USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 761 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 138 THR OG1 : rot -105:sc= -0.299! USER MOD Set 1.2: A 140 SER OG : rot 147:sc= -2.03 USER MOD Set 2.1: A 128 ASN : amide:sc= -4.27 K(o=-15,f=-13!) USER MOD Set 2.2: A 131 ASN : amide:sc= -7.14! C(o=-15!,f=-23!) USER MOD Set 2.3: A 148 ASN : amide:sc= -3.7! C(o=-15!,f=-21!) USER MOD Set 3.1: A 102 THR OG1 : rot -47:sc= 0.4 USER MOD Set 3.2: A 106 ASN : amide:sc= -6.45! C(o=-6.1!,f=-10!) USER MOD Set 4.1: A 56 TYR OH : rot 72:sc= -0.88 USER MOD Set 4.2: A 118 HIS : no HE2:sc= -5.69! C(o=-6.6!,f=-14!) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0344 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -86:sc= -0.955 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -1.38 X(o=-1.4,f=-1.3) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -16:sc= 0.478 USER MOD Single : A 82 ASN : amide:sc= -1.12 K(o=-1.1,f=-1.7) USER MOD Single : A 85 SER OG : rot -150:sc= 0.0573 USER MOD Single : A 86 ASN : amide:sc= -3.43 K(o=-3.4,f=-5!) USER MOD Single : A 87 ASN : amide:sc= -0.808 X(o=-0.81,f=-0.82) USER MOD Single : A 89 MET CE :methyl -169:sc= -2.32 (180deg=-2.55) USER MOD Single : A 90 MET CE :methyl 146:sc= -3.3 (180deg=-8.24!) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HD1:sc= -3.39 K(o=-3.4,f=-5) USER MOD Single : A 96 THR OG1 : rot 75:sc= 1.02 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -139:sc= -0.449 USER MOD Single : A 107 LYS NZ :NH3+ 157:sc=-0.00197 (180deg=-0.393) USER MOD Single : A 110 TYR OH : rot 180:sc= -1.86! USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= -0.273 X(o=-0.27,f=0) USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 HIS : no HD1:sc= -1.77! X(o=-1.8!,f=-1.5) USER MOD Single : A 146 SER OG : rot -160:sc= -3.46! USER MOD Single : A 150 HIS : no HD1:sc= -12.3! C(o=-12!,f=-13!) USER MOD Single : A 151 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N PHE A 37 6.287 -10.665 6.825 1.00 0.00 N ATOM 14 CA PHE A 37 7.465 -9.973 6.319 1.00 0.00 C ATOM 15 C PHE A 37 8.742 -10.612 6.856 1.00 0.00 C ATOM 16 O PHE A 37 9.742 -9.931 7.081 1.00 0.00 O ATOM 17 CB PHE A 37 7.422 -8.494 6.708 1.00 0.00 C ATOM 18 CG PHE A 37 6.071 -7.857 6.532 1.00 0.00 C ATOM 19 CD1 PHE A 37 5.595 -6.949 7.466 1.00 0.00 C ATOM 20 CD2 PHE A 37 5.279 -8.163 5.436 1.00 0.00 C ATOM 21 CE1 PHE A 37 4.354 -6.360 7.310 1.00 0.00 C ATOM 22 CE2 PHE A 37 4.037 -7.576 5.276 1.00 0.00 C ATOM 23 CZ PHE A 37 3.574 -6.673 6.214 1.00 0.00 C ATOM 0 HA PHE A 37 7.465 -10.056 5.232 1.00 0.00 H new ATOM 0 HB2 PHE A 37 7.727 -8.393 7.749 1.00 0.00 H new ATOM 0 HB3 PHE A 37 8.151 -7.949 6.108 1.00 0.00 H new ATOM 0 HD1 PHE A 37 6.200 -6.699 8.325 1.00 0.00 H new ATOM 0 HD2 PHE A 37 5.636 -8.867 4.699 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.994 -5.655 8.045 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.429 -7.823 4.418 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.605 -6.213 6.090 1.00 0.00 H new ATOM 33 N ALA A 38 8.697 -11.924 7.064 1.00 0.00 N ATOM 34 CA ALA A 38 9.847 -12.656 7.579 1.00 0.00 C ATOM 35 C ALA A 38 10.915 -12.847 6.508 1.00 0.00 C ATOM 36 O ALA A 38 12.111 -12.840 6.802 1.00 0.00 O ATOM 37 CB ALA A 38 9.407 -14.004 8.131 1.00 0.00 C ATOM 0 H ALA A 38 7.876 -12.502 6.884 1.00 0.00 H new ATOM 0 HA ALA A 38 10.285 -12.065 8.383 1.00 0.00 H new ATOM 0 HB1 ALA A 38 10.275 -14.542 8.513 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.691 -13.850 8.939 1.00 0.00 H new ATOM 0 HB3 ALA A 38 8.939 -14.587 7.338 1.00 0.00 H new ATOM 43 N ASP A 39 10.478 -13.020 5.265 1.00 0.00 N ATOM 44 CA ASP A 39 11.401 -13.218 4.151 1.00 0.00 C ATOM 45 C ASP A 39 11.170 -12.192 3.041 1.00 0.00 C ATOM 46 O ASP A 39 11.761 -12.290 1.966 1.00 0.00 O ATOM 47 CB ASP A 39 11.247 -14.631 3.589 1.00 0.00 C ATOM 48 CG ASP A 39 12.583 -15.302 3.335 1.00 0.00 C ATOM 49 OD1 ASP A 39 13.113 -15.941 4.268 1.00 0.00 O ATOM 50 OD2 ASP A 39 13.098 -15.189 2.203 1.00 0.00 O ATOM 0 H ASP A 39 9.492 -13.027 5.003 1.00 0.00 H new ATOM 0 HA ASP A 39 12.414 -13.083 4.530 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.667 -15.235 4.287 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.682 -14.589 2.658 1.00 0.00 H new ATOM 55 N ALA A 40 10.312 -11.212 3.304 1.00 0.00 N ATOM 56 CA ALA A 40 10.012 -10.178 2.322 1.00 0.00 C ATOM 57 C ALA A 40 11.268 -9.400 1.944 1.00 0.00 C ATOM 58 O ALA A 40 12.025 -8.966 2.812 1.00 0.00 O ATOM 59 CB ALA A 40 8.949 -9.233 2.861 1.00 0.00 C ATOM 0 H ALA A 40 9.813 -11.113 4.188 1.00 0.00 H new ATOM 0 HA ALA A 40 9.631 -10.664 1.424 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.734 -8.465 2.118 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.040 -9.794 3.077 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.311 -8.762 3.775 1.00 0.00 H new ATOM 65 N GLN A 41 11.481 -9.221 0.644 1.00 0.00 N ATOM 66 CA GLN A 41 12.642 -8.488 0.158 1.00 0.00 C ATOM 67 C GLN A 41 12.548 -7.023 0.567 1.00 0.00 C ATOM 68 O GLN A 41 11.515 -6.578 1.066 1.00 0.00 O ATOM 69 CB GLN A 41 12.751 -8.605 -1.364 1.00 0.00 C ATOM 70 CG GLN A 41 14.155 -8.923 -1.851 1.00 0.00 C ATOM 71 CD GLN A 41 14.341 -8.629 -3.327 1.00 0.00 C ATOM 72 OE1 GLN A 41 14.098 -9.483 -4.179 1.00 0.00 O ATOM 73 NE2 GLN A 41 14.775 -7.412 -3.637 1.00 0.00 N ATOM 0 H GLN A 41 10.866 -9.573 -0.089 1.00 0.00 H new ATOM 0 HA GLN A 41 13.537 -8.922 0.604 1.00 0.00 H new ATOM 0 HB2 GLN A 41 12.071 -9.383 -1.710 1.00 0.00 H new ATOM 0 HB3 GLN A 41 12.422 -7.670 -1.816 1.00 0.00 H new ATOM 0 HG2 GLN A 41 14.876 -8.342 -1.275 1.00 0.00 H new ATOM 0 HG3 GLN A 41 14.371 -9.975 -1.664 1.00 0.00 H new ATOM 0 HE21 GLN A 41 14.964 -6.734 -2.898 1.00 0.00 H new ATOM 0 HE22 GLN A 41 14.919 -7.155 -4.614 1.00 0.00 H new ATOM 82 N THR A 42 13.626 -6.275 0.360 1.00 0.00 N ATOM 83 CA THR A 42 13.636 -4.864 0.721 1.00 0.00 C ATOM 84 C THR A 42 14.629 -4.071 -0.123 1.00 0.00 C ATOM 85 O THR A 42 15.561 -4.627 -0.704 1.00 0.00 O ATOM 86 CB THR A 42 13.964 -4.695 2.208 1.00 0.00 C ATOM 87 OG1 THR A 42 14.216 -5.950 2.815 1.00 0.00 O ATOM 88 CG2 THR A 42 12.858 -4.021 2.992 1.00 0.00 C ATOM 0 H THR A 42 14.494 -6.618 -0.051 1.00 0.00 H new ATOM 0 HA THR A 42 12.639 -4.470 0.524 1.00 0.00 H new ATOM 0 HB THR A 42 14.849 -4.059 2.236 1.00 0.00 H new ATOM 0 HG1 THR A 42 14.425 -5.819 3.763 1.00 0.00 H new ATOM 0 HG21 THR A 42 13.155 -3.933 4.037 1.00 0.00 H new ATOM 0 HG22 THR A 42 12.674 -3.028 2.582 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.948 -4.617 2.922 1.00 0.00 H new ATOM 96 N ARG A 43 14.417 -2.761 -0.170 1.00 0.00 N ATOM 97 CA ARG A 43 15.277 -1.855 -0.923 1.00 0.00 C ATOM 98 C ARG A 43 14.952 -0.413 -0.549 1.00 0.00 C ATOM 99 O ARG A 43 14.044 -0.165 0.242 1.00 0.00 O ATOM 100 CB ARG A 43 15.102 -2.070 -2.430 1.00 0.00 C ATOM 101 CG ARG A 43 13.800 -1.515 -2.987 1.00 0.00 C ATOM 102 CD ARG A 43 13.571 -1.958 -4.422 1.00 0.00 C ATOM 103 NE ARG A 43 13.167 -0.847 -5.280 1.00 0.00 N ATOM 104 CZ ARG A 43 13.264 -0.859 -6.607 1.00 0.00 C ATOM 105 NH1 ARG A 43 13.752 -1.922 -7.235 1.00 0.00 N ATOM 106 NH2 ARG A 43 12.873 0.195 -7.311 1.00 0.00 N ATOM 0 H ARG A 43 13.646 -2.298 0.311 1.00 0.00 H new ATOM 0 HA ARG A 43 16.317 -2.064 -0.671 1.00 0.00 H new ATOM 0 HB2 ARG A 43 15.937 -1.603 -2.953 1.00 0.00 H new ATOM 0 HB3 ARG A 43 15.150 -3.138 -2.642 1.00 0.00 H new ATOM 0 HG2 ARG A 43 12.968 -1.846 -2.366 1.00 0.00 H new ATOM 0 HG3 ARG A 43 13.819 -0.426 -2.940 1.00 0.00 H new ATOM 0 HD2 ARG A 43 14.485 -2.405 -4.814 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.803 -2.731 -4.445 1.00 0.00 H new ATOM 0 HE ARG A 43 12.788 -0.011 -4.835 1.00 0.00 H new ATOM 0 HH11 ARG A 43 14.055 -2.736 -6.700 1.00 0.00 H new ATOM 0 HH12 ARG A 43 13.824 -1.925 -8.252 1.00 0.00 H new ATOM 0 HH21 ARG A 43 12.498 1.015 -6.835 1.00 0.00 H new ATOM 0 HH22 ARG A 43 12.948 0.185 -8.328 1.00 0.00 H new ATOM 120 N LYS A 44 15.694 0.536 -1.102 1.00 0.00 N ATOM 121 CA LYS A 44 15.460 1.937 -0.795 1.00 0.00 C ATOM 122 C LYS A 44 14.496 2.584 -1.781 1.00 0.00 C ATOM 123 O LYS A 44 14.537 2.318 -2.983 1.00 0.00 O ATOM 124 CB LYS A 44 16.776 2.706 -0.767 1.00 0.00 C ATOM 125 CG LYS A 44 17.092 3.262 0.605 1.00 0.00 C ATOM 126 CD LYS A 44 18.363 4.094 0.596 1.00 0.00 C ATOM 127 CE LYS A 44 18.331 5.170 1.669 1.00 0.00 C ATOM 128 NZ LYS A 44 19.697 5.650 2.014 1.00 0.00 N ATOM 0 H LYS A 44 16.455 0.363 -1.759 1.00 0.00 H new ATOM 0 HA LYS A 44 15.000 1.978 0.192 1.00 0.00 H new ATOM 0 HB2 LYS A 44 17.585 2.048 -1.084 1.00 0.00 H new ATOM 0 HB3 LYS A 44 16.731 3.524 -1.486 1.00 0.00 H new ATOM 0 HG2 LYS A 44 16.259 3.874 0.950 1.00 0.00 H new ATOM 0 HG3 LYS A 44 17.200 2.441 1.314 1.00 0.00 H new ATOM 0 HD2 LYS A 44 19.225 3.446 0.755 1.00 0.00 H new ATOM 0 HD3 LYS A 44 18.489 4.558 -0.382 1.00 0.00 H new ATOM 0 HE2 LYS A 44 17.728 6.009 1.324 1.00 0.00 H new ATOM 0 HE3 LYS A 44 17.848 4.777 2.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 19.632 6.383 2.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 20.266 4.854 2.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 20.149 6.049 1.167 1.00 0.00 H new ATOM 142 N LEU A 45 13.632 3.441 -1.251 1.00 0.00 N ATOM 143 CA LEU A 45 12.646 4.149 -2.057 1.00 0.00 C ATOM 144 C LEU A 45 13.275 5.357 -2.746 1.00 0.00 C ATOM 145 O LEU A 45 14.083 6.070 -2.149 1.00 0.00 O ATOM 146 CB LEU A 45 11.481 4.602 -1.172 1.00 0.00 C ATOM 147 CG LEU A 45 10.221 5.064 -1.911 1.00 0.00 C ATOM 148 CD1 LEU A 45 9.922 4.159 -3.096 1.00 0.00 C ATOM 149 CD2 LEU A 45 9.036 5.100 -0.959 1.00 0.00 C ATOM 0 H LEU A 45 13.595 3.664 -0.256 1.00 0.00 H new ATOM 0 HA LEU A 45 12.275 3.470 -2.825 1.00 0.00 H new ATOM 0 HB2 LEU A 45 11.210 3.778 -0.511 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.827 5.418 -0.538 1.00 0.00 H new ATOM 0 HG LEU A 45 10.398 6.070 -2.291 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.023 4.509 -3.603 1.00 0.00 H new ATOM 0 HD12 LEU A 45 10.762 4.180 -3.791 1.00 0.00 H new ATOM 0 HD13 LEU A 45 9.767 3.139 -2.745 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.147 5.430 -1.497 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.865 4.103 -0.553 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.245 5.793 -0.144 1.00 0.00 H new ATOM 161 N THR A 46 12.900 5.587 -4.000 1.00 0.00 N ATOM 162 CA THR A 46 13.431 6.715 -4.759 1.00 0.00 C ATOM 163 C THR A 46 12.685 7.998 -4.406 1.00 0.00 C ATOM 164 O THR A 46 11.530 7.955 -3.980 1.00 0.00 O ATOM 165 CB THR A 46 13.325 6.452 -6.263 1.00 0.00 C ATOM 166 OG1 THR A 46 12.004 6.686 -6.719 1.00 0.00 O ATOM 167 CG2 THR A 46 13.711 5.042 -6.662 1.00 0.00 C ATOM 0 H THR A 46 12.233 5.010 -4.511 1.00 0.00 H new ATOM 0 HA THR A 46 14.482 6.833 -4.495 1.00 0.00 H new ATOM 0 HB THR A 46 14.032 7.141 -6.725 1.00 0.00 H new ATOM 0 HG1 THR A 46 11.465 5.878 -6.590 1.00 0.00 H new ATOM 0 HG21 THR A 46 13.611 4.929 -7.742 1.00 0.00 H new ATOM 0 HG22 THR A 46 14.744 4.851 -6.371 1.00 0.00 H new ATOM 0 HG23 THR A 46 13.056 4.330 -6.161 1.00 0.00 H new ATOM 175 N PRO A 47 13.332 9.161 -4.582 1.00 0.00 N ATOM 176 CA PRO A 47 12.716 10.457 -4.283 1.00 0.00 C ATOM 177 C PRO A 47 11.453 10.686 -5.105 1.00 0.00 C ATOM 178 O PRO A 47 10.481 11.265 -4.619 1.00 0.00 O ATOM 179 CB PRO A 47 13.798 11.478 -4.659 1.00 0.00 C ATOM 180 CG PRO A 47 14.741 10.740 -5.548 1.00 0.00 C ATOM 181 CD PRO A 47 14.706 9.310 -5.090 1.00 0.00 C ATOM 0 HA PRO A 47 12.403 10.529 -3.241 1.00 0.00 H new ATOM 0 HB2 PRO A 47 13.367 12.338 -5.171 1.00 0.00 H new ATOM 0 HB3 PRO A 47 14.307 11.856 -3.773 1.00 