USER MOD reduce.3.24.130724 H: found=0, std=0, add=926, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 927 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 ASN : amide:sc= -2.49! K(o=-2.5!,f=-0.63) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -1.48! K(o=-1.5!,f=-0.64) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -160:sc=-0.00195 (180deg=-0.161) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -79:sc= 0.629 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 ASN : amide:sc= -0.0668 X(o=-0.067,f=0) USER MOD Single : A 30 HIS : no HE2:sc= 0.0229 X(o=0.023,f=-0.14) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot 142:sc= 1.23 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0.26) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -178:sc= -0.463 USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 56:sc= 0.657 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= -3.56! C(o=-3.6!,f=-8.2!) USER MOD Single : A 68 ASN : amide:sc= -0.0257 X(o=-0.026,f=-0.44) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.937 K(o=-0.94,f=-1.7!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.521 K(o=-0.52,f=-1.9) USER MOD Single : A 83 ASN : amide:sc= -0.418 X(o=-0.42,f=-0.52) USER MOD Single : A 84 HIS : no HD1:sc= -1.2 X(o=-1.2,f=-1.7) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 103:sc= 0.232 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot -59:sc= 0.207 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.00602 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 40 N ASN A 4 -6.825 -12.712 -9.702 1.00 0.00 N ATOM 41 CA ASN A 4 -6.104 -11.552 -9.192 1.00 0.00 C ATOM 42 C ASN A 4 -5.420 -11.877 -7.864 1.00 0.00 C ATOM 43 O ASN A 4 -5.979 -12.594 -7.033 1.00 0.00 O ATOM 44 CB ASN A 4 -7.060 -10.371 -9.012 1.00 0.00 C ATOM 45 CG ASN A 4 -6.372 -9.033 -9.200 1.00 0.00 C ATOM 46 OD1 ASN A 4 -6.204 -8.560 -10.324 1.00 0.00 O ATOM 47 ND2 ASN A 4 -5.968 -8.415 -8.096 1.00 0.00 N ATOM 0 HA ASN A 4 -5.337 -11.282 -9.918 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.879 -10.458 -9.726 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -7.500 -10.413 -8.016 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -5.498 -7.512 -8.160 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -6.128 -8.843 -7.184 1.00 0.00 H new ATOM 54 N PRO A 5 -4.197 -11.356 -7.645 1.00 0.00 N ATOM 55 CA PRO A 5 -3.446 -11.598 -6.407 1.00 0.00 C ATOM 56 C PRO A 5 -4.215 -11.157 -5.166 1.00 0.00 C ATOM 57 O PRO A 5 -4.045 -11.721 -4.085 1.00 0.00 O ATOM 58 CB PRO A 5 -2.180 -10.751 -6.577 1.00 0.00 C ATOM 59 CG PRO A 5 -2.047 -10.548 -8.047 1.00 0.00 C ATOM 60 CD PRO A 5 -3.449 -10.498 -8.582 1.00 0.00 C ATOM 0 HA PRO A 5 -3.246 -12.659 -6.259 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -2.269 -9.799 -6.053 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.307 -11.260 -6.168 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -1.511 -9.625 -8.267 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -1.483 -11.361 -8.504 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -3.839 -9.480 -8.595 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -3.504 -10.874 -9.604 1.00 0.00 H new ATOM 68 N ALA A 6 -5.062 -10.145 -5.330 1.00 0.00 N ATOM 69 CA ALA A 6 -5.857 -9.627 -4.223 1.00 0.00 C ATOM 70 C ALA A 6 -6.923 -10.630 -3.795 1.00 0.00 C ATOM 71 O ALA A 6 -7.336 -10.655 -2.635 1.00 0.00 O ATOM 72 CB ALA A 6 -6.500 -8.303 -4.610 1.00 0.00 C ATOM 0 H ALA A 6 -5.215 -9.668 -6.219 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.191 -9.462 -3.376 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.091 -7.927 -3.774 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -5.723 -7.580 -4.859 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -7.147 -8.452 -5.474 1.00 0.00 H new ATOM 78 N GLU A 7 -7.363 -11.456 -4.739 1.00 0.00 N ATOM 79 CA GLU A 7 -8.381 -12.463 -4.462 1.00 0.00 C ATOM 80 C GLU A 7 -7.770 -13.684 -3.781 1.00 0.00 C ATOM 81 O GLU A 7 -8.291 -14.174 -2.780 1.00 0.00 O ATOM 82 CB GLU A 7 -9.078 -12.883 -5.757 1.00 0.00 C ATOM 83 CG GLU A 7 -10.292 -12.034 -6.097 1.00 0.00 C ATOM 84 CD GLU A 7 -11.017 -12.523 -7.335 1.00 0.00 C ATOM 85 OE1 GLU A 7 -11.930 -13.365 -7.196 1.00 0.00 O ATOM 86 OE2 GLU A 7 -10.674 -12.064 -8.445 1.00 0.00 O ATOM 0 H GLU A 7 -7.030 -11.448 -5.703 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.116 -12.024 -3.787 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.364 -12.827 -6.579 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.386 -13.925 -5.673 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.981 -12.037 -5.252 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.978 -11.001 -6.249 1.00 0.00 H new ATOM 93 N ASN A 8 -6.661 -14.167 -4.331 1.00 0.00 N ATOM 94 CA ASN A 8 -5.978 -15.333 -3.780 1.00 0.00 C ATOM 95 C ASN A 8 -5.429 -15.033 -2.389 1.00 0.00 C ATOM 96 O ASN A 8 -5.278 -15.932 -1.562 1.00 0.00 O ATOM 97 CB ASN A 8 -4.842 -15.771 -4.706 1.00 0.00 C ATOM 98 CG ASN A 8 -4.532 -17.250 -4.580 1.00 0.00 C ATOM 99 OD1 ASN A 8 -5.200 -18.090 -5.183 1.00 0.00 O ATOM 100 ND2 ASN A 8 -3.513 -17.575 -3.793 1.00 0.00 N ATOM 0 H ASN A 8 -6.216 -13.769 -5.158 1.00 0.00 H new ATOM 0 HA ASN A 8 -6.703 -16.143 -3.699 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -5.111 -15.545 -5.738 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.946 -15.194 -4.476 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -3.256 -18.554 -3.669 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -2.987 -16.845 -3.312 1.00 0.00 H new ATOM 107 N PHE A 9 -5.132 -13.762 -2.139 1.00 0.00 N ATOM 108 CA PHE A 9 -4.599 -13.339 -0.850 1.00 0.00 C ATOM 109 C PHE A 9 -5.697 -13.314 0.210 1.00 0.00 C ATOM 110 O PHE A 9 -5.549 -13.899 1.283 1.00 0.00 O ATOM 111 CB PHE A 9 -3.950 -11.955 -0.976 1.00 0.00 C ATOM 112 CG PHE A 9 -3.877 -11.194 0.318 1.00 0.00 C ATOM 113 CD1 PHE A 9 -2.974 -11.558 1.303 1.00 0.00 C ATOM 114 CD2 PHE A 9 -4.713 -10.112 0.547 1.00 0.00 C ATOM 115 CE1 PHE A 9 -2.905 -10.858 2.493 1.00 0.00 C ATOM 116 CE2 PHE A 9 -4.650 -9.409 1.735 1.00 0.00 C ATOM 117 CZ PHE A 9 -3.745 -9.782 2.709 1.00 0.00 C ATOM 0 H PHE A 9 -5.252 -13.006 -2.814 1.00 0.00 H new ATOM 0 HA PHE A 9 -3.842 -14.058 -0.539 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.942 -12.073 -1.374 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.512 -11.366 -1.701 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -2.316 -12.399 1.139 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.422 -9.815 -0.212 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -2.196 -11.151 3.253 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.308 -8.569 1.902 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.694 -9.234 3.638 1.00 0.00 H new ATOM 127 N ARG A 10 -6.798 -12.634 -0.100 1.00 0.00 N ATOM 128 CA ARG A 10 -7.922 -12.526 0.826 1.00 0.00 C ATOM 129 C ARG A 10 -8.487 -13.902 1.169 1.00 0.00 C ATOM 130 O ARG A 10 -9.038 -14.104 2.252 1.00 0.00 O ATOM 131 CB ARG A 10 -9.021 -11.648 0.226 1.00 0.00 C ATOM 132 CG ARG A 10 -8.662 -10.172 0.176 1.00 0.00 C ATOM 133 CD ARG A 10 -9.758 -9.354 -0.486 1.00 0.00 C ATOM 134 NE ARG A 10 -9.978 -9.754 -1.873 1.00 0.00 N ATOM 135 CZ ARG A 10 -10.621 -9.006 -2.765 1.00 0.00 C ATOM 136 NH1 ARG A 10 -11.109 -7.823 -2.415 1.00 0.00 N ATOM 137 NH2 ARG A 10 -10.777 -9.440 -4.007 1.00 0.00 N ATOM 0 H ARG A 10 -6.936 -12.149 -0.987 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.557 -12.066 1.744 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -9.240 -11.994 -0.784 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.933 -11.772 0.810 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.492 -9.803 1.188 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.728 -10.042 -0.371 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -10.685 -9.469 0.076 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.493 -8.297 -0.451 1.00 0.00 H new ATOM 0 HE ARG A 10 -9.618 -10.659 -2.175 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.991 -7.485 -1.460 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.602 -7.251 -3.101 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.404 -10.349 -4.280 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -11.270 -8.865 -4.690 1.00 0.00 H new ATOM 151 N VAL A 11 -8.348 -14.843 0.242 1.00 0.00 N ATOM 152 CA VAL A 11 -8.848 -16.197 0.451 1.00 0.00 C ATOM 153 C VAL A 11 -7.847 -17.037 1.237 1.00 0.00 C ATOM 154 O VAL A 11 -8.213 -17.724 2.191 1.00 0.00 O ATOM 155 CB VAL A 11 -9.158 -16.898 -0.888 1.00 0.00 C ATOM 156 CG1 VAL A 11 -9.549 -18.351 -0.658 1.00 0.00 C ATOM 157 CG2 VAL A 11 -10.257 -16.157 -1.634 1.00 0.00 C ATOM 0 H VAL A 11 -7.894 -14.694 -0.659 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.771 -16.108 1.024 1.00 0.00 H new ATOM 0 HB VAL A 11 -8.256 -16.883 -1.500 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -9.763 -18.826 -1.615 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.728 -18.875 -0.168 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -10.436 -18.393 -0.025 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -10.463 -16.665 -2.576 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -11.161 -16.139 -1.026 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.935 -15.135 -1.835 1.00 0.00 H new ATOM 167 N LEU A 12 -6.582 -16.976 0.832 1.00 0.00 N ATOM 168 CA LEU A 12 -5.526 -17.733 1.495 1.00 0.00 C ATOM 169 C LEU A 12 -5.456 -17.402 2.983 1.00 0.00 C ATOM 170 O LEU A 12 -4.974 -18.205 3.782 1.00 0.00 O ATOM 171 CB LEU A 12 -4.173 -17.448 0.839 1.00 0.00 C ATOM 172 CG LEU A 12 -3.070 -18.455 1.168 1.00 0.00 C ATOM 173 CD1 LEU A 12 -2.317 -18.852 -0.093 1.00 0.00 C ATOM 174 CD2 LEU A 12 -2.115 -17.878 2.202 1.00 0.00 C ATOM 0 H LEU A 12 -6.263 -16.409 0.046 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.763 -18.792 1.389 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.309 -17.421 -0.242 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.841 -16.456 1.143 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.532 -19.349 1.587 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.536 -19.569 0.160 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.009 -19.305 -0.803 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.866 -17.967 -0.541 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.336 -18.607 2.425 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.659 -16.969 1.809 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.664 -17.644 3.114 1.00 0.00 H new ATOM 186 N VAL A 13 -5.941 -16.220 3.353 1.00 0.00 N ATOM 187 CA VAL A 13 -5.920 -15.799 4.752 1.00 0.00 C ATOM 188 C VAL A 13 -7.233 -16.132 5.456 1.00 0.00 C ATOM 189 O VAL A 13 -7.233 -16.681 6.558 1.00 0.00 O ATOM 190 CB VAL A 13 -5.638 -14.289 4.895 1.00 0.00 C ATOM 191 CG1 VAL A 13 -4.187 -13.982 4.554 1.00 0.00 C ATOM 192 CG2 VAL A 13 -6.581 -13.474 4.023 1.00 0.00 C ATOM 0 H VAL A 13 -6.350 -15.541 2.711 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.109 -16.353 5.225 