USER MOD reduce.3.24.130724 H: found=0, std=0, add=625, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 623 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 87 MET CE :methyl -159:sc= 0 (180deg=-0.0973) USER MOD Set 1.2: A 125 ASN : amide:sc= -0.0111 K(o=-0.011,f=-1.5) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HE2:sc= -4.87! C(o=-4.9!,f=-13!) USER MOD Single : A 85 SER OG : rot -108:sc= -0.451 USER MOD Single : A 90 THR OG1 : rot 130:sc= 0.49 USER MOD Single : A 92 TYR OH : rot -166:sc= 0.854 USER MOD Single : A 94 THR OG1 : rot 45:sc= 0.0407 USER MOD Single : A 96 SER OG : rot 180:sc= -0.695 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -4.03! C(o=-4!,f=-5.2!) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 CYS SG : rot -150:sc= -2.93! USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 126 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot 180:sc= -0.284 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 SER OG : rot 150:sc= 0.00933 USER MOD Single : A 144 GLN : amide:sc= -3.62! C(o=-3.6!,f=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 75 -4.904 24.974 1.861 1.00 0.00 N ATOM 2 CA ALA A 75 -5.253 23.787 1.090 1.00 0.00 C ATOM 3 C ALA A 75 -6.356 22.990 1.777 1.00 0.00 C ATOM 4 O ALA A 75 -6.284 22.717 2.976 1.00 0.00 O ATOM 5 CB ALA A 75 -4.024 22.916 0.879 1.00 0.00 C ATOM 0 HA ALA A 75 -5.627 24.112 0.119 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.299 22.033 0.302 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -3.266 23.482 0.338 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.626 22.608 1.846 1.00 0.00 H new ATOM 11 N ALA A 76 -7.376 22.620 1.010 1.00 0.00 N ATOM 12 CA ALA A 76 -8.495 21.854 1.544 1.00 0.00 C ATOM 13 C ALA A 76 -8.440 20.404 1.075 1.00 0.00 C ATOM 14 O ALA A 76 -7.500 19.997 0.391 1.00 0.00 O ATOM 15 CB ALA A 76 -9.815 22.491 1.134 1.00 0.00 C ATOM 0 H ALA A 76 -7.450 22.838 0.016 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.422 21.862 2.632 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -10.642 21.908 1.540 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.864 23.509 1.521 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -9.886 22.513 0.047 1.00 0.00 H new ATOM 21 N GLU A 77 -9.451 19.627 1.449 1.00 0.00 N ATOM 22 CA GLU A 77 -9.517 18.221 1.068 1.00 0.00 C ATOM 23 C GLU A 77 -9.082 18.029 -0.382 1.00 0.00 C ATOM 24 O GLU A 77 -9.257 18.919 -1.215 1.00 0.00 O ATOM 25 CB GLU A 77 -10.937 17.684 1.260 1.00 0.00 C ATOM 26 CG GLU A 77 -12.014 18.743 1.095 1.00 0.00 C ATOM 27 CD GLU A 77 -13.358 18.154 0.716 1.00 0.00 C ATOM 28 OE1 GLU A 77 -13.437 17.486 -0.337 1.00 0.00 O ATOM 29 OE2 GLU A 77 -14.331 18.360 1.471 1.00 0.00 O ATOM 0 H GLU A 77 -10.236 19.947 2.016 1.00 0.00 H new ATOM 0 HA GLU A 77 -8.835 17.665 1.711 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.114 16.883 0.542 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -11.019 17.245 2.254 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.116 19.301 2.026 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -11.704 19.454 0.329 1.00 0.00 H new ATOM 36 N ILE A 78 -8.515 16.863 -0.677 1.00 0.00 N ATOM 37 CA ILE A 78 -8.055 16.557 -2.025 1.00 0.00 C ATOM 38 C ILE A 78 -8.867 15.420 -2.637 1.00 0.00 C ATOM 39 O ILE A 78 -8.416 14.752 -3.567 1.00 0.00 O ATOM 40 CB ILE A 78 -6.564 16.171 -2.039 1.00 0.00 C ATOM 41 CG1 ILE A 78 -5.806 16.937 -0.954 1.00 0.00 C ATOM 42 CG2 ILE A 78 -5.959 16.442 -3.408 1.00 0.00 C ATOM 43 CD1 ILE A 78 -5.673 16.172 0.345 1.00 0.00 C ATOM 0 H ILE A 78 -8.364 16.115 0.000 1.00 0.00 H new ATOM 0 HA ILE A 78 -8.193 17.461 -2.618 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.478 15.104 -1.831 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.811 17.185 -1.324 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.318 17.879 -0.761 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.905 16.164 -3.402 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.485 15.855 -4.161 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.053 17.502 -3.644 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.125 16.776 1.068 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.665 15.947 0.738 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -5.134 15.242 0.166 1.00 0.00 H new ATOM 55 N SER A 79 -10.068 15.207 -2.108 1.00 0.00 N ATOM 56 CA SER A 79 -10.946 14.152 -2.601 1.00 0.00 C ATOM 57 C SER A 79 -10.142 12.926 -3.024 1.00 0.00 C ATOM 58 O SER A 79 -10.403 12.331 -4.069 1.00 0.00 O ATOM 59 CB SER A 79 -11.779 14.663 -3.778 1.00 0.00 C ATOM 60 OG SER A 79 -11.642 16.065 -3.929 1.00 0.00 O ATOM 0 H SER A 79 -10.455 15.752 -1.337 1.00 0.00 H new ATOM 0 HA SER A 79 -11.614 13.862 -1.791 1.00 0.00 H new ATOM 0 HB2 SER A 79 -11.465 14.163 -4.694 1.00 0.00 H new ATOM 0 HB3 SER A 79 -12.828 14.412 -3.621 1.00 0.00 H new ATOM 0 HG SER A 79 -12.183 16.367 -4.689 1.00 0.00 H new ATOM 66 N GLY A 80 -9.163 12.556 -2.204 1.00 0.00 N ATOM 67 CA GLY A 80 -8.336 11.403 -2.511 1.00 0.00 C ATOM 68 C GLY A 80 -8.043 10.558 -1.287 1.00 0.00 C ATOM 69 O GLY A 80 -8.726 10.670 -0.269 1.00 0.00 O ATOM 0 H GLY A 80 -8.928 13.033 -1.334 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.836 10.790 -3.261 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.397 11.740 -2.950 1.00 0.00 H new ATOM 73 N HIS A 81 -7.023 9.711 -1.386 1.00 0.00 N ATOM 74 CA HIS A 81 -6.641 8.844 -0.278 1.00 0.00 C ATOM 75 C HIS A 81 -5.559 7.860 -0.708 1.00 0.00 C ATOM 76 O HIS A 81 -5.849 6.715 -1.053 1.00 0.00 O ATOM 77 CB HIS A 81 -7.857 8.078 0.243 1.00 0.00 C ATOM 78 CG HIS A 81 -7.526 7.092 1.320 1.00 0.00 C ATOM 79 ND1 HIS A 81 -6.663 6.030 1.133 1.00 0.00 N ATOM 80 CD2 HIS A 81 -7.944 7.010 2.605 1.00 0.00 C ATOM 81 CE1 HIS A 81 -6.568 5.339 2.255 1.00 0.00 C ATOM 82 NE2 HIS A 81 -7.335 5.914 3.164 1.00 0.00 N ATOM 0 H HIS A 81 -6.447 9.607 -2.221 1.00 0.00 H new ATOM 0 HA HIS A 81 -6.245 9.472 0.520 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -8.588 8.790 0.626 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -8.328 7.552 -0.587 1.00 0.00 H new ATOM 0 HD1 HIS A 81 -6.175 5.813 0.264 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -8.630 7.682 3.099 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -5.966 4.455 2.404 1.00 0.00 H new ATOM 91 N ILE A 82 -4.310 8.313 -0.686 1.00 0.00 N ATOM 92 CA ILE A 82 -3.190 7.468 -1.074 1.00 0.00 C ATOM 93 C ILE A 82 -2.223 7.266 0.083 1.00 0.00 C ATOM 94 O ILE A 82 -2.093 8.121 0.959 1.00 0.00 O ATOM 95 CB ILE A 82 -2.426 8.060 -2.271 1.00 0.00 C ATOM 96 CG1 ILE A 82 -3.393 8.793 -3.191 1.00 0.00 C ATOM 97 CG2 ILE A 82 -1.696 6.963 -3.033 1.00 0.00 C ATOM 98 CD1 ILE A 82 -2.781 9.209 -4.511 1.00 0.00 C ATOM 0 H ILE A 82 -4.050 9.258 -0.404 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.610 6.504 -1.362 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.686 8.769 -1.900 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.252 8.151 -3.385 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -3.767 9.680 -2.679 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.161 7.400 -3.876 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -0.986 6.470 -2.369 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.417 6.233 -3.400 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.529 9.725 -5.112 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.939 9.877 -4.327 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.433 8.325 -5.045 1.00 0.00 H new ATOM 110 N VAL A 83 -1.551 6.125 0.075 1.00 0.00 N ATOM 111 CA VAL A 83 -0.590 5.794 1.121 1.00 0.00 C ATOM 112 C VAL A 83 0.827 6.169 0.705 1.00 0.00 C ATOM 113 O VAL A 83 1.783 5.455 1.007 1.00 0.00 O ATOM 114 CB VAL A 83 -0.629 4.293 1.467 1.00 0.00 C ATOM 115 CG1 VAL A 83 0.217 4.006 2.697 1.00 0.00 C ATOM 116 CG2 VAL A 83 -2.063 3.831 1.676 1.00 0.00 C ATOM 0 H VAL A 83 -1.652 5.410 -0.645 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.873 6.370 2.002 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.210 3.735 0.630 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.177 2.941 2.926 1.00 0.00 H new ATOM 0 HG12 VAL A 83 1.250 4.297 2.504 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.168 4.574 3.544 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.071 2.769 1.919 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.511 4.394 2.495 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.636 3.999 0.764 1.00 0.00 H new ATOM 126 N ARG A 84 0.957 7.295 0.011 1.00 0.00 N ATOM 127 CA ARG A 84 2.260 7.765 -0.444 1.00 0.00 C ATOM 128 C ARG A 84 3.331 7.476 0.599 1.00 0.00 C ATOM 129 O ARG A 84 3.185 7.830 1.769 1.00 0.00 O ATOM 130 CB ARG A 84 2.210 9.265 -0.742 1.00 0.00 C ATOM 131 CG ARG A 84 1.412 10.062 0.277 1.00 0.00 C ATOM 132 CD ARG A 84 1.418 11.547 -0.048 1.00 0.00 C ATOM 133 NE ARG A 84 0.364 12.265 0.661 1.00 0.00 N ATOM 134 CZ ARG A 84 0.423 12.570 1.953 1.00 0.00 C ATOM 135 NH1 ARG A 84 1.482 12.223 2.672 1.00 0.00 N ATOM 136 NH2 ARG A 84 -0.577 13.223 2.529 1.00 0.00 N ATOM 0 H ARG A 84 0.177 7.898 -0.248 1.00 0.00 H new ATOM 0 HA ARG A 84 2.514 7.231 -1.359 