0.00 H new ATOM 0 HG2 PRO A 47 14.439 10.823 -6.592 1.00 0.00 H new ATOM 0 HG3 PRO A 47 15.749 11.149 -5.474 1.00 0.00 H new ATOM 0 HD2 PRO A 47 14.912 8.619 -5.907 1.00 0.00 H new ATOM 0 HD3 PRO A 47 15.447 9.116 -4.314 1.00 0.00 H new ATOM 189 N GLU A 48 11.472 10.222 -6.349 1.00 0.00 N ATOM 190 CA GLU A 48 10.325 10.368 -7.235 1.00 0.00 C ATOM 191 C GLU A 48 9.153 9.536 -6.729 1.00 0.00 C ATOM 192 O GLU A 48 8.012 9.999 -6.706 1.00 0.00 O ATOM 193 CB GLU A 48 10.693 9.948 -8.659 1.00 0.00 C ATOM 194 CG GLU A 48 11.220 8.527 -8.759 1.00 0.00 C ATOM 195 CD GLU A 48 11.621 8.151 -10.173 1.00 0.00 C ATOM 196 OE1 GLU A 48 12.668 8.644 -10.643 1.00 0.00 O ATOM 197 OE2 GLU A 48 10.889 7.363 -10.809 1.00 0.00 O ATOM 0 H GLU A 48 12.269 9.742 -6.766 1.00 0.00 H new ATOM 0 HA GLU A 48 10.030 11.417 -7.246 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.814 10.046 -9.296 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.446 10.634 -9.048 1.00 0.00 H new ATOM 0 HG2 GLU A 48 12.081 8.416 -8.100 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.456 7.834 -8.406 1.00 0.00 H new ATOM 204 N GLU A 49 9.444 8.305 -6.318 1.00 0.00 N ATOM 205 CA GLU A 49 8.413 7.409 -5.804 1.00 0.00 C ATOM 206 C GLU A 49 7.799 7.971 -4.527 1.00 0.00 C ATOM 207 O GLU A 49 6.604 7.814 -4.279 1.00 0.00 O ATOM 208 CB GLU A 49 9.001 6.024 -5.529 1.00 0.00 C ATOM 209 CG GLU A 49 9.120 5.152 -6.769 1.00 0.00 C ATOM 210 CD GLU A 49 10.025 3.955 -6.552 1.00 0.00 C ATOM 211 OE1 GLU A 49 11.140 4.141 -6.019 1.00 0.00 O ATOM 212 OE2 GLU A 49 9.619 2.830 -6.914 1.00 0.00 O ATOM 0 H GLU A 49 10.383 7.906 -6.331 1.00 0.00 H new ATOM 0 HA GLU A 49 7.632 7.321 -6.559 1.00 0.00 H new ATOM 0 HB2 GLU A 49 9.988 6.141 -5.082 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.377 5.513 -4.795 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.129 4.806 -7.062 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.506 5.750 -7.594 1.00 0.00 H new ATOM 219 N ARG A 50 8.626 8.625 -3.719 1.00 0.00 N ATOM 220 CA ARG A 50 8.168 9.211 -2.465 1.00 0.00 C ATOM 221 C ARG A 50 7.239 10.392 -2.723 1.00 0.00 C ATOM 222 O ARG A 50 6.214 10.548 -2.059 1.00 0.00 O ATOM 223 CB ARG A 50 9.363 9.658 -1.620 1.00 0.00 C ATOM 224 CG ARG A 50 9.052 9.773 -0.136 1.00 0.00 C ATOM 225 CD ARG A 50 9.840 8.762 0.686 1.00 0.00 C ATOM 226 NE ARG A 50 11.281 8.861 0.451 1.00 0.00 N ATOM 227 CZ ARG A 50 12.028 9.889 0.847 1.00 0.00 C ATOM 228 NH1 ARG A 50 11.485 10.898 1.515 1.00 0.00 N ATOM 229 NH2 ARG A 50 13.328 9.903 0.580 1.00 0.00 N ATOM 0 H ARG A 50 9.618 8.763 -3.910 1.00 0.00 H new ATOM 0 HA ARG A 50 7.612 8.449 -1.918 1.00 0.00 H new ATOM 0 HB2 ARG A 50 10.180 8.949 -1.757 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.714 10.623 -1.985 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.285 10.781 0.207 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.985 9.620 0.025 1.00 0.00 H new ATOM 0 HD2 ARG A 50 9.635 8.919 1.745 1.00 0.00 H new ATOM 0 HD3 ARG A 50 9.502 7.755 0.441 1.00 0.00 H new ATOM 0 HE ARG A 50 11.740 8.097 -0.045 1.00 0.00 H new ATOM 0 HH11 ARG A 50 10.488 10.890 1.729 1.00 0.00 H new ATOM 0 HH12 ARG A 50 12.065 11.682 1.815 1.00 0.00 H new ATOM 0 HH21 ARG A 50 13.753 9.127 0.072 1.00 0.00 H new ATOM 0 HH22 ARG A 50 13.902 10.690 0.883 1.00 0.00 H new ATOM 243 N SER A 51 7.607 11.220 -3.692 1.00 0.00 N ATOM 244 CA SER A 51 6.812 12.391 -4.044 1.00 0.00 C ATOM 245 C SER A 51 5.451 11.979 -4.595 1.00 0.00 C ATOM 246 O SER A 51 4.433 12.606 -4.299 1.00 0.00 O ATOM 247 CB SER A 51 7.554 13.247 -5.071 1.00 0.00 C ATOM 248 OG SER A 51 7.336 14.628 -4.837 1.00 0.00 O ATOM 0 H SER A 51 8.453 11.103 -4.250 1.00 0.00 H new ATOM 0 HA SER A 51 6.654 12.978 -3.139 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.621 13.031 -5.026 1.00 0.00 H new ATOM 0 HB3 SER A 51 7.219 12.988 -6.075 1.00 0.00 H new ATOM 0 HG SER A 51 7.822 15.154 -5.506 1.00 0.00 H new ATOM 254 N ALA A 52 5.441 10.921 -5.397 1.00 0.00 N ATOM 255 CA ALA A 52 4.203 10.427 -5.988 1.00 0.00 C ATOM 256 C ALA A 52 3.266 9.902 -4.913 1.00 0.00 C ATOM 257 O ALA A 52 2.111 10.316 -4.822 1.00 0.00 O ATOM 258 CB ALA A 52 4.505 9.340 -7.003 1.00 0.00 C ATOM 0 H ALA A 52 6.273 10.390 -5.653 1.00 0.00 H new ATOM 0 HA ALA A 52 3.709 11.255 -6.496 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.573 8.979 -7.438 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.140 9.744 -7.791 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.019 8.515 -6.510 1.00 0.00 H new ATOM 264 N VAL A 53 3.779 8.997 -4.091 1.00 0.00 N ATOM 265 CA VAL A 53 3.002 8.420 -3.003 1.00 0.00 C ATOM 266 C VAL A 53 2.382 9.520 -2.153 1.00 0.00 C ATOM 267 O VAL A 53 1.203 9.465 -1.812 1.00 0.00 O ATOM 268 CB VAL A 53 3.876 7.510 -2.117 1.00 0.00 C ATOM 269 CG1 VAL A 53 3.096 7.015 -0.905 1.00 0.00 C ATOM 270 CG2 VAL A 53 4.407 6.340 -2.928 1.00 0.00 C ATOM 0 H VAL A 53 4.734 8.645 -4.158 1.00 0.00 H new ATOM 0 HA VAL A 53 2.209 7.816 -3.444 1.00 0.00 H new ATOM 0 HB VAL A 53 4.721 8.095 -1.754 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.736 6.375 -0.297 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.766 7.868 -0.311 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.227 6.447 -1.238 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.023 5.705 -2.291 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.571 5.760 -3.320 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.008 6.715 -3.756 1.00 0.00 H new ATOM 280 N GLU A 54 3.183 10.529 -1.834 1.00 0.00 N ATOM 281 CA GLU A 54 2.706 11.653 -1.041 1.00 0.00 C ATOM 282 C GLU A 54 1.563 12.355 -1.764 1.00 0.00 C ATOM 283 O GLU A 54 0.569 12.744 -1.152 1.00 0.00 O ATOM 284 CB GLU A 54 3.847 12.638 -0.769 1.00 0.00 C ATOM 285 CG GLU A 54 4.215 12.751 0.702 1.00 0.00 C ATOM 286 CD GLU A 54 4.773 14.114 1.062 1.00 0.00 C ATOM 287 OE1 GLU A 54 4.711 14.486 2.253 1.00 0.00 O ATOM 288 OE2 GLU A 54 5.273 14.810 0.154 1.00 0.00 O ATOM 0 H GLU A 54 4.163 10.591 -2.112 1.00 0.00 H new ATOM 0 HA GLU A 54 2.340 11.276 -0.086 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.727 12.327 -1.332 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.563 13.622 -1.141 1.00 0.00 H new ATOM 0 HG2 GLU A 54 3.332 12.552 1.310 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.950 11.985 0.948 1.00 0.00 H new ATOM 295 N ASN A 55 1.711 12.498 -3.077 1.00 0.00 N ATOM 296 CA ASN A 55 0.688 13.136 -3.897 1.00 0.00 C ATOM 297 C ASN A 55 -0.556 12.256 -3.974 1.00 0.00 C ATOM 298 O ASN A 55 -1.677 12.752 -4.082 1.00 0.00 O ATOM 299 CB ASN A 55 1.228 13.403 -5.305 1.00 0.00 C ATOM 300 CG ASN A 55 2.408 14.357 -5.300 1.00 0.00 C ATOM 301 OD1 ASN A 55 2.454 15.302 -4.514 1.00 0.00 O ATOM 302 ND2 ASN A 55 3.369 14.111 -6.182 1.00 0.00 N ATOM 0 H ASN A 55 2.530 12.181 -3.596 1.00 0.00 H new ATOM 0 HA ASN A 55 0.418 14.086 -3.436 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.529 12.460 -5.761 1.00 0.00 H new ATOM 0 HB3 ASN A 55 0.432 13.817 -5.924 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.188 14.718 -6.227 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.289 13.315 -6.815 1.00 0.00 H new ATOM 309 N TYR A 56 -0.342 10.945 -3.911 1.00 0.00 N ATOM 310 CA TYR A 56 -1.434 9.981 -3.965 1.00 0.00 C ATOM 311 C TYR A 56 -2.218 9.989 -2.652 1.00 0.00 C ATOM 312 O TYR A 56 -3.447 10.063 -2.649 1.00 0.00 O ATOM 313 CB TYR A 56 -0.871 8.581 -4.260 1.00 0.00 C ATOM 314 CG TYR A 56 -1.692 7.441 -3.697 1.00 0.00 C ATOM 315 CD1 TYR A 56 -1.168 6.599 -2.723 1.00 0.00 C ATOM 316 CD2 TYR A 56 -2.988 7.210 -4.136 1.00 0.00 C ATOM 317 CE1 TYR A 56 -1.913 5.560 -2.203 1.00 0.00 C ATOM 318 CE2 TYR A 56 -3.740 6.171 -3.622 1.00 0.00 C ATOM 319 CZ TYR A 56 -3.198 5.350 -2.656 1.00 0.00 C ATOM 320 OH TYR A 56 -3.942 4.318 -2.138 1.00 0.00 O ATOM 0 H TYR A 56 0.583 10.525 -3.822 1.00 0.00 H new ATOM 0 HA TYR A 56 -2.120 10.259 -4.766 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -0.792 8.456 -5.340 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.140 8.518 -3.857 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.161 6.761 -2.367 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -3.416 7.853 -4.891 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -1.492 4.915 -1.446 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -4.747 6.003 -3.975 1.00 0.00 H new ATOM 0 HH TYR A 56 -4.206 4.534 -1.219 1.00 0.00 H new ATOM 330 N LEU A 57 -1.493 9.921 -1.541 1.00 0.00 N ATOM 331 CA LEU A 57 -2.111 9.926 -0.220 1.00 0.00 C ATOM 332 C LEU A 57 -2.724 11.291 0.077 1.00 0.00 C ATOM 333 O LEU A 57 -3.750 11.391 0.749 1.00 0.00 O ATOM 334 CB LEU A 57 -1.070 9.584 0.845 1.00 0.00 C ATOM 335 CG LEU A 57 -0.194 8.374 0.520 1.00 0.00 C ATOM 336 CD1 LEU A 57 1.223 8.583 1.034 1.00 0.00 C ATOM 337 CD2 LEU A 57 -0.800 7.116 1.113 1.00 0.00 C ATOM 0 H LEU A 57 -0.475 9.862 -1.529 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.901 9.176 -0.204 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.426 10.451 0.996 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.583 9.400 1.789 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.146 8.259 -0.563 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.830 7.710 0.792 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.654 9.467 0.563 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.201 8.722 2.115 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.168 6.261 0.875 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.874 7.223 2.195 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.794 6.959 0.695 1.00 0.00 H new ATOM 349 N GLU A 58 -2.084 12.340 -0.431 1.00 0.00 N ATOM 350 CA GLU A 58 -2.564 13.702 -0.225 1.00 0.00 C ATOM 351 C GLU A 58 -3.889 13.913 -0.942 1.00 0.00 C ATOM 352 O GLU A 58 -4.855 14.403 -0.357 1.00 0.00 O ATOM 353 CB GLU A 58 -1.531 14.714 -0.724 1.00 0.00 C ATOM 354 CG GLU A 58 -1.863 16.152 -0.360 1.00 0.00 C ATOM 355 CD GLU A 58 -0.662 16.911 0.173 1.00 0.00 C ATOM 356 OE1 GLU A 58 -0.810 17.611 1.196 1.00 0.00 O ATOM 357 OE2 GLU A 58 0.424 16.804 -0.432 1.00 0.00 O ATOM 0 H GLU A 58 -1.232 12.273 -0.988 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.716 13.854 0.844 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.555 14.459 -0.310 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.448 14.632 -1.808 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.251 16.665 -1.240 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.655 16.160 0.389 1.00 0.00 H new ATOM 364 N SER A 59 -3.930 13.523 -2.209 1.00 0.00 N ATOM 365 CA SER A 59 -5.144 13.652 -3.006 1.00 0.00 C ATOM 366 C SER A 59 -6.229 12.738 -2.451 1.00 0.00 C ATOM 367 O SER A 59 -7.419 13.044 -2.531 1.00 0.00 O ATOM 368 CB SER A 59 -4.862 13.305 -4.469 1.00 0.00 C ATOM 369 OG SER A 59 -4.570 14.469 -5.223 1.00 0.00 O ATOM 0 H SER A 59 -3.139 13.115 -2.707 1.00 0.00 H new ATOM 0 HA SER A 59 -5.488 14.685 -2.955 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.023 12.611 -4.526 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.726 12.797 -4.898 1.00 0.00 H new ATOM 0 HG SER A 59 -4.392 14.220 -6.154 1.00 0.00 H new ATOM 623 N SER A 78 -5.216 8.003 6.381 1.00 0.00 N ATOM 624 CA SER A 78 -4.000 8.475 5.729 1.00 0.00 C ATOM 625 C SER A 78 -2.785 8.243 6.621 1.00 0.00 C ATOM 626 O SER A 78 -2.642 8.869 7.671 1.00 0.00 O ATOM 627 CB SER A 78 -4.122 9.959 5.383 1.00 0.00 C ATOM 628 OG SER A 78 -4.909 10.644 6.342 1.00 0.00 O ATOM 0 HA SER A 78 -3.866 7.909 4.807 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.130 10.407 5.336 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.569 