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.814 -14.008 5.933 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.007 -12.912 4.660 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.531 -14.530 5.230 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.983 -14.284 3.527 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.361 -12.413 4.142 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.447 -13.757 2.979 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.611 -13.667 4.322 1.00 0.00 H new ATOM 202 N LYS A 14 -8.348 -15.798 4.815 1.00 0.00 N ATOM 203 CA LYS A 14 -9.665 -16.060 5.386 1.00 0.00 C ATOM 204 C LYS A 14 -10.141 -17.471 5.048 1.00 0.00 C ATOM 205 O LYS A 14 -11.248 -17.656 4.540 1.00 0.00 O ATOM 206 CB LYS A 14 -10.676 -15.031 4.876 1.00 0.00 C ATOM 207 CG LYS A 14 -11.879 -14.855 5.788 1.00 0.00 C ATOM 208 CD LYS A 14 -13.044 -14.210 5.054 1.00 0.00 C ATOM 209 CE LYS A 14 -14.245 -14.026 5.966 1.00 0.00 C ATOM 210 NZ LYS A 14 -15.284 -15.067 5.733 1.00 0.00 N ATOM 0 H LYS A 14 -8.367 -15.346 3.901 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.585 -15.978 6.470 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.176 -14.070 4.759 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -11.021 -15.333 3.887 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -12.186 -15.825 6.179 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -11.601 -14.240 6.644 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.735 -13.243 4.658 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -13.325 -14.828 4.201 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -13.920 -14.064 7.006 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -14.677 -13.039 5.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -16.087 -14.906 6.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -15.613 -15.015 4.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -14.879 -16.008 5.914 1.00 0.00 H new ATOM 224 N GLN A 15 -9.301 -18.462 5.331 1.00 0.00 N ATOM 225 CA GLN A 15 -9.647 -19.853 5.056 1.00 0.00 C ATOM 226 C GLN A 15 -9.733 -20.661 6.347 1.00 0.00 C ATOM 227 O GLN A 15 -10.708 -21.380 6.571 1.00 0.00 O ATOM 228 CB GLN A 15 -8.616 -20.481 4.118 1.00 0.00 C ATOM 229 CG GLN A 15 -9.106 -20.632 2.687 1.00 0.00 C ATOM 230 CD GLN A 15 -10.349 -21.495 2.583 1.00 0.00 C ATOM 231 OE1 GLN A 15 -10.262 -22.708 2.389 1.00 0.00 O ATOM 232 NE2 GLN A 15 -11.515 -20.873 2.713 1.00 0.00 N ATOM 0 H GLN A 15 -8.380 -18.329 5.749 1.00 0.00 H new ATOM 0 HA GLN A 15 -10.625 -19.867 4.574 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.714 -19.869 4.121 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -8.337 -21.462 4.503 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.317 -19.646 2.274 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -8.313 -21.069 2.080 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -11.541 -19.866 2.873 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -12.385 -21.402 2.653 1.00 0.00 H new ATOM 241 N LYS A 16 -8.714 -20.525 7.196 1.00 0.00 N ATOM 242 CA LYS A 16 -8.662 -21.240 8.472 1.00 0.00 C ATOM 243 C LYS A 16 -7.313 -21.032 9.153 1.00 0.00 C ATOM 244 O LYS A 16 -7.230 -20.955 10.379 1.00 0.00 O ATOM 245 CB LYS A 16 -8.901 -22.739 8.266 1.00 0.00 C ATOM 246 CG LYS A 16 -7.876 -23.400 7.358 1.00 0.00 C ATOM 247 CD LYS A 16 -7.610 -24.838 7.772 1.00 0.00 C ATOM 248 CE LYS A 16 -8.041 -25.818 6.692 1.00 0.00 C ATOM 249 NZ LYS A 16 -8.535 -27.099 7.269 1.00 0.00 N ATOM 0 H LYS A 16 -7.909 -19.923 7.022 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.450 -20.838 9.109 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.890 -23.237 9.236 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.895 -22.885 7.844 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.232 -23.377 6.328 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.945 -22.834 7.386 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.548 -24.967 7.979 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.144 -25.056 8.697 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.826 -25.367 6.085 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.200 -26.019 6.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -8.819 -27.739 6.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.778 -27.543 7.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.353 -26.911 7.883 1.00 0.00 H new ATOM 263 N LYS A 17 -6.260 -20.943 8.347 1.00 0.00 N ATOM 264 CA LYS A 17 -4.913 -20.754 8.856 1.00 0.00 C ATOM 265 C LYS A 17 -3.967 -20.388 7.720 1.00 0.00 C ATOM 266 O LYS A 17 -4.098 -20.894 6.605 1.00 0.00 O ATOM 267 CB LYS A 17 -4.423 -22.022 9.559 1.00 0.00 C ATOM 268 CG LYS A 17 -4.539 -23.274 8.706 1.00 0.00 C ATOM 269 CD LYS A 17 -3.171 -23.804 8.306 1.00 0.00 C ATOM 270 CE LYS A 17 -2.945 -25.215 8.827 1.00 0.00 C ATOM 271 NZ LYS A 17 -2.981 -25.271 10.314 1.00 0.00 N ATOM 0 H LYS A 17 -6.319 -21.000 7.330 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.929 -19.939 9.579 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.382 -21.886 9.851 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.995 -22.163 10.476 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.081 -24.042 9.257 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.121 -23.053 7.811 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.081 -23.797 7.220 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.396 -23.143 8.694 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.708 -25.879 8.420 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.982 -25.582 8.