1.00 0.00 H new ATOM 0 HB2 ARG A 84 3.228 9.654 -0.778 1.00 0.00 H new ATOM 0 HB3 ARG A 84 1.775 9.416 -1.730 1.00 0.00 H new ATOM 0 HG2 ARG A 84 0.385 9.698 0.301 1.00 0.00 H new ATOM 0 HG3 ARG A 84 1.830 9.905 1.271 1.00 0.00 H new ATOM 0 HD2 ARG A 84 2.387 11.972 0.215 1.00 0.00 H new ATOM 0 HD3 ARG A 84 1.291 11.684 -1.122 1.00 0.00 H new ATOM 0 HE ARG A 84 -0.463 12.548 0.136 1.00 0.00 H new ATOM 0 HH11 ARG A 84 2.254 11.721 2.233 1.00 0.00 H new ATOM 0 HH12 ARG A 84 1.525 12.458 3.664 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -1.394 13.492 1.980 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -0.530 13.456 3.521 1.00 0.00 H new ATOM 150 N SER A 85 4.409 6.831 0.168 1.00 0.00 N ATOM 151 CA SER A 85 5.505 6.496 1.067 1.00 0.00 C ATOM 152 C SER A 85 5.864 7.688 1.948 1.00 0.00 C ATOM 153 O SER A 85 6.415 8.679 1.473 1.00 0.00 O ATOM 154 CB SER A 85 6.731 6.048 0.269 1.00 0.00 C ATOM 155 OG SER A 85 7.320 4.895 0.845 1.00 0.00 O ATOM 0 H SER A 85 4.547 6.530 -0.797 1.00 0.00 H new ATOM 0 HA SER A 85 5.181 5.676 1.707 1.00 0.00 H new ATOM 0 HB2 SER A 85 6.442 5.837 -0.760 1.00 0.00 H new ATOM 0 HB3 SER A 85 7.462 6.856 0.235 1.00 0.00 H new ATOM 0 HG SER A 85 8.171 5.138 1.266 1.00 0.00 H new ATOM 161 N PRO A 86 5.551 7.604 3.250 1.00 0.00 N ATOM 162 CA PRO A 86 5.839 8.678 4.205 1.00 0.00 C ATOM 163 C PRO A 86 7.334 8.959 4.320 1.00 0.00 C ATOM 164 O PRO A 86 7.745 9.974 4.883 1.00 0.00 O ATOM 165 CB PRO A 86 5.293 8.144 5.536 1.00 0.00 C ATOM 166 CG PRO A 86 4.352 7.050 5.161 1.00 0.00 C ATOM 167 CD PRO A 86 4.888 6.459 3.890 1.00 0.00 C ATOM 0 HA PRO A 86 5.389 9.622 3.898 1.00 0.00 H new ATOM 0 HB2 PRO A 86 6.097 7.772 6.171 1.00 0.00 H new ATOM 0 HB3 PRO A 86 4.783 8.928 6.095 1.00 0.00 H new ATOM 0 HG2 PRO A 86 4.296 6.297 5.948 1.00 0.00 H new ATOM 0 HG3 PRO A 86 3.343 7.436 5.016 1.00 0.00 H new ATOM 0 HD2 PRO A 86 5.586 5.645 4.086 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.092 6.053 3.266 1.00 0.00 H new ATOM 175 N MET A 87 8.142 8.050 3.783 1.00 0.00 N ATOM 176 CA MET A 87 9.592 8.196 3.825 1.00 0.00 C ATOM 177 C MET A 87 10.239 7.532 2.614 1.00 0.00 C ATOM 178 O MET A 87 9.587 7.300 1.596 1.00 0.00 O ATOM 179 CB MET A 87 10.150 7.590 5.113 1.00 0.00 C ATOM 180 CG MET A 87 10.241 6.073 5.080 1.00 0.00 C ATOM 181 SD MET A 87 9.828 5.318 6.665 1.00 0.00 S ATOM 182 CE MET A 87 8.051 5.156 6.510 1.00 0.00 C ATOM 0 H MET A 87 7.817 7.205 3.314 1.00 0.00 H new ATOM 0 HA MET A 87 9.827 9.260 3.803 1.00 0.00 H new ATOM 0 HB2 MET A 87 11.142 8.002 5.299 1.00 0.00 H new ATOM 0 HB3 MET A 87 9.519 7.890 5.949 1.00 0.00 H new ATOM 0 HG2 MET A 87 9.569 5.689 4.313 1.00 0.00 H new ATOM 0 HG3 MET A 87 11.251 5.780 4.794 1.00 0.00 H new ATOM 0 HE1 MET A 87 7.606 5.065 7.501 1.00 0.00 H new ATOM 0 HE2 MET A 87 7.648 6.037 6.010 1.00 0.00 H new ATOM 0 HE3 MET A 87 7.816 4.267 5.924 1.00 0.00 H new ATOM 192 N VAL A 88 11.528 7.225 2.734 1.00 0.00 N ATOM 193 CA VAL A 88 12.263 6.585 1.651 1.00 0.00 C ATOM 194 C VAL A 88 12.234 5.066 1.790 1.00 0.00 C ATOM 195 O VAL A 88 13.133 4.471 2.383 1.00 0.00 O ATOM 196 CB VAL A 88 13.729 7.056 1.614 1.00 0.00 C ATOM 197 CG1 VAL A 88 13.826 8.464 1.047 1.00 0.00 C ATOM 198 CG2 VAL A 88 14.347 6.987 3.001 1.00 0.00 C ATOM 0 H VAL A 88 12.083 7.409 3.570 1.00 0.00 H new ATOM 0 HA VAL A 88 11.772 6.872 0.721 1.00 0.00 H new ATOM 0 HB VAL A 88 14.289 6.388 0.959 1.00 0.00 H new ATOM 0 HG11 VAL A 88 14.870 8.778 1.029 1.00 0.00 H new ATOM 0 HG12 VAL A 88 13.426 8.476 0.033 1.00 0.00 H new ATOM 0 HG13 VAL A 88 13.252 9.148 1.672 1.00 0.00 H new ATOM 0 HG21 VAL A 88 15.383 7.324 2.955 1.00 0.00 H new ATOM 0 HG22 VAL A 88 13.787 7.629 3.681 1.00 0.00 H new ATOM 0 HG23 VAL A 88 14.315 5.959 3.363 1.00 0.00 H new ATOM 208 N GLY A 89 11.196 4.445 1.239 1.00 0.00 N ATOM 209 CA GLY A 89 11.072 3.001 1.315 1.00 0.00 C ATOM 210 C GLY A 89 10.514 2.399 0.039 1.00 0.00 C ATOM 211 O GLY A 89 10.502 3.048 -1.007 1.00 0.00 O ATOM 0 H GLY A 89 10.440 4.915 0.742 1.00 0.00 H new ATOM 0 HA2 GLY A 89 12.050 2.566 1.521 1.00 0.00 H new ATOM 0 HA3 GLY A 89 10.424 2.739 2.151 1.00 0.00 H new ATOM 215 N THR A 90 10.051 1.156 0.126 1.00 0.00 N ATOM 216 CA THR A 90 9.488 0.467 -1.030 1.00 0.00 C ATOM 217 C THR A 90 8.037 0.072 -0.774 1.00 0.00 C ATOM 218 O THR A 90 7.662 -0.259 0.351 1.00 0.00 O ATOM 219 CB THR A 90 10.316 -0.775 -1.362 1.00 0.00 C ATOM 220 OG1 THR A 90 11.691 -0.447 -1.469 1.00 0.00 O ATOM 221 CG2 THR A 90 9.901 -1.443 -2.655 1.00 0.00 C ATOM 0 H THR A 90 10.055 0.605 0.985 1.00 0.00 H new ATOM 0 HA THR A 90 9.515 1.151 -1.878 1.00 0.00 H new ATOM 0 HB THR A 90 10.138 -1.469 -0.541 1.00 0.00 H new ATOM 0 HG1 THR A 90 12.219 -1.071 -0.928 1.00 0.00 H new ATOM 0 HG21 THR A 90 10.528 -2.317 -2.831 1.00 0.00 H new ATOM 0 HG22 THR A 90 8.858 -1.753 -2.586 1.00 0.00 H new ATOM 0 HG23 THR A 90 10.017 -0.741 -3.481 1.00 0.00 H new ATOM 229 N PHE A 91 7.223 0.114 -1.825 1.00 0.00 N ATOM 230 CA PHE A 91 5.812 -0.236 -1.714 1.00 0.00 C ATOM 231 C PHE A 91 5.552 -1.639 -2.253 1.00 0.00 C ATOM 232 O PHE A 91 6.217 -2.094 -3.187 1.00 0.00 O ATOM 233 CB PHE A 91 4.952 0.783 -2.465 1.00 0.00 C ATOM 234 CG PHE A 91 3.596 0.263 -2.850 1.00 0.00 C ATOM 235 CD1 PHE A 91 3.452 -0.602 -3.930 1.00 0.00 C ATOM 236 CD2 PHE A 91 2.462 0.633 -2.133 1.00 0.00 C ATOM 237 CE1 PHE A 91 2.205 -1.084 -4.289 1.00 0.00 C ATOM 238 CE2 PHE A 91 1.213 0.153 -2.488 1.00 0.00 C ATOM 239 CZ PHE A 91 1.084 -0.707 -3.567 1.00 0.00 C ATOM 0 H PHE A 91 7.517 0.387 -2.763 1.00 0.00 H new ATOM 0 HA PHE A 91 5.542 -0.220 -0.658 1.00 0.00 H new ATOM 0 HB2 PHE A 91 4.828 1.669 -1.843 1.00 0.00 H new ATOM 0 HB3 PHE A 91 5.480 1.097 -3.365 1.00 0.00 H new ATOM 0 HD1 PHE A 91 4.323 -0.901 -4.495 1.00 0.00 H new ATOM 0 HD2 PHE A 91 2.557 1.302 -1.290 1.00 0.00 H new ATOM 0 HE1 PHE A 91 2.106 -1.753 -5.131 1.00 0.00 H new ATOM 0 HE2 PHE A 91 0.340 0.448 -1.925 1.00 0.00 H new ATOM 0 HZ PHE A 91 0.110 -1.083 -3.845 1.00 0.00 H new ATOM 249 N TYR A 92 4.576 -2.320 -1.657 1.00 0.00 N ATOM 250 CA TYR A 92 4.216 -3.670 -2.070 1.00 0.00 C ATOM 251 C TYR A 92 2.708 -3.879 -1.988 1.00 0.00 C ATOM 252 O TYR A 92 1.990 -3.069 -1.402 1.00 0.00 O ATOM 253 CB TYR A 92 4.927 -4.701 -1.192 1.00 0.00 C ATOM 254 CG TYR A 92 6.432 -4.657 -1.310 1.00 0.00 C ATOM 255 CD1 TYR A 92 7.042 -4.446 -2.543 1.00 0.00 C ATOM 256 CD2 TYR A 92 7.243 -4.825 -0.189 1.00 0.00 C ATOM 257 CE1 TYR A 92 8.423 -4.405 -2.658 1.00 0.00 C ATOM 258 CE2 TYR A 92 8.624 -4.784 -0.295 1.00 0.00 C ATOM 259 CZ TYR A 92 9.209 -4.575 -1.532 1.00 0.00 C ATOM 260 OH TYR A 92 10.581 -4.534 -1.642 1.00 0.00 O ATOM 0 H TYR A 92 4.020 -1.955 -0.884 1.00 0.00 H new ATOM 0 HA TYR A 92 4.531 -3.801 -3.105 1.00 0.00 H new ATOM 0 HB2 TYR A 92 4.647 -4.535 -0.152 1.00 0.00 H new ATOM 0 HB3 TYR A 92 4.578 -5.698 -1.461 1.00 0.00 H new ATOM 0 HD1 TYR A 92 6.431 -4.312 -3.423 1.00 0.00 H new ATOM 0 HD2 TYR A 92 6.788 -4.990 0.777 1.00 0.00 H new ATOM 0 HE1 TYR A 92 8.883 -4.241 -3.621 1.00 0.00 H new ATOM 0 HE2 TYR A 92 9.240 -4.914 0.582 1.00 0.00 H new ATOM 0 HH TYR A 92 10.986 -4.886 -0.822 1.00 0.00 H new ATOM 270 N ARG A 93 2.236 -4.973 -2.576 1.00 0.00 N ATOM 271 CA ARG A 93 0.814 -5.292 -2.568 1.00 0.00 C ATOM 272 C ARG A 93 0.599 -6.798 -2.677 1.00 0.00 C ATOM 273 O ARG A 93 -0.473 -7.256 -3.070 1.00 0.00 O ATOM 274 CB ARG A 93 0.098 -4.575 -3.712 1.00 0.00 C ATOM 275 CG ARG A 93 0.200 -5.298 -5.045 1.00 0.00 C ATOM 276 CD ARG A 93 -0.462 -4.502 -6.159 1.00 0.00 C ATOM 277 NE ARG A 93 -0.422 -5.210 -7.436 1.00 0.00 N ATOM 278 CZ ARG A 93 -1.126 -6.309 -7.690 1.00 0.00 C ATOM 279 NH1 ARG A 93 -1.918 -6.823 -6.759 1.00 0.00 N ATOM 280 NH2 ARG A 93 -1.036 -6.895 -8.876 1.00 0.00 N ATOM 0 H ARG A 93 2.818 -5.654 -3.064 1.00 0.00 H new ATOM 0 HA ARG A 93 0.394 -4.949 -1.622 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -0.954 -4.456 -3.453 1.00 0.00 H new ATOM 0 HB3 ARG A 93 0.515 -3.574 -3.819 1.00 0.00 H new ATOM 0 HG2 ARG A 93 1.249 -5.467 -5.290 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -0.271 -6.278 -4.966 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -1.498 -4.296 -5.891 1.00 0.00 H new ATOM 0 HD3 ARG A 93 0.038 -3.539 -6.263 1.00 0.00 H new ATOM 0 HE ARG A 93 0.179 -4.841 -8.173 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -1.988 -6.375 -5.845 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -2.457 -7.666 -6.957 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -0.427 -6.503 -9.594 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -1.576 -7.738 -9.071 1.00 0.00 H new ATOM 294 N THR A 94 1.629 -7.561 -2.324 1.00 0.00 N ATOM 295 CA THR A 94 1.557 -9.016 -2.379 1.00 0.00 C ATOM 296 C THR A 94 2.548 -9.644 -1.402 1.00 0.00 C ATOM 297 O THR A 94 3.761 -9.524 -1.569 1.00 0.00 O ATOM 298 CB THR A 94 1.840 -9.509 -3.799 1.00 0.00 C ATOM 299 OG1 THR A 94 2.924 -8.798 -4.370 1.00 0.00 O ATOM 300 CG2 THR A 94 0.655 -9.365 -4.730 1.00 0.00 C ATOM 0 H THR A 94 2.523 -7.195 -1.997 1.00 0.00 H new ATOM 0 HA THR A 94 0.549 -9.318 -2.093 1.00 0.00 H new ATOM 0 HB THR A 94 2.073 -10.569 -3.696 1.00 0.00 H new ATOM 0 HG1 