10.070 4.395 1.00 0.00 H new ATOM 0 HG SER A 78 -5.412 9.995 6.876 1.00 0.00 H new ATOM 634 N LEU A 79 -1.919 7.332 6.196 1.00 0.00 N ATOM 635 CA LEU A 79 -0.716 7.003 6.957 1.00 0.00 C ATOM 636 C LEU A 79 0.202 8.213 7.101 1.00 0.00 C ATOM 637 O LEU A 79 0.116 9.171 6.333 1.00 0.00 O ATOM 638 CB LEU A 79 0.056 5.843 6.305 1.00 0.00 C ATOM 639 CG LEU A 79 -0.038 5.718 4.778 1.00 0.00 C ATOM 640 CD1 LEU A 79 -1.293 4.957 4.376 1.00 0.00 C ATOM 641 CD2 LEU A 79 0.011 7.086 4.107 1.00 0.00 C ATOM 0 H LEU A 79 -2.025 6.806 5.328 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.043 6.694 7.950 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.108 5.942 6.573 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.298 4.910 6.744 1.00 0.00 H new ATOM 0 HG LEU A 79 0.827 5.151 4.434 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.340 4.880 3.290 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.267 3.957 4.810 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.173 5.488 4.740 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.058 6.964 3.026 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.824 7.693 4.457 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.950 7.581 4.357 1.00 0.00 H new ATOM 653 N ALA A 80 1.092 8.151 8.087 1.00 0.00 N ATOM 654 CA ALA A 80 2.045 9.226 8.330 1.00 0.00 C ATOM 655 C ALA A 80 3.431 8.805 7.863 1.00 0.00 C ATOM 656 O ALA A 80 3.916 7.733 8.222 1.00 0.00 O ATOM 657 CB ALA A 80 2.063 9.598 9.807 1.00 0.00 C ATOM 0 H ALA A 80 1.172 7.365 8.732 1.00 0.00 H new ATOM 0 HA ALA A 80 1.739 10.105 7.764 1.00 0.00 H new ATOM 0 HB1 ALA A 80 2.780 10.402 9.971 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.070 9.930 10.111 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.352 8.729 10.398 1.00 0.00 H new ATOM 663 N LEU A 81 4.060 9.638 7.046 1.00 0.00 N ATOM 664 CA LEU A 81 5.380 9.326 6.515 1.00 0.00 C ATOM 665 C LEU A 81 6.440 9.287 7.613 1.00 0.00 C ATOM 666 O LEU A 81 6.433 10.102 8.535 1.00 0.00 O ATOM 667 CB LEU A 81 5.776 10.343 5.445 1.00 0.00 C ATOM 668 CG LEU A 81 4.721 10.589 4.364 1.00 0.00 C ATOM 669 CD1 LEU A 81 4.757 12.039 3.904 1.00 0.00 C ATOM 670 CD2 LEU A 81 4.935 9.648 3.189 1.00 0.00 C ATOM 0 H LEU A 81 3.679 10.532 6.737 1.00 0.00 H new ATOM 0 HA LEU A 81 5.325 8.333 6.069 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.003 11.291 5.933 1.00 0.00 H new ATOM 0 HB3 LEU A 81 6.694 10.004 4.965 1.00 0.00 H new ATOM 0 HG LEU A 81 3.737 10.389 4.789 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.000 12.196 3.135 1.00 0.00 H new ATOM 0 HD12 LEU A 81 4.555 12.695 4.751 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.742 12.267 3.496 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.176 9.836 2.429 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.924 9.816 2.763 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.858 8.616 3.531 1.00 0.00 H new ATOM 682 N ASN A 82 7.353 8.328 7.491 1.00 0.00 N ATOM 683 CA ASN A 82 8.437 8.161 8.452 1.00 0.00 C ATOM 684 C ASN A 82 9.734 7.807 7.729 1.00 0.00 C ATOM 685 O ASN A 82 9.763 7.724 6.501 1.00 0.00 O ATOM 686 CB ASN A 82 8.090 7.068 9.465 1.00 0.00 C ATOM 687 CG ASN A 82 7.238 7.587 10.606 1.00 0.00 C ATOM 688 OD1 ASN A 82 6.798 8.736 10.596 1.00 0.00 O ATOM 689 ND2 ASN A 82 7.002 6.738 11.599 1.00 0.00 N ATOM 0 H ASN A 82 7.362 7.650 6.729 1.00 0.00 H new ATOM 0 HA ASN A 82 8.573 9.102 8.985 1.00 0.00 H new ATOM 0 HB2 ASN A 82 7.561 6.261 8.958 1.00 0.00 H new ATOM 0 HB3 ASN A 82 9.010 6.643 9.866 1.00 0.00 H new ATOM 0 HD21 ASN A 82 6.435 7.030 12.395 1.00 0.00 H new ATOM 0 HD22 ASN A 82 7.387 5.794 11.565 1.00 0.00 H new ATOM 696 N ALA A 83 10.802 7.598 8.490 1.00 0.00 N ATOM 697 CA ALA A 83 12.092 7.255 7.902 1.00 0.00 C ATOM 698 C ALA A 83 12.007 5.952 7.116 1.00 0.00 C ATOM 699 O ALA A 83 12.708 5.771 6.122 1.00 0.00 O ATOM 700 CB ALA A 83 13.164 7.157 8.975 1.00 0.00 C ATOM 0 H ALA A 83 10.801 7.659 9.508 1.00 0.00 H new ATOM 0 HA ALA A 83 12.366 8.052 7.211 1.00 0.00 H new ATOM 0 HB1 ALA A 83 14.118 6.900 8.514 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.255 8.115 9.487 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.889 6.385 9.694 1.00 0.00 H new ATOM 706 N GLU A 84 11.136 5.047 7.558 1.00 0.00 N ATOM 707 CA GLU A 84 10.961 3.772 6.878 1.00 0.00 C ATOM 708 C GLU A 84 10.434 3.996 5.465 1.00 0.00 C ATOM 709 O GLU A 84 10.613 3.154 4.586 1.00 0.00 O ATOM 710 CB GLU A 84 10.006 2.873 7.664 1.00 0.00 C ATOM 711 CG GLU A 84 10.604 1.523 8.030 1.00 0.00 C ATOM 712 CD GLU A 84 10.049 0.389 7.190 1.00 0.00 C ATOM 713 OE1 GLU A 84 9.405 0.674 6.158 1.00 0.00 O ATOM 714 OE2 GLU A 84 10.257 -0.784 7.565 1.00 0.00 O ATOM 0 H GLU A 84 10.545 5.175 8.379 1.00 0.00 H new ATOM 0 HA GLU A 84 11.930 3.276 6.816 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.705 3.387 8.577 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.103 2.713 7.075 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.686 1.564 7.907 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.410 1.318 9.083 1.00 0.00 H new ATOM 721 N SER A 85 9.795 5.146 5.253 1.00 0.00 N ATOM 722 CA SER A 85 9.247 5.498 3.946 1.00 0.00 C ATOM 723 C SER A 85 10.295 5.329 2.848 1.00 0.00 C ATOM 724 O SER A 85 9.958 5.163 1.675 1.00 0.00 O ATOM 725 CB SER A 85 8.739 6.940 3.959 1.00 0.00 C ATOM 726 OG SER A 85 7.834 7.154 5.029 1.00 0.00 O ATOM 0 H SER A 85 9.644 5.852 5.974 1.00 0.00 H new ATOM 0 HA SER A 85 8.416 4.824 3.736 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.582 7.625 4.050 1.00 0.00 H new ATOM 0 HB3 SER A 85 8.247 7.164 3.012 1.00 0.00 H new ATOM 0 HG SER A 85 7.187 7.845 4.777 1.00 0.00 H new ATOM 732 N ASN A 86 11.567 5.379 3.236 1.00 0.00 N ATOM 733 CA ASN A 86 12.662 5.238 2.285 1.00 0.00 C ATOM 734 C ASN A 86 13.085 3.780 2.130 1.00 0.00 C ATOM 735 O ASN A 86 14.121 3.491 1.532 1.00 0.00 O ATOM 736 CB ASN A 86 13.863 6.073 2.731 1.00 0.00 C ATOM 737 CG ASN A 86 13.458 7.402 3.339 1.00 0.00 C ATOM 738 OD1 ASN A 86 12.689 7.454 4.298 1.00 0.00 O ATOM 739 ND2 ASN A 86 13.978 8.484 2.778 1.00 0.00 N ATOM 0 H ASN A 86 11.863 5.516 4.202 1.00 0.00 H new ATOM 0 HA ASN A 86 12.305 5.596 1.319 1.00 0.00 H new ATOM 0 HB2 ASN A 86 14.444 5.507 3.459 1.00 0.00 H new ATOM 0 HB3 ASN A 86 14.513 6.253 1.875 1.00 0.00 H new ATOM 0 HD21 ASN A 86 13.745 9.409 3.140 1.00 0.00 H new ATOM 0 HD22 ASN A 86 14.612 8.392 1.984 1.00 0.00 H new ATOM 746 N ASN A 87 12.286 2.861 2.667 1.00 0.00 N ATOM 747 CA ASN A 87 12.599 1.441 2.575 1.00 0.00 C ATOM 748 C ASN A 87 11.397 0.649 2.075 1.00 0.00 C ATOM 749 O ASN A 87 10.432 0.439 2.807 1.00 0.00 O ATOM 750 CB ASN A 87 13.037 0.902 3.938 1.00 0.00 C ATOM 751 CG ASN A 87 14.011 1.825 4.645 1.00 0.00 C ATOM 752 OD1 ASN A 87 14.879 2.432 4.016 1.00 0.00 O ATOM 753 ND2 ASN A 87 13.872 1.932 5.961 1.00 0.00 N ATOM 0 H ASN A 87 11.423 3.074 3.167 1.00 0.00 H new ATOM 0 HA ASN A 87 13.416 1.324 1.862 1.00 0.00 H new ATOM 0 HB2 ASN A 87 12.158 0.757 4.567 1.00 0.00 H new ATOM 0 HB3 ASN A 87 13.500 -0.076 3.806 1.00 0.00 H new ATOM 0 HD21 ASN A 87 14.499 2.536 6.493 1.00 0.00 H new ATOM 0 HD22 ASN A 87 13.138 1.410 6.440 1.00 0.00 H new ATOM 760 N VAL A 88 11.466 0.205 0.828 1.00 0.00 N ATOM 761 CA VAL A 88 10.381 -0.571 0.234 1.00 0.00 C ATOM 762 C VAL A 88 10.495 -2.049 0.602 1.00 0.00 C ATOM 763 O VAL A 88 11.586 -2.613 0.613 1.00 0.00 O ATOM 764 CB VAL A 88 10.361 -0.432 -1.302 1.00 0.00 C ATOM 765 CG1 VAL A 88 9.200 -1.212 -1.899 1.00 0.00 C ATOM 766 CG2 VAL A 88 10.284 1.033 -1.701 1.00 0.00 C ATOM 0 H VAL A 88 12.259 0.367 0.207 1.00 0.00 H new ATOM 0 HA VAL A 88 9.450 -0.171 0.637 1.00 0.00 H new ATOM 0 HB VAL A 88 11.288 -0.849 -1.696 1.00 0.00 H new ATOM 0 HG11 VAL A 88 9.205 -1.100 -2.983 1.00 0.00 H new ATOM 0 HG12 VAL A 88 9.300 -2.267 -1.643 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.261 -0.829 -1.499 1.00 0.00 H new ATOM 0 HG21 VAL A 88 10.271 1.114 -2.788 1.00 0.00 H new ATOM 0 HG22 VAL A 88 9.374 1.474 -1.293 1.00 0.00 H new ATOM 0 HG23 VAL A 88 11.152 1.563 -1.308 1.00 0.00 H new ATOM 776 N MET A 89 9.353 -2.666 0.899 1.00 0.00 N ATOM 777 CA MET A 89 9.311 -4.081 1.264 1.00 0.00 C ATOM 778 C MET A 89 8.563 -4.883 0.201 1.00 0.00 C ATOM 779 O MET A 89 7.437 -4.548 -0.159 1.00 0.00 O ATOM 780 CB MET A 89 8.638 -4.260 2.630 1.00 0.00 C ATOM 781 CG MET A 89 9.612 -4.570 3.754 1.00 0.00 C ATOM 782 SD MET A 89 8.972 -5.791 4.913 1.00 0.00 S ATOM 783 CE MET A 89 10.378 -6.890 5.058 1.00 0.00 C ATOM 0 H MET A 89 8.442 -2.207 0.894 1.00 0.00 H new ATOM 0 HA MET A 89 10.334 -4.452 1.326 1.00 0.00 H new ATOM 0 HB2 MET A 89 8.089 -3.351 2.877 1.00 0.00 H new ATOM 0 HB3 MET A 89 7.907 -5.065 2.562 1.00 0.00 H new ATOM 0 HG2 MET A 89 10.547 -4.934 3.329 1.00 0.00 H new ATOM 0 HG3 MET A 89 9.844 -3.651 4.292 1.00 0.00 H new ATOM 0 HE1 MET A 89 10.078 -7.797 5.583 1.00 0.00 H new ATOM 0 HE2 MET A 89 10.741 -7.149 4.064 1.00 0.00 H new ATOM 0 HE3 MET A 89 11.172 -6.394 5.616 1.00 0.00 H new ATOM 793 N MET A 90 9.198 -5.936 -0.303 1.00 0.00 N ATOM 794 CA MET A 90 8.589 -6.775 -1.332 1.00 0.00 C ATOM 795 C MET A 90 8.196 -8.138 -0.771 1.00 0.00 C ATOM 796 O MET A 90 8.995 -8.801 -0.111 1.00 0.00 O ATOM 797 CB MET A 90 9.556 -6.956 -2.503 1.00 0.00 C ATOM 798 CG MET A 90 9.715 -5.708 -3.356 1.00 0.00 C ATOM 799 SD MET A 90 11.421 -5.134 -3.447 1.00 0.00 S ATOM 800 CE MET A 90 11.361 -3.725 -2.343 1.00 0.00 C ATOM 0 H MET A 90 10.132 -6.229 -0.017 1.00 0.00 H new ATOM 0 HA MET A 90 7.686 -6.276 -1.682 1.00 0.00 H new ATOM 0 HB2 MET A 90 10.532 -7.249 -2.116 1.00 0.00 H new ATOM 0 HB3 MET A 90 9.204 -7.774 -3.132 1.00 0.00 H new ATOM 0 HG2 MET A 90 9.352 -5.914 -4.363 1.00 0.00 H new ATOM 0 HG3 MET A 90 9.091 -4.913 -2.948 1.00 0.00 H new ATOM 0 HE1 MET A 90 12.313 -3.631 -1.821 1.00 0.00 H new ATOM 0 HE2 MET A 90 11.172 -2.819 -2.919 1.00 0.00 H new ATOM 0 HE3 MET A 90 10.561 -3.866 -1.616 1.00 0.00 H new ATOM 810 N LEU A 91 6.959 -8.551 -1.034 1.00 0.00 N ATOM 811 CA LEU A 91 6.469 -9.837 -0.547 1.00 0.00 C ATOM 812 C LEU A 91 5.284 -10.338 -1.358 1.00 0.00 C ATOM 813 O LEU A 91 4.450 -9.554 -1.807 1.00 0.00 O ATOM 814 CB LEU A 91 6.029 -9.720 0.915 1.00 0.00 C ATOM 815 CG LEU A 91 4.917 -8.698 1.166 1.00 0.00 C ATOM 816 CD1 LEU A 91 3.771 -9.328 1.941 1.00 0.00 C ATOM 817 CD2 LEU A 91 5.459 -7.485 1.907 1.00 0.00 C ATOM 0 H LEU A 91 6.281 -8.017 -1.578 1.00 0.00 H new ATOM 0 HA LEU A 91 7.292 -10.544 -0.646 1.00 0.00 H new ATOM 0 HB2 LEU A 91 5.690 -10.698 1.258 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.894 -9.452 1.521 1.00 0.00 H new ATOM 0 HG LEU A 91 4.536 -8.368 0.200 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.992 -8.584 2.108 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.360 -10.161 1.370 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.137 -9.691 2.901 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.653 -6.771 2.075 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.872 -7.799 2.866 1.00 0.00 H new ATOM 0 HD23 LEU A 91 6.242 -7.015 1.312 1.00 0.00 H new ATOM 829 N THR A 92 5.182 -11.654 -1.484 1.00 0.00 N ATOM 830 CA THR A 92 4.056 -12.259 -2.171 1.00 0.00 C ATOM 831 C THR A 92 3.001 -12.553 -1.118 1.00 0.00 C ATOM 832 O THR A 92 3.226 -13.363 -0.220 1.00 0.00 O ATOM 833 CB THR A 92 4.476 -13.544 -2.890 1.00 0.00 C ATOM 834 OG1 THR A 92 3.391 -14.085 -3.622 1.00 0.00 O ATOM 835 CG2 THR A 92 4.982 -14.620 -1.954 1.00 0.00 C ATOM 0 H THR A 92 5.864 -12.319 -1.120 1.00 0.00 H new ATOM 0 HA THR A 92 3.667 -11.585 -2.934 1.00 0.00 H new ATOM 0 