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.502 -26.135 10.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.496 -24.438 10.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.969 -25.280 10.637 1.00 0.00 H new ATOM 285 N ALA A 18 -3.013 -19.517 8.019 1.00 0.00 N ATOM 286 CA ALA A 18 -2.037 -19.061 7.031 1.00 0.00 C ATOM 287 C ALA A 18 -1.143 -17.970 7.610 1.00 0.00 C ATOM 288 O ALA A 18 -0.013 -17.778 7.159 1.00 0.00 O ATOM 289 CB ALA A 18 -2.740 -18.547 5.782 1.00 0.00 C ATOM 0 H ALA A 18 -2.892 -19.107 8.945 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.413 -19.913 6.761 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.997 -18.212 5.058 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -3.337 -19.347 5.345 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.390 -17.713 6.047 1.00 0.00 H new ATOM 295 N SER A 19 -1.666 -17.255 8.605 1.00 0.00 N ATOM 296 CA SER A 19 -0.930 -16.174 9.256 1.00 0.00 C ATOM 297 C SER A 19 -0.783 -14.984 8.315 1.00 0.00 C ATOM 298 O SER A 19 -0.198 -15.099 7.238 1.00 0.00 O ATOM 299 CB SER A 19 0.448 -16.655 9.720 1.00 0.00 C ATOM 300 OG SER A 19 0.937 -15.853 10.782 1.00 0.00 O ATOM 0 H SER A 19 -2.603 -17.407 8.979 1.00 0.00 H new ATOM 0 HA SER A 19 -1.497 -15.859 10.132 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.384 -17.694 10.044 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.148 -16.624 8.885 1.00 0.00 H new ATOM 0 HG SER A 19 1.817 -16.181 11.061 1.00 0.00 H new ATOM 306 N PHE A 20 -1.320 -13.841 8.731 1.00 0.00 N ATOM 307 CA PHE A 20 -1.262 -12.626 7.926 1.00 0.00 C ATOM 308 C PHE A 20 0.177 -12.260 7.577 1.00 0.00 C ATOM 309 O PHE A 20 0.449 -11.768 6.486 1.00 0.00 O ATOM 310 CB PHE A 20 -1.928 -11.466 8.669 1.00 0.00 C ATOM 311 CG PHE A 20 -2.301 -10.315 7.777 1.00 0.00 C ATOM 312 CD1 PHE A 20 -1.394 -9.300 7.518 1.00 0.00 C ATOM 313 CD2 PHE A 20 -3.559 -10.248 7.199 1.00 0.00 C ATOM 314 CE1 PHE A 20 -1.734 -8.241 6.698 1.00 0.00 C ATOM 315 CE2 PHE A 20 -3.904 -9.191 6.378 1.00 0.00 C ATOM 316 CZ PHE A 20 -2.991 -8.186 6.128 1.00 0.00 C ATOM 0 H PHE A 20 -1.801 -13.731 9.623 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.800 -12.816 6.997 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -2.824 -11.833 9.169 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.253 -11.108 9.447 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -0.410 -9.337 7.962 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.278 -11.031 7.392 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.017 -7.457 6.503 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.887 -9.151 5.932 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.259 -7.358 5.488 1.00 0.00 H new ATOM 326 N GLU A 21 1.090 -12.493 8.515 1.00 0.00 N ATOM 327 CA GLU A 21 2.505 -12.185 8.311 1.00 0.00 C ATOM 328 C GLU A 21 3.025 -12.730 6.980 1.00 0.00 C ATOM 329 O GLU A 21 3.490 -11.970 6.131 1.00 0.00 O ATOM 330 CB GLU A 21 3.339 -12.753 9.461 1.00 0.00 C ATOM 331 CG GLU A 21 4.562 -11.915 9.796 1.00 0.00 C ATOM 332 CD GLU A 21 5.330 -12.454 10.987 1.00 0.00 C ATOM 333 OE1 GLU A 21 4.996 -12.076 12.130 1.00 0.00 O ATOM 334 OE2 GLU A 21 6.264 -13.256 10.778 1.00 0.00 O ATOM 0 H GLU A 21 0.876 -12.895 9.427 1.00 0.00 H new ATOM 0 HA GLU A 21 2.600 -11.099 8.287 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.711 -12.836 10.348 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.660 -13.762 9.203 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.222 -11.879 8.929 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.251 -10.891 10.002 1.00 0.00 H new ATOM 341 N GLU A 22 2.954 -14.046 6.808 1.00 0.00 N ATOM 342 CA GLU A 22 3.431 -14.688 5.584 1.00 0.00 C ATOM 343 C GLU A 22 2.762 -14.106 4.340 1.00 0.00 C ATOM 344 O GLU A 22 3.438 -13.730 3.381 1.00 0.00 O ATOM 345 CB GLU A 22 3.180 -16.195 5.650 1.00 0.00 C ATOM 346 CG GLU A 22 4.349 -16.983 6.217 1.00 0.00 C ATOM 347 CD GLU A 22 5.360 -17.370 5.156 1.00 0.00 C ATOM 348 OE1 GLU A 22 5.144 -18.395 4.476 1.00 0.00 O ATOM 349 OE2 GLU A 22 6.368 -16.648 5.004 1.00 0.00 O ATOM 0 H GLU A 22 2.571 -14.690 7.500 1.00 0.00 H new ATOM 0 HA GLU A 22 4.501 -14.497 5.508 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.297 -16.381 6.261 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.957 -16.562 4.648 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.844 -16.389 6.986 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.974 -17.884 6.702 1.00 0.00 H new ATOM 356 N ALA A 23 1.434 -14.038 4.361 1.00 0.00 N ATOM 357 CA ALA A 23 0.677 -13.512 3.229 1.00 0.00 C ATOM 358 C ALA A 23 1.013 -12.047 2.966 1.00 0.00 C ATOM 359 O ALA A 23 1.002 -11.594 1.820 1.00 0.00 O ATOM 360 CB ALA A 23 -0.815 -13.678 3.471 1.00 0.00 C ATOM 0 H ALA A 23 0.860 -14.340 5.148 1.00 0.00 H new ATOM 0 HA ALA A 23 0.959 -14.082 2.344 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.368 -13.282 2.619 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.048 -14.736 3.595 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.100 -13.136 4.373 1.00 0.00 H new ATOM 366 N SER A 24 1.318 -11.313 4.031 1.00 0.00 N ATOM 367 CA SER A 24 1.653 -9.900 3.913 1.00 0.00 C ATOM 368 C SER A 24 3.001 -9.729 3.229 1.00 0.00 C ATOM 369 O SER A 24 3.119 -9.007 2.239 1.00 0.00 O ATOM 370 CB SER A 24 1.672 -9.238 5.295 1.00 0.00 C ATOM 371 OG SER A 24 2.938 -9.381 5.916 1.00 0.00 O ATOM 0 H SER A 24 1.340 -11.674 4.985 1.00 0.00 H new ATOM 0 HA SER A 24 0.890 -9.414 3.305 