THR A 94 3.650 -8.728 -3.716 1.00 0.00 H new ATOM 0 HG21 THR A 94 0.923 -9.733 -5.720 1.00 0.00 H new ATOM 0 HG22 THR A 94 -0.184 -9.943 -4.343 1.00 0.00 H new ATOM 0 HG23 THR A 94 0.371 -8.315 -4.798 1.00 0.00 H new ATOM 308 N PRO A 95 2.036 -10.324 -0.365 1.00 0.00 N ATOM 309 CA PRO A 95 2.875 -10.977 0.647 1.00 0.00 C ATOM 310 C PRO A 95 3.637 -12.171 0.085 1.00 0.00 C ATOM 311 O PRO A 95 4.798 -12.395 0.427 1.00 0.00 O ATOM 312 CB PRO A 95 1.867 -11.434 1.704 1.00 0.00 C ATOM 313 CG PRO A 95 0.581 -11.573 0.965 1.00 0.00 C ATOM 314 CD PRO A 95 0.600 -10.512 -0.098 1.00 0.00 C ATOM 0 HA PRO A 95 3.643 -10.307 1.034 1.00 0.00 H new ATOM 0 HB2 PRO A 95 2.168 -12.379 2.156 1.00 0.00 H new ATOM 0 HB3 PRO A 95 1.783 -10.707 2.512 1.00 0.00 H new ATOM 0 HG2 PRO A 95 0.489 -12.566 0.524 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -0.270 -11.441 1.633 1.00 0.00 H new ATOM 0 HD2 PRO A 95 0.063 -10.829 -0.992 1.00 0.00 H new ATOM 0 HD3 PRO A 95 0.131 -9.590 0.246 1.00 0.00 H new ATOM 322 N SER A 96 2.977 -12.936 -0.777 1.00 0.00 N ATOM 323 CA SER A 96 3.592 -14.109 -1.386 1.00 0.00 C ATOM 324 C SER A 96 3.300 -14.162 -2.882 1.00 0.00 C ATOM 325 O SER A 96 2.513 -13.370 -3.400 1.00 0.00 O ATOM 326 CB SER A 96 3.087 -15.384 -0.709 1.00 0.00 C ATOM 327 OG SER A 96 2.261 -16.132 -1.584 1.00 0.00 O ATOM 0 H SER A 96 2.015 -12.765 -1.070 1.00 0.00 H new ATOM 0 HA SER A 96 4.671 -14.036 -1.248 1.00 0.00 H new ATOM 0 HB2 SER A 96 3.935 -15.993 -0.394 1.00 0.00 H new ATOM 0 HB3 SER A 96 2.529 -15.125 0.191 1.00 0.00 H new ATOM 0 HG SER A 96 1.952 -16.943 -1.129 1.00 0.00 H new ATOM 333 N PRO A 97 3.934 -15.105 -3.595 1.00 0.00 N ATOM 334 CA PRO A 97 3.744 -15.268 -5.039 1.00 0.00 C ATOM 335 C PRO A 97 2.353 -15.788 -5.384 1.00 0.00 C ATOM 336 O PRO A 97 1.831 -15.525 -6.466 1.00 0.00 O ATOM 337 CB PRO A 97 4.812 -16.295 -5.424 1.00 0.00 C ATOM 338 CG PRO A 97 5.067 -17.062 -4.173 1.00 0.00 C ATOM 339 CD PRO A 97 4.886 -16.086 -3.045 1.00 0.00 C ATOM 0 HA PRO A 97 3.833 -14.322 -5.572 1.00 0.00 H new ATOM 0 HB2 PRO A 97 4.464 -16.948 -6.225 1.00 0.00 H new ATOM 0 HB3 PRO A 97 5.719 -15.808 -5.782 1.00 0.00 H new ATOM 0 HG2 PRO A 97 4.374 -17.899 -4.080 1.00 0.00 H new ATOM 0 HG3 PRO A 97 6.074 -17.480 -4.170 1.00 0.00 H new ATOM 0 HD2 PRO A 97 4.492 -16.572 -2.152 1.00 0.00 H new ATOM 0 HD3 PRO A 97 5.829 -15.617 -2.763 1.00 0.00 H new ATOM 347 N ASP A 98 1.758 -16.528 -4.454 1.00 0.00 N ATOM 348 CA ASP A 98 0.426 -17.087 -4.656 1.00 0.00 C ATOM 349 C ASP A 98 -0.438 -16.896 -3.413 1.00 0.00 C ATOM 350 O ASP A 98 -1.203 -17.783 -3.036 1.00 0.00 O ATOM 351 CB ASP A 98 0.522 -18.573 -5.001 1.00 0.00 C ATOM 352 CG ASP A 98 0.204 -18.851 -6.458 1.00 0.00 C ATOM 353 OD1 ASP A 98 -0.969 -18.688 -6.851 1.00 0.00 O ATOM 354 OD2 ASP A 98 1.130 -19.232 -7.205 1.00 0.00 O ATOM 0 H ASP A 98 2.178 -16.755 -3.552 1.00 0.00 H new ATOM 0 HA ASP A 98 -0.042 -16.558 -5.486 1.00 0.00 H new ATOM 0 HB2 ASP A 98 1.527 -18.931 -4.777 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -0.165 -19.135 -4.368 1.00 0.00 H new ATOM 359 N ALA A 99 -0.310 -15.732 -2.784 1.00 0.00 N ATOM 360 CA ALA A 99 -1.080 -15.425 -1.583 1.00 0.00 C ATOM 361 C ALA A 99 -2.345 -14.645 -1.926 1.00 0.00 C ATOM 362 O ALA A 99 -2.846 -14.716 -3.048 1.00 0.00 O ATOM 363 CB ALA A 99 -0.226 -14.642 -0.597 1.00 0.00 C ATOM 0 H ALA A 99 0.318 -14.987 -3.085 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.379 -16.366 -1.122 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -0.812 -14.419 0.295 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.646 -15.235 -0.320 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.101 -13.710 -1.059 1.00 0.00 H new ATOM 369 N LYS A 100 -2.856 -13.899 -0.952 1.00 0.00 N ATOM 370 CA LYS A 100 -4.062 -13.105 -1.151 1.00 0.00 C ATOM 371 C LYS A 100 -3.718 -11.631 -1.343 1.00 0.00 C ATOM 372 O LYS A 100 -4.460 -10.748 -0.914 1.00 0.00 O ATOM 373 CB LYS A 100 -5.010 -13.269 0.039 1.00 0.00 C ATOM 374 CG LYS A 100 -4.673 -12.364 1.214 1.00 0.00 C ATOM 375 CD LYS A 100 -4.524 -13.157 2.502 1.00 0.00 C ATOM 376 CE LYS A 100 -5.775 -13.065 3.360 1.00 0.00 C ATOM 377 NZ LYS A 100 -5.610 -12.098 4.480 1.00 0.00 N ATOM 0 H LYS A 100 -2.454 -13.828 -0.017 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.558 -13.464 -2.053 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.029 -13.062 -0.288 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -4.986 -14.307 0.372 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.748 -11.827 1.007 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.456 -11.616 1.335 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -4.319 -14.201 2.266 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.668 -12.783 3.064 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.619 -12.762 2.740 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -6.012 -14.050 3.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -6.485 -12.064 5.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.821 -12.400 5.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -5.409 -11.153 4.096 1.00 0.00 H new ATOM 391 N ALA A 101 -2.587 -11.374 -1.993 1.00 0.00 N ATOM 392 CA ALA A 101 -2.142 -10.008 -2.245 1.00 0.00 C ATOM 393 C ALA A 101 -2.288 -9.142 -0.998 1.00 0.00 C ATOM 394 O ALA A 101 -2.355 -9.652 0.120 1.00 0.00 O ATOM 395 CB ALA A 101 -2.923 -9.404 -3.402 1.00 0.00 C ATOM 0 H ALA A 101 -1.962 -12.094 -2.355 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.085 -10.041 -2.510 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.581 -8.384 -3.579 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.764 -10.001 -4.300 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.985 -9.393 -3.157 1.00 0.00 H new ATOM 401 N PHE A 102 -2.337 -7.829 -1.200 1.00 0.00 N ATOM 402 CA PHE A 102 -2.479 -6.889 -0.095 1.00 0.00 C ATOM 403 C PHE A 102 -3.433 -5.766 -0.454 1.00 0.00 C ATOM 404 O PHE A 102 -3.183 -4.609 -0.121 1.00 0.00 O ATOM 405 CB PHE A 102 -1.130 -6.282 0.277 1.00 0.00 C ATOM 406 CG PHE A 102 -0.826 -6.352 1.746 1.00 0.00 C ATOM 407 CD1 PHE A 102 -1.820 -6.088 2.684 1.00 0.00 C ATOM 408 CD2 PHE A 102 0.448 -6.680 2.194 1.00 0.00 C ATOM 409 CE1 PHE A 102 -1.547 -6.150 4.041 1.00 0.00 C ATOM 410 CE2 PHE A 102 0.727 -6.743 3.550 1.00 0.00 C ATOM 411 CZ PHE A 102 -0.271 -6.478 4.475 1.00 0.00 C ATOM 0 H PHE A 102 -2.280 -7.392 -2.120 1.00 0.00 H new ATOM 0 HA PHE A 102 -2.877 -7.446 0.753 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -0.344 -6.799 -0.274 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -1.110 -5.240 -0.041 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -2.815 -5.832 2.350 1.00 0.00 H new ATOM 0 HD2 PHE A 102 1.229 -6.888 1.478 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -2.326 -5.943 4.760 1.00 0.00 H new ATOM 0 HE2 PHE A 102 1.721 -6.998 3.886 1.00 0.00 H new ATOM 0 HZ PHE A 102 -0.055 -6.527 5.532 1.00 0.00 H new ATOM 421 N ILE A 103 -4.517 -6.107 -1.138 1.00 0.00 N ATOM 422 CA ILE A 103 -5.502 -5.114 -1.542 1.00 0.00 C ATOM 423 C ILE A 103 -5.130 -4.484 -2.880 1.00 0.00 C ATOM 424 O ILE A 103 -4.050 -3.911 -3.028 1.00 0.00 O ATOM 425 CB ILE A 103 -5.638 -4.004 -0.484 1.00 0.00 C ATOM 426 CG1 ILE A 103 -5.738 -4.612 0.916 1.00 0.00 C ATOM 427 CG2 ILE A 103 -6.845 -3.142 -0.780 1.00 0.00 C ATOM 428 CD1 ILE A 103 -6.369 -3.687 1.934 1.00 0.00 C ATOM 0 H ILE A 103 -4.736 -7.061 -1.424 1.00 0.00 H new ATOM 0 HA ILE A 103 -6.456 -5.632 -1.642 1.00 0.00 H new ATOM 0 HB ILE A 103 -4.749 -3.375 -0.521 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -6.320 -5.532 0.863 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -4.739 -4.886 1.256 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -6.929 -2.361 -0.024 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -6.733 -2.685 -1.763 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -7.744 -3.758 -0.767 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -6.407 -4.184 2.903 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -5.775 -2.777 2.016 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -7.380 -3.433 1.617 1.00 0.00 H new ATOM 440 N GLU A 104 -6.029 -4.597 -3.850 1.00 0.00 N ATOM 441 CA GLU A 104 -5.795 -4.039 -5.178 1.00 0.00 C ATOM 442 C GLU A 104 -6.995 -3.222 -5.644 1.00 0.00 C ATOM 443 O GLU A 104 -7.960 -3.037 -4.901 1.00 0.00 O ATOM 444 CB GLU A 104 -5.506 -5.158 -6.179 1.00 0.00 C ATOM 445 CG GLU A 104 -6.758 -5.792 -6.761 1.00 0.00 C ATOM 446 CD GLU A 104 -6.672 -7.305 -6.818 1.00 0.00 C ATOM 447 OE1 GLU A 104 -5.726 -7.868 -6.227 1.00 0.00 O ATOM 448 OE2 GLU A 104 -7.550 -7.926 -7.453 1.00 0.00 O ATOM 0 H GLU A 104 -6.927 -5.070 -3.743 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.930 -3.379 -5.121 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -4.899 -4.759 -6.992 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.913 -5.929 -5.688 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.620 -5.503 -6.160 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -6.925 -5.403 -7.765 1.00 0.00 H new ATOM 455 N VAL A 105 -6.930 -2.737 -6.879 1.00 0.00 N ATOM 456 CA