HB THR A 92 5.292 -13.251 -3.550 1.00 0.00 H new ATOM 0 HG1 THR A 92 3.679 -14.905 -4.076 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.262 -15.502 -2.531 1.00 0.00 H new ATOM 0 HG22 THR A 92 5.852 -14.250 -1.411 1.00 0.00 H new ATOM 0 HG23 THR A 92 4.197 -14.884 -1.245 1.00 0.00 H new ATOM 843 N HIS A 93 1.875 -11.857 -1.186 1.00 0.00 N ATOM 844 CA HIS A 93 0.842 -12.032 -0.177 1.00 0.00 C ATOM 845 C HIS A 93 -0.523 -11.559 -0.665 1.00 0.00 C ATOM 846 O HIS A 93 -0.623 -10.702 -1.541 1.00 0.00 O ATOM 847 CB HIS A 93 1.253 -11.241 1.068 1.00 0.00 C ATOM 848 CG HIS A 93 1.072 -11.977 2.356 1.00 0.00 C ATOM 849 ND1 HIS A 93 -0.162 -12.335 2.857 1.00 0.00 N ATOM 850 CD2 HIS A 93 1.983 -12.406 3.260 1.00 0.00 C ATOM 851 CE1 HIS A 93 -0.002 -12.951 4.013 1.00 0.00 C ATOM 852 NE2 HIS A 93 1.290 -13.010 4.281 1.00 0.00 N ATOM 0 H HIS A 93 1.656 -11.178 -1.915 1.00 0.00 H new ATOM 0 HA HIS A 93 0.748 -13.094 0.048 1.00 0.00 H new ATOM 0 HB2 HIS A 93 2.300 -10.954 0.972 1.00 0.00 H new ATOM 0 HB3 HIS A 93 0.672 -10.319 1.106 1.00 0.00 H new ATOM 0 HD2 HIS A 93 3.055 -12.294 3.192 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -0.794 -13.341 4.635 1.00 0.00 H new ATOM 0 HE2 HIS A 93 1.705 -13.435 5.110 1.00 0.00 H new ATOM 861 N ALA A 94 -1.572 -12.120 -0.071 1.00 0.00 N ATOM 862 CA ALA A 94 -2.937 -11.754 -0.419 1.00 0.00 C ATOM 863 C ALA A 94 -3.388 -10.552 0.398 1.00 0.00 C ATOM 864 O ALA A 94 -3.303 -10.559 1.627 1.00 0.00 O ATOM 865 CB ALA A 94 -3.875 -12.930 -0.189 1.00 0.00 C ATOM 0 H ALA A 94 -1.500 -12.832 0.656 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.966 -11.487 -1.475 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -4.892 -12.641 -0.454 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.563 -13.771 -0.809 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -3.842 -13.222 0.861 1.00 0.00 H new ATOM 871 N ILE A 95 -3.860 -9.517 -0.285 1.00 0.00 N ATOM 872 CA ILE A 95 -4.312 -8.309 0.392 1.00 0.00 C ATOM 873 C ILE A 95 -5.783 -8.402 0.772 1.00 0.00 C ATOM 874 O ILE A 95 -6.638 -8.673 -0.071 1.00 0.00 O ATOM 875 CB ILE A 95 -4.106 -7.057 -0.484 1.00 0.00 C ATOM 876 CG1 ILE A 95 -2.756 -7.122 -1.204 1.00 0.00 C ATOM 877 CG2 ILE A 95 -4.204 -5.797 0.367 1.00 0.00 C ATOM 878 CD1 ILE A 95 -1.569 -7.043 -0.271 1.00 0.00 C ATOM 0 H ILE A 95 -3.940 -9.490 -1.302 1.00 0.00 H new ATOM 0 HA ILE A 95 -3.709 -8.219 1.296 1.00 0.00 H new ATOM 0 HB ILE A 95 -4.892 -7.025 -1.239 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -2.700 -8.051 -1.771 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -2.697 -6.305 -1.923 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -4.057 -4.920 -0.263 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -5.188 -5.748 0.833 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -3.437 -5.820 1.141 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -0.647 -7.095 -0.850 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -1.600 -6.102 0.278 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.603 -7.875 0.432 1.00 0.00 H new ATOM 890 N THR A 96 -6.074 -8.165 2.047 1.00 0.00 N ATOM 891 CA THR A 96 -7.444 -8.209 2.538 1.00 0.00 C ATOM 892 C THR A 96 -8.097 -6.842 2.383 1.00 0.00 C ATOM 893 O THR A 96 -7.416 -5.818 2.383 1.00 0.00 O ATOM 894 CB THR A 96 -7.476 -8.649 4.005 1.00 0.00 C ATOM 895 OG1 THR A 96 -6.219 -9.167 4.403 1.00 0.00 O ATOM 896 CG2 THR A 96 -8.519 -9.708 4.289 1.00 0.00 C ATOM 0 H THR A 96 -5.378 -7.941 2.758 1.00 0.00 H new ATOM 0 HA THR A 96 -8.002 -8.937 1.949 1.00 0.00 H new ATOM 0 HB THR A 96 -7.729 -7.751 4.569 1.00 0.00 H new ATOM 0 HG1 THR A 96 -5.586 -8.429 4.528 1.00 0.00 H new ATOM 0 HG21 THR A 96 -8.489 -9.975 5.345 1.00 0.00 H new ATOM 0 HG22 THR A 96 -9.507 -9.321 4.041 1.00 0.00 H new ATOM 0 HG23 THR A 96 -8.313 -10.592 3.686 1.00 0.00 H new ATOM 904 N ARG A 97 -9.416 -6.829 2.240 1.00 0.00 N ATOM 905 CA ARG A 97 -10.147 -5.579 2.073 1.00 0.00 C ATOM 906 C ARG A 97 -11.174 -5.387 3.181 1.00 0.00 C ATOM 907 O ARG A 97 -12.213 -6.048 3.203 1.00 0.00 O ATOM 908 CB ARG A 97 -10.839 -5.552 0.710 1.00 0.00 C ATOM 909 CG ARG A 97 -10.979 -4.156 0.124 1.00 0.00 C ATOM 910 CD ARG A 97 -11.190 -4.204 -1.381 1.00 0.00 C ATOM 911 NE ARG A 97 -11.839 -2.995 -1.880 1.00 0.00 N ATOM 912 CZ ARG A 97 -12.596 -2.954 -2.976 1.00 0.00 C ATOM 913 NH1 ARG A 97 -12.772 -4.044 -3.712 1.00 0.00 N ATOM 914 NH2 ARG A 97 -13.170 -1.815 -3.341 1.00 0.00 N ATOM 0 H ARG A 97 -10.000 -7.666 2.236 1.00 0.00 H new ATOM 0 HA ARG A 97 -9.430 -4.760 2.130 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -10.276 -6.174 0.014 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -11.829 -5.997 0.806 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -11.819 -3.645 0.594 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -10.085 -3.574 0.349 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -10.228 -4.331 -1.878 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -11.797 -5.073 -1.635 1.00 0.00 H new ATOM 0 HE ARG A 97 -11.705 -2.129 -1.358 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -12.327 -4.920 -3.440 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -13.353 -4.005 -4.550 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -13.032 -0.972 -2.783 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -13.750 -1.782 -4.180 1.00 0.00 H new ATOM 928 N TYR A 98 -10.878 -4.472 4.096 1.00 0.00 N ATOM 929 CA TYR A 98 -11.775 -4.180 5.203 1.00 0.00 C ATOM 930 C TYR A 98 -12.491 -2.854 4.971 1.00 0.00 C ATOM 931 O TYR A 98 -11.941 -1.786 5.240 1.00 0.00 O ATOM 932 CB TYR A 98 -10.989 -4.123 6.515 1.00 0.00 C ATOM 933 CG TYR A 98 -10.652 -5.483 7.082 1.00 0.00 C ATOM 934 CD1 TYR A 98 -11.314 -5.974 8.200 1.00 0.00 C ATOM 935 CD2 TYR A 98 -9.671 -6.276 6.500 1.00 0.00 C ATOM 936 CE1 TYR A 98 -11.009 -7.216 8.722 1.00 0.00 C ATOM 937 CE2 TYR A 98 -9.359 -7.519 7.015 1.00 0.00 C ATOM 938 CZ TYR A 98 -10.031 -7.985 8.126 1.00 0.00 C ATOM 939 OH TYR A 98 -9.723 -9.222 8.643 1.00 0.00 O ATOM 0 H TYR A 98 -10.021 -3.919 4.091 1.00 0.00 H new ATOM 0 HA TYR A 98 -12.518 -4.975 5.266 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -10.065 -3.569 6.351 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -11.568 -3.566 7.251 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -12.080 -5.375 8.669 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -9.143 -5.914 5.630 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -11.533 -7.583 9.592 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -8.593 -8.123 6.551 1.00 0.00 H new ATOM 0 HH TYR A 98 -9.014 -9.634 8.106 1.00 0.00 H new ATOM 949 N GLY A 99 -13.718 -2.928 4.468 1.00 0.00 N ATOM 950 CA GLY A 99 -14.480 -1.724 4.208 1.00 0.00 C ATOM 951 C GLY A 99 -15.167 -1.186 5.444 1.00 0.00 C ATOM 952 O GLY A 99 -15.925 -1.896 6.104 1.00 0.00 O ATOM 0 H GLY A 99 -14.197 -3.799 4.237 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -13.816 -0.959 3.805 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -15.228 -1.931 3.443 1.00 0.00 H new ATOM 956 N ILE A 100 -14.898 0.078 5.757 1.00 0.00 N ATOM 957 CA ILE A 100 -15.493 0.718 6.923 1.00 0.00 C ATOM 958 C ILE A 100 -16.101 2.071 6.567 1.00 0.00 C ATOM 959 O ILE A 100 -17.167 2.433 7.062 1.00 0.00 O ATOM 960 CB ILE A 100 -14.459 0.911 8.048 1.00 0.00 C ATOM 961 CG1 ILE A 100 -13.291 1.767 7.556 1.00 0.00 C ATOM 962 CG2 ILE A 100 -13.961 -0.438 8.547 1.00 0.00 C ATOM 963 CD1 ILE A 100 -13.475 3.247 7.812 1.00 0.00 C ATOM 0 H ILE A 100 -14.272 0.678 5.219 1.00 0.00 H new ATOM 0 HA ILE A 100 -16.283 0.054 7.274 1.00 0.00 H new ATOM 0 HB ILE A 100 -14.940 1.429 8.878 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -12.376 1.433 8.045 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -13.158 1.605 6.486 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -13.231 -0.285 9.342 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -14.801 -1.016 8.932 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -13.494 -0.980 7.725 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -12.608 3.792 7.437 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -14.372 3.596 7.301 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -13.577 3.421 8.883 1.00 0.00 H new ATOM 975 N SER A 101 -15.412 2.814 5.710 1.00 0.00 N ATOM 976 CA SER A 101 -15.877 4.129 5.288 1.00 0.00 C ATOM 977 C SER A 101 -17.256 4.046 4.640 1.00 0.00 C ATOM 978 O SER A 101 -18.055 4.977 4.741 1.00 0.00 O ATOM 979 CB SER A 101 -14.883 4.749 4.305 1.00 0.00 C ATOM 980 OG SER A 101 -14.700 6.130 4.566 1.00 0.00 O ATOM 0 H SER A 101 -14.527 2.527 5.293 1.00 0.00 H new ATOM 0 HA SER A 101 -15.952 4.758 6.175 1.00 0.00 H new ATOM 0 HB2 SER A 101 -13.926 4.232 4.377 1.00 0.00 H new ATOM 0 HB3 SER A 101 -15.243 4.613 3.285 1.00 0.00 H new ATOM 0 HG SER A 101 -14.660 6.621 3.719 1.00 0.00 H new ATOM 986 N THR A 102 -17.525 2.933 3.967 1.00 0.00 N ATOM 987 CA THR A 102 -18.805 2.739 3.293 1.00 0.00 C ATOM 988 C THR A 102 -19.015 1.272 2.926 1.00 0.00 C ATOM 989 O THR A 102 -18.092 0.461 3.013 1.00 0.00 O ATOM 990 CB THR A 102 -18.864 3.601 2.032 1.00 0.00 C ATOM 991 OG1 THR A 102 -18.345 4.894 2.282 1.00 0.00 O ATOM 992 CG2 THR A 102 -20.263 3.766 1.480 1.00 0.00 C ATOM 0 H THR A 102 -16.876 2.152 3.873 1.00 0.00 H new ATOM 0 HA THR A 102 -19.599 3.038 3.977 1.00 0.00 H new ATOM 0 HB THR A 102 -18.262 3.070 1.294 1.00 0.00 H new ATOM 0 HG1 THR A 102 -18.723 5.243 3.116 1.00 0.00 H new ATOM 0 HG21 THR A 102 -20.230 4.389 0.586 1.00 0.00 H new ATOM 0 HG22 THR A 102 -20.672 2.788 1.226 1.00 0.00 H new ATOM 0 HG23 THR A 102 -20.896 4.240 2.230 1.00 0.00 H new ATOM 1000 N ASP A 103 -20.234 0.939 2.512 1.00 0.00 N ATOM 1001 CA ASP A 103 -20.565 -0.428 2.126 1.00 0.00 C ATOM 1002 C ASP A 103 -20.550 -0.596 0.605 1.00 0.00 C ATOM 1003 O ASP A 103 -21.023 -1.603 0.080 1.00 0.00 O ATOM 1004 CB ASP A 103 -21.937 -0.816 2.676 1.00 0.00 C ATOM 1005 CG ASP A 103 -22.033 -0.624 4.177 1.00 0.00 C ATOM 1006 OD1 ASP A 103 -21.627 -1.542 4.921 1.00 0.00 O ATOM 1007 OD2 ASP A 103 -22.512 0.445 4.610 1.00 0.00 O ATOM 0 H ASP A 103 -21.009 1.598 2.435 1.00 0.00 H new ATOM 0 HA ASP A 103 -19.807 -1.086 2.550 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -22.705 -0.217 2.186 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -22.142 -1.858 2.432 1.00 0.00 H new ATOM 1012 N ASP A 104 -19.998 0.392 -0.098 1.00 0.00 N ATOM 1013 CA ASP A 104 -19.917 0.344 -1.555 1.00 0.00 C ATOM 1014 C ASP A 104 -18.463 0.439 -2.008 1.00 0.00 C ATOM 1015 O ASP A 104 -17.698 1.231 -1.469 1.00 0.00 O ATOM 1016 CB ASP A 104 -20.737 1.480 -2.171 1.00 0.00 C ATOM 1017 CG ASP A 104 -21.895 0.972 -3.008 1.00 0.00 C ATOM 1018 OD1 ASP A 104 -22.762 0.265 -2.452 1.00 0.00 O ATOM 1019 OD2 ASP A 104 -21.935 1.282 -4.216 1.00 0.00 O ATOM 0 H ASP A 104 -19.601 1.234 0.318 1.00 0.00 H new ATOM 0 HA ASP A 104 -20.328 -0.607 -1.894 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -21.120 2.120 -1.376 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -20.088 2.098 -2.792 1.00 0.00 H new ATOM 1024 N PRO A 105 -18.059 -0.371 -3.004 1.00 0.00 N ATOM 1025 CA PRO A 105 -16.687 -0.380 -3.523 1.00 0.00 C ATOM 1026 C PRO A 105 -16.031 0.998 -3.552 1.00 0.00 C ATOM 1027 O PRO A 105 -16.081 1.700 -4.562 1.00 0.00 O ATOM 1028 CB PRO A 105 -16.885 -0.919 -4.932 1.00 0.00 C ATOM 1029 CG PRO A 105 -17.987 -1.909 -4.776 1.00 0.00 C ATOM 1030 CD PRO A 105 -18.904 -1.354 -3.712 1.00 0.00 C ATOM 0 HA PRO A 105 -16.014 -0.967 -2.897 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -17.154 -0.127 -5.630 