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.430 -8.180 5.197 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.903 -9.684 5.925 1.00 0.00 H new ATOM 0 HG SER A 24 3.019 -10.283 6.290 1.00 0.00 H new ATOM 377 N ASN A 25 4.018 -10.393 3.769 1.00 0.00 N ATOM 378 CA ASN A 25 5.359 -10.327 3.204 1.00 0.00 C ATOM 379 C ASN A 25 5.337 -10.705 1.729 1.00 0.00 C ATOM 380 O ASN A 25 5.935 -10.025 0.894 1.00 0.00 O ATOM 381 CB ASN A 25 6.305 -11.256 3.968 1.00 0.00 C ATOM 382 CG ASN A 25 7.147 -10.512 4.986 1.00 0.00 C ATOM 383 OD1 ASN A 25 8.209 -9.980 4.661 1.00 0.00 O ATOM 384 ND2 ASN A 25 6.677 -10.473 6.228 1.00 0.00 N ATOM 0 H ASN A 25 3.938 -10.983 4.597 1.00 0.00 H new ATOM 0 HA ASN A 25 5.719 -9.302 3.297 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.723 -12.026 4.475 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.960 -11.765 3.261 1.00 0.00 H new ATOM 0 HD21 ASN A 25 7.201 -9.988 6.957 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.792 -10.928 6.453 1.00 0.00 H new ATOM 391 N GLN A 26 4.645 -11.796 1.413 1.00 0.00 N ATOM 392 CA GLN A 26 4.541 -12.261 0.034 1.00 0.00 C ATOM 393 C GLN A 26 3.918 -11.189 -0.855 1.00 0.00 C ATOM 394 O GLN A 26 4.438 -10.877 -1.927 1.00 0.00 O ATOM 395 CB GLN A 26 3.709 -13.543 -0.033 1.00 0.00 C ATOM 396 CG GLN A 26 4.531 -14.810 0.134 1.00 0.00 C ATOM 397 CD GLN A 26 3.754 -16.060 -0.231 1.00 0.00 C ATOM 398 OE1 GLN A 26 2.716 -16.355 0.360 1.00 0.00 O ATOM 399 NE2 GLN A 26 4.257 -16.804 -1.210 1.00 0.00 N ATOM 0 H GLN A 26 4.149 -12.373 2.092 1.00 0.00 H new ATOM 0 HA GLN A 26 5.547 -12.470 -0.330 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.944 -13.511 0.743 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.190 -13.580 -0.991 1.00 0.00 H new ATOM 0 HG2 GLN A 26 5.423 -14.745 -0.490 1.00 0.00 H new ATOM 0 HG3 GLN A 26 4.870 -14.886 1.167 1.00 0.00 H new ATOM 0 HE21 GLN A 26 5.121 -16.521 -1.673 1.00 0.00 H new ATOM 0 HE22 GLN A 26 3.779 -17.658 -1.499 1.00 0.00 H new ATOM 408 N LEU A 27 2.798 -10.633 -0.403 1.00 0.00 N ATOM 409 CA LEU A 27 2.101 -9.594 -1.152 1.00 0.00 C ATOM 410 C LEU A 27 3.024 -8.411 -1.433 1.00 0.00 C ATOM 411 O LEU A 27 3.119 -7.944 -2.570 1.00 0.00 O ATOM 412 CB LEU A 27 0.863 -9.124 -0.380 1.00 0.00 C ATOM 413 CG LEU A 27 -0.331 -8.695 -1.242 1.00 0.00 C ATOM 414 CD1 LEU A 27 -0.001 -7.439 -2.033 1.00 0.00 C ATOM 415 CD2 LEU A 27 -0.755 -9.820 -2.178 1.00 0.00 C ATOM 0 H LEU A 27 2.354 -10.885 0.480 1.00 0.00 H new ATOM 0 HA LEU A 27 1.786 -10.017 -2.106 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.541 -9.929 0.280 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.149 -8.286 0.255 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.165 -8.472 -0.576 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.862 -7.153 -2.637 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.245 -6.630 -1.345 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.851 -7.633 -2.684 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.603 -9.493 -2.779 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.076 -10.080 -2.834 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.041 -10.693 -1.591 1.00 0.00 H new ATOM 427 N ILE A 28 3.703 -7.927 -0.394 1.00 0.00 N ATOM 428 CA ILE A 28 4.614 -6.799 -0.540 1.00 0.00 C ATOM 429 C ILE A 28 5.740 -7.122 -1.518 1.00 0.00 C ATOM 430 O ILE A 28 6.181 -6.256 -2.276 1.00 0.00 O ATOM 431 CB ILE A 28 5.202 -6.369 0.827 1.00 0.00 C ATOM 432 CG1 ILE A 28 5.156 -4.847 0.966 1.00 0.00 C ATOM 433 CG2 ILE A 28 6.627 -6.878 1.006 1.00 0.00 C ATOM 434 CD1 ILE A 28 3.770 -4.310 1.251 1.00 0.00 C ATOM 0 H ILE A 28 3.638 -8.299 0.554 1.00 0.00 H new ATOM 0 HA ILE A 28 4.036 -5.967 -0.942 1.00 0.00 H new ATOM 0 HB ILE A 28 4.591 -6.815 1.611 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.827 -4.543 1.769 1.00 0.00 H new ATOM 0 HG13 ILE A 28 5.531 -4.394 0.048 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.009 -6.558 1.976 1.00 0.00 H new ATOM 0 HG22 ILE A 28 6.634 -7.967 0.955 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.260 -6.474 0.216 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.811 -3.224 1.337 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.099 -4.584 0.437 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.400 -4.734 2.184 1.00 0.00 H new ATOM 446 N ASN A 29 6.204 -8.370 -1.498 1.00 0.00 N ATOM 447 CA ASN A 29 7.272 -8.798 -2.391 1.00 0.00 C ATOM 448 C ASN A 29 6.803 -8.723 -3.837 1.00 0.00 C ATOM 449 O ASN A 29 7.515 -8.218 -4.707 1.00 0.00 O ATOM 450 CB ASN A 29 7.711 -10.225 -2.056 1.00 0.00 C ATOM 451 CG ASN A 29 9.203 -10.428 -2.237 1.00 0.00 C ATOM 452 OD1 ASN A 29 9.636 -11.209 -3.084 1.00 0.00 O ATOM 453 ND2 ASN A 29 9.997 -9.725 -1.438 1.00 0.00 N ATOM 0 H ASN A 29 5.857 -9.099 -0.874 1.00 0.00 H new ATOM 0 HA ASN A 29 8.125 -8.132 -2.258 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.438 -10.454 -1.026 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.172 -10.927 -2.692 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.010 -9.821 -1.512 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.594 -9.089 -0.750 1.00 0.00 H new ATOM 460 N HIS A 30 5.598 -9.228 -4.083 1.00 0.00 N ATOM 461 CA HIS A 30 5.022 -9.205 -5.419 1.00 0.00 C ATOM 462 C HIS A 30 4.929 -7.769 -5.915 1.00 0.00 C ATOM 463 O HIS A 30 5.266 -7.472 -7.061 1.00 0.00 O ATOM 464 CB HIS A 30 3.636 -9.852 -5.417 1.00 0.00 C ATOM 465 CG HIS A 30 3.496 -10.968 -6.406 1.00 0.00 C ATOM 466 ND1 HIS A 30 3.499 -10.769 -7.771 1.00 0.00 N