VAL A 105 -8.012 -1.941 -7.445 1.00 0.00 C ATOM 457 C VAL A 105 -9.346 -2.670 -7.332 1.00 0.00 C ATOM 458 O VAL A 105 -9.443 -3.859 -7.634 1.00 0.00 O ATOM 459 CB VAL A 105 -7.749 -1.604 -8.924 1.00 0.00 C ATOM 460 CG1 VAL A 105 -8.848 -0.707 -9.471 1.00 0.00 C ATOM 461 CG2 VAL A 105 -6.385 -0.950 -9.087 1.00 0.00 C ATOM 0 H VAL A 105 -6.139 -2.881 -7.507 1.00 0.00 H new ATOM 0 HA VAL A 105 -8.056 -1.015 -6.872 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.752 -2.532 -9.496 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -8.645 -0.480 -10.517 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -9.808 -1.217 -9.390 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -8.880 0.220 -8.898 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -6.216 -0.719 -10.139 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -6.350 -0.030 -8.503 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.610 -1.632 -8.736 1.00 0.00 H new ATOM 471 N GLY A 106 -10.372 -1.948 -6.892 1.00 0.00 N ATOM 472 CA GLY A 106 -11.687 -2.544 -6.746 1.00 0.00 C ATOM 473 C GLY A 106 -11.929 -3.074 -5.346 1.00 0.00 C ATOM 474 O GLY A 106 -13.071 -3.151 -4.894 1.00 0.00 O ATOM 0 H GLY A 106 -10.316 -0.963 -6.634 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -12.448 -1.802 -6.987 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -11.796 -3.357 -7.463 1.00 0.00 H new ATOM 478 N GLN A 107 -10.851 -3.440 -4.659 1.00 0.00 N ATOM 479 CA GLN A 107 -10.951 -3.966 -3.303 1.00 0.00 C ATOM 480 C GLN A 107 -11.307 -2.858 -2.316 1.00 0.00 C ATOM 481 O GLN A 107 -10.697 -1.788 -2.322 1.00 0.00 O ATOM 482 CB GLN A 107 -9.635 -4.629 -2.891 1.00 0.00 C ATOM 483 CG GLN A 107 -9.816 -5.811 -1.954 1.00 0.00 C ATOM 484 CD GLN A 107 -10.162 -7.091 -2.690 1.00 0.00 C ATOM 485 OE1 GLN A 107 -9.343 -7.636 -3.430 1.00 0.00 O ATOM 486 NE2 GLN A 107 -11.382 -7.577 -2.491 1.00 0.00 N ATOM 0 H GLN A 107 -9.899 -3.382 -5.020 1.00 0.00 H new ATOM 0 HA GLN A 107 -11.745 -4.712 -3.287 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -9.110 -4.963 -3.786 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -9.000 -3.887 -2.407 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -8.900 -5.961 -1.383 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -10.605 -5.584 -1.237 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -12.029 -7.092 -1.869 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -11.672 -8.435 -2.960 1.00 0.00 H new ATOM 495 N LYS A 108 -12.298 -3.121 -1.471 1.00 0.00 N ATOM 496 CA LYS A 108 -12.735 -2.146 -0.478 1.00 0.00 C ATOM 497 C LYS A 108 -12.078 -2.411 0.873 1.00 0.00 C ATOM 498 O LYS A 108 -12.262 -3.473 1.466 1.00 0.00 O ATOM 499 CB LYS A 108 -14.257 -2.184 -0.333 1.00 0.00 C ATOM 500 CG LYS A 108 -14.814 -3.583 -0.128 1.00 0.00 C ATOM 501 CD LYS A 108 -15.789 -3.961 -1.231 1.00 0.00 C ATOM 502 CE LYS A 108 -15.662 -5.429 -1.606 1.00 0.00 C ATOM 503 NZ LYS A 108 -15.870 -5.650 -3.064 1.00 0.00 N ATOM 0 H LYS A 108 -12.814 -4.001 -1.454 1.00 0.00 H new ATOM 0 HA LYS A 108 -12.433 -1.156 -0.820 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -14.549 -1.559 0.511 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -14.709 -1.749 -1.224 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -13.995 -4.302 -0.103 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -15.316 -3.638 0.838 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -16.808 -3.754 -0.904 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -15.604 -3.342 -2.109 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -14.675 -5.792 -1.321 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -16.391 -6.012 -1.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -15.775 -6.663 -3.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -16.822 -5.327 -3.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -15.159 -5.114 -3.601 1.00 0.00 H new ATOM 517 N VAL A 109 -11.312 -1.437 1.352 1.00 0.00 N ATOM 518 CA VAL A 109 -10.628 -1.563 2.633 1.00 0.00 C ATOM 519 C VAL A 109 -11.500 -1.047 3.773 1.00 0.00 C ATOM 520 O VAL A 109 -12.611 -0.567 3.547 1.00 0.00 O ATOM 521 CB VAL A 109 -9.293 -0.796 2.637 1.00 0.00 C ATOM 522 CG1 VAL A 109 -8.483 -1.125 1.391 1.00 0.00 C ATOM 523 CG2 VAL A 109 -9.539 0.703 2.741 1.00 0.00 C ATOM 0 H VAL A 109 -11.149 -0.552 0.872 1.00 0.00 H new ATOM 0 HA VAL A 109 -10.428 -2.624 2.781 1.00 0.00 H new ATOM 0 HB VAL A 109 -8.718 -1.109 3.509 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -7.543 -0.573 1.412 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -8.275 -2.195 1.364 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -9.050 -0.843 0.504 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -8.584 1.229 2.742 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -10.134 1.034 1.890 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -10.075 0.921 3.665 1.00 0.00 H new ATOM 533 N ASN A 110 -10.988 -1.145 4.996 1.00 0.00 N ATOM 534 CA ASN A 110 -11.717 -0.686 6.170 1.00 0.00 C ATOM 535 C ASN A 110 -10.784 -0.563 7.367 1.00 0.00 C ATOM 536 O ASN A 110 -10.016 -1.477 7.671 1.00 0.00 O ATOM 537 CB ASN A 110 -12.861 -1.644 6.505 1.00 0.00 C ATOM 538 CG ASN A 110 -13.956 -1.630 5.457 1.00 0.00 C ATOM 539 OD1 ASN A 110 -13.917 -2.392 4.492 1.00 0.00 O ATOM 540 ND2 ASN A 110 -14.942 -0.760 5.643 1.00 0.00 N ATOM 0 H ASN A 110 -10.069 -1.539 5.198 1.00 0.00 H new ATOM 0 HA ASN A 110 -12.133 0.295 5.943 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -12.467 -2.656 6.601 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -13.285 -1.374 7.472 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -15.707 -0.705 4.971 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -14.934 -0.147 6.458 1.00 0.00 H new ATOM 547 N VAL A 111 -10.858 0.574 8.041 1.00 0.00 N ATOM 548 CA VAL A 111 -10.024 0.830 9.208 1.00 0.00 C ATOM 549 C VAL A 111 -9.868 -0.426 10.058 1.00 0.00 C ATOM 550 O VAL A 111 -10.672 -1.354 9.967 1.00 0.00 O ATOM 551 CB VAL A 111 -10.611 1.955 10.081 1.00 0.00 C ATOM 552 CG1 VAL A 111 -10.683 3.257 9.299 1.00 0.00 C ATOM 553 CG2 VAL A 111 -11.983 1.563 10.606 1.00 0.00 C ATOM 0 H VAL A 111 -11.489 1.338 7.800 1.00 0.00 H new ATOM 0 HA VAL A 111 -9.047 1.139 8.837 1.00 0.00 H new ATOM 0 HB VAL A 111 -9.951 2.108 10.935 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -11.100 4.039 9.933 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -9.682 3.545 8.979 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -11.319 3.121 8.424 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -12.382 2.370 11.221 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -12.655 1.380 9.767 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -11.898 0.658 11.207 1.00 0.00 H new ATOM 563 N GLY A 112 -8.828 -0.449 10.884 1.00 0.00 N ATOM 564 CA GLY A 112 -8.585 -1.595 11.740 1.00 0.00 C ATOM 565 C GLY A 112 -7.921 -2.741 11.001 1.00 0.00 C ATOM 566 O GLY A 112 -7.547 -3.745 11.607 1.00 0.00 O ATOM 0 H GLY A 112 -8.148 0.306 10.976 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.955 -1.293 12.576 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -9.531 -1.937 12.161 1.00 0.00 H new ATOM 570 N ASP A 113 -7.775 -2.592 9.689 1.00 0.00 N ATOM 571 CA ASP A 113 -7.153 -3.620 8.868 1.00 0.00 C ATOM 572 C ASP A 113 -5.776 -3.166 8.388 1.00 0.00 C ATOM 573 O ASP A 113 -5.076 -2.435 9.088 1.00 0.00 O ATOM 574 CB ASP A 113 -8.051 -3.952 7.674 1.00 0.00 C ATOM 575 CG ASP A 113 -9.493 -4.185 8.081 1.00 0.00 C ATOM 576 OD1 ASP A 113 -9.785 -4.120 9.294 1.00 0.00 O ATOM 577 OD2 ASP A 113 -10.329 -4.434 7.189 1.00 0.00 O ATOM 0 H ASP A 113 -8.080 -1.767 9.172 1.00 0.00 H new ATOM 0 HA ASP A 113 -7.025 -4.518 9.473 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -8.007 -3.136 6.952 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -7.670 -4.842 7.173 1.00 0.00 H new ATOM 582 N THR A 114 -5.391 -3.604 7.194 1.00 0.00 N ATOM 583 CA THR A 114 -4.097 -3.240 6.628 1.00 0.00 C ATOM 584 C THR A 114 -4.235 -2.861 5.157 1.00 0.00 C ATOM 585 O THR A 114 -5.113 -3.364 4.455 1.00 0.00 O ATOM 586 CB THR A 114 -3.109 -4.399 6.776 1.00 0.00 C ATOM 587 OG1 THR A 114 -3.130 -4.909 8.098 1.00 0.00 O ATOM 588 CG2 THR A 114 -1.681 -4.012 6.457 1.00 0.00 C ATOM 0 H THR A 114 -5.956 -4.211 6.600 1.00 0.00 H new ATOM 0 HA THR A 114 -3.719 -2.376 7.174 1.00 0.00 H new ATOM 0 HB THR A 114 -3.435 -5.150 6.057 1.00 0.00 H new ATOM 0 HG1 THR A 114 -2.493 -5.650 8.173 1.00 0.00 H new ATOM 0 HG21 THR A 114 -1.033 -4.879 6.582 1.00 0.00 H new ATOM 0 HG22 THR A 114 -1.621 -3.659 5.427 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.360 -3.219 7.132 1.00 0.00 H new ATOM 596 N LEU A 115 -3.363 -1.971 4.696 1.00 0.00 N ATOM 597 CA LEU A 115 -3.388 -1.524 3.308 1.00 0.00 C ATOM 598 C LEU A 115 -2.380 -2.302 2.468 1.00 0.00 C ATOM 599 O LEU A 115 -2.751 -3.185 1.696 1.00 0.00 O ATOM 600 CB LEU A 115 -3.089 -0.026 3.227 1.00 0.00 C ATOM 601 CG LEU A 115 -4.249 0.888 3.628 1.00 0.00 C ATOM 602 CD1 LEU A 115 -3.794 2.337 3.676 1.00 0.00 C ATOM 603 CD2 LEU A 115 -5.414 0.723 2.663 1.00 0.00 C ATOM 0 H LEU A 115 -2.630 -1.545 5.263 1.00 0.00 H