ASN A 122 1.661 9.860 -8.689 1.00 0.00 H new ATOM 0 HD22 ASN A 122 0.023 9.601 -9.300 1.00 0.00 H new ATOM 1453 N ARG A 123 -2.280 13.566 -5.983 1.00 0.00 N ATOM 1454 CA ARG A 123 -1.962 14.712 -5.124 1.00 0.00 C ATOM 1455 C ARG A 123 -1.789 14.375 -3.623 1.00 0.00 C ATOM 1456 O ARG A 123 -2.722 14.609 -2.847 1.00 0.00 O ATOM 1457 CB ARG A 123 -3.035 15.795 -5.402 1.00 0.00 C ATOM 1458 CG ARG A 123 -4.481 15.401 -5.013 1.00 0.00 C ATOM 1459 CD ARG A 123 -5.583 16.088 -5.825 1.00 0.00 C ATOM 1460 NE ARG A 123 -5.948 17.418 -5.312 1.00 0.00 N ATOM 1461 CZ ARG A 123 -6.934 18.174 -5.807 1.00 0.00 C ATOM 1462 NH1 ARG A 123 -7.742 17.697 -6.745 1.00 0.00 N ATOM 1463 NH2 ARG A 123 -7.090 19.416 -5.364 1.00 0.00 N ATOM 0 H ARG A 123 -3.146 13.708 -6.502 1.00 0.00 H new ATOM 0 HA ARG A 123 -0.970 15.085 -5.379 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -2.763 16.701 -4.860 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -3.015 16.040 -6.464 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -4.589 14.322 -5.123 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -4.632 15.630 -3.958 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -5.254 16.184 -6.860 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -6.469 15.453 -5.830 1.00 0.00 H new ATOM 0 HE ARG A 123 -5.413 17.788 -4.526 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -7.614 16.747 -7.094 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -8.492 18.280 -7.117 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -6.461 19.786 -4.652 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -7.839 20.000 -5.736 1.00 0.00 H new ATOM 1477 N ALA A 124 -0.624 13.891 -3.156 1.00 0.00 N ATOM 1478 CA ALA A 124 -0.395 13.735 -1.723 1.00 0.00 C ATOM 1479 C ALA A 124 -0.316 15.110 -1.046 1.00 0.00 C ATOM 1480 O ALA A 124 -0.358 16.173 -1.674 1.00 0.00 O ATOM 1481 CB ALA A 124 0.866 12.893 -1.424 1.00 0.00 C ATOM 0 H ALA A 124 0.158 13.607 -3.746 1.00 0.00 H new ATOM 0 HA ALA A 124 -1.242 13.189 -1.309 1.00 0.00 H new ATOM 0 HB1 ALA A 124 0.996 12.804 -0.346 1.00 0.00 H new ATOM 0 HB2 ALA A 124 0.752 11.900 -1.859 1.00 0.00 H new ATOM 0 HB3 ALA A 124 1.740 13.381 -1.856 1.00 0.00 H new ATOM 1487 N ARG A 125 -0.178 15.061 0.270 1.00 0.00 N ATOM 1488 CA ARG A 125 0.313 16.095 1.155 1.00 0.00 C ATOM 1489 C ARG A 125 1.527 15.447 1.818 1.00 0.00 C ATOM 1490 O ARG A 125 1.546 14.229 2.029 1.00 0.00 O ATOM 1491 CB ARG A 125 -0.776 16.450 2.179 1.00 0.00 C ATOM 1492 CG ARG A 125 -1.947 17.255 1.602 1.00 0.00 C ATOM 1493 CD ARG A 125 -1.759 18.766 1.791 