ATOM 467 CD2 HIS A 30 3.349 -12.301 -6.223 1.00 0.00 C ATOM 468 CE1 HIS A 30 3.359 -11.931 -8.384 1.00 0.00 C ATOM 469 NE2 HIS A 30 3.266 -12.876 -7.467 1.00 0.00 N ATOM 0 H HIS A 30 5.004 -9.657 -3.374 1.00 0.00 H new ATOM 0 HA HIS A 30 5.667 -9.774 -6.089 1.00 0.00 H new ATOM 0 HB2 HIS A 30 3.423 -10.233 -4.418 1.00 0.00 H new ATOM 0 HB3 HIS A 30 2.888 -9.090 -5.633 1.00 0.00 H new ATOM 0 HD1 HIS A 30 3.594 -9.866 -8.235 1.00 0.00 H new ATOM 0 HD2 HIS A 30 3.305 -12.816 -5.275 1.00 0.00 H new ATOM 0 HE1 HIS A 30 3.326 -12.082 -9.453 1.00 0.00 H new ATOM 478 N ILE A 31 4.466 -6.882 -5.037 1.00 0.00 N ATOM 479 CA ILE A 31 4.346 -5.470 -5.374 1.00 0.00 C ATOM 480 C ILE A 31 5.699 -4.916 -5.803 1.00 0.00 C ATOM 481 O ILE A 31 5.817 -4.274 -6.848 1.00 0.00 O ATOM 482 CB ILE A 31 3.813 -4.643 -4.185 1.00 0.00 C ATOM 483 CG1 ILE A 31 2.400 -5.096 -3.812 1.00 0.00 C ATOM 484 CG2 ILE A 31 3.826 -3.158 -4.521 1.00 0.00 C ATOM 485 CD1 ILE A 31 1.916 -4.539 -2.490 1.00 0.00 C ATOM 0 H ILE A 31 4.169 -7.117 -4.090 1.00 0.00 H new ATOM 0 HA ILE A 31 3.634 -5.390 -6.195 1.00 0.00 H new ATOM 0 HB ILE A 31 4.466 -4.807 -3.328 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.710 -4.792 -4.599 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.376 -6.185 -3.769 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.447 -2.589 -3.672 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.846 -2.844 -4.742 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.194 -2.976 -5.390 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.908 -4.901 -2.290 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.584 -4.864 -1.692 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.908 -3.450 -2.535 1.00 0.00 H new ATOM 497 N GLU A 32 6.716 -5.166 -4.983 1.00 0.00 N ATOM 498 CA GLU A 32 8.068 -4.706 -5.278 1.00 0.00 C ATOM 499 C GLU A 32 8.506 -5.176 -6.661 1.00 0.00 C ATOM 500 O GLU A 32 9.072 -4.407 -7.438 1.00 0.00 O ATOM 501 CB GLU A 32 9.047 -5.215 -4.218 1.00 0.00 C ATOM 502 CG GLU A 32 9.354 -4.195 -3.134 1.00 0.00 C ATOM 503 CD GLU A 32 10.759 -3.636 -3.242 1.00 0.00 C ATOM 504 OE1 GLU A 32 11.689 -4.254 -2.683 1.00 0.00 O ATOM 505 OE2 GLU A 32 10.929 -2.579 -3.887 1.00 0.00 O ATOM 0 H GLU A 32 6.629 -5.685 -4.109 1.00 0.00 H new ATOM 0 HA GLU A 32 8.068 -3.616 -5.264 1.00 0.00 H new ATOM 0 HB2 GLU A 32 8.635 -6.112 -3.755 1.00 0.00 H new ATOM 0 HB3 GLU A 32 9.978 -5.507 -4.705 1.00 0.00 H new ATOM 0 HG2 GLU A 32 8.636 -3.377 -3.195 1.00 0.00 H new ATOM 0 HG3 GLU A 32 9.226 -4.659 -2.156 1.00 0.00 H new ATOM 512 N GLN A 33 8.239 -6.444 -6.959 1.00 0.00 N ATOM 513 CA GLN A 33 8.596 -7.015 -8.252 1.00 0.00 C ATOM 514 C GLN A 33 7.913 -6.244 -9.374 1.00 0.00 C ATOM 515 O GLN A 33 8.533 -5.914 -10.384 1.00 0.00 O ATOM 516 CB GLN A 33 8.200 -8.491 -8.313 1.00 0.00 C ATOM 517 CG GLN A 33 9.185 -9.414 -7.614 1.00 0.00 C ATOM 518 CD GLN A 33 8.697 -10.848 -7.553 1.00 0.00 C ATOM 519 OE1 GLN A 33 8.807 -11.595 -8.525 1.00 0.00 O ATOM 520 NE2 GLN A 33 8.153 -11.240 -6.407 1.00 0.00 N ATOM 0 H GLN A 33 7.777 -7.094 -6.323 1.00 0.00 H new ATOM 0 HA GLN A 33 9.676 -6.939 -8.377 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.216 -8.614 -7.861 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.111 -8.792 -9.357 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.141 -9.381 -8.136 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.362 -9.051 -6.602 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.082 -10.587 -5.627 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.806 -12.194 -6.307 1.00 0.00 H new ATOM 529 N PHE A 34 6.623 -5.977 -9.194 1.00 0.00 N ATOM 530 CA PHE A 34 5.852 -5.229 -10.178 1.00 0.00 C ATOM 531 C PHE A 34 6.509 -3.883 -10.469 1.00 0.00 C ATOM 532 O PHE A 34 6.418 -3.366 -11.583 1.00 0.00 O ATOM 533 CB PHE A 34 4.419 -5.012 -9.684 1.00 0.00 C ATOM 534 CG PHE A 34 3.529 -6.210 -9.863 1.00 0.00 C ATOM 535 CD1 PHE A 34 3.389 -6.809 -11.106 1.00 0.00 C ATOM 536 CD2 PHE A 34 2.830 -6.736 -8.788 1.00 0.00 C ATOM 537 CE1 PHE A 34 2.569 -7.910 -11.272 1.00 0.00 C ATOM 538 CE2 PHE A 34 2.009 -7.836 -8.948 1.00 0.00 C ATOM 539 CZ PHE A 34 1.879 -8.423 -10.192 1.00 0.00 C ATOM 0 H PHE A 34 6.090 -6.268 -8.374 1.00 0.00 H new ATOM 0 HA PHE A 34 5.825 -5.811 -11.099 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.445 -4.745 -8.628 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.985 -4.166 -10.216 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.927 -6.411 -11.954 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.928 -6.281 -7.814 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.469 -8.368 -12.245 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.470 -8.236 -8.102 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.238 -9.283 -10.319 1.00 0.00 H new ATOM 549 N LEU A 35 7.172 -3.319 -9.462 1.00 0.00 N ATOM 550 CA LEU A 35 7.844 -2.032 -9.612 1.00 0.00 C ATOM 551 C LEU A 35 9.154 -2.182 -10.381 1.00 0.00 C ATOM 552 O LEU A 35 9.694 -1.206 -10.904 1.00 0.00 O ATOM 553 CB LEU A 35 8.114 -1.413 -8.239 1.00 0.00 C ATOM 554 CG LEU A 35 6.874 -0.896 -7.508 1.00 0.00 C ATOM 555 CD1 LEU A 35 6.973 -1.184 -6.018 1.00 0.00 C ATOM 556 CD2 LEU A 35 6.695 0.595 -7.754 1.00 0.00 C ATOM 0 H LEU A 35 7.258 -3.733 -8.534 1.00 0.00 H new ATOM 0 HA LEU A 35 7.187 -1.373 -10.180 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.603 -2.158 -7.611 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.816 -0.588 -8.361 1.00 0.00 H new ATOM 0 HG LEU A 35 6.001 -1.417 -7.900 