new ATOM 0 HA LEU A 115 -4.386 -1.710 2.910 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -2.235 0.194 3.868 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -2.792 0.215 2.206 1.00 0.00 H new ATOM 0 HG LEU A 115 -4.585 0.602 4.625 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -4.632 2.972 3.963 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -2.992 2.443 4.407 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -3.431 2.637 2.693 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -6.230 1.380 2.963 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -5.091 0.982 1.655 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -5.756 -0.312 2.679 1.00 0.00 H new ATOM 615 N CYS A 116 -1.103 -1.967 2.625 1.00 0.00 N ATOM 616 CA CYS A 116 -0.043 -2.635 1.878 1.00 0.00 C ATOM 617 C CYS A 116 1.245 -2.690 2.696 1.00 0.00 C ATOM 618 O CYS A 116 1.243 -2.407 3.895 1.00 0.00 O ATOM 619 CB CYS A 116 0.214 -1.918 0.551 1.00 0.00 C ATOM 620 SG CYS A 116 -1.082 -0.750 0.073 1.00 0.00 S ATOM 0 H CYS A 116 -0.778 -1.239 3.261 1.00 0.00 H new ATOM 0 HA CYS A 116 -0.369 -3.654 1.671 1.00 0.00 H new ATOM 0 HB2 CYS A 116 1.162 -1.384 0.618 1.00 0.00 H new ATOM 0 HB3 CYS A 116 0.323 -2.664 -0.236 1.00 0.00 H new ATOM 0 HG CYS A 116 -1.146 -0.679 -1.224 1.00 0.00 H new ATOM 626 N ILE A 117 2.342 -3.055 2.040 1.00 0.00 N ATOM 627 CA ILE A 117 3.636 -3.145 2.707 1.00 0.00 C ATOM 628 C ILE A 117 4.563 -2.020 2.264 1.00 0.00 C ATOM 629 O ILE A 117 4.880 -1.893 1.081 1.00 0.00 O ATOM 630 CB ILE A 117 4.325 -4.497 2.428 1.00 0.00 C ATOM 631 CG1 ILE A 117 3.303 -5.536 1.966 1.00 0.00 C ATOM 632 CG2 ILE A 117 5.059 -4.985 3.668 1.00 0.00 C ATOM 633 CD1 ILE A 117 3.778 -6.963 2.128 1.00 0.00 C ATOM 0 H ILE A 117 2.361 -3.293 1.048 1.00 0.00 H new ATOM 0 HA ILE A 117 3.443 -3.057 3.776 1.00 0.00 H new ATOM 0 HB ILE A 117 5.053 -4.354 1.630 1.00 0.00 H new ATOM 0 HG12 ILE A 117 2.380 -5.402 2.530 1.00 0.00 H new ATOM 0 HG13 ILE A 117 3.064 -5.358 0.918 1.00 0.00 H new ATOM 0 HG21 ILE A 117 5.539 -5.940 3.454 1.00 0.00 H new ATOM 0 HG22 ILE A 117 5.815 -4.254 3.954 1.00 0.00 H new ATOM 0 HG23 ILE A 117 4.349 -5.111 4.485 1.00 0.00 H new ATOM 0 HD11 ILE A 117 3.003 -7.646 1.781 1.00 0.00 H new ATOM 0 HD12 ILE A 117 4.684 -7.114 1.541 1.00 0.00 H new ATOM 0 HD13 ILE A 117 3.990 -7.159 3.179 1.00 0.00 H new ATOM 645 N VAL A 118 4.998 -1.206 3.220 1.00 0.00 N ATOM 646 CA VAL A 118 5.892 -0.094 2.925 1.00 0.00 C ATOM 647 C VAL A 118 7.221 -0.252 3.655 1.00 0.00 C ATOM 648 O VAL A 118 7.495 0.453 4.626 1.00 0.00 O ATOM 649 CB VAL A 118 5.261 1.255 3.318 1.00 0.00 C ATOM 650 CG1 VAL A 118 6.064 2.409 2.739 1.00 0.00 C ATOM 651 CG2 VAL A 118 3.812 1.320 2.859 1.00 0.00 C ATOM 0 H VAL A 118 4.746 -1.296 4.204 1.00 0.00 H new ATOM 0 HA VAL A 118 6.066 -0.104 1.849 1.00 0.00 H new ATOM 0 HB VAL A 118 5.278 1.341 4.404 1.00 0.00 H new ATOM 0 HG11 VAL A 118 5.603 3.354 3.027 1.00 0.00 H new ATOM 0 HG12 VAL A 118 7.084 2.371 3.122 1.00 0.00 H new ATOM 0 HG13 VAL A 118 6.082 2.331 1.652 1.00 0.00 H new ATOM 0 HG21 VAL A 118 3.382 2.280 3.145 1.00 0.00 H new ATOM 0 HG22 VAL A 118 3.768 1.212 1.775 1.00 0.00 H new ATOM 0 HG23 VAL A 118 3.246 0.515 3.327 1.00 0.00 H new ATOM 661 N GLU A 119 8.045 -1.181 3.181 1.00 0.00 N ATOM 662 CA GLU A 119 9.346 -1.431 3.791 1.00 0.00 C ATOM 663 C GLU A 119 10.208 -0.173 3.765 1.00 0.00 C ATOM 664 O GLU A 119 10.513 0.361 2.698 1.00 0.00 O ATOM 665 CB GLU A 119 10.063 -2.572 3.066 1.00 0.00 C ATOM 666 CG GLU A 119 9.971 -2.483 1.553 1.00 0.00 C ATOM 667 CD GLU A 119 11.188 -3.066 0.862 1.00 0.00 C ATOM 668 OE1 GLU A 119 11.331 -4.307 0.858 1.00 0.00 O ATOM 669 OE2 GLU A 119 11.997 -2.283 0.323 1.00 0.00 O ATOM 0 H GLU A 119 7.835 -1.773 2.377 1.00 0.00 H new ATOM 0 HA GLU A 119 9.184 -1.717 4.830 1.00 0.00 H new ATOM 0 HB2 GLU A 119 11.113 -2.574 3.358 1.00 0.00 H new ATOM 0 HB3 GLU A 119 9.639 -3.522 3.392 1.00 0.00 H new ATOM 0 HG2 GLU A 119 9.078 -3.009 1.215 1.00 0.00 H new ATOM 0 HG3 GLU A 119 9.856 -1.439 1.260 1.00 0.00 H new ATOM 676 N ALA A 120 10.595 0.298 4.946 1.00 0.00 N ATOM 677 CA ALA A 120 11.419 1.496 5.060 1.00 0.00 C ATOM 678 C ALA A 120 12.895 1.147 5.137 1.00 0.00 C ATOM 679 O ALA A 120 13.660 1.394 4.204 1.00 0.00 O ATOM 680 CB ALA A 120 11.004 2.306 6.280 1.00 0.00 C ATOM 0 H ALA A 120 10.351 -0.132 5.838 1.00 0.00 H new ATOM 0 HA ALA A 120 11.264 2.097 4.164 1.00 0.00 H new ATOM 0 HB1 ALA A 120 11.627 3.198 6.354 1.00 0.00 H new ATOM 0 HB2 ALA A 120 9.959 2.600 6.183 1.00 0.00 H new ATOM 0 HB3 ALA A 120 11.129 1.701 7.178 1.00 0.00 H new ATOM 686 N MET A 121 13.278 0.570 6.257 1.00 0.00 N ATOM 687 CA MET A 121 14.660 0.170 6.489 1.00 0.00 C ATOM 688 C MET A 121 14.873 -1.276 6.066 1.00 0.00 C ATOM 689 O MET A 121 15.625 -2.016 6.701 1.00 0.00 O ATOM 690 CB MET A 121 15.023 0.342 7.965 1.00 0.00 C ATOM 691 CG MET A 121 14.212 -0.543 8.897 1.00 0.00 C ATOM 692 SD MET A 121 15.137 -1.042 10.362 1.00 0.00 S ATOM 693 CE MET A 121 14.268 -0.133 11.637 1.00 0.00 C ATOM 0 H MET A 121 12.648 0.364 7.032 1.00 0.00 H new ATOM 0 HA MET A 121 15.308 0.810 5.890 1.00 0.00 H new ATOM 0 HB2 MET A 121 16.082 0.122 8.098 1.00 0.00 H new ATOM 0 HB3 MET A 121 14.876 1.384 8.248 1.00 0.00 H new ATOM 0 HG2 MET A 121 13.312 -0.011 9.204 1.00 0.00 H new ATOM 0 HG3 MET A 121 13.888 -1.432 8.356 1.00 0.00 H new ATOM 0 HE1 MET A 121 14.724 -0.338 12.605 1.00 0.00 H new ATOM 0 HE2 MET A 121 14.327 0.935 11.427 1.00 0.00 H new ATOM 0 HE3 MET A 121 13.223 -0.442 11.656 1.00 0.00 H new ATOM 703 N LYS A 122 14.199 -1.668 4.991 1.00 0.00 N ATOM 704 CA LYS A 122 14.298 -3.024 4.469 1.00 0.00 C ATOM 705 C LYS A 122 13.269 -3.937 5.129 1.00 0.00 C ATOM 706 O LYS A 122 13.090 -5.084 4.721 1.00 0.00 O ATOM 707 CB LYS A 122 15.708 -3.581 4.681 1.00 0.00 C ATOM 708 CG LYS A 122 16.173 -4.503 3.564 1.00 0.00 C ATOM 709 CD LYS A 122 15.105 -5.522 3.203 1.00 0.00 C ATOM 710 CE LYS A 122 15.592 -6.488 2.134 1.00 0.00 C ATOM 711 NZ LYS A 122 14.537 -6.826 1.183 1.00 0.00 N ATOM 0 H LYS A 122 13.574 -1.060 4.461 1.00 0.00 H new ATOM 0 HA LYS A 122 14.092 -2.988 3.399 1.00 0.00 H new ATOM 0 HB2 LYS A 122 16.408 -2.750 4.770 1.00 0.00 H new ATOM 0 HB3 LYS A 122 15.737 -4.125 5.625 1.00 0.00 H new ATOM 0 HG2 LYS A 122 16.426 -3.912 2.684 1.00 0.00 H new ATOM 0 HG3 LYS A 122 17.082 -5.020 3.872 1.00 0.00 H new ATOM 0 HD2 LYS A 122 14.817 -6.080 4.094 1.00 0.00 H new ATOM 0 HD3 LYS A 122 14.213 -5.005 2.848 1.00 0.00 H new ATOM 0 HE2 LYS A 122 16.433 -6.045 1.601 1.00 0.00 H new ATOM 0 HE3 LYS A 122 15.959 -7.399 2.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 14.910 -7.486 0.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 13.745 -7.272 1.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 14.204 -5.961 0.712 1.00 0.00 H new ATOM 722 N MET A 123 12.588 -3.420 6.146 1.00 0.00 N ATOM 723 CA MET A 123 11.574 -4.193 6.851 1.00 0.00 C ATOM 724 C MET A 123 10.177 -3.692 6.513 1.00 0.00 C ATOM 725 O MET A 123 9.890 -2.500 6.616 1.00 0.00 O ATOM 726 CB MET A 123 11.798 -4.127 8.360 1.00 0.00 C ATOM 727 CG MET A 123 13.235 -4.399 8.776 1.00 0.00 C ATOM 728 SD MET A 123 13.433 -4.491 10.566 1.00 0.00 S ATOM 729 CE MET A 123 14.138 -6.127 10.743 1.00 0.00 C ATOM 0 H MET A 123 12.720 -2.472 6.499 1.00 0.00 H new ATOM 0 HA MET A 123 11.660 -5.230 6.527 1.00 0.00 H new ATOM 0 HB2 MET A 123 11.505 -3.140 8.719 1.00 0.00 H new ATOM 0 HB3 MET A 123 11.145 -4.850 8.848 1.00 0.00 H new ATOM 0 HG2 MET A 123 13.568 -5.336 8.329 1.00 0.00 H new ATOM 0 HG3 MET A 123 13.878 -3.612 8.383 1.00 0.00 H new ATOM 0 HE1 MET A 123 14.319 -6.333 11.798 1.00 0.00 H new ATOM 0 HE2 MET A 123 13.445 -6.867 10.342 1.00 0.00 H new ATOM 0 HE3 MET A 123 15.080 -6.178 10.197 1.00 0.00 H new ATOM 739 N MET A 124 9.314 -4.614 6.108 1.00 0.00 N ATOM 740 CA MET A 124 7.942 -4.279 5.748 1.00 0.00 C ATOM 741 C MET A 124 7.329 -3.313 6.756 1.00 0.00 C ATOM 742 O MET A 124 7.674 -3.329 7.937 1.00 0.00 O ATOM 743 CB MET A 124 7.093 -5.550 5.664 1.00 0.00 C ATOM 744 CG MET A 124 7.429 -6.578 6.732 1.00 0.00 C ATOM 745 SD MET A 124 6.175 -7.866 6.874 1.00 0.00 S ATOM 746 CE MET A 124 5.669 -7.662 8.580 1.00 0.00 C ATOM 0 H MET A 124 9.541 -5.605 6.020 1.00 0.00 H new ATOM 0 HA MET A 124 7.959 -3.792 4.773 1.00 0.00 H new ATOM 0 HB2 MET A 124 6.040 -5.280 5.750 1.00 0.00 H new ATOM 0 HB3 MET A 124 7.227 -6.002 4.681 1.00 0.00 H new ATOM 0 HG2 MET A 124 8.390 -7.036 6.500 1.00 0.00 H new ATOM 0 HG3 MET A 124 7.539 -6.075 7.693 1.00 0.00 H new ATOM 0 HE1 MET A 124 4.895 -8.391 8.819 1.00 0.00 H new ATOM 0 HE2 MET A 124 6.527 -7.816 9.235 1.00 0.00 H new ATOM 0 HE3 MET A 124 5.277 -6.655 8.725 1.00 0.00 H new ATOM 756 N ASN A 125 6.414 -2.476 6.278 1.00 0.00 N ATOM 757 CA ASN A 125 5.746 -1.502 7.133 1.00 0.00 C ATOM 758 C ASN A 125 4.233 -1.581 6.955 1.00 0.00 C ATOM 759 O ASN A 125 3.627 -0.714 6.325 1.00 0.00 O ATOM 760 CB ASN A 125 6.238 -0.089 6.816 1.00 0.00 C ATOM 761 CG ASN A 125 5.961 0.886 7.943 1.00 0.00 C ATOM 762 OD1 ASN A 125 5.343 0.532 8.948 1.00 0.00 O ATOM 763 ND2 ASN A 125 6.417 2.122 7.781 1.00 0.00 N ATOM 0 H ASN A 125 