1.00 0.00 C ATOM 1494 NE ARG A 125 -2.349 19.179 3.073 1.00 0.00 N ATOM 1495 CZ ARG A 125 -2.718 20.414 3.412 1.00 0.00 C ATOM 1496 NH1 ARG A 125 -2.178 21.479 2.835 1.00 0.00 N ATOM 1497 NH2 ARG A 125 -3.646 20.576 4.345 1.00 0.00 N ATOM 0 H ARG A 125 -0.431 14.219 0.788 1.00 0.00 H new ATOM 0 HA ARG A 125 0.573 17.027 0.653 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -1.163 15.529 2.614 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -0.323 17.020 2.990 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -2.050 17.033 0.540 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -2.873 16.943 2.084 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -0.698 19.016 1.770 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -2.231 19.307 0.971 1.00 0.00 H new ATOM 0 HE ARG A 125 -2.490 18.449 3.771 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -1.464 21.362 2.115 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -2.476 22.415 3.111 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -4.067 19.762 4.792 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -3.939 21.515 4.615 1.00 0.00 H new ATOM 1511 N GLY A 126 2.544 16.236 2.136 1.00 0.00 N ATOM 1512 CA GLY A 126 3.856 15.702 2.444 1.00 0.00 C ATOM 1513 C GLY A 126 4.554 15.421 1.124 1.00 0.00 C ATOM 1514 O GLY A 126 5.113 16.352 0.541 1.00 0.00 O ATOM 0 H GLY A 126 2.481 17.253 2.187 1.00 0.00 H new ATOM 0 HA2 GLY A 126 4.430 16.413 3.038 1.00 0.00 H new ATOM 0 HA3 GLY A 126 3.770 14.790 3.034 1.00 0.00 H new ATOM 1518 N TYR A 127 4.422 14.186 0.620 1.00 0.00 N ATOM 1519 CA TYR A 127 5.237 13.532 -0.414 1.00 0.00 C ATOM 1520 C TYR A 127 6.584 13.179 0.218 1.00 0.00 C ATOM 1521 O TYR A 127 7.274 14.069 0.715 1.00 0.00 O ATOM 1522 CB TYR A 127 5.418 14.383 -1.703 1.00 0.00 C ATOM 1523 CG TYR A 127 6.155 13.748 -2.880 1.00 0.00 C ATOM 1524 CD1 TYR A 127 7.432 13.181 -2.711 1.00 0.00 C ATOM 1525 CD2 TYR A 127 5.614 13.800 -4.181 1.00 0.00 C ATOM 1526 CE1 TYR A 127 8.104 12.546 -3.761 1.00 0.00 C ATOM 1527 CE2 TYR A 127 6.286 13.191 -5.258 1.00 0.00 C ATOM 1528 CZ TYR A 127 7.525 12.545 -5.051 1.00 0.00 C ATOM 1529 OH TYR A 127 8.161 11.965 -6.101 1.00 0.00 O ATOM 0 H TYR A 127 3.682 13.568 0.952 1.00 0.00 H new ATOM 0 HA TYR A 127 4.716 12.636 -0.753 1.00 0.00 H new ATOM 0 HB2 TYR A 127 4.428 14.680 -2.049 1.00 0.00 H new ATOM 0 HB3 TYR A 127 5.948 15.296 -1.430 1.00 0.00 H new ATOM 0 HD1 TYR A 127 7.907 13.238 -1.743 1.00 0.00 H new ATOM 0 HD2 TYR A 127 4.678 14.310 -4.353 1.00 0.00 H new ATOM 0 HE1 TYR A 127 9.054 12.062 -3.588 1.00 