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.082 -0.809 -5.515 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.053 -2.259 -5.860 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.855 -0.690 -5.610 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.808 0.947 -7.227 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.571 1.132 -7.389 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.578 0.776 -8.822 1.00 0.00 H new ATOM 568 N ASP A 36 9.660 -3.410 -10.446 1.00 0.00 N ATOM 569 CA ASP A 36 10.907 -3.688 -11.153 1.00 0.00 C ATOM 570 C ASP A 36 10.743 -3.455 -12.652 1.00 0.00 C ATOM 571 O ASP A 36 11.708 -3.534 -13.413 1.00 0.00 O ATOM 572 CB ASP A 36 11.360 -5.126 -10.895 1.00 0.00 C ATOM 573 CG ASP A 36 12.828 -5.336 -11.209 1.00 0.00 C ATOM 574 OD1 ASP A 36 13.673 -4.998 -10.353 1.00 0.00 O ATOM 575 OD2 ASP A 36 13.133 -5.836 -12.312 1.00 0.00 O ATOM 0 H ASP A 36 9.226 -4.228 -10.018 1.00 0.00 H new ATOM 0 HA ASP A 36 11.668 -3.005 -10.776 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.175 -5.380 -9.851 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.761 -5.807 -11.500 1.00 0.00 H new ATOM 580 N THR A 37 9.513 -3.168 -13.067 1.00 0.00 N ATOM 581 CA THR A 37 9.210 -2.917 -14.468 1.00 0.00 C ATOM 582 C THR A 37 8.545 -1.557 -14.636 1.00 0.00 C ATOM 583 O THR A 37 7.408 -1.354 -14.211 1.00 0.00 O ATOM 584 CB THR A 37 8.288 -4.005 -15.048 1.00 0.00 C ATOM 585 OG1 THR A 37 8.247 -5.133 -14.166 1.00 0.00 O ATOM 586 CG2 THR A 37 8.770 -4.448 -16.422 1.00 0.00 C ATOM 0 H THR A 37 8.706 -3.104 -12.446 1.00 0.00 H new ATOM 0 HA THR A 37 10.155 -2.933 -15.011 1.00 0.00 H new ATOM 0 HB THR A 37 7.287 -3.585 -15.149 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.337 -5.496 -14.141 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.103 -5.217 -16.811 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.773 -3.594 -17.099 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.780 -4.851 -16.341 1.00 0.00 H new ATOM 594 N ASN A 38 9.268 -0.629 -15.249 1.00 0.00 N ATOM 595 CA ASN A 38 8.760 0.721 -15.473 1.00 0.00 C ATOM 596 C ASN A 38 7.770 0.756 -16.634 1.00 0.00 C ATOM 597 O ASN A 38 8.003 1.424 -17.642 1.00 0.00 O ATOM 598 CB ASN A 38 9.919 1.682 -15.746 1.00 0.00 C ATOM 599 CG ASN A 38 9.528 3.133 -15.537 1.00 0.00 C ATOM 600 OD1 ASN A 38 8.989 3.779 -16.435 1.00 0.00 O ATOM 601 ND2 ASN A 38 9.801 3.652 -14.346 1.00 0.00 N ATOM 0 H ASN A 38 10.212 -0.786 -15.602 1.00 0.00 H new ATOM 0 HA ASN A 38 8.235 1.035 -14.571 1.00 0.00 H new ATOM 0 HB2 ASN A 38 10.754 1.435 -15.090 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.267 1.546 -16.770 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.563 4.623 -14.146 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.249 3.079 -13.631 1.00 0.00 H new ATOM 608 N GLU A 39 6.664 0.032 -16.488 1.00 0.00 N ATOM 609 CA GLU A 39 5.636 -0.013 -17.520 1.00 0.00 C ATOM 610 C GLU A 39 4.402 0.771 -17.086 1.00 0.00 C ATOM 611 O GLU A 39 4.292 1.184 -15.932 1.00 0.00 O ATOM 612 CB GLU A 39 5.254 -1.461 -17.829 1.00 0.00 C ATOM 613 CG GLU A 39 6.401 -2.291 -18.381 1.00 0.00 C ATOM 614 CD GLU A 39 6.011 -3.075 -19.618 1.00 0.00 C ATOM 615 OE1 GLU A 39 5.568 -2.448 -20.603 1.00 0.00 O ATOM 616 OE2 GLU A 39 6.149 -4.317 -19.602 1.00 0.00 O ATOM 0 H GLU A 39 6.458 -0.532 -15.663 1.00 0.00 H new ATOM 0 HA GLU A 39 6.040 0.446 -18.423 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.882 -1.931 -16.919 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.435 -1.466 -18.548 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.237 -1.634 -18.620 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.748 -2.981 -17.612 1.00 0.00 H new ATOM 623 N THR A 40 3.477 0.972 -18.018 1.00 0.00 N ATOM 624 CA THR A 40 2.251 1.709 -17.733 1.00 0.00 C ATOM 625 C THR A 40 1.202 0.830 -17.045 1.00 0.00 C ATOM 626 O THR A 40 0.642 1.222 -16.021 1.00 0.00 O ATOM 627 CB THR A 40 1.645 2.314 -19.015 1.00 0.00 C ATOM 628 OG1 THR A 40 2.639 3.066 -19.720 1.00 0.00 O ATOM 629 CG2 THR A 40 0.463 3.214 -18.684 1.00 0.00 C ATOM 0 H THR A 40 3.553 0.635 -18.978 1.00 0.00 H new ATOM 0 HA THR A 40 2.530 2.515 -17.055 1.00 0.00 H new ATOM 0 HB THR A 40 1.294 1.496 -19.644 1.00 0.00 H new ATOM 0 HG1 THR A 40 2.246 3.445 -20.534 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.053 3.629 -19.605 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.305 2.633 -18.174 1.00 0.00 H new ATOM 0 HG23 THR A 40 0.794 4.026 -18.036 1.00 0.00 H new ATOM 637 N PRO A 41 0.916 -0.373 -17.589 1.00 0.00 N ATOM 638 CA PRO A 41 -0.078 -1.278 -17.005 1.00 0.00 C ATOM 639 C PRO A 41 0.453 -2.035 -15.792 1.00 0.00 C ATOM 640 O PRO A 41 -0.265 -2.829 -15.183 1.00 0.00 O ATOM 641 CB PRO A 41 -0.375 -2.245 -18.149 1.00 0.00 C ATOM 642 CG PRO A 41 0.897 -2.310 -18.920 1.00 0.00 C ATOM 643 CD PRO A 41 1.530 -0.947 -18.806 1.00 0.00 C ATOM 0 HA PRO A 41 -0.951 -0.740 -16.635 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.663 -3.227 -17.774 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -1.197 -1.887 -18.769 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.556 -3.080 -18.519 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.707 -2.565 -19.963 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.614 -1.016 -18.713 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.324 -0.336 -19.684 1.00 0.00 H new ATOM 651 N TYR A 42 1.712 -1.788 -15.444 1.00 0.00 N ATOM 652 CA TYR A 42 2.332 -2.454 -14.304 1.00 0.00 C ATOM 653 C TYR A 42 2.038 -1.712 -13.003 