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -15.977 -1.386 -5.314 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -18.521 -2.049 -5.716 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -17.596 -2.884 -4.484 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -19.786 -0.885 -4.148 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -19.258 -2.136 -3.040 1.00 0.00 H new ATOM 1038 N ASN A 106 -15.404 1.371 -2.437 1.00 0.00 N ATOM 1039 CA ASN A 106 -14.724 2.657 -2.340 1.00 0.00 C ATOM 1040 C ASN A 106 -13.635 2.637 -1.270 1.00 0.00 C ATOM 1041 O ASN A 106 -13.309 1.584 -0.720 1.00 0.00 O ATOM 1042 CB ASN A 106 -15.723 3.795 -2.076 1.00 0.00 C ATOM 1043 CG ASN A 106 -16.525 3.619 -0.797 1.00 0.00 C ATOM 1044 OD1 ASN A 106 -17.741 3.438 -0.839 1.00 0.00 O ATOM 1045 ND2 ASN A 106 -15.857 3.700 0.350 1.00 0.00 N ATOM 0 H ASN A 106 -15.354 0.802 -1.592 1.00 0.00 H new ATOM 0 HA ASN A 106 -14.244 2.842 -3.301 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -15.180 4.739 -2.027 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -16.411 3.866 -2.919 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -16.353 3.611 1.237 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -14.848 3.851 0.343 1.00 0.00 H new ATOM 1052 N LYS A 107 -13.070 3.812 -0.994 1.00 0.00 N ATOM 1053 CA LYS A 107 -12.002 3.964 -0.005 1.00 0.00 C ATOM 1054 C LYS A 107 -12.234 3.096 1.231 1.00 0.00 C ATOM 1055 O LYS A 107 -13.166 3.322 2.001 1.00 0.00 O ATOM 1056 CB LYS A 107 -11.874 5.443 0.393 1.00 0.00 C ATOM 1057 CG LYS A 107 -11.176 5.685 1.728 1.00 0.00 C ATOM 1058 CD LYS A 107 -11.942 6.680 2.583 1.00 0.00 C ATOM 1059 CE LYS A 107 -11.785 6.377 4.065 1.00 0.00 C ATOM 1060 NZ LYS A 107 -10.373 6.070 4.423 1.00 0.00 N ATOM 0 H LYS A 107 -13.339 4.685 -1.449 1.00 0.00 H new ATOM 0 HA LYS A 107 -11.072 3.626 -0.462 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -11.326 5.970 -0.389 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -12.871 5.882 0.435 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -11.078 4.742 2.265 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -10.167 6.057 1.550 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -11.585 7.689 2.377 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -12.998 6.654 2.315 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -12.130 7.231 4.648 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -12.419 5.531 4.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -10.225 6.251 5.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -10.172 5.071 4.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -9.735 6.674 3.866 1.00 0.00 H new ATOM 1074 N TRP A 108 -11.364 2.106 1.401 1.00 0.00 N ATOM 1075 CA TRP A 108 -11.434 1.182 2.524 1.00 0.00 C ATOM 1076 C TRP A 108 -10.034 0.848 3.036 1.00 0.00 C ATOM 1077 O TRP A 108 -9.035 1.304 2.479 1.00 0.00 O ATOM 1078 CB TRP A 108 -12.152 -0.090 2.103 1.00 0.00 C ATOM 1079 CG TRP A 108 -13.604 0.123 1.830 1.00 0.00 C ATOM 1080 CD1 TRP A 108 -14.430 1.028 2.428 1.00 0.00 C ATOM 1081 CD2 TRP A 108 -14.404 -0.592 0.893 1.00 0.00 C ATOM 1082 NE1 TRP A 108 -15.695 0.920 1.912 1.00 0.00 N ATOM 1083 CE2 TRP A 108 -15.707 -0.075 0.973 1.00 0.00 C ATOM 1084 CE3 TRP A 108 -14.139 -1.619 -0.004 1.00 0.00 C ATOM 1085 CZ2 TRP A 108 -16.745 -0.558 0.189 1.00 0.00 C ATOM 1086 CZ3 TRP A 108 -15.169 -2.101 -0.788 1.00 0.00 C ATOM 1087 CH2 TRP A 108 -16.461 -1.569 -0.684 1.00 0.00 C ATOM 0 H TRP A 108 -10.590 1.923 0.762 1.00 0.00 H new ATOM 0 HA TRP A 108 -11.991 1.658 3.331 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -11.675 -0.491 1.209 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -12.041 -0.839 2.887 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -14.131 1.727 3.195 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -16.497 1.489 2.184 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -13.145 -2.033 -0.087 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -17.742 -0.149 0.266 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -14.976 -2.898 -1.490 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -17.248 -1.967 -1.307 1.00 0.00 H new ATOM 1098 N ARG A 109 -9.969 0.051 4.097 1.00 0.00 N ATOM 1099 CA ARG A 109 -8.691 -0.343 4.685 1.00 0.00 C ATOM 1100 C ARG A 109 -8.292 -1.722 4.184 1.00 0.00 C ATOM 1101 O ARG A 109 -9.143 -2.594 4.016 1.00 0.00 O ATOM 1102 CB ARG A 109 -8.803 -0.387 6.211 1.00 0.00 C ATOM 1103 CG ARG A 109 -8.159 0.792 6.916 1.00 0.00 C ATOM 1104 CD ARG A 109 -8.878 1.118 8.216 1.00 0.00 C ATOM 1105 NE ARG A 109 -9.269 2.523 8.293 1.00 0.00 N ATOM 1106 CZ ARG A 109 -10.157 3.095 7.480 1.00 0.00 C ATOM 1107 NH1 ARG A 109 -10.734 2.391 6.514 1.00 0.00 N ATOM 1108 NH2 ARG A 109 -10.469 4.374 7.634 1.00 0.00 N ATOM 0 H ARG A 109 -10.786 -0.336 4.569 1.00 0.00 H new ATOM 0 HA ARG A 109 -7.938 0.389 4.394 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -9.857 -0.429 6.486 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -8.343 -1.307 6.572 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -7.113 0.567 7.123 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -8.175 1.663 6.261 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -9.765 0.490 8.306 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -8.230 0.876 9.058 1.00 0.00 H new ATOM 0 HE ARG A 109 -8.836 3.102 9.013 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -10.499 1.406 6.390 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -11.413 2.835 5.895 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -10.030 4.921 8.375 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -11.149 4.812 7.012 1.00 0.00 H new ATOM 1122 N TYR A 110 -6.999 -1.928 3.949 1.00 0.00 N ATOM 1123 CA TYR A 110 -6.530 -3.218 3.477 1.00 0.00 C ATOM 1124 C TYR A 110 -5.671 -3.878 4.532 1.00 0.00 C ATOM 1125 O TYR A 110 -5.251 -3.229 5.488 1.00 0.00 O ATOM 1126 CB TYR A 110 -5.772 -3.058 2.169 1.00 0.00 C ATOM 1127 CG TYR A 110 -6.683 -2.704 1.021 1.00 0.00 C ATOM 1128 CD1 TYR A 110 -7.116 -3.676 0.131 1.00 0.00 C ATOM 1129 CD2 TYR A 110 -7.113 -1.397 0.832 1.00 0.00 C ATOM 1130 CE1 TYR A 110 -7.955 -3.354 -0.922 1.00 0.00 C ATOM 1131 CE2 TYR A 110 -7.951 -1.068 -0.216 1.00 0.00 C ATOM 1132 CZ TYR A 110 -8.368 -2.048 -1.088 1.00 0.00 C ATOM 1133 OH TYR A 110 -9.204 -1.721 -2.129 1.00 0.00 O ATOM 0 H TYR A 110 -6.270 -1.226 4.077 1.00 0.00 H new ATOM 0 HA TYR A 110 -7.389 -3.862 3.289 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -5.015 -2.282 2.282 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -5.246 -3.985 1.940 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -6.794 -4.699 0.261 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -6.787 -0.626 1.515 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -8.284 -4.120 -1.609 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -8.277 -0.047 -0.350 1.00 0.00 H new ATOM 0 HH TYR A 110 -9.400 -0.761 -2.102 1.00 0.00 H new ATOM 1143 N TYR A 111 -5.440 -5.174 4.389 1.00 0.00 N ATOM 1144 CA TYR A 111 -4.654 -5.893 5.380 1.00 0.00 C ATOM 1145 C TYR A 111 -3.723 -6.929 4.764 1.00 0.00 C ATOM 1146 O TYR A 111 -4.146 -7.794 3.997 1.00 0.00 O ATOM 1147 CB TYR A 111 -5.586 -6.556 6.393 1.00 0.00 C ATOM 1148 CG TYR A 111 -6.101 -5.599 7.446 1.00 0.00 C ATOM 1149 CD1 TYR A 111 -5.681 -5.702 8.766 1.00 0.00 C ATOM 1150 CD2 TYR A 111 -6.998 -4.585 7.118 1.00 0.00 C ATOM 1151 CE1 TYR A 111 -6.141 -4.822 9.730 1.00 0.00 C ATOM 1152 CE2 TYR A 111 -7.461 -3.702 8.075 1.00 0.00 C ATOM 1153 CZ TYR A 111 -7.028 -3.824 9.378 1.00 0.00 C ATOM 1154 OH TYR A 111 -7.487 -2.948 10.336 1.00 0.00 O ATOM 0 H TYR A 111 -5.778 -5.741 3.612 1.00 0.00 H new ATOM 0 HA TYR A 111 -4.018 -5.161 5.879 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -6.433 -6.995 5.865 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -5.057 -7.374 6.882 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -4.985 -6.480 9.044 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -7.338 -4.487 6.098 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -5.808 -4.915 10.753 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -8.157 -2.922 7.804 1.00 0.00 H new ATOM 0 HH TYR A 111 -8.103 -2.306 9.924 1.00 0.00 H new ATOM 1164 N LEU A 112 -2.453 -6.845 5.141 1.00 0.00 N ATOM 1165 CA LEU A 112 -1.437 -7.778 4.677 1.00 0.00 C ATOM 1166 C LEU A 112 -1.168 -8.800 5.773 1.00 0.00 C ATOM 1167 O LEU A 112 -0.467 -8.510 6.742 1.00 0.00 O ATOM 1168 CB LEU A 112 -0.148 -7.029 4.326 1.00 0.00 C ATOM 1169 CG LEU A 112 0.802 -7.759 3.374 1.00 0.00 C ATOM 1170 CD1 LEU A 112 0.974 -9.212 3.788 1.00 0.00 C ATOM 1171 CD2 LEU A 112 0.295 -7.664 1.944 1.00 0.00 C ATOM 0 H LEU A 112 -2.100 -6.129 5.776 1.00 0.00 H new ATOM 0 HA LEU A 112 -1.792 -8.286 3.780 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -0.415 -6.071 3.880 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.388 -6.812 5.250 1.00 0.00 H new ATOM 0 HG LEU A 112 1.778 -7.276 3.428 1.00 0.00 H new ATOM 0 HD11 LEU A 112 1.654 -9.709 3.096 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.386 -9.257 4.796 1.00 0.00 H new ATOM 0 HD13 LEU A 112 0.006 -9.713 3.769 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.982 -8.188 1.279 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.693 -8.119 1.877 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.233 -6.617 1.649 1.00 0.00 H new ATOM 1183 N ASP A 113 -1.748 -9.988 5.637 1.00 0.00 N ATOM 1184 CA ASP A 113 -1.583 -11.026 6.643 1.00 0.00 C ATOM 1185 C ASP A 113 -2.265 -10.587 7.949 1.00 0.00 C ATOM 1186 O ASP A 113 -3.465 -10.314 7.955 1.00 0.00 O ATOM 1187 CB ASP A 113 -0.094 -11.327 6.854 1.00 0.00 C ATOM 1188 CG ASP A 113 0.139 -12.634 7.586 1.00 0.00 C ATOM 1189 OD1 ASP A 113 0.916 -13.468 7.079 1.00 0.00 O ATOM 1190 OD2 ASP A 113 -0.455 -12.822 8.669 1.00 0.00 O ATOM 0 H ASP A 113 -2.333 -10.253 4.844 1.00 0.00 H new ATOM 0 HA ASP A 113 -2.058 -11.947 6.304 1.00 0.00 H new ATOM 0 HB2 ASP A 113 0.406 -11.363 5.886 1.00 0.00 H new ATOM 0 HB3 ASP A 113 0.361 -10.513 7.418 1.00 0.00 H new ATOM 1195 N SER A 114 -1.512 -10.502 9.045 1.00 0.00 N ATOM 1196 CA SER A 114 -2.073 -10.077 10.322 1.00 0.00 C ATOM 1197 C SER A 114 -1.813 -8.591 10.570 1.00 0.00 C ATOM 1198 O SER A 114 -1.954 -8.108 11.693 1.00 0.00 O ATOM 1199 CB SER A 114 -1.482 -10.906 11.464 1.00 0.00 C ATOM 1200 OG SER A 114 -2.445 -11.137 12.478 1.00 0.00 O ATOM 0 H SER A 114 -0.516 -10.721 9.072 1.00 0.00 H new ATOM 0 HA SER A 114 -3.151 -10.236 10.284 1.00 0.00 H new ATOM 0 HB2 SER A 114 -1.121 -11.859 11.077 1.00 0.00 H new ATOM 0 HB3 SER A 114 -0.622 -10.387 11.887 1.00 0.00 H new ATOM 0 HG SER A 114 -2.043 -11.670 13.195 1.00 0.00 H new ATOM 1206 N VAL A 115 -1.424 -7.869 9.519 1.00 0.00 N ATOM 1207 CA VAL A 115 -1.139 -6.443 9.634 1.00 0.00 C ATOM 1208 C VAL A 115 -2.047 -5.619 8.727 1.00 0.00 C ATOM 1209 O VAL A 115 -2.544 -6.113 7.716 1.00 0.00 O ATOM 1210 CB VAL A 115 0.333 -6.138 9.285 1.00 0.00 C ATOM 1211 CG1 VAL A 115 0.652 -4.671 9.530 1.00 0.00 C ATOM 1212 CG2 VAL A 115 1.269 -7.032 10.083 1.00 0.00 C ATOM 0 H VAL A 115 -1.300 -8.250 8.581 1.00 0.00 H new ATOM 0 HA VAL A 115 -1.327 -6.167 10.671 1.00 0.00 H new ATOM 0 HB VAL A 115 0.482 -6.346 8.225 1.00 0.00 H new ATOM 0 HG11 VAL A 115 1.695 -4.478 9.277 1.00 0.00 H new ATOM 0 HG12 VAL A 115 0.007 -4.050 8.908 1.00 0.00 H new ATOM 0 HG13 VAL A 115 0.483 -4.432 10.580 1.00 0.00 H new ATOM 0 HG21 VAL A 115 2.302 -6.802 9.823 1.00 0.00 H new ATOM 0 HG22 VAL A 115 1.116 -6.860 11.148 1.00 0.00 H new ATOM 0 HG23 VAL A 115 1.061 -8.076 9.851 