0.00 H new ATOM 0 HE2 TYR A 127 5.852 13.218 -6.247 1.00 0.00 H new ATOM 0 HH TYR A 127 7.613 12.060 -6.908 1.00 0.00 H new ATOM 1539 N ILE A 128 6.991 11.908 0.139 1.00 0.00 N ATOM 1540 CA ILE A 128 8.287 11.399 0.592 1.00 0.00 C ATOM 1541 C ILE A 128 8.803 10.419 -0.468 1.00 0.00 C ATOM 1542 O ILE A 128 7.990 9.660 -1.000 1.00 0.00 O ATOM 1543 CB ILE A 128 8.104 10.753 1.986 1.00 0.00 C ATOM 1544 CG1 ILE A 128 7.811 11.846 3.033 1.00 0.00 C ATOM 1545 CG2 ILE A 128 9.242 9.828 2.456 1.00 0.00 C ATOM 1546 CD1 ILE A 128 8.952 12.848 3.281 1.00 0.00 C ATOM 0 H ILE A 128 6.401 11.177 -0.259 1.00 0.00 H new ATOM 0 HA ILE A 128 9.030 12.189 0.703 1.00 0.00 H new ATOM 0 HB ILE A 128 7.252 10.082 1.880 1.00 0.00 H new ATOM 0 HG12 ILE A 128 6.927 12.400 2.717 1.00 0.00 H new ATOM 0 HG13 ILE A 128 7.564 11.363 3.978 1.00 0.00 H new ATOM 0 HG21 ILE A 128 9.005 9.433 3.444 1.00 0.00 H new ATOM 0 HG22 ILE A 128 9.354 9.003 1.753 1.00 0.00 H new ATOM 0 HG23 ILE A 128 10.173 10.392 2.504 1.00 0.00 H new ATOM 0 HD11 ILE A 128 8.642 13.573 4.034 1.00 0.00 H new ATOM 0 HD12 ILE A 128 9.835 12.314 3.633 1.00 0.00 H new ATOM 0 HD13 ILE A 128 9.188 13.368 2.352 1.00 0.00 H new ATOM 1558 N PRO A 129 10.098 10.435 -0.826 1.00 0.00 N ATOM 1559 CA PRO A 129 10.647 9.544 -1.841 1.00 0.00 C ATOM 1560 C PRO A 129 10.859 8.122 -1.291 1.00 0.00 C ATOM 1561 O PRO A 129 10.981 7.932 -0.077 1.00 0.00 O ATOM 1562 CB PRO A 129 11.964 10.199 -2.263 1.00 0.00 C ATOM 1563 CG PRO A 129 12.416 10.992 -1.039 1.00 0.00 C ATOM 1564 CD PRO A 129 11.128 11.311 -0.284 1.00 0.00 C ATOM 0 HA PRO A 129 9.971 9.419 -2.687 1.00 0.00 H new ATOM 0 HB2 PRO A 129 12.705 9.451 -2.545 1.00 0.00 H new ATOM 0 HB3 PRO A 129 11.823 10.850 -3.126 1.00 0.00 H new ATOM 0 HG2 PRO A 129 13.102 10.411 -0.423 1.00 0.00 H new ATOM 0 HG3 PRO A 129 12.940 11.902 -1.329 1.00 0.00 H new ATOM 0 HD2 PRO A 129 11.255 11.144 0.786 1.00 0.00 H new ATOM 0 HD3 PRO A 129 10.853 12.358 -0.413 1.00 0.00 H new ATOM 1572 N PRO A 130 10.978 7.099 -2.159 1.00 0.00 N ATOM 1573 CA PRO A 130 11.176 5.718 -1.726 1.00 0.00 C ATOM 1574 C PRO A 130 12.593 5.459 -1.182 1.00 0.00 C ATOM 1575 O PRO A 130 12.894 4.334 -0.782 1.00 0.00 O ATOM 1576 CB PRO A 130 10.864 4.863 -2.957 1.00 0.00 C ATOM 1577 CG PRO A 130 11.246 5.768 -4.125 1.00 0.00 C ATOM 1578 CD PRO A 130 10.990 7.187 -3.614 1.00 0.00 C ATOM 0 HA PRO A 130 10.524 5.473 -0.888 1.00 0.00 H new ATOM 0 HB2 PRO A 130 11.441 3.938 -2.960 1.00 0.00 H new ATOM 0 HB3 PRO A 130 9.811 4.582 -2.994 1.00 0.00 H new ATOM 0 HG2 PRO A 130 12.290 5.631 -4.408 1.00 0.00 H new ATOM 0 HG3 PRO A 130 10.645 5.550 -5.008 1.00 0.00 H new ATOM 0 HD2 PRO A 130 11.767 7.870 -3.956 1.00 0.00 H new ATOM 0 HD3 PRO A 130 10.041 7.570 -3.989 1.00 0.00 H new ATOM 1586 N GLU A 131 13.467 6.467 -1.159 1.00 0.00 N ATOM 1587 CA GLU A 131 14.803 6.358 -0.590 1.00 0.00 C ATOM 1588 C GLU A 131 14.853 6.727 0.891 1.00 0.00 C ATOM 1589 O GLU A 131 15.864 6.451 1.531 1.00 0.00 O ATOM 1590 CB GLU A 131 15.762 7.228 -1.410 1.00 0.00 C ATOM 1591 CG GLU A 131 17.209 6.752 -1.219 1.00 0.00 C ATOM 1592 CD GLU A 131 18.016 6.966 -2.490 1.00 0.00 C ATOM 1593 OE1 GLU A 131 18.008 6.045 -3.337 1.00 0.00 O ATOM 1594 OE2 GLU A 131 18.558 8.071 -2.703 1.00 0.00 O ATOM 0 H GLU A 131 13.261 7.390 -1.540 1.00 0.00 H new ATOM 0 HA GLU A 131 15.109 5.313 -0.642 1.00 0.00 H new ATOM 0 HB2 GLU A 131 15.493 7.182 -2.465 1.00 0.00 H new ATOM 0 HB3 GLU A 131 15.671 8.270 -1.103 1.00 0.00 H new ATOM 0 HG2 GLU A 131 17.670 7.295 -0.394 1.00 0.00 H new ATOM 0 HG3 GLU A 131 17.217 5.696 -0.950 1.00 0.00 H new ATOM 1602 N LEU A 132 13.783 7.331 1.425 1.00 0.00 N ATOM 1603 CA LEU A 132 13.717 7.823 2.802 1.00 0.00 C ATOM 1604 C LEU A 132 12.653 7.095 3.620 1.00 0.00 C ATOM 1605 O LEU A 132 12.609 7.243 4.834 1.00 0.00 O ATOM 1606 CB LEU A 132 13.454 9.340 2.805 1.00 0.00 C ATOM 1607 CG LEU A 132 14.643 10.196 2.322 1.00 0.00 C ATOM 1608 CD1 LEU A 132 14.232 11.673 2.343 1.00 0.00 C ATOM 1609 CD2 LEU A 132 15.895 10.037 3.192 1.00 0.00 C ATOM 0 H LEU A 132 12.924 7.493 0.899 1.00 0.00 H new ATOM 0 HA LEU A 132 14.679 7.621 3.273 1.00 0.00 H new ATOM 0 HB2 LEU A 132 12.592 9.548 2.171 1.00 0.00 H new ATOM 0 HB3 LEU A 132 13.188 9.648 3.816 1.00 0.00 H new ATOM 0 HG LEU A 132 14.892 9.854 1.318 1.00 0.00 H new ATOM 0 HD11 LEU A 132 15.066 12.288 2.003 1.00 0.00 H new ATOM 0 HD12 LEU A 132 13.378 11.822 1.682 1.00 0.00 H new ATOM 0 HD13 LEU A 132 13.960 11.960 3.359 1.00 0.00 H new ATOM 0 HD21 LEU A 132 16.694 10.665 2.798 1.00 0.00 H new ATOM 0 HD22 LEU A 132 15.668 10.337 4.215 1.00 0.00 H new ATOM 0 HD23 LEU A 132 16.215 8.995 3.182 1.00 0.00 H new ATOM 1621 N TRP A 133 11.796 6.301 2.981 1.00 0.00 N ATOM 1622 CA TRP A 133 10.846 5.410 3.648 1.00 0.00 C ATOM 1623 C TRP A 133 11.435 4.014 3.867 1.00 0.00 C ATOM 1624 O TRP A 133 10.751 3.165 4.440 1.00 0.00 O ATOM 1625 CB TRP A 133 9.541 5.404 2.837 1.00 0.00 C ATOM 1626 CG TRP A 133 9.258 4.203 1.988 1.00 0.00 C ATOM 1627 CD1 TRP A 133 10.097 3.624 1.098 1.00 0.00 C ATOM 1628 CD2 TRP A 133 8.080 3.351 2.037 1.00 0.00 C ATOM 1629 NE1 TRP A 133 9.518 2.475 0.605 