6.118 -2.453 5.302 1.00 0.00 H new ATOM 0 HA ASN A 125 5.988 -1.735 8.170 1.00 0.00 H new ATOM 0 HB2 ASN A 125 7.310 -0.116 6.618 1.00 0.00 H new ATOM 0 HB3 ASN A 125 5.755 0.265 5.906 1.00 0.00 H new ATOM 0 HD21 ASN A 125 6.260 2.822 8.506 1.00 0.00 H new ATOM 0 HD22 ASN A 125 6.924 2.371 6.932 1.00 0.00 H new ATOM 770 N GLN A 126 3.632 -2.627 7.511 1.00 0.00 N ATOM 771 CA GLN A 126 2.190 -2.822 7.413 1.00 0.00 C ATOM 772 C GLN A 126 1.440 -1.535 7.738 1.00 0.00 C ATOM 773 O GLN A 126 1.459 -1.064 8.875 1.00 0.00 O ATOM 774 CB GLN A 126 1.740 -3.940 8.356 1.00 0.00 C ATOM 775 CG GLN A 126 2.324 -3.828 9.755 1.00 0.00 C ATOM 776 CD GLN A 126 2.044 -5.053 10.603 1.00 0.00 C ATOM 777 OE1 GLN A 126 2.961 -5.779 10.988 1.00 0.00 O ATOM 778 NE2 GLN A 126 0.772 -5.290 10.899 1.00 0.00 N ATOM 0 H GLN A 126 4.121 -3.353 8.034 1.00 0.00 H new ATOM 0 HA GLN A 126 1.958 -3.105 6.386 1.00 0.00 H new ATOM 0 HB2 GLN A 126 0.652 -3.931 8.424 1.00 0.00 H new ATOM 0 HB3 GLN A 126 2.025 -4.901 7.928 1.00 0.00 H new ATOM 0 HG2 GLN A 126 3.401 -3.678 9.684 1.00 0.00 H new ATOM 0 HG3 GLN A 126 1.911 -2.948 10.248 1.00 0.00 H new ATOM 0 HE21 GLN A 126 0.044 -4.662 10.559 1.00 0.00 H new ATOM 0 HE22 GLN A 126 0.523 -6.100 11.467 1.00 0.00 H new ATOM 787 N ILE A 127 0.782 -0.970 6.731 1.00 0.00 N ATOM 788 CA ILE A 127 0.025 0.262 6.909 1.00 0.00 C ATOM 789 C ILE A 127 -1.434 -0.033 7.239 1.00 0.00 C ATOM 790 O ILE A 127 -2.207 -0.437 6.370 1.00 0.00 O ATOM 791 CB ILE A 127 0.086 1.145 5.648 1.00 0.00 C ATOM 792 CG1 ILE A 127 1.540 1.465 5.293 1.00 0.00 C ATOM 793 CG2 ILE A 127 -0.708 2.425 5.859 1.00 0.00 C ATOM 794 CD1 ILE A 127 2.361 1.929 6.476 1.00 0.00 C ATOM 0 H ILE A 127 0.758 -1.346 5.783 1.00 0.00 H new ATOM 0 HA ILE A 127 0.482 0.797 7.741 1.00 0.00 H new ATOM 0 HB ILE A 127 -0.359 0.598 4.817 1.00 0.00 H new ATOM 0 HG12 ILE A 127 2.005 0.577 4.864 1.00 0.00 H new ATOM 0 HG13 ILE A 127 1.557 2.237 4.524 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -0.655 3.038 4.959 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -1.749 2.177 6.069 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -0.290 2.978 6.700 1.00 0.00 H new ATOM 0 HD11 ILE A 127 3.380 2.138 6.152 1.00 0.00 H new ATOM 0 HD12 ILE A 127 1.920 2.835 6.892 1.00 0.00 H new ATOM 0 HD13 ILE A 127 2.375 1.149 7.237 1.00 0.00 H new ATOM 806 N GLU A 128 -1.803 0.169 8.500 1.00 0.00 N ATOM 807 CA GLU A 128 -3.170 -0.078 8.943 1.00 0.00 C ATOM 808 C GLU A 128 -4.126 0.959 8.364 1.00 0.00 C ATOM 809 O GLU A 128 -3.779 2.133 8.231 1.00 0.00 O ATOM 810 CB GLU A 128 -3.243 -0.059 10.472 1.00 0.00 C ATOM 811 CG GLU A 128 -3.378 1.337 11.057 1.00 0.00 C ATOM 812 CD GLU A 128 -2.679 1.477 12.395 1.00 0.00 C ATOM 813 OE1 GLU A 128 -3.283 1.107 13.423 1.00 0.00 O ATOM 814 OE2 GLU A 128 -1.526 1.959 12.414 1.00 0.00 O ATOM 0 H GLU A 128 -1.175 0.502 9.232 1.00 0.00 H new ATOM 0 HA GLU A 128 -3.470 -1.062 8.583 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -4.091 -0.663 10.794 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -2.346 -0.528 10.876 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -2.964 2.062 10.357 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -4.435 1.577 11.176 1.00 0.00 H new ATOM 821 N ALA A 129 -5.333 0.520 8.021 1.00 0.00 N ATOM 822 CA ALA A 129 -6.339 1.409 7.455 1.00 0.00 C ATOM 823 C ALA A 129 -6.785 2.453 8.473 1.00 0.00 C ATOM 824 O ALA A 129 -7.311 2.115 9.533 1.00 0.00 O ATOM 825 CB ALA A 129 -7.534 0.607 6.960 1.00 0.00 C ATOM 0 H ALA A 129 -5.638 -0.448 8.126 1.00 0.00 H new ATOM 0 HA ALA A 129 -5.891 1.932 6.610 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -8.278 1.284 6.540 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -7.208 -0.095 6.193 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -7.973 0.057 7.792 1.00 0.00 H new ATOM 831 N ASP A 130 -6.570 3.723 8.143 1.00 0.00 N ATOM 832 CA ASP A 130 -6.952 4.817 9.029 1.00 0.00 C ATOM 833 C ASP A 130 -8.296 5.408 8.616 1.00 0.00 C ATOM 834 O ASP A 130 -8.884 6.207 9.346 1.00 0.00 O ATOM 835 CB ASP A 130 -5.877 5.906 9.019 1.00 0.00 C ATOM 836 CG ASP A 130 -4.487 5.345 8.785 1.00 0.00 C ATOM 837 OD1 ASP A 130 -3.865 4.877 9.762 1.00 0.00 O ATOM 838 OD2 ASP A 130 -4.022 5.375 7.627 1.00 0.00 O ATOM 0 H ASP A 130 -6.134 4.019 7.270 1.00 0.00 H new ATOM 0 HA ASP A 130 -7.047 4.418 10.039 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -6.108 6.633 8.241 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -5.895 6.439 9.969 1.00 0.00 H new ATOM 843 N LYS A 131 -8.777 5.012 7.443 1.00 0.00 N ATOM 844 CA LYS A 131 -10.052 5.502 6.934 1.00 0.00 C ATOM 845 C LYS A 131 -10.586 4.590 5.834 1.00 0.00 C ATOM 846 O LYS A 131 -10.041 4.549 4.730 1.00 0.00 O ATOM 847 CB LYS A 131 -9.900 6.928 6.403 1.00 0.00 C ATOM 848 CG LYS A 131 -11.190 7.510 5.847 1.00 0.00 C ATOM 849 CD LYS A 131 -10.915 8.518 4.743 1.00 0.00 C ATOM 850 CE LYS A 131 -11.917 8.387 3.608 1.00 0.00 C ATOM 851 NZ LYS A 131 -11.926 9.592 2.734 1.00 0.00 N ATOM 0 H LYS A 131 -8.303 4.352 6.826 1.00 0.00 H new ATOM 0 HA LYS A 131 -10.766 5.504 7.757 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -9.538 7.570 7.206 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -9.140 6.937 5.621 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -11.816 6.706 5.460 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -11.749 7.991 6.650 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -10.957 9.528 5.152 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -9.906 8.371 4.358 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -11.676 7.507 3.011 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -12.914 8.230 4.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -12.622 9.463 1.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -12.180 10.428 3.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -10.982 9.728 2.320 1.00 0.00 H new ATOM 865 N SER A 132 -11.653 3.861 6.142 1.00 0.00 N ATOM 866 CA SER A 132 -12.260 2.948 5.180 1.00 0.00 C ATOM 867 C SER A 132 -12.195 3.521 3.768 1.00 0.00 C ATOM 868 O SER A 132 -12.376 4.722 3.566 1.00 0.00 O ATOM 869 CB SER A 132 -13.714 2.664 5.562 1.00 0.00 C ATOM 870 OG SER A 132 -14.375 3.849 5.972 1.00 0.00 O ATOM 0 H SER A 132 -12.116 3.884 7.051 1.00 0.00 H new ATOM 0 HA SER A 132 -11.698 2.014 5.199 1.00 0.00 H new ATOM 0 HB2 SER A 132 -14.238 2.227 4.712 1.00 0.00 H new ATOM 0 HB3 SER A 132 -13.745 1.930 6.367 1.00 0.00 H new ATOM 0 HG SER A 132 -15.303 3.641 6.209 1.00 0.00 H new ATOM 876 N GLY A 133 -11.937 2.655 2.794 1.00 0.00 N ATOM 877 CA GLY A 133 -11.853 3.095 1.415 1.00 0.00 C ATOM 878 C GLY A 133 -11.807 1.936 0.437 1.00 0.00 C ATOM 879 O GLY A 133 -12.110 0.799 0.797 1.00 0.00 O ATOM 0 H GLY A 133 -11.785 1.656 2.935 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -12.712 3.726 1.185 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -10.962 3.710 1.287 1.00 0.00 H new ATOM 883 N THR A 134 -11.426 2.227 -0.802 1.00 0.00 N ATOM 884 CA THR A 134 -11.341 1.204 -1.836 1.00 0.00 C ATOM 885 C THR A 134 -10.276 1.560 -2.869 1.00 0.00 C ATOM 886 O THR A 134 -10.447 2.495 -3.650 1.00 0.00 O ATOM 887 CB THR A 134 -12.694 1.037 -2.528 1.00 0.00 C ATOM 888 OG1 THR A 134 -13.710 0.751 -1.581 1.00 0.00 O ATOM 889 CG2 THR A 134 -12.706 -0.066 -3.562 1.00 0.00 C ATOM 0 H THR A 134 -11.171 3.164 -1.114 1.00 0.00 H new ATOM 0 HA THR A 134 -11.062 0.265 -1.359 1.00 0.00 H new ATOM 0 HB THR A 134 -12.879 1.986 -3.032 1.00 0.00 H new ATOM 0 HG1 THR A 134 -14.568 0.649 -2.043 1.00 0.00 H new ATOM 0 HG21 THR A 134 -13.696 -0.130 -4.014 1.00 0.00 H new ATOM 0 HG22 THR A 134 -11.968 0.151 -4.334 1.00 0.00 H new ATOM 0 HG23 THR A 134 -12.463 -1.015 -3.084 1.00 0.00 H new ATOM 897 N VAL A 135 -9.182 0.808 -2.869 1.00 0.00 N ATOM 898 CA VAL A 135 -8.096 1.049 -3.811 1.00 0.00 C ATOM 899 C VAL A 135 -8.641 1.356 -5.199 1.00 0.00 C ATOM 900 O VAL A 135 -9.622 0.757 -5.640 1.00 0.00 O ATOM 901 CB VAL A 135 -7.146 -0.158 -3.900 1.00 0.00 C ATOM 902 CG1 VAL A 135 -6.003 0.130 -4.861 1.00 0.00 C ATOM 903 CG2 VAL A 135 -6.616 -0.523 -2.522 1.00 0.00 C ATOM 0 H VAL A 135 -9.024 0.029 -2.230 1.00 0.00 H new ATOM 0 HA VAL A 135 -7.538 1.909 -3.440 1.00 0.00 H new ATOM 0 HB VAL A 135 -7.706 -1.010 -4.285 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -5.342 -0.735 -4.910 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -6.405 0.337 -5.853 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -5.442 0.996 -4.510 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -5.946 -1.379 -2.605 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -6.072 0.325 -2.105 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -7.450 -0.777 -1.867 1.00 0.00 H new ATOM 913 N LYS A 136 -7.998 2.292 -5.885 1.00 0.00 N ATOM 914 CA LYS A 136 -8.409 2.682 -7.219 1.00 0.00 C ATOM 915 C LYS A 136 -7.326 2.303 -8.213 1.00 0.00 C ATOM 916 O LYS A 136 -7.603 1.919 -9.350 1.00 0.00 O ATOM 917 CB LYS A 136 -8.679 4.193 -7.245 1.00 0.00 C ATOM 918 CG LYS A 136 -7.667 5.013 -8.035 1.00 0.00 C ATOM 919 CD LYS A 136 -7.523 6.408 -7.459 1.00 0.00 C ATOM 920 CE LYS A 136 -8.539 7.368 -8.057 1.00 0.00 C ATOM 921 NZ LYS A 136 -7.922 8.675 -8.418 1.00 0.00 N ATOM 0 H LYS A 136 -7.184 2.796 -5.533 1.00 0.00 H new ATOM 0 HA LYS A 136 -9.326 2.162 -7.497 1.00 0.00 H new ATOM 0 HB2 LYS A 136 -9.670 4.363 -7.666 1.00 0.00 H new ATOM 0 HB3 LYS A 136 -8.701 4.561 -6.219 1.00 0.00 H new ATOM 0 HG2 LYS A 136 -6.700 4.510 -8.024 1.00 0.00 H new ATOM 0 HG3 LYS A 136 -7.981 5.077 -9.077 1.00 0.00 H new ATOM 0 HD2 LYS A 136 -7.650 6.370 -6.377 1.00 0.00 H new ATOM 0 HD3 LYS A 136 -6.516 6.779 -7.649 1.00 0.00 H new ATOM 0 HE2 LYS A 136 -8.984 6.919 -8.945 1.00 0.00 H new ATOM 0 HE3 LYS A 136 -9.347 7.532 -7.