1.00 0.00 H new ATOM 1222 N GLU A 116 -2.254 -4.358 9.093 1.00 0.00 N ATOM 1223 CA GLU A 116 -3.096 -3.460 8.309 1.00 0.00 C ATOM 1224 C GLU A 116 -2.248 -2.662 7.322 1.00 0.00 C ATOM 1225 O GLU A 116 -1.191 -2.147 7.683 1.00 0.00 O ATOM 1226 CB GLU A 116 -3.863 -2.509 9.230 1.00 0.00 C ATOM 1227 CG GLU A 116 -2.969 -1.530 9.976 1.00 0.00 C ATOM 1228 CD GLU A 116 -3.359 -1.378 11.434 1.00 0.00 C ATOM 1229 OE1 GLU A 116 -3.881 -2.354 12.013 1.00 0.00 O ATOM 1230 OE2 GLU A 116 -3.143 -0.284 11.995 1.00 0.00 O ATOM 0 H GLU A 116 -1.850 -3.934 9.928 1.00 0.00 H new ATOM 0 HA GLU A 116 -3.813 -4.061 7.750 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -4.587 -1.949 8.638 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -4.429 -3.095 9.954 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -1.935 -1.868 9.914 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -3.016 -0.557 9.488 1.00 0.00 H new ATOM 1237 N VAL A 117 -2.708 -2.571 6.077 1.00 0.00 N ATOM 1238 CA VAL A 117 -1.972 -1.843 5.051 1.00 0.00 C ATOM 1239 C VAL A 117 -2.881 -0.961 4.196 1.00 0.00 C ATOM 1240 O VAL A 117 -4.117 -1.079 4.222 1.00 0.00 O ATOM 1241 CB VAL A 117 -1.206 -2.805 4.123 1.00 0.00 C ATOM 1242 CG1 VAL A 117 -0.009 -3.404 4.844 1.00 0.00 C ATOM 1243 CG2 VAL A 117 -2.130 -3.897 3.604 1.00 0.00 C ATOM 0 H VAL A 117 -3.581 -2.990 5.757 1.00 0.00 H new ATOM 0 HA VAL A 117 -1.269 -1.205 5.586 1.00 0.00 H new ATOM 0 HB VAL A 117 -0.837 -2.239 3.268 1.00 0.00 H new ATOM 0 HG11 VAL A 117 0.519 -4.081 4.172 1.00 0.00 H new ATOM 0 HG12 VAL A 117 0.664 -2.606 5.158 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -0.351 -3.956 5.720 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -1.571 -4.566 2.950 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -2.533 -4.463 4.444 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -2.949 -3.445 3.045 1.00 0.00 H new ATOM 1253 N HIS A 118 -2.239 -0.071 3.442 1.00 0.00 N ATOM 1254 CA HIS A 118 -2.934 0.861 2.562 1.00 0.00 C ATOM 1255 C HIS A 118 -2.787 0.454 1.097 1.00 0.00 C ATOM 1256 O HIS A 118 -1.775 0.748 0.461 1.00 0.00 O ATOM 1257 CB HIS A 118 -2.369 2.267 2.754 1.00 0.00 C ATOM 1258 CG HIS A 118 -3.075 3.325 1.956 1.00 0.00 C ATOM 1259 ND1 HIS A 118 -3.913 4.258 2.523 1.00 0.00 N ATOM 1260 CD2 HIS A 118 -3.059 3.602 0.626 1.00 0.00 C ATOM 1261 CE1 HIS A 118 -4.380 5.057 1.581 1.00 0.00 C ATOM 1262 NE2 HIS A 118 -3.879 4.679 0.422 1.00 0.00 N ATOM 0 H HIS A 118 -1.223 0.023 3.425 1.00 0.00 H new ATOM 0 HA HIS A 118 -3.993 0.844 2.820 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -2.423 2.528 3.811 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -1.314 2.264 2.480 1.00 0.00 H new ATOM 0 HD1 HIS A 118 -4.138 4.322 3.516 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -2.502 3.070 -0.131 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -5.059 5.883 1.735 1.00 0.00 H new ATOM 1271 N LEU A 119 -3.806 -0.206 0.563 1.00 0.00 N ATOM 1272 CA LEU A 119 -3.799 -0.635 -0.831 1.00 0.00 C ATOM 1273 C LEU A 119 -4.712 0.271 -1.657 1.00 0.00 C ATOM 1274 O LEU A 119 -5.923 0.300 -1.440 1.00 0.00 O ATOM 1275 CB LEU A 119 -4.259 -2.087 -0.939 1.00 0.00 C ATOM 1276 CG LEU A 119 -4.197 -2.681 -2.342 1.00 0.00 C ATOM 1277 CD1 LEU A 119 -4.113 -4.197 -2.283 1.00 0.00 C ATOM 1278 CD2 LEU A 119 -5.401 -2.237 -3.148 1.00 0.00 C ATOM 0 H LEU A 119 -4.651 -0.457 1.076 1.00 0.00 H new ATOM 0 HA LEU A 119 -2.783 -0.563 -1.219 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -3.646 -2.697 -0.275 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -5.285 -2.155 -0.577 1.00 0.00 H new ATOM 0 HG LEU A 119 -3.296 -2.317 -2.835 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -4.070 -4.599 -3.295 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -3.216 -4.491 -1.737 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -4.993 -4.591 -1.774 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -5.348 -2.666 -4.148 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -6.313 -2.575 -2.656 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -5.410 -1.149 -3.220 1.00 0.00 H new ATOM 1290 N PRO A 120 -4.150 1.041 -2.609 1.00 0.00 N ATOM 1291 CA PRO A 120 -4.933 1.956 -3.442 1.00 0.00 C ATOM 1292 C PRO A 120 -6.154 1.280 -4.068 1.00 0.00 C ATOM 1293 O PRO A 120 -6.090 0.135 -4.504 1.00 0.00 O ATOM 1294 CB PRO A 120 -3.947 2.424 -4.523 1.00 0.00 C ATOM 1295 CG PRO A 120 -2.732 1.575 -4.366 1.00 0.00 C ATOM 1296 CD PRO A 120 -2.721 1.097 -2.943 1.00 0.00 C ATOM 0 HA PRO A 120 -5.341 2.779 -2.855 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -4.376 2.310 -5.518 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -3.704 3.479 -4.399 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -2.757 0.732 -5.057 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -1.830 2.145 -4.590 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -2.245 0.121 -2.847 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -2.179 1.782 -2.290 1.00 0.00 H new ATOM 1304 N PRO A 121 -7.292 1.991 -4.105 1.00 0.00 N ATOM 1305 CA PRO A 121 -8.554 1.473 -4.656 1.00 0.00 C ATOM 1306 C PRO A 121 -8.452 0.920 -6.081 1.00 0.00 C ATOM 1307 O PRO A 121 -9.393 0.291 -6.565 1.00 0.00 O ATOM 1308 CB PRO A 121 -9.488 2.693 -4.634 1.00 0.00 C ATOM 1309 CG PRO A 121 -8.600 3.870 -4.414 1.00 0.00 C ATOM 1310 CD PRO A 121 -7.457 3.361 -3.594 1.00 0.00 C ATOM 0 HA PRO A 121 -8.897 0.621 -4.069 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -10.036 2.785 -5.572 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -10.229 2.606 -3.839 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -8.251 4.281 -5.361 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -9.129 4.670 -3.896 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -6.557 3.959 -3.735 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -7.684 3.373 -2.528 1.00 0.00 H new ATOM 1318 N PHE A 122 -7.339 1.162 -6.767 1.00 0.00 N ATOM 1319 CA PHE A 122 -7.197 0.679 -8.143 1.00 0.00 C ATOM 1320 C PHE A 122 -6.572 -0.718 -8.221 1.00 0.00 C ATOM 1321 O PHE A 122 -6.415 -1.260 -9.314 1.00 0.00 O ATOM 1322 CB PHE A 122 -6.392 1.657 -9.017 1.00 0.00 C ATOM 1323 CG PHE A 122 -5.621 2.707 -8.263 1.00 0.00 C ATOM 1324 CD1 PHE A 122 -4.237 2.711 -8.289 1.00 0.00 C ATOM 1325 CD2 PHE A 122 -6.278 3.693 -7.544 1.00 0.00 C ATOM 1326 CE1 PHE A 122 -3.520 3.677 -7.612 1.00 0.00 C ATOM 1327 CE2 PHE A 122 -5.566 4.661 -6.861 1.00 0.00 C ATOM 1328 CZ PHE A 122 -4.185 4.654 -6.896 1.00 0.00 C ATOM 0 H PHE A 122 -6.537 1.678 -6.406 1.00 0.00 H new ATOM 0 HA PHE A 122 -8.213 0.614 -8.533 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -5.693 1.084 -9.626 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -7.078 2.155 -9.702 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -3.712 1.949 -8.846 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -7.358 3.705 -7.517 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -2.440 3.669 -7.642 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -6.089 5.422 -6.301 1.00 0.00 H new ATOM 0 HZ PHE A 122 -3.626 5.410 -6.365 1.00 0.00 H new ATOM 1338 N TRP A 123 -6.219 -1.308 -7.079 1.00 0.00 N ATOM 1339 CA TRP A 123 -5.623 -2.643 -7.084 1.00 0.00 C ATOM 1340 C TRP A 123 -6.559 -3.685 -6.476 1.00 0.00 C ATOM 1341 O TRP A 123 -6.300 -4.884 -6.572 1.00 0.00 O ATOM 1342 CB TRP A 123 -4.307 -2.641 -6.320 1.00 0.00 C ATOM 1343 CG TRP A 123 -3.286 -1.716 -6.884 1.00 0.00 C ATOM 1344 CD1 TRP A 123 -3.239 -1.194 -8.144 1.00 0.00 C ATOM 1345 CD2 TRP A 123 -2.162 -1.199 -6.189 1.00 0.00 C ATOM 1346 NE1 TRP A 123 -2.141 -0.369 -8.264 1.00 0.00 N ATOM 1347 CE2 TRP A 123 -1.467 -0.360 -7.073 1.00 0.00 C ATOM 1348 CE3 TRP A 123 -1.683 -1.366 -4.896 1.00 0.00 C ATOM 1349 CZ2 TRP A 123 -0.311 0.311 -6.693 1.00 0.00 C ATOM 1350 CZ3 TRP A 123 -0.540 -0.702 -4.524 1.00 0.00 C ATOM 1351 CH2 TRP A 123 0.135 0.126 -5.417 1.00 0.00 C ATOM 0 H TRP A 123 -6.333 -0.892 -6.155 1.00 0.00 H new ATOM 0 HA TRP A 123 -5.443 -2.910 -8.125 1.00 0.00 H new ATOM 0 HB2 TRP A 123 -4.500 -2.365 -5.283 1.00 0.00 H new ATOM 0 HB3 TRP A 123 -3.901 -3.653 -6.311 1.00 0.00 H new ATOM 0 HD1 TRP A 123 -3.954 -1.396 -8.928 1.00 0.00 H new ATOM 0 HE1 TRP A 123 -1.875 0.149 -9.102 1.00 0.00 H new ATOM 0 HE3 TRP A 123 -2.200 -2.006 -4.196 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 0.215 0.955 -7.382 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 -0.158 -0.824 -3.521 1.00 0.00 H new ATOM 0 HH2 TRP A 123 1.032 0.633 -5.092 1.00 0.00 H new ATOM 1362 N GLU A 124 -7.645 -3.237 -5.849 1.00 0.00 N ATOM 1363 CA GLU A 124 -8.598 -4.159 -5.239 1.00 0.00 C ATOM 1364 C GLU A 124 -9.021 -5.234 -6.237 1.00 0.00 C ATOM 1365 O GLU A 124 -9.395 -6.341 -5.853 1.00 0.00 O ATOM 1366 CB GLU A 124 -9.824 -3.405 -4.720 1.00 0.00 C ATOM 1367 CG GLU A 124 -10.598 -2.675 -5.802 1.00 0.00 C ATOM 1368 CD GLU A 124 -11.175 -1.358 -5.318 1.00 0.00 C ATOM 1369 OE1 GLU A 124 -10.633 -0.794 -4.344 1.00 0.00 O ATOM 1370 OE2 GLU A 124 -12.169 -0.892 -5.913 1.00 0.00 O ATOM 0 H GLU A 124 -7.885 -2.250 -5.751 1.00 0.00 H new ATOM 0 HA GLU A 124 -8.108 -4.644 -4.395 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -10.490 -4.111 -4.224 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -9.504 -2.685 -3.967 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -9.941 -2.489 -6.651 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -11.407 -3.313 -6.158 1.00 0.00 H new ATOM 1377 N GLN A 125 -8.945 -4.897 -7.522 1.00 0.00 N ATOM 1378 CA GLN A 125 -9.302 -5.830 -8.582 1.00 0.00 C ATOM 1379 C GLN A 125 -8.065 -6.570 -9.083 1.00 0.00 C ATOM 1380 O GLN A 125 -8.153 -7.702 -9.557 1.00 0.00 O ATOM 1381 CB GLN A 125 -9.969 -5.085 -9.740 1.00 0.00 C ATOM 1382 CG GLN A 125 -9.100 -3.991 -10.341 1.00 0.00 C ATOM 1383 CD GLN A 125 -9.831 -2.669 -10.470 1.00 0.00 C ATOM 1384 OE1 GLN A 125 -10.732 -2.523 -11.296 1.00 0.00 O ATOM 1385 NE2 GLN A 125 -9.446 -1.697 -9.651 1.00 0.00 N ATOM 0 H GLN A 125 -8.638 -3.982 -7.853 1.00 0.00 H new ATOM 0 HA GLN A 125 -10.004 -6.558 -8.177 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -10.229 -5.801 -10.520 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -10.902 -4.644 -9.388 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -8.215 -3.853 -9.720 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -8.753 -4.307 -11.325 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -8.694 -1.862 -8.981 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -9.902 -0.785 -9.692 1.00 0.00 H new ATOM 1394 N TYR A 126 -6.909 -5.919 -8.971 1.00 0.00 N ATOM 1395 CA TYR A 126 -5.648 -6.508 -9.406 1.00 0.00 C ATOM 1396 C TYR A 126 -5.115 -7.509 -8.382 1.00 0.00 C ATOM 1397 O TYR A 126 -4.186 -8.264 -8.668 1.00 0.00 O ATOM 1398 CB TYR A 126 -4.601 -5.417 -9.638 1.00 0.00 C ATOM 1399 CG TYR A 126 -5.070 -4.282 -10.524 1.00 0.00 C ATOM 1400 CD1 TYR A 126 -6.209 -4.402 -11.314 1.00 0.00 C ATOM 1401 CD2 TYR A 126 -4.367 -3.087 -10.570 1.00 0.00 C ATOM 1402 CE1 TYR A 126 -6.631 -3.362 -12.121 1.00 0.00 C ATOM 1403 CE2 TYR A 126 -4.782 -2.042 -11.373 1.00 0.00 C ATOM 1404 CZ TYR A 126 -5.914 -2.184 -12.146 1.00 0.00 C ATOM 1405 OH TYR A 126 -6.330 -1.146 -12.948 1.00 0.00 O ATOM 0 H TYR A 126 -6.821 -4.981 -8.581 1.00 0.00 H new ATOM 0 HA TYR A 126 -5.841 -7.036 -10.340 1.00 0.00 H new ATOM 0 HB2 TYR A 126 -4.299 -5.009 -8.674 1.00 0.00 H new ATOM 0 HB3 TYR A 126 -3.715 -5.869 -10.084 1.00 0.00 H new ATOM 0 HD1 TYR A 126 -6.773 -5.323 -11.296 1.00 0.00 H new ATOM 0 HD2 TYR A 126 -3.479 -2.971 -9.967 1.00 0.00 H new ATOM 0 HE1 TYR A 126 -7.517 -3.471 -12.729 1.00 0.00 H new ATOM 0 HE2 TYR A 126 -4.222 -1.119 -11.395 1.00 0.00 H new ATOM 0 HH TYR A 126 -5.716 -0.389 -12.848 1.00 0.00 H new ATOM 1415 N ILE A 127 -5.694 -7.499 -7.183 1.00 0.00 N ATOM 1416 CA ILE A 127 -5.257 -8.395 -6.118 1.00 0.00 C ATOM 1417 C ILE A 127 -5.939 -9.759 -6.196 1.00 0.00 C ATOM 1418 O ILE A 127 -7.148 -9.874 -5.997 1.00 0.00 O ATOM 1419 CB ILE A 127 -5.527 -7.783 -4.729 1.00 0.00 C ATOM 1420 CG1 ILE A 127 -6.982 -7.326 -4.619 1.00 0.00 C ATOM 1421 CG2 ILE A 127 -4.581 -6.621 -4.470 1.00 0.00 C ATOM 1422 CD1 ILE A 127 -7.627 -7.686 -3.298 1.00 0.00 C ATOM 0 H ILE A 127 -6.464 -6.882 -6.926 1.00 0.00 H new ATOM 0 HA ILE A 127 -4.185 -8.532 -6.257 1.00 0.00 H new ATOM 0 HB ILE A 127 -5.350 -8.548 -3.973 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -7.027 -6.245 -4.754 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -7.558 -7.773 -5.430 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -4.784 -6.199 -3.486 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -3.551 -6.975 -4.508 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -4.729 -5.855 -5.231 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -8.658 -7.332 -3.288 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -7.614 -8.768 -3.170 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -7.075 -7.217 -2.484 1.00 0.00 H new ATOM 1434 N ASN A 128 -5.147 -10.792 -6.468 1.00 0.00 N ATOM 1435 CA ASN A 128 -5.664 -12.158 -6.553 1.00 0.00 C ATOM 1436 C ASN A 128 -5.311 -12.945 -5.288 1.00 0.00 C ATOM 1437 O ASN A 128 -4.848 -12.366 -4.305 1.00 0.00 O ATOM 1438 CB ASN A 128 -5.107 -12.876 -7.788 1.00 0.00 C ATOM 1439 CG ASN A 128 -3.654 -12.546 -8.063 1.00 0.00 C ATOM 1440 OD1 ASN A 128 -2.759 -13.323 -7.738 1.00 0.00 O ATOM 1441 ND2 ASN A 128 -3.412 -11.393 -8.672 1.00 0.00 N ATOM 0 H ASN A 128 -4.144 -10.711 -6.634 1.00 0.00 H new ATOM 0 HA ASN A 128 -6.749 -12.102 -6.643 1.00 0.00 H new ATOM 0 HB2 ASN A 128 -5.209 -13.953 -7.652 1.00 0.00 H new ATOM 0 HB3 ASN A 128 -5.706 -12.607 -8.658 1.00 0.00 H new ATOM 0 HD21 ASN A 128 -2.453 -11.122 -8.888 1.00 0.00 H new ATOM 0 HD22 ASN A 128 -4.185 -10.777 -8.924 1.00 0.00 H new ATOM 1448 N ASP A 129 -5.528 -14.264 -5.316 1.00 0.00 N ATOM 1449 CA ASP A 129 -5.223 -15.118 -4.164 1.00 0.00 C ATOM 1450 C ASP A 129 -3.857 -14.767 -3.583 1.00 0.00 C ATOM 1451 O ASP A 129 -3.738 -14.424 -2.409 1.00 0.00 O ATOM 1452 CB ASP A 129 -5.255 -16.593 -4.573 1.00 0.00 C ATOM 1453 CG ASP A 129 -6.653 -17.067 -4.919 1.00 0.00 C ATOM 1454 OD1 ASP A 129 -7.115 -16.780 -6.043 1.00 0.00 O ATOM 1455 OD2 ASP A 129 -7.285 -17.724 -4.067 1.00 0.00 O ATOM 0 H ASP A 129 -5.912 -14.761 -6.120 1.00 0.00 H new ATOM 0 HA ASP A 129 -5.981 -14.946 -3.400 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -4.601 -16.743 -5.432 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -4.859 -17.201 -3.760 1.00 0.00 H new ATOM 1460 N GLU A 130 -2.835 -14.821 -4.428 1.00 0.00 N ATOM 1461 CA GLU A 130 -1.481 -14.473 -4.020 1.00 0.00 C ATOM 1462 C GLU A 130 -0.920 -13.457 -5.004 1.00 0.00 C ATOM 1463 O GLU A 130 -0.937 -13.685 -6.212 1.00 0.00 O ATOM 1464 CB GLU A 130 -0.594 -15.719 -3.977 1.00 0.00 C ATOM 1465 CG GLU A 130 0.367 -15.742 -2.799 1.00 0.00 C ATOM 1466 CD GLU A 130 1.494 -16.738 -2.986 1.00 0.00 C ATOM 1467 OE1 GLU A 130 1.975 -17.290 -1.974 1.00 0.00 O ATOM 1468 OE2 GLU A 130 1.899 -16.966 -4.147 1.00 0.00 O ATOM 0 H GLU A 130 -2.920 -15.104 -5.404 1.00 0.00 H new ATOM 0 HA GLU A 130 -1.502 -14.043 -3.018 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -1.228 -16.605 -3.935 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -0.022 -15.780 -4.903 1.00 0.00 H new ATOM 0 HG2 GLU A 130 0.787 -14.746 -2.658 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -0.183 -15.988 -1.891 1.00 0.00 H new ATOM 1475 N ASN A 131 -0.457 -12.321 -4.497 1.00 0.00 N ATOM 1476 CA ASN A 131 0.057 -11.273 -5.370 1.00 0.00 C ATOM 1477 C ASN A 131 1.397 -10.730 -4.913 1.00 0.00 C ATOM 1478 O ASN A 131 1.699 -10.685 -3.721 1.00 0.00 O ATOM 1479 CB ASN A 131 -0.941 -10.115 -5.448 1.00 0.00 C ATOM 1480 CG ASN A 131 -2.360 -10.541 -5.130 1.00 0.00 C ATOM 1481 OD1 ASN A 131 -2.797 -11.623 -5.520 1.00 0.00 O ATOM 1482 ND2 ASN A 131 -3.088 -9.692 -4.415 1.00 0.00 N ATOM 0 H ASN A 131 -0.427 -12.103 -3.501 1.00 0.00 H new ATOM 0 HA ASN A 131 0.197 -11.729 -6.350 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -0.637 -9.332 -4.753 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -0.912 -9.683 -6.448 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -4.050 -9.927 -4.169 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -2.686 -8.805 -4.112 1.00 0.00 H new ATOM 1489 N THR A 132 2.172 -10.268 -5.885 1.00 0.00 N ATOM 1490 CA THR A 132 3.460 -9.661 -5.613 1.00 0.00 C ATOM 1491 C THR A 132 3.217 -8.234 -5.153 1.00 0.00 C ATOM 1492 O THR A 132 2.765 -7.390 -5.934 1.00 0.00 O ATOM 1493 CB THR A 132 4.344 -9.679 -6.860 1.00 0.00 C ATOM 1494 OG1 THR A 132 4.497 -11.000 -7.348 1.00 0.00 O ATOM 1495 CG2 THR A 132 5.728 -9.114 -6.622 1.00 0.00 C ATOM 0 H THR A 132 1.925 -10.304 -6.874 1.00 0.00 H new ATOM 0 HA THR A 132 3.980 -10.224 -4.838 1.00 0.00 H new ATOM 0 HB THR A 132 3.832 -9.047 -7.585 1.00 0.00 H new ATOM 0 HG1 THR A 132 5.064 -10.990 -8.147 1.00 0.00 H new ATOM 0 HG21 THR A 132 6.303 -9.157 -7.547 1.00 0.00 H new ATOM 0 HG22 THR A 132 5.646 -8.078 -6.293 1.00 0.00 H new ATOM 0 HG23 THR A 132 6.233 -9.700 -5.854 1.00 0.00 H new ATOM 1503 N VAL A 133 3.462 -7.979 -3.876 1.00 0.00 N ATOM 1504 CA VAL A 133 3.214 -6.661 -3.312 1.00 0.00 C ATOM 1505 C VAL A 133 4.480 -5.995 -2.796 1.00 0.00 C ATOM 1506 O VAL A 133 5.288 -6.607 -2.097 1.00 0.00 O ATOM 1507 CB VAL A 133 2.176 -6.719 -2.164 1.00 0.00 C ATOM 1508 CG1 VAL A 133 0.857 -6.120 -2.613 1.00 0.00 C ATOM 1509 CG2 VAL A 133 1.969 -8.145 -1.663 1.00 0.00 C ATOM 0 H VAL A 133 3.830 -8.663 -3.215 1.00 0.00 H new ATOM 0 HA VAL A 133 2.820 -6.062 -4.133 1.00 0.00 H new ATOM 0 HB VAL A 133 2.568 -6.131 -1.334 1.00 0.00 H new ATOM 0 HG11 VAL A 133 0.138 -6.168 -1.795 1.00 0.00 H new ATOM 0 HG12 VAL A 133 1.009 -5.080 -2.901 1.00 0.00 H new ATOM 0 HG13 VAL A 133 0.474 -6.681 -3.466 1.00 0.00 H new ATOM 0 HG21 VAL A 133 1.234 -8.145 -0.858 1.00 0.00 H new ATOM 0 HG22 VAL A 133 1.611 -8.770 -2.481 1.00 0.00 H new ATOM 0 HG23 VAL A 133 2.914 -8.541 -1.291 1.00 0.00 H new ATOM 1519 N GLU A 134 4.613 -4.716 -3.122 1.00 0.00 N ATOM 1520 CA GLU A 134 5.739 -3.915 -2.676 1.00 0.00 C ATOM 1521 C GLU A 134 5.206 -2.730 -1.890 1.00 0.00 C ATOM 1522 O GLU A 134 4.493 -1.885 -2.433 1.00 0.00 O ATOM 1523 CB GLU A 134 6.575 -3.432 -3.857 1.00 0.00 C ATOM 1524 CG GLU A 134 7.262 -4.554 -4.618 1.00 0.00 C ATOM 1525 CD GLU A 134 6.529 -4.929 -5.891 1.00 0.00 C ATOM 1526 OE1 GLU A 134 7.204 -5.201 -6.906 1.00 0.00 O ATOM 1527 OE2 GLU A 134 5.280 -4.952 -5.872 1.00 0.00 O ATOM 0 H GLU A 134 3.944 -4.208 -3.701 1.00 0.00 H new ATOM 0 HA GLU A 134 6.386 -4.525 -2.045 1.00 0.00 H new ATOM 0 HB2 GLU A 134 5.933 -2.879 -4.543 1.00 0.00 H new ATOM 0 HB3 GLU A 134 7.330 -2.735 -3.495 1.00 0.00 H new ATOM 0 HG2 GLU A 134 8.279 -4.251 -4.865 1.00 0.00 H new ATOM 0 HG3 GLU A 134 7.338 -5.431 -3.975 1.00 0.00 H new ATOM 1534 N LEU A 135 5.515 -2.693 -0.605 1.00 0.00 N ATOM 1535 CA LEU A 135 5.016 -1.629 0.253 1.00 0.00 C ATOM 1536 C LEU A 135 6.043 -1.176 1.280 1.00 0.00 C ATOM 1537 O LEU A 135 6.924 -1.934 1.677 1.00 0.00 O ATOM 1538 CB LEU A 135 3.761 -2.113 0.981 1.00 0.00 C ATOM 1539 CG LEU A 135 3.945 -3.389 1.808 1.00 0.00 C ATOM 1540 CD1 LEU A 135 4.723 -3.097 3.081 1.00 0.00 C ATOM 1541 CD2 LEU A 135 2.595 -4.008 2.135 1.00 0.00 C ATOM 0 H LEU A 135 6.104 -3.380 -0.135 1.00 0.00 H new ATOM 0 HA LEU A 135 4.791 -0.775 -0.386 1.00 0.00 H new ATOM 0 HB2 LEU A 135 3.412 -1.318 1.640 1.00 0.00 H new ATOM 0 HB3 LEU A 135 2.976 -2.285 0.245 1.00 0.00 H new ATOM 0 HG LEU A 135 4.518 -4.103 1.216 1.00 0.00 H new ATOM 0 HD11 LEU A 135 4.842 -4.017 3.654 1.00 0.00 H new ATOM 0 HD12 LEU A 135 5.705 -2.699 2.824 1.00 0.00 H new ATOM 0 HD13 LEU A 135 4.180 -2.365 3.679 1.00 0.00 H new ATOM 0 HD21 LEU A 135 2.743 -4.914 2.723 1.00 0.00 H new ATOM 0 HD22 LEU A 135 1.998 -3.298 2.707 1.00 0.00 H new ATOM 0 HD23 LEU A 135 2.075 -4.257 1.210 1.00 0.00 H new ATOM 1553 N ILE A 136 5.882 0.058 1.738 1.00 0.00 N ATOM 1554 CA ILE A 136 6.750 0.625 2.757 1.00 0.00 C ATOM 1555 C ILE A 136 5.963 0.736 4.051 1.00 0.00 C ATOM 1556 O ILE A 136 4.749 0.584 4.031 1.00 0.00 O ATOM 1557 CB ILE A 136 7.269 2.017 2.354 1.00 0.00 C ATOM 1558 CG1 ILE A 136 7.785 2.001 0.913 1.00 0.00 C ATOM 1559 CG2 ILE A 136 8.357 2.469 3.310 1.00 0.00 C ATOM 1560 CD1 ILE A 136 6.894 2.749 -0.052 1.00 0.00 C ATOM 0 H ILE A 136 5.150 0.690 1.415 1.00 0.00 H new ATOM 0 HA ILE A 136 7.614 -0.027 2.880 1.00 0.00 H new ATOM 0 HB ILE A 136 6.444 2.727 2.411 1.00 0.00 H new ATOM 0 HG12 ILE A 136 8.783 2.438 0.888 1.00 0.00 H new ATOM 0 HG13 ILE A 136 7.881 0.967 0.581 1.00 0.00 H new ATOM 0 HG21 ILE A 136 8.715 3.455 3.014 1.00 0.00 H new ATOM 0 HG22 ILE A 136 7.955 2.518 4.322 1.00 0.00 H new ATOM 0 HG23 ILE A 136 9.184 1.759 3.282 1.00 0.00 H new ATOM 0 HD11 ILE A 136 7.319 2.697 -1.054 1.00 0.00 H new ATOM 0 HD12 ILE A 136 5.902 2.298 -0.055 1.00 0.00 H new ATOM 0 HD13 ILE A 136 6.818 3.792 0.257 1.00 0.00 H new ATOM 1572 N HIS A 137 6.632 0.981 5.172 1.00 0.00 N ATOM 1573 CA HIS A 137 5.932 1.081 6.449 1.00 0.00 C ATOM 1574 C HIS A 137 5.913 2.514 6.962 1.00 0.00 C ATOM 1575 O HIS A 137 6.957 3.110 7.220 1.00 0.00 O ATOM 1576 CB HIS A 137 6.569 0.136 7.464 1.00 0.00 C ATOM 1577 CG HIS A 137 6.738 -1.250 6.921 1.00 0.00 C ATOM 1578 ND1 HIS A 137 6.198 -2.372 7.513 1.00 0.00 N ATOM 1579 CD2 HIS A 137 7.367 -1.684 5.805 1.00 0.00 C ATOM 1580 CE1 HIS A 137 6.489 -3.436 6.781 1.00 0.00 C ATOM 1581 NE2 HIS A 137 7.198 -3.043 5.741 1.00 0.00 N ATOM 0 H HIS A 137 7.642 1.112 5.225 1.00 0.00 H new ATOM 0 HA HIS A 137 4.894 0.783 6.300 1.00 0.00 H new ATOM 0 HB2 HIS A 137 7.541 0.528 7.762 1.00 0.00 H new ATOM 0 HB3 HIS A 137 5.951 0.100 8.361 1.00 0.00 H new ATOM 0 HD2 HIS A 137 7.904 -1.072 5.095 1.00 0.00 H new ATOM 0 HE1 HIS A 137 6.196 -4.452 6.999 1.00 0.00 H new ATOM 0 HE2 HIS A 137 7.562 -3.652 5.008 1.00 0.00 H new ATOM 1590 N THR A 138 4.708 3.066 7.096 1.00 0.00 N ATOM 1591 CA THR A 138 4.538 4.434 7.565 1.00 0.00 C ATOM 1592 C THR A 138 4.503 4.486 9.089 1.00 0.00 C ATOM 1593 O THR A 138 4.927 3.546 9.761 1.00 0.00 O ATOM 1594 CB THR A 138 3.242 5.019 7.001 1.00 0.00 C ATOM 1595 OG1 THR A 138 2.133 4.610 7.782 1.00 0.00 O ATOM 1596 CG2 THR A 138 2.963 4.617 5.568 1.00 0.00 C ATOM 0 H THR A 138 3.835 2.583 6.885 1.00 0.00 H new ATOM 0 HA THR A 138 5.387 5.023 7.218 1.00 0.00 H new ATOM 0 HB THR A 138 3.380 6.100 7.031 1.00 0.00 H new ATOM 0 HG1 THR A 138 1.634 3.916 7.303 1.00 0.00 H new ATOM 0 HG21 THR A 138 2.028 5.070 5.238 1.00 0.00 H new ATOM 0 HG22 THR A 138 3.777 4.959 4.929 1.00 0.00 H new ATOM 0 HG23 THR A 138 2.883 3.532 5.504 1.00 0.00 H new ATOM 1604 N ASP A 139 3.972 5.580 9.628 1.00 0.00 N ATOM 1605 CA ASP A 139 3.857 5.735 11.071 1.00 0.00 C ATOM 1606 C ASP A 139 2.636 4.972 11.570 1.00 0.00 C ATOM 1607 O ASP A 139 2.532 4.636 12.750 1.00 0.00 O ATOM 1608 CB ASP A 139 3.745 7.215 11.443 1.00 0.00 C ATOM 1609 CG ASP A 139 3.946 7.454 12.927 1.00 0.00 C ATOM 1610 OD1 ASP A 139 4.597 6.612 13.580 1.00 0.00 O ATOM 1611 OD2 ASP A 139 3.453 8.483 13.435 1.00 0.00 O ATOM 0 H ASP A 139 3.616 6.369 9.088 1.00 0.00 H new ATOM 0 HA ASP A 139 4.752 5.330 11.544 1.00 0.00 H new