1.00 0.00 N ATOM 1630 CE2 TRP A 133 8.287 2.235 1.176 1.00 0.00 C ATOM 1631 CE3 TRP A 133 6.856 3.422 2.732 1.00 0.00 C ATOM 1632 CZ2 TRP A 133 7.349 1.202 1.058 1.00 0.00 C ATOM 1633 CZ3 TRP A 133 5.904 2.389 2.618 1.00 0.00 C ATOM 1634 CH2 TRP A 133 6.159 1.272 1.800 1.00 0.00 C ATOM 0 H TRP A 133 11.741 6.258 1.963 1.00 0.00 H new ATOM 0 HA TRP A 133 10.626 5.776 4.651 1.00 0.00 H new ATOM 0 HB2 TRP A 133 8.712 5.526 3.534 1.00 0.00 H new ATOM 0 HB3 TRP A 133 9.544 6.280 2.189 1.00 0.00 H new ATOM 0 HD1 TRP A 133 11.069 4.003 0.818 1.00 0.00 H new ATOM 0 HE1 TRP A 133 9.949 1.874 -0.098 1.00 0.00 H new ATOM 0 HE3 TRP A 133 6.645 4.276 3.358 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 7.538 0.363 0.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 4.973 2.455 3.162 1.00 0.00 H new ATOM 0 HH2 TRP A 133 5.439 0.469 1.743 1.00 0.00 H new ATOM 1645 N ASP A 134 12.667 3.795 3.391 1.00 0.00 N ATOM 1646 CA ASP A 134 13.369 2.535 3.166 1.00 0.00 C ATOM 1647 C ASP A 134 13.082 1.491 4.254 1.00 0.00 C ATOM 1648 O ASP A 134 13.672 1.551 5.334 1.00 0.00 O ATOM 1649 CB ASP A 134 14.870 2.766 2.886 1.00 0.00 C ATOM 1650 CG ASP A 134 15.686 3.550 3.920 1.00 0.00 C ATOM 1651 OD1 ASP A 134 15.188 4.579 4.437 1.00 0.00 O ATOM 1652 OD2 ASP A 134 16.883 3.233 4.082 1.00 0.00 O ATOM 0 H ASP A 134 13.256 4.585 3.127 1.00 0.00 H new ATOM 0 HA ASP A 134 12.963 2.091 2.257 1.00 0.00 H new ATOM 0 HB2 ASP A 134 15.340 1.790 2.761 1.00 0.00 H new ATOM 0 HB3 ASP A 134 14.955 3.285 1.931 1.00 0.00 H new ATOM 1658 N PRO A 135 12.126 0.565 4.012 1.00 0.00 N ATOM 1659 CA PRO A 135 11.565 -0.239 5.083 1.00 0.00 C ATOM 1660 C PRO A 135 12.460 -1.446 5.402 1.00 0.00 C ATOM 1661 O PRO A 135 12.758 -1.689 6.572 1.00 0.00 O ATOM 1662 CB PRO A 135 10.174 -0.665 4.604 1.00 0.00 C ATOM 1663 CG PRO A 135 10.299 -0.683 3.083 1.00 0.00 C ATOM 1664 CD PRO A 135 11.313 0.427 2.808 1.00 0.00 C ATOM 0 HA PRO A 135 11.498 0.324 6.014 1.00 0.00 H new ATOM 0 HB2 PRO A 135 9.900 -1.645 4.994 1.00 0.00 H new ATOM 0 HB3 PRO A 135 9.406 0.035 4.934 1.00 0.00 H new ATOM 0 HG2 PRO A 135 10.649 -1.649 2.718 1.00 0.00 H new ATOM 0 HG3 PRO A 135 9.343 -0.486 2.597 1.00 0.00 H new ATOM 0 HD2 PRO A 135 11.935 0.178 1.948 1.00 0.00 H new ATOM 0 HD3 PRO A 135 10.807 1.364 2.574 1.00 0.00 H new ATOM 1672 N GLY A 136 12.887 -2.221 4.395 1.00 0.00 N ATOM 1673 CA GLY A 136 13.841 -3.307 4.589 1.00 0.00 C ATOM 1674 C GLY A 136 14.547 -3.587 3.274 1.00 0.00 C ATOM 1675 O GLY A 136 14.370 -4.654 2.692 1.00 0.00 O ATOM 0 H GLY A 136 12.579 -2.108 3.429 1.00 0.00 