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 -8.647 9.301 -8.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 -7.519 9.116 -7.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 -7.168 8.522 -9.118 1.00 0.00 H new ATOM 935 N ALA A 137 -6.089 2.429 -7.763 1.00 0.00 N ATOM 936 CA ALA A 137 -4.937 2.117 -8.589 1.00 0.00 C ATOM 937 C ALA A 137 -3.648 2.243 -7.788 1.00 0.00 C ATOM 938 O ALA A 137 -3.590 2.978 -6.804 1.00 0.00 O ATOM 939 CB ALA A 137 -4.905 3.044 -9.789 1.00 0.00 C ATOM 0 H ALA A 137 -5.857 2.748 -6.822 1.00 0.00 H new ATOM 0 HA ALA A 137 -5.021 1.086 -8.934 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -4.039 2.808 -10.408 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -5.816 2.914 -10.374 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -4.837 4.077 -9.449 1.00 0.00 H new ATOM 945 N ILE A 138 -2.616 1.528 -8.215 1.00 0.00 N ATOM 946 CA ILE A 138 -1.334 1.575 -7.534 1.00 0.00 C ATOM 947 C ILE A 138 -0.349 2.439 -8.314 1.00 0.00 C ATOM 948 O ILE A 138 0.446 1.931 -9.105 1.00 0.00 O ATOM 949 CB ILE A 138 -0.734 0.164 -7.345 1.00 0.00 C ATOM 950 CG1 ILE A 138 -1.750 -0.914 -7.733 1.00 0.00 C ATOM 951 CG2 ILE A 138 -0.281 -0.025 -5.907 1.00 0.00 C ATOM 952 CD1 ILE A 138 -3.063 -0.802 -6.988 1.00 0.00 C ATOM 0 H ILE A 138 -2.643 0.911 -9.027 1.00 0.00 H new ATOM 0 HA ILE A 138 -1.508 2.010 -6.550 1.00 0.00 H new ATOM 0 HB ILE A 138 0.132 0.066 -8.000 1.00 0.00 H new ATOM 0 HG12 ILE A 138 -1.943 -0.852 -8.804 1.00 0.00 H new ATOM 0 HG13 ILE A 138 -1.316 -1.896 -7.543 1.00 0.00 H new ATOM 0 HG21 ILE A 138 0.140 -1.023 -5.786 1.00 0.00 H new ATOM 0 HG22 ILE A 138 0.476 0.720 -5.663 1.00 0.00 H new ATOM 0 HG23 ILE A 138 -1.134 0.092 -5.238 1.00 0.00 H new ATOM 0 HD11 ILE A 138 -3.735 -1.597 -7.313 1.00 0.00 H new ATOM 0 HD12 ILE A 138 -2.883 -0.894 -5.917 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -3.519 0.166 -7.197 1.00 0.00 H new ATOM 964 N LEU A 139 -0.410 3.748 -8.088 1.00 0.00 N ATOM 965 CA LEU A 139 0.478 4.680 -8.775 1.00 0.00 C ATOM 966 C LEU A 139 1.885 4.112 -8.845 1.00 0.00 C ATOM 967 O LEU A 139 2.645 4.407 -9.768 1.00 0.00 O ATOM 968 CB LEU A 139 0.495 6.035 -8.063 1.00 0.00 C ATOM 969 CG LEU A 139 -0.797 6.402 -7.332 1.00 0.00 C ATOM 970 CD1 LEU A 139 -0.727 5.964 -5.878 1.00 0.00 C ATOM 971 CD2 LEU A 139 -1.059 7.897 -7.430 1.00 0.00 C ATOM 0 H LEU A 139 -1.062 4.186 -7.437 1.00 0.00 H new ATOM 0 HA LEU A 139 0.104 4.825 -9.788 1.00 0.00 H new ATOM 0 HB2 LEU A 139 1.314 6.040 -7.344 1.00 0.00 H new ATOM 0 HB3 LEU A 139 0.711 6.811 -8.797 1.00 0.00 H new ATOM 0 HG LEU A 139 -1.625 5.878 -7.809 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -1.654 6.233 -5.372 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -0.587 4.884 -5.830 1.00 0.00 H new ATOM 0 HD13 LEU A 139 0.111 6.461 -5.388 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -1.982 8.140 -6.904 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -0.230 8.442 -6.978 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -1.152 8.182 -8.478 1.00 0.00 H new ATOM 983 N VAL A 140 2.221 3.290 -7.860 1.00 0.00 N ATOM 984 CA VAL A 140 3.529 2.666 -7.795 1.00 0.00 C ATOM 985 C VAL A 140 3.455 1.209 -8.225 1.00 0.00 C ATOM 986 O VAL A 140 2.569 0.469 -7.798 1.00 0.00 O ATOM 987 CB VAL A 140 4.105 2.732 -6.374 1.00 0.00 C ATOM 988 CG1 VAL A 140 5.386 1.918 -6.275 1.00 0.00 C ATOM 989 CG2 VAL A 140 4.345 4.175 -5.959 1.00 0.00 C ATOM 0 H VAL A 140 1.598 3.041 -7.091 1.00 0.00 H new ATOM 0 HA VAL A 140 4.181 3.216 -8.474 1.00 0.00 H new ATOM 0 HB VAL A 140 3.376 2.300 -5.688 1.00 0.00 H new ATOM 0 HG11 VAL A 140 5.778 1.978 -5.260 1.00 0.00 H new ATOM 0 HG12 VAL A 140 5.176 0.877 -6.522 1.00 0.00 H new ATOM 0 HG13 VAL A 140 6.124 2.314 -6.973 1.00 0.00 H new ATOM 0 HG21 VAL A 140 4.753 4.200 -4.949 1.00 0.00 H new ATOM 0 HG22 VAL A 140 5.051 4.639 -6.647 1.00 0.00 H new ATOM 0 HG23 VAL A 140 3.403 4.722 -5.983 1.00 0.00 H new ATOM 999 N GLU A 141 4.394 0.798 -9.064 1.00 0.00 N ATOM 1000 CA GLU A 141 4.435 -0.576 -9.543 1.00 0.00 C ATOM 1001 C GLU A 141 4.772 -1.521 -8.398 1.00 0.00 C ATOM 1002 O GLU A 141 5.934 -1.643 -8.009 1.00 0.00 O ATOM 1003 CB GLU A 141 5.466 -0.722 -10.664 1.00 0.00 C ATOM 1004 CG GLU A 141 4.870 -0.619 -12.058 1.00 0.00 C ATOM 1005 CD GLU A 141 5.907 -0.798 -13.150 1.00 0.00 C ATOM 1006 OE1 GLU A 141 7.067 -0.385 -12.940 1.00 0.00 O ATOM 1007 OE2 GLU A 141 5.559 -1.351 -14.214 1.00 0.00 O ATOM 0 H GLU A 141 5.137 1.395 -9.427 1.00 0.00 H new ATOM 0 HA GLU A 141 3.452 -0.834 -9.938 1.00 0.00 H new ATOM 0 HB2 GLU A 141 6.229 0.048 -10.547 1.00 0.00 H new ATOM 0 HB3 GLU A 141 5.966 -1.685 -10.562 1.00 0.00 H new ATOM 0 HG2 GLU A 141 4.092 -1.374 -12.173 1.00 0.00 H new ATOM 0 HG3 GLU A 141 4.390 0.353 -12.173 1.00 0.00 H new ATOM 1014 N SER A 142 3.750 -2.178 -7.855 1.00 0.00 N ATOM 1015 CA SER A 142 3.943 -3.103 -6.746 1.00 0.00 C ATOM 1016 C SER A 142 5.279 -3.826 -6.871 1.00 0.00 C ATOM 1017 O SER A 142 5.644 -4.290 -7.952 1.00 0.00 O ATOM 1018 CB SER A 142 2.807 -4.122 -6.687 1.00 0.00 C ATOM 1019 OG SER A 142 2.509 -4.632 -7.976 1.00 0.00 O ATOM 0 H SER A 142 2.783 -2.086 -8.165 1.00 0.00 H new ATOM 0 HA SER A 142 3.943 -2.522 -5.824 1.00 0.00 H new ATOM 0 HB2 SER A 142 3.084 -4.941 -6.024 1.00 0.00 H new ATOM 0 HB3 SER A 142 1.918 -3.655 -6.263 1.00 0.00 H new ATOM 0 HG SER A 142 2.176 -5.550 -7.896 1.00 0.00 H new ATOM 1025 N GLY A 143 6.007 -3.915 -5.766 1.00 0.00 N ATOM 1026 CA GLY A 143 7.296 -4.580 -5.783 1.00 0.00 C ATOM 1027 C GLY A 143 8.396 -3.686 -6.319 1.00 0.00 C ATOM 1028 O GLY A 143 9.270 -4.143 -7.055 1.00 0.00 O ATOM 0 H GLY A 143 5.729 -3.539 -4.859 1.00 0.00 H new ATOM 0 HA2 GLY A 143 7.551 -4.900 -4.773 1.00 0.00 H new ATOM 0 HA3 GLY A 143 7.231 -5.479 -6.395 1.00 0.00 H new ATOM 1032 N GLN A 144 8.353 -2.409 -5.952 1.00 0.00 N ATOM 1033 CA GLN A 144 9.357 -1.454 -6.406 1.00 0.00 C ATOM 1034 C GLN A 144 9.592 -0.366 -5.361 1.00 0.00 C ATOM 1035 O GLN A 144 8.654 0.119 -4.730 1.00 0.00 O ATOM 1036 CB GLN A 144 8.931 -0.825 -7.736 1.00 0.00 C ATOM 1037 CG GLN A 144 7.975 0.347 -7.584 1.00 0.00 C ATOM 1038 CD GLN A 144 8.606 1.666 -7.984 1.00 0.00 C ATOM 1039 OE1 GLN A 144 9.797 1.890 -7.764 1.00 0.00 O ATOM 1040 NE2 GLN A 144 7.810 2.549 -8.577 1.00 0.00 N ATOM 0 H GLN A 144 7.636 -2.013 -5.344 1.00 0.00 H new ATOM 0 HA GLN A 144 10.293 -1.993 -6.553 1.00 0.00 H new ATOM 0 HB2 GLN A 144 9.820 -0.489 -8.269 1.00 0.00 H new ATOM 0 HB3 GLN A 144 8.459 -1.589 -8.353 1.00 0.00 H new ATOM 0 HG2 GLN A 144 7.090 0.171 -8.195 1.00 0.00 H new ATOM 0 HG3 GLN A 144 7.641 0.407 -6.548 1.00 0.00 H new ATOM 0 HE21 GLN A 144 6.829 2.322 -8.740 1.00 0.00 H new ATOM 0 HE22 GLN A 144 8.180 3.454 -8.869 1.00 0.00 H new ATOM 1049 N PRO A 145 10.861 0.025 -5.164 1.00 0.00 N ATOM 1050 CA PRO A 145 11.234 1.056 -4.188 1.00 0.00 C ATOM 1051 C PRO A 145 10.554 2.392 -4.466 1.00 0.00 C ATOM 1052 O PRO A 145 10.118 2.659 -5.585 1.00 0.00 O ATOM 1053 CB PRO A 145 12.752 1.188 -4.359 1.00 0.00 C ATOM 1054 CG PRO A 145 13.182 -0.081 -5.010 1.00 0.00 C ATOM 1055 CD PRO A 145 12.033 -0.512 -5.874 1.00 0.00 C ATOM 0 HA PRO A 145 10.929 0.782 -3.178 1.00 0.00 H new ATOM 0 HB2 PRO A 145 13.006 2.052 -4.974 1.00 0.00 H new ATOM 0 HB3 PRO A 145 13.246 1.325 -3.397 1.00 0.00 H new ATOM 0 HG2 PRO A 145 14.082 0.071 -5.605 1.00 0.00 H new ATOM 0 HG3 PRO A 145 13.417 -0.841 -4.265 1.00 0.00 H new ATOM 0 HD2 PRO A 145 12.113 -0.107 -6.883 1.00 0.00 H new ATOM 0 HD3 PRO A 145 11.985 -1.597 -5.969 1.00 0.00 H new ATOM 1063 N VAL A 146 10.472 3.229 -3.437 1.00 0.00 N ATOM 1064 CA VAL A 146 9.850 4.541 -3.563 1.00 0.00 C ATOM 1065 C VAL A 146 10.528 5.557 -2.649 1.00 0.00 C ATOM 1066 O VAL A 146 11.543 5.259 -2.020 1.00 0.00 O ATOM 1067 CB VAL A 146 8.348 4.487 -3.227 1.00 0.00 C ATOM 1068 CG1 VAL A 146 7.593 3.684 -4.275 1.00 0.00 C ATOM 1069 CG2 VAL A 146 8.131 3.903 -1.839 1.00 0.00 C ATOM 0 H VAL A 146 10.830 3.021 -2.505 1.00 0.00 H new ATOM 0 HA VAL A 146 9.970 4.850 -4.601 1.00 0.00 H new ATOM 0 HB VAL A 146 7.958 5.505 -3.233 1.00 0.00 H new ATOM 0 HG11 VAL A 146 6.534 3.658 -4.020 1.00 0.00 H new ATOM 0 HG12 VAL A 146 7.719 4.151 -5.252 1.00 0.00 H new ATOM 0 HG13 VAL A 146 7.984 2.667 -4.306 1.00 0.00 H new ATOM 0 HG21 VAL A 146 7.064 3.873 -1.620 1.00 0.00 H new ATOM 0 HG22 VAL A 146 8.538 2.892 -1.802 1.00 0.00 H new ATOM 0 HG23 VAL A 146 8.636 4.525 -1.100 1.00 0.00 H new ATOM 1079 N GLU A 147 9.961 6.756 -2.579 1.00 0.00 N ATOM 1080 