ATOM 0 HB2 ASP A 139 4.486 7.785 10.882 1.00 0.00 H new ATOM 0 HB3 ASP A 139 2.765 7.588 11.147 1.00 0.00 H new ATOM 1616 N SER A 140 1.718 4.695 10.647 1.00 0.00 N ATOM 1617 CA SER A 140 0.499 3.963 10.959 1.00 0.00 C ATOM 1618 C SER A 140 0.575 2.546 10.403 1.00 0.00 C ATOM 1619 O SER A 140 0.736 1.578 11.146 1.00 0.00 O ATOM 1620 CB SER A 140 -0.713 4.688 10.370 1.00 0.00 C ATOM 1621 OG SER A 140 -0.619 4.776 8.956 1.00 0.00 O ATOM 0 H SER A 140 1.800 4.971 9.668 1.00 0.00 H new ATOM 0 HA SER A 140 0.392 3.910 12.042 1.00 0.00 H new ATOM 0 HB2 SER A 140 -1.626 4.159 10.645 1.00 0.00 H new ATOM 0 HB3 SER A 140 -0.784 5.689 10.796 1.00 0.00 H new ATOM 0 HG SER A 140 -1.516 4.731 8.565 1.00 0.00 H new ATOM 1627 N LEU A 141 0.467 2.443 9.086 1.00 0.00 N ATOM 1628 CA LEU A 141 0.531 1.163 8.397 1.00 0.00 C ATOM 1629 C LEU A 141 1.371 1.291 7.134 1.00 0.00 C ATOM 1630 O LEU A 141 1.737 2.396 6.733 1.00 0.00 O ATOM 1631 CB LEU A 141 -0.875 0.673 8.044 1.00 0.00 C ATOM 1632 CG LEU A 141 -1.868 1.768 7.650 1.00 0.00 C ATOM 1633 CD1 LEU A 141 -1.630 2.210 6.213 1.00 0.00 C ATOM 1634 CD2 LEU A 141 -3.297 1.281 7.830 1.00 0.00 C ATOM 0 H LEU A 141 0.333 3.242 8.467 1.00 0.00 H new ATOM 0 HA LEU A 141 0.996 0.435 9.061 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -0.798 -0.038 7.222 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -1.278 0.130 8.899 1.00 0.00 H new ATOM 0 HG LEU A 141 -1.713 2.626 8.304 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -2.345 2.989 5.949 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -0.616 2.599 6.115 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -1.758 1.359 5.545 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -3.990 2.073 7.545 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -3.466 0.407 7.200 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -3.461 1.013 8.874 1.00 0.00 H new ATOM 1646 N PRO A 142 1.720 0.167 6.497 1.00 0.00 N ATOM 1647 CA PRO A 142 2.535 0.176 5.290 1.00 0.00 C ATOM 1648 C PRO A 142 1.748 0.582 4.048 1.00 0.00 C ATOM 1649 O PRO A 142 0.645 0.091 3.807 1.00 0.00 O ATOM 1650 CB PRO A 142 3.026 -1.275 5.162 1.00 0.00 C ATOM 1651 CG PRO A 142 2.587 -1.961 6.413 1.00 0.00 C ATOM 1652 CD PRO A 142 1.389 -1.199 6.904 1.00 0.00 C ATOM 0 HA PRO A 142 3.342 0.906 5.363 1.00 0.00 H new ATOM 0 HB2 PRO A 142 2.600 -1.756 4.281 1.00 0.00 H new ATOM 0 HB3 PRO A 142 4.110 -1.314 5.054 1.00 0.00 H new ATOM 0 HG2 PRO A 142 2.334 -3.003 6.218 1.00 0.00 H new ATOM 0 HG3 PRO A 142 3.382 -1.960 7.158 1.00 0.00 H new ATOM 0 HD2 PRO A 142 0.464 -1.550 6.446 1.00 0.00 H new ATOM 0 HD3 PRO A 142 1.263 -1.286 7.983 1.00 0.00 H new ATOM 1660 N LEU A 143 2.337 1.473 3.258 1.00 0.00 N ATOM 1661 CA LEU A 143 1.714 1.943 2.025 1.00 0.00 C ATOM 1662 C LEU A 143 2.187 1.109 0.846 1.00 0.00 C ATOM 1663 O LEU A 143 3.382 1.049 0.556 1.00 0.00 O ATOM 1664 CB LEU A 143 2.053 3.415 1.779 1.00 0.00 C ATOM 1665 CG LEU A 143 1.156 4.140 0.767 1.00 0.00 C ATOM 1666 CD1 LEU A 143 1.351 3.597 -0.642 1.00 0.00 C ATOM 1667 CD2 LEU A 143 -0.295 4.020 1.164 1.00 0.00 C ATOM 0 H LEU A 143 3.249 1.886 3.450 1.00 0.00 H new ATOM 0 HA LEU A 143 0.634 1.841 2.128 1.00 0.00 H new ATOM 0 HB2 LEU A 143 2.001 3.945 2.730 1.00 0.00 H new ATOM 0 HB3 LEU A 143 3.085 3.479 1.435 1.00 0.00 H new ATOM 0 HG LEU A 143 1.444 5.191 0.770 1.00 0.00 H new ATOM 0 HD11 LEU A 143 0.700 4.134 -1.332 1.00 0.00 H new ATOM 0 HD12 LEU A 143 2.390 3.732 -0.944 1.00 0.00 H new ATOM 0 HD13 LEU A 143 1.103 2.536 -0.660 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -0.916 4.540 0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -0.578 2.968 1.196 1.00 0.00 H new ATOM 0 HD23 LEU A 143 -0.441 4.465 2.148 1.00 0.00 H new ATOM 1679 N VAL A 144 1.247 0.470 0.167 1.00 0.00 N ATOM 1680 CA VAL A 144 1.579 -0.356 -0.983 1.00 0.00 C ATOM 1681 C VAL A 144 1.820 0.512 -2.214 1.00 0.00 C ATOM 1682 O VAL A 144 0.881 1.004 -2.838 1.00 0.00 O ATOM 1683 CB VAL A 144 0.473 -1.392 -1.267 1.00 0.00 C ATOM 1684 CG1 VAL A 144 0.971 -2.453 -2.237 1.00 0.00 C ATOM 1685 CG2 VAL A 144 -0.011 -2.033 0.030 1.00 0.00 C ATOM 0 H VAL A 144 0.253 0.507 0.391 1.00 0.00 H new ATOM 0 HA VAL A 144 2.496 -0.897 -0.750 1.00 0.00 H new ATOM 0 HB VAL A 144 -0.370 -0.876 -1.727 1.00 0.00 H new ATOM 0 HG11 VAL A 144 0.177 -3.175 -2.425 1.00 0.00 H new ATOM 0 HG12 VAL A 144 1.262 -1.980 -3.175 1.00 0.00 H new ATOM 0 HG13 VAL A 144 1.832 -2.964 -1.806 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -0.791 -2.761 -0.193 1.00 0.00 H new ATOM 0 HG22 VAL A 144 0.823 -2.534 0.522 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -0.411 -1.263 0.689 1.00 0.00 H new ATOM 1695 N ILE A 145 3.097 0.717 -2.535 1.00 0.00 N ATOM 1696 CA ILE A 145 3.484 1.550 -3.670 1.00 0.00 C ATOM 1697 C ILE A 145 3.380 0.812 -4.999 1.00 0.00 C ATOM 1698 O ILE A 145 3.250 1.440 -6.050 1.00 0.00 O ATOM 1699 CB ILE A 145 4.920 2.085 -3.506 1.00 0.00 C ATOM 1700 CG1 ILE A 145 5.909 0.930 -3.320 1.00 0.00 C ATOM 1701 CG2 ILE A 145 4.991 3.048 -2.333 1.00 0.00 C ATOM 1702 CD1 ILE A 145 7.009 0.903 -4.358 1.00 0.00 C ATOM 0 H ILE A 145 3.882 0.316 -2.022 1.00 0.00 H new ATOM 0 HA ILE A 145 2.780 2.382 -3.684 1.00 0.00 H new ATOM 0 HB ILE A 145 5.196 2.623 -4.413 1.00 0.00 H new ATOM 0 HG12 ILE A 145 6.357 1.002 -2.329 1.00 0.00 H new ATOM 0 HG13 ILE A 145 5.364 -0.013 -3.355 1.00 0.00 H new ATOM 0 HG21 ILE A 145 6.011 3.419 -2.228 1.00 0.00 H new ATOM 0 HG22 ILE A 145 4.316 3.886 -2.509 1.00 0.00 H new ATOM 0 HG23 ILE A 145 4.697 2.531 -1.420 1.00 0.00 H new ATOM 0 HD11 ILE A 145 7.672 0.059 -4.164 1.00 0.00 H new ATOM 0 HD12 ILE A 145 6.570 0.799 -5.350 1.00 0.00 H new ATOM 0 HD13 ILE A 145 7.579 1.831 -4.308 1.00 0.00 H new ATOM 1714 N SER A 146 3.436 -0.515 -4.962 1.00 0.00 N ATOM 1715 CA SER A 146 3.345 -1.297 -6.191 1.00 0.00 C ATOM 1716 C SER A 146 2.643 -2.631 -5.961 1.00 0.00 C ATOM 1717 O SER A 146 2.580 -3.132 -4.837 1.00 0.00 O ATOM 1718 CB SER A 146 4.737 -1.532 -6.780 1.00 0.00 C ATOM 1719 OG SER A 146 5.725 -0.802 -6.073 1.00 0.00 O ATOM 0 H SER A 146 3.542 -1.065 -4.110 1.00 0.00 H new ATOM 0 HA SER A 146 2.748 -0.723 -6.900 1.00 0.00 H new ATOM 0 HB2 SER A 146 4.974 -2.595 -6.746 1.00 0.00 H new ATOM 0 HB3 SER A 146 4.745 -1.237 -7.829 1.00 0.00 H new ATOM 0 HG SER A 146 6.524 -0.707 -6.632 1.00 0.00 H new ATOM 1725 N LEU A 147 2.124 -3.202 -7.045 1.00 0.00 N ATOM 1726 CA LEU A 147 1.429 -4.478 -6.990 1.00 0.00 C ATOM 1727 C LEU A 147 1.716 -5.276 -8.254 1.00 0.00 C ATOM 1728 O LEU A 147 2.141 -4.719 -9.264 1.00 0.00 O ATOM 1729 CB LEU A 147 -0.079 -4.255 -6.841 1.00 0.00 C ATOM 1730 CG LEU A 147 -0.793 -5.223 -5.894 1.00 0.00 C ATOM 1731 CD1 LEU A 147 -0.876 -4.632 -4.495 1.00 0.00 C ATOM 1732 CD2 LEU A 147 -2.182 -5.554 -6.415 1.00 0.00 C ATOM 0 H LEU A 147 2.174 -2.794 -7.978 1.00 0.00 H new ATOM 0 HA LEU A 147 1.786 -5.038 -6.125 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -0.246 -3.237 -6.488 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -0.540 -4.330 -7.826 1.00 0.00 H new ATOM 0 HG LEU A 147 -0.216 -6.146 -5.846 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -1.386 -5.332 -3.834 1.00 0.00 H new ATOM 0 HD12 LEU A 147 0.130 -4.445 -4.119 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -1.431 -3.694 -4.528 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -2.673 -6.243 -5.728 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -2.769 -4.639 -6.493 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -2.101 -6.018 -7.398 1.00 0.00 H new ATOM 1744 N ASN A 148 1.494 -6.582 -8.192 1.00 0.00 N ATOM 1745 CA ASN A 148 1.744 -7.453 -9.337 1.00 0.00 C ATOM 1746 C ASN A 148 1.208 -6.864 -10.644 1.00 0.00 C ATOM 1747 O ASN A 148 0.025 -6.990 -10.951 1.00 0.00 O ATOM 1748 CB ASN A 148 1.076 -8.805 -9.099 1.00 0.00 C ATOM 1749 CG ASN A 148 -0.352 -8.649 -8.611 1.00 0.00 C ATOM 1750 OD1 ASN A 148 -0.611 -7.946 -7.634 1.00 0.00 O ATOM 1751 ND2 ASN A 148 -1.290 -9.294 -9.292 1.00 0.00 N ATOM 0 H ASN A 148 1.142 -7.063 -7.364 1.00 0.00 H new ATOM 0 HA ASN A 148 2.824 -7.561 -9.434 1.00 0.00 H new ATOM 0 HB2 ASN A 148 1.083 -9.382 -10.024 1.00 0.00 H new ATOM 0 HB3 ASN A 148 1.651 -9.371 -8.366 1.00 0.00 H new ATOM 0 HD21 ASN A 148 -2.268 -9.217 -9.011 1.00 0.00 H new ATOM 0 HD22 ASN A 148 -1.034 -9.867 -10.096 1.00 0.00 H new ATOM 1758 N GLY A 149 2.098 -6.264 -11.431 1.00 0.00 N ATOM 1759 CA GLY A 149 1.706 -5.709 -12.718 1.00 0.00 C ATOM 1760 C GLY A 149 1.010 -4.360 -12.634 1.00 0.00 C ATOM 1761 O GLY A 149 0.277 -3.984 -13.548 1.00 0.00 O ATOM 0 H GLY A 149 3.085 -6.152 -11.201 1.00 0.00 H new ATOM 0 HA2 GLY A 149 2.594 -5.608 -13.342 1.00 0.00 H new ATOM 0 HA3 GLY A 149 1.044 -6.416 -13.218 1.00 0.00 H new ATOM 1765 N HIS A 150 1.243 -3.622 -11.555 1.00 0.00 N ATOM 1766 CA HIS A 150 0.630 -2.303 -11.391 1.00 0.00 C ATOM 1767 C HIS A 150 1.448 -1.445 -10.440 1.00 0.00 C ATOM 1768 O HIS A 150 2.223 -1.960 -9.634 1.00 0.00 O ATOM 1769 CB HIS A 150 -0.805 -2.420 -10.872 1.00 0.00 C ATOM 1770 CG HIS A 150 -1.562 -3.565 -11.460 1.00 0.00 C ATOM 1771 ND1 HIS A 150 -2.377 -3.448 -12.567 1.00 0.00 N ATOM 1772 CD2 HIS A 150 -1.614 -4.861 -11.091 1.00 0.00 C ATOM 1773 CE1 HIS A 150 -2.899 -4.628 -12.851 1.00 0.00 C ATOM 1774 NE2 HIS A 150 -2.450 -5.504 -11.971 1.00 0.00 N ATOM 0 H HIS A 150 1.847 -3.909 -10.784 1.00 0.00 H new ATOM 0 HA HIS A 150 0.608 -1.828 -12.372 1.00 0.00 H new ATOM 0 HB2 HIS A 150 -0.783 -2.529 -9.788 1.00 0.00 H new ATOM 0 HB3 HIS A 150 -1.337 -1.494 -11.089 1.00 0.00 H new ATOM 0 HD2 HIS A 150 -1.094 -5.310 -10.258 1.00 0.00 H new ATOM 0 HE1 HIS A 150 -3.577 -4.840 -13.664 1.00 0.00 H new ATOM 0 HE2 HIS A 150 -2.685 -6.496 -11.948 1.00 0.00 H new ATOM 1783 N THR A 151 1.275 -0.132 -10.539 1.00 0.00 N ATOM 1784 CA THR A 151 2.008 0.791 -9.688 1.00 0.00 C ATOM 1785 C THR A 151 1.156 1.996 -9.304 1.00 0.00 C ATOM 1786 O THR A 151 0.240 2.384 -10.028 1.00 0.00 O ATOM 1787 CB THR A 151 3.283 1.248 -10.390 1.00 0.00 C ATOM 1788 OG1 THR A 151 2.989 2.202 -11.396 1.00 0.00 O ATOM 1789 CG2 THR A 151 4.044 0.110 -11.038 1.00 0.00 C ATOM 0 H THR A 151 0.636 0.314 -11.198 1.00 0.00 H new ATOM 0 HA THR A 151 2.271 0.265 -8.770 1.00 0.00 H new ATOM 0 HB THR A 151 3.906 1.683 -9.609 1.00 0.00 H new ATOM 0 HG1 THR A 151 3.820 2.483 -11.833 1.00 0.00 H new ATOM 0 HG21 THR A 151 4.940 0.500 -11.520 1.00 0.00 H new ATOM 0 HG22 THR A 151 4.328 -0.617 -10.277 1.00 0.00 H new ATOM 0 HG23 THR A 151 3.412 -0.373 -11.783 1.00 0.00 H new ATOM 1797 N LEU A 152 1.466 2.570 -8.146 1.00 0.00 N ATOM 1798 CA LEU A 152 0.738 3.724 -7.632 1.00 0.00 C ATOM 1799 C LEU A 152 0.866 4.922 -8.563 1.00 0.00 C ATOM 1800 O LEU A 152 -0.101 5.647 -8.798 1.00 0.00 O ATOM 1801 CB LEU A 152 1.259 4.083 -6.241 1.00 0.00 C ATOM 1802 CG LEU A 152 0.341 3.692 -5.085 1.00 0.00 C ATOM 1803 CD1 LEU A 152 0.981 4.043 -3.751 1.00 0.00 C ATOM 1804 CD2 LEU A 152 -1.005 4.379 -5.229 1.00 0.00 C ATOM 0 H LEU A 152 2.223 2.251 -7.542 1.00 0.00 H new ATOM 0 HA LEU A 152 -0.318 3.461 -7.571 1.00 0.00 H new ATOM 0 HB2 LEU A 152 2.226 3.600 -6.096 1.00 0.00 H new ATOM 0 HB3 LEU A 152 1.431 5.159 -6.201 1.00 0.00 H new ATOM 0 HG LEU A 152 0.186 2.614 -5.114 1.00 0.00 H new ATOM 0 HD11 LEU A 152 0.312 3.757 -2.940 1.00 0.00 H new ATOM 0 HD12 LEU A 152 1.925 3.508 -3.648 1.00 0.00 H new ATOM 0 HD13 LEU A 152 1.166 5.116 -3.707 1.00 0.00 H new ATOM 0 HD21 LEU A 152 -1.651 4.092 -4.399 1.00 0.00 H new ATOM 0 HD22 LEU A 152 -0.864 5.460 -5.223 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -1.468 4.079 -6.169 1.00 0.00 H new