H new ATOM 0 HA2 GLY A 136 14.567 -3.038 5.356 1.00 0.00 H new ATOM 0 HA3 GLY A 136 13.326 -4.202 4.938 1.00 0.00 H new ATOM 1679 N ILE A 137 15.270 -2.593 2.749 1.00 0.00 N ATOM 1680 CA ILE A 137 15.851 -2.661 1.412 1.00 0.00 C ATOM 1681 C ILE A 137 17.144 -3.472 1.475 1.00 0.00 C ATOM 1682 O ILE A 137 18.252 -2.926 1.501 1.00 0.00 O ATOM 1683 CB ILE A 137 16.025 -1.263 0.783 1.00 0.00 C ATOM 1684 CG1 ILE A 137 14.685 -0.488 0.803 1.00 0.00 C ATOM 1685 CG2 ILE A 137 16.534 -1.440 -0.660 1.00 0.00 C ATOM 1686 CD1 ILE A 137 14.739 0.856 0.072 1.00 0.00 C ATOM 0 H ILE A 137 15.467 -1.721 3.241 1.00 0.00 H new ATOM 0 HA ILE A 137 15.165 -3.177 0.740 1.00 0.00 H new ATOM 0 HB ILE A 137 16.747 -0.683 1.358 1.00 0.00 H new ATOM 0 HG12 ILE A 137 13.911 -1.107 0.350 1.00 0.00 H new ATOM 0 HG13 ILE A 137 14.390 -0.317 1.838 1.00 0.00 H new ATOM 0 HG21 ILE A 137 16.664 -0.462 -1.123 1.00 0.00 H new ATOM 0 HG22 ILE A 137 17.489 -1.965 -0.647 1.00 0.00 H new ATOM 0 HG23 ILE A 137 15.810 -2.019 -1.233 1.00 0.00 H new ATOM 0 HD11 ILE A 137 13.764 1.340 0.129 1.00 0.00 H new ATOM 0 HD12 ILE A 137 15.489 1.494 0.539 1.00 0.00 H new ATOM 0 HD13 ILE A 137 15.002 0.692 -0.973 1.00 0.00 H new ATOM 1698 N ASN A 138 16.987 -4.795 1.441 1.00 0.00 N ATOM 1699 CA ASN A 138 18.050 -5.761 1.685 1.00 0.00 C ATOM 1700 C ASN A 138 18.824 -5.362 2.939 1.00 0.00 C ATOM 1701 O ASN A 138 20.027 -5.092 2.868 1.00 0.00 O ATOM 1702 CB ASN A 138 18.941 -5.958 0.443 1.00 0.00 C ATOM 1703 CG ASN A 138 18.233 -6.665 -0.699 1.00 0.00 C ATOM 1704 OD1 ASN A 138 17.316 -7.455 -0.485 1.00 0.00 O ATOM 1705 ND2 ASN A 138 18.660 -6.421 -1.927 1.00 0.00 N ATOM 0 H ASN A 138 16.089 -5.234 1.237 1.00 0.00 H new ATOM 0 HA ASN A 138 17.612 -6.742 1.872 1.00 0.00 H new ATOM 0 HB2 ASN A 138 19.291 -4.985 0.098 1.00 0.00 H new ATOM 0 HB3 ASN A 138 19.823 -6.532 0.725 1.00 0.00 H new ATOM 0 HD21 ASN A 138 18.227 -6.893 -2.721 1.00 0.00 H new ATOM 0 HD22 ASN A 138 19.423 -5.761 -2.080 1.00 0.00 H new ATOM 1712 N ALA A 139 18.120 -5.281 4.067 1.00 0.00 N ATOM 1713 CA ALA A 139 18.584 -4.715 5.321 1.00 0.00 C ATOM 1714 C ALA A 139 17.957 -5.503 6.463 1.00 0.00 C ATOM 1715 O ALA A 139 16.880 -6.110 6.246 1.00 0.00 O ATOM 1716 CB ALA A 139 18.184 -3.235 5.369 1.00 0.00 C ATOM 0 H ALA A 139 17.163 -5.628 4.128 1.00 0.00 H new ATOM 0 HA ALA A 139 19.668 -4.778 5.411 1.00 0.00 H new ATOM 0 HB1 ALA A 139 18.526 -2.796 6.306 1.00 0.00 H new ATOM 0 HB2 ALA A 139 18.642 -2.707 4.532 1.00 0.00 H new ATOM 0 HB3 ALA A 139 17.099 -3.149 5.303 1.00 0.00 H new TER 1722 ALA A 139