CA GLU A 147 10.513 7.813 -1.740 1.00 0.00 C ATOM 1081 C GLU A 147 9.405 8.562 -1.008 1.00 0.00 C ATOM 1082 O GLU A 147 8.220 8.316 -1.236 1.00 0.00 O ATOM 1083 CB GLU A 147 11.334 8.789 -2.585 1.00 0.00 C ATOM 1084 CG GLU A 147 10.585 9.332 -3.791 1.00 0.00 C ATOM 1085 CD GLU A 147 10.844 10.808 -4.022 1.00 0.00 C ATOM 1086 OE1 GLU A 147 11.142 11.518 -3.039 1.00 0.00 O ATOM 1087 OE2 GLU A 147 10.752 11.252 -5.185 1.00 0.00 O ATOM 0 H GLU A 147 9.120 7.020 -3.093 1.00 0.00 H new ATOM 0 HA GLU A 147 11.164 7.350 -0.998 1.00 0.00 H new ATOM 0 HB2 GLU A 147 11.649 9.623 -1.958 1.00 0.00 H new ATOM 0 HB3 GLU A 147 12.240 8.288 -2.926 1.00 0.00 H new ATOM 0 HG2 GLU A 147 10.879 8.772 -4.679 1.00 0.00 H new ATOM 0 HG3 GLU A 147 9.516 9.172 -3.652 1.00 0.00 H new ATOM 1094 N PHE A 148 9.797 9.474 -0.125 1.00 0.00 N ATOM 1095 CA PHE A 148 8.836 10.257 0.641 1.00 0.00 C ATOM 1096 C PHE A 148 7.859 10.979 -0.288 1.00 0.00 C ATOM 1097 O PHE A 148 8.250 11.487 -1.339 1.00 0.00 O ATOM 1098 CB PHE A 148 9.565 11.264 1.540 1.00 0.00 C ATOM 1099 CG PHE A 148 9.730 12.627 0.925 1.00 0.00 C ATOM 1100 CD1 PHE A 148 8.753 13.600 1.096 1.00 0.00 C ATOM 1101 CD2 PHE A 148 10.862 12.935 0.178 1.00 0.00 C ATOM 1102 CE1 PHE A 148 8.900 14.857 0.531 1.00 0.00 C ATOM 1103 CE2 PHE A 148 11.014 14.191 -0.389 1.00 0.00 C ATOM 1104 CZ PHE A 148 10.032 15.154 -0.212 1.00 0.00 C ATOM 0 H PHE A 148 10.773 9.689 0.078 1.00 0.00 H new ATOM 0 HA PHE A 148 8.265 9.576 1.272 1.00 0.00 H new ATOM 0 HB2 PHE A 148 9.016 11.363 2.476 1.00 0.00 H new ATOM 0 HB3 PHE A 148 10.549 10.867 1.788 1.00 0.00 H new ATOM 0 HD1 PHE A 148 7.870 13.374 1.675 1.00 0.00 H new ATOM 0 HD2 PHE A 148 11.630 12.189 0.038 1.00 0.00 H new ATOM 0 HE1 PHE A 148 8.133 15.605 0.670 1.00 0.00 H new ATOM 0 HE2 PHE A 148 11.897 14.419 -0.968 1.00 0.00 H new ATOM 0 HZ PHE A 148 10.149 16.133 -0.652 1.00 0.00 H new ATOM 1114 N ASP A 149 6.590 11.021 0.106 1.00 0.00 N ATOM 1115 CA ASP A 149 5.565 11.682 -0.696 1.00 0.00 C ATOM 1116 C ASP A 149 5.465 11.050 -2.078 1.00 0.00 C ATOM 1117 O ASP A 149 5.196 11.732 -3.066 1.00 0.00 O ATOM 1118 CB ASP A 149 5.872 13.175 -0.825 1.00 0.00 C ATOM 1119 CG ASP A 149 4.717 14.045 -0.369 1.00 0.00 C ATOM 1120 OD1 ASP A 149 3.554 13.660 -0.607 1.00 0.00 O ATOM 1121 OD2 ASP A 149 4.978 15.111 0.228 1.00 0.00 O ATOM 0 H ASP A 149 6.247 10.607 0.973 1.00 0.00 H new ATOM 0 HA ASP A 149 4.607 11.558 -0.190 1.00 0.00 H new ATOM 0 HB2 ASP A 149 6.757 13.413 -0.235 1.00 0.00 H new ATOM 0 HB3 ASP A 149 6.109 13.406 -1.864 1.00 0.00 H new ATOM 1126 N GLU A 150 5.681 9.741 -2.138 1.00 0.00 N ATOM 1127 CA GLU A 150 5.614 9.016 -3.399 1.00 0.00 C ATOM 1128 C GLU A 150 4.383 8.116 -3.444 1.00 0.00 C ATOM 1129 O GLU A 150 4.489 6.897 -3.315 1.00 0.00 O ATOM 1130 CB GLU A 150 6.880 8.181 -3.599 1.00 0.00 C ATOM 1131 CG GLU A 150 7.145 7.814 -5.051 1.00 0.00 C ATOM 1132 CD GLU A 150 5.870 7.675 -5.860 1.00 0.00 C ATOM 1133 OE1 GLU A 150 5.357 8.706 -6.342 1.00 0.00 O ATOM 1134 OE2 GLU A 150 5.387 6.534 -6.014 1.00 0.00 O ATOM 0 H GLU A 150 5.904 9.162 -1.329 1.00 0.00 H new ATOM 0 HA GLU A 150 5.538 9.745 -4.206 1.00 0.00 H new ATOM 0 HB2 GLU A 150 7.735 8.735 -3.211 1.00 0.00 H new ATOM 0 HB3 GLU A 150 6.799 7.267 -3.011 1.00 0.00 H new ATOM 0 HG2 GLU A 150 7.777 8.577 -5.505 1.00 0.00 H new ATOM 0 HG3 GLU A 150 7.699 6.876 -5.089 1.00 0.00 H new ATOM 1141 N PRO A 151 3.196 8.713 -3.635 1.00 0.00 N ATOM 1142 CA PRO A 151 1.940 7.975 -3.708 1.00 0.00 C ATOM 1143 C PRO A 151 2.118 6.601 -4.345 1.00 0.00 C ATOM 1144 O PRO A 151 2.786 6.467 -5.370 1.00 0.00 O ATOM 1145 CB PRO A 151 1.087 8.882 -4.587 1.00 0.00 C ATOM 1146 CG PRO A 151 1.543 10.267 -4.249 1.00 0.00 C ATOM 1147 CD PRO A 151 2.985 10.160 -3.804 1.00 0.00 C ATOM 0 HA PRO A 151 1.507 7.768 -2.730 1.00 0.00 H new ATOM 0 HB2 PRO A 151 1.234 8.663 -5.645 1.00 0.00 H new ATOM 0 HB3 PRO A 151 0.025 8.752 -4.379 1.00 0.00 H new ATOM 0 HG2 PRO A 151 1.454 10.924 -5.114 1.00 0.00 H new ATOM 0 HG3 PRO A 151 0.926 10.694 -3.459 1.00 0.00 H new ATOM 0 HD2 PRO A 151 3.664 10.579 -4.546 1.00 0.00 H new ATOM 0 HD3 PRO A 151 3.157 10.700 -2.873 1.00 0.00 H new ATOM 1155 N LEU A 152 1.534 5.580 -3.724 1.00 0.00 N ATOM 1156 CA LEU A 152 1.652 4.217 -4.234 1.00 0.00 C ATOM 1157 C LEU A 152 0.288 3.548 -4.380 1.00 0.00 C ATOM 1158 O LEU A 152 -0.025 2.984 -5.428 1.00 0.00 O ATOM 1159 CB LEU A 152 2.534 3.381 -3.303 1.00 0.00 C ATOM 1160 CG LEU A 152 3.557 4.172 -2.485 1.00 0.00 C ATOM 1161 CD1 LEU A 152 3.367 3.913 -0.999 1.00 0.00 C ATOM 1162 CD2 LEU A 152 4.971 3.812 -2.915 1.00 0.00 C ATOM 0 H LEU A 152 0.978 5.669 -2.873 1.00 0.00 H new ATOM 0 HA LEU A 152 2.109 4.275 -5.222 1.00 0.00 H new ATOM 0 HB2 LEU A 152 1.890 2.832 -2.616 1.00 0.00 H new ATOM 0 HB3 LEU A 152 3.066 2.641 -3.901 1.00 0.00 H new ATOM 0 HG LEU A 152 3.401 5.235 -2.669 1.00 0.00 H new ATOM 0 HD11 LEU A 152 4.103 4.484 -0.433 1.00 0.00 H new ATOM 0 HD12 LEU A 152 2.364 4.219 -0.702 1.00 0.00 H new ATOM 0 HD13 LEU A 152 3.497 2.850 -0.795 1.00 0.00 H new ATOM 0 HD21 LEU A 152 5.687 4.383 -2.324 1.00 0.00 H new ATOM 0 HD22 LEU A 152 5.139 2.746 -2.758 1.00 0.00 H new ATOM 0 HD23 LEU A 152 5.102 4.049 -3.971 1.00 0.00 H new ATOM 1174 N VAL A 153 -0.511 3.597 -3.321 1.00 0.00 N ATOM 1175 CA VAL A 153 -1.829 2.980 -3.327 1.00 0.00 C ATOM 1176 C VAL A 153 -2.930 4.012 -3.130 1.00 0.00 C ATOM 1177 O VAL A 153 -3.064 4.595 -2.056 1.00 0.00 O ATOM 1178 CB VAL A 153 -1.944 1.911 -2.225 1.00 0.00 C ATOM 1179 CG1 VAL A 153 -1.418 2.451 -0.904 1.00 0.00 C ATOM 1180 CG2 VAL A 153 -3.385 1.442 -2.081 1.00 0.00 C ATOM 0 H VAL A 153 -0.267 4.059 -2.445 1.00 0.00 H new ATOM 0 HA VAL A 153 -1.953 2.511 -4.303 1.00 0.00 H new ATOM 0 HB VAL A 153 -1.335 1.053 -2.511 1.00 0.00 H new ATOM 0 HG11 VAL A 153 -1.507 1.683 -0.136 1.00 0.00 H new ATOM 0 HG12 VAL A 153 -0.371 2.732 -1.017 1.00 0.00 H new ATOM 0 HG13 VAL A 153 -1.999 3.326 -0.611 1.00 0.00 H new ATOM 0 HG21 VAL A 153 -3.445 0.687 -1.297 1.00 0.00 H new ATOM 0 HG22 VAL A 153 -4.019 2.289 -1.818 1.00 0.00 H new ATOM 0 HG23 VAL A 153 -3.724 1.014 -3.024 1.00 0.00 H new ATOM 1190 N VAL A 154 -3.723 4.223 -4.172 1.00 0.00 N ATOM 1191 CA VAL A 154 -4.824 5.179 -4.112 1.00 0.00 C ATOM 1192 C VAL A 154 -6.136 4.477 -3.779 1.00 0.00 C ATOM 1193 O VAL A 154 -6.493 3.482 -4.409 1.00 0.00 O ATOM 1194 CB VAL A 154 -4.994 5.943 -5.439 1.00 0.00 C ATOM 1195 CG1 VAL A 154 -5.509 7.349 -5.176 1.00 0.00 C ATOM 1196 CG2 VAL A 154 -3.684 5.987 -6.211 1.00 0.00 C ATOM 0 H VAL A 154 -3.626 3.746 -5.069 1.00 0.00 H new ATOM 0 HA VAL A 154 -4.575 5.891 -3.325 1.00 0.00 H new ATOM 0 HB VAL A 154 -5.726 5.413 -6.049 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -5.624 7.877 -6.122 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -6.473 7.295 -4.671 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -4.799 7.885 -4.546 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -3.830 6.532 -7.144 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -2.925 6.490 -5.612 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -3.357 4.971 -6.431 1.00 0.00 H new ATOM 1206 N ILE A 155 -6.849 5.004 -2.786 1.00 0.00 N ATOM 1207 CA ILE A 155 -8.123 4.428 -2.366 1.00 0.00 C ATOM 1208 C ILE A 155 -9.279 5.383 -2.675 1.00 0.00 C ATOM 1209 O ILE A 155 -9.080 6.589 -2.817 1.00 0.00 O ATOM 1210 CB ILE A 155 -8.094 4.061 -0.853 1.00 0.00 C ATOM 1211 CG1 ILE A 155 -8.215 2.547 -0.679 1.00 0.00 C ATOM 1212 CG2 ILE A 155 -9.190 4.774 -0.063 1.00 0.00 C ATOM 1213 CD1 ILE A 155 -7.398 2.003 0.473 1.00 0.00 C ATOM 0 H ILE A 155 -6.566 5.829 -2.258 1.00 0.00 H new ATOM 0 HA ILE A 155 -8.283 3.510 -2.932 1.00 0.00 H new ATOM 0 HB ILE A 155 -7.138 4.399 -0.453 1.00 0.00 H new ATOM 0 HG12 ILE A 155 -9.263 2.290 -0.524 1.00 0.00 H new ATOM 0 HG13 ILE A 155 -7.900 2.057 -1.600 1.00 0.00 H new ATOM 0 HG21 ILE A 155 -9.128 4.486 0.986 1.00 0.00 H new ATOM 0 HG22 ILE A 155 -9.059 5.853 -0.151 1.00 0.00 H new ATOM 0 HG23 ILE A 155 -10.166 4.493 -0.460 1.00 0.00 H new ATOM 0 HD11 ILE A 155 -7.532 0.923 0.536 1.00 0.00 H new ATOM 0 HD12 ILE A 155 -6.344 2.229 0.310 1.00 0.00 H new ATOM 0 HD13 ILE A 155 -7.728 2.465 1.403 1.00 0.00 H new ATOM 1225 N GLU A 156 -10.487 4.832 -2.780 1.00 0.00 N ATOM 1226 CA GLU A 156 -11.670 5.633 -3.071 1.00 0.00 C ATOM 1227 C GLU A 156 -12.640 5.621 -1.895 1.00 0.00 C ATOM 1228 O GLU A 156 -12.973 4.516 -1.415 1.00 0.00 O ATOM 1229 CB GLU A 156 -12.368 5.108 -4.328 1.00 0.00 C ATOM 1230 CG GLU A 156 -13.626 5.879 -4.693 1.00 0.00 C ATOM 1231 CD GLU A 156 -14.591 5.058 -5.526 1.00 0.00 C ATOM 1232 OE1 GLU A 156 -14.224 3.932 -5.922 1.00 0.00 O ATOM 1233 OE2 GLU A 156 -15.714 5.540 -5.781 1.00 0.00 O ATOM 1234 OXT GLU A 156 -13.058 6.716 -1.462 1.00 0.00 O ATOM 0 H GLU A 156 -10.670 3.835 -2.668 1.00 0.00 H new ATOM 0 HA GLU A 156 -11.349 6.661 -3.242 1.00 0.00 H new ATOM 0 HB2 GLU A 156 -11.671 5.150 -5.165 1.00 0.00 H new ATOM 0 HB3 GLU A 156 -12.625 4.059 -4.179 1.00 0.00 H new ATOM 0 HG2 GLU A 156 -14.126 6.205 -3.781 1.00 0.00 H new ATOM 0 HG3 GLU A 156 -13.350 6.778 -5.244 1.00 0.00 H new TER 1241 GLU A 156