1.00 0.00 C ATOM 654 O TYR A 42 1.943 -2.323 -11.939 1.00 0.00 O ATOM 655 CB TYR A 42 3.842 -2.569 -14.512 1.00 0.00 C ATOM 656 CG TYR A 42 4.291 -3.956 -14.915 1.00 0.00 C ATOM 657 CD1 TYR A 42 4.160 -4.396 -16.226 1.00 0.00 C ATOM 658 CD2 TYR A 42 4.844 -4.826 -13.983 1.00 0.00 C ATOM 659 CE1 TYR A 42 4.567 -5.663 -16.598 1.00 0.00 C ATOM 660 CE2 TYR A 42 5.254 -6.094 -14.348 1.00 0.00 C ATOM 661 CZ TYR A 42 5.113 -6.508 -15.655 1.00 0.00 C ATOM 662 OH TYR A 42 5.520 -7.770 -16.022 1.00 0.00 O ATOM 0 H TYR A 42 2.322 -1.133 -15.934 1.00 0.00 H new ATOM 0 HA TYR A 42 1.905 -3.454 -14.229 1.00 0.00 H new ATOM 0 HB2 TYR A 42 4.150 -1.859 -15.279 1.00 0.00 H new ATOM 0 HB3 TYR A 42 4.351 -2.284 -13.591 1.00 0.00 H new ATOM 0 HD1 TYR A 42 3.733 -3.737 -16.967 1.00 0.00 H new ATOM 0 HD2 TYR A 42 4.955 -4.506 -12.957 1.00 0.00 H new ATOM 0 HE1 TYR A 42 4.458 -5.990 -17.622 1.00 0.00 H new ATOM 0 HE2 TYR A 42 5.683 -6.758 -13.612 1.00 0.00 H new ATOM 0 HH TYR A 42 5.883 -8.237 -15.241 1.00 0.00 H new ATOM 672 N PHE A 43 1.894 -0.393 -13.094 1.00 0.00 N ATOM 673 CA PHE A 43 1.609 0.423 -11.919 1.00 0.00 C ATOM 674 C PHE A 43 0.148 0.278 -11.505 1.00 0.00 C ATOM 675 O PHE A 43 -0.208 0.510 -10.348 1.00 0.00 O ATOM 676 CB PHE A 43 1.938 1.892 -12.192 1.00 0.00 C ATOM 677 CG PHE A 43 3.403 2.209 -12.081 1.00 0.00 C ATOM 678 CD1 PHE A 43 4.071 2.049 -10.878 1.00 0.00 C ATOM 679 CD2 PHE A 43 4.111 2.667 -13.181 1.00 0.00 C ATOM 680 CE1 PHE A 43 5.418 2.339 -10.773 1.00 0.00 C ATOM 681 CE2 PHE A 43 5.459 2.959 -13.082 1.00 0.00 C ATOM 682 CZ PHE A 43 6.113 2.795 -11.876 1.00 0.00 C ATOM 0 H PHE A 43 1.970 0.131 -13.966 1.00 0.00 H new ATOM 0 HA PHE A 43 2.238 0.072 -11.101 1.00 0.00 H new ATOM 0 HB2 PHE A 43 1.593 2.154 -13.192 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.385 2.516 -11.490 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.533 1.693 -10.012 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.604 2.797 -14.126 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.927 2.209 -9.829 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.000 3.315 -13.946 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.166 3.023 -11.796 1.00 0.00 H new ATOM 692 N MET A 44 -0.695 -0.107 -12.459 1.00 0.00 N ATOM 693 CA MET A 44 -2.117 -0.291 -12.194 1.00 0.00 C ATOM 694 C MET A 44 -2.333 -1.465 -11.246 1.00 0.00 C ATOM 695 O MET A 44 -3.253 -1.458 -10.427 1.00 0.00 O ATOM 696 CB MET A 44 -2.877 -0.527 -13.500 1.00 0.00 C ATOM 697 CG MET A 44 -2.820 0.652 -14.458 1.00 0.00 C ATOM 698 SD MET A 44 -3.669 0.324 -16.015 1.00 0.00 S ATOM 699 CE MET A 44 -3.641 1.950 -16.765 1.00 0.00 C ATOM 0 H MET A 44 -0.417 -0.297 -13.422 1.00 0.00 H new ATOM 0 HA MET A 44 -2.499 0.615 -11.724 1.00 0.00 H new ATOM 0 HB2 MET A 44 -2.467 -1.407 -13.995 1.00 0.00 H new ATOM 0 HB3 MET A 44 -3.919 -0.747 -13.270 1.00 0.00 H new ATOM 0 HG2 MET A 44 -3.267 1.524 -13.981 1.00 0.00 H new ATOM 0 HG3 MET A 44 -1.778 0.899 -14.662 1.00 0.00 H new ATOM 0 HE1 MET A 44 -4.131 1.910 -17.738 1.00 0.00 H new ATOM 0 HE2 MET A 44 -4.167 2.656 -16.122 1.00 0.00 H new ATOM 0 HE3 MET A 44 -2.608 2.274 -16.892 1.00 0.00 H new ATOM 709 N LYS A 45 -1.473 -2.473 -11.365 1.00 0.00 N ATOM 710 CA LYS A 45 -1.556 -3.656 -10.519 1.00 0.00 C ATOM 711 C LYS A 45 -1.029 -3.353 -9.122 1.00 0.00 C ATOM 712 O LYS A 45 -1.464 -3.952 -8.137 1.00 0.00 O ATOM 713 CB LYS A 45 -0.764 -4.809 -11.138 1.00 0.00 C ATOM 714 CG LYS A 45 -1.287 -6.183 -10.752 1.00 0.00 C ATOM 715 CD LYS A 45 -1.417 -7.090 -11.965 1.00 0.00 C ATOM 716 CE LYS A 45 -2.223 -8.338 -11.644 1.00 0.00 C ATOM 717 NZ LYS A 45 -1.926 -9.450 -12.590 1.00 0.00 N ATOM 0 H LYS A 45 -0.710 -2.492 -12.041 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.603 -3.949 -10.441 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.787 -4.713 -12.224 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.279 -4.727 -10.832 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.614 -6.639 -10.026 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.258 -6.081 -10.267 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.897 -6.545 -12.778 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.425 -7.376 -12.315 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.004 -8.659 -10.626 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.287 -8.103 -11.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.496 -10.282 -12.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.159 -9.153 -13.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.916 -9.692 -12.535 1.00 0.00 H new ATOM 731 N SER A 46 -0.092 -2.412 -9.042 1.00 0.00 N ATOM 732 CA SER A 46 0.491 -2.024 -7.765 1.00 0.00 C ATOM 733 C SER A 46 -0.559 -1.354 -6.890 1.00 0.00 C ATOM 734 O SER A 46 -0.741 -1.724 -5.730 1.00 0.00 O ATOM 735 CB SER A 46 1.674 -1.080 -7.983 1.00 0.00 C ATOM 736 OG SER A 46 2.300 -1.325 -9.231 1.00 0.00 O ATOM 0 H SER A 46 0.278 -1.906 -9.846 1.00 0.00 H new ATOM 0 HA SER A 46 0.850 -2.921 -7.261 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.331 -0.046 -7.942 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.398 -1.208 -7.178 1.00 0.00 H new ATOM 0 HG SER A 46 3.071 -0.729 -9.333 1.00 0.00 H new ATOM 742 N ILE A 47 -1.242 -0.359 -7.451 1.00 0.00 N ATOM 743 CA ILE A 47 -2.289 0.349 -6.727 1.00 0.00 C ATOM 744 C ILE A 47 -3.392 -0.616 -6.312 1.00 0.00 C ATOM 745 O ILE A 47 -3.913 -0.542 -5.197 1.00 0.00 O ATOM 746 CB ILE A 47 -2.901 1.480 -7.577 1.00 0.00 C ATOM 747 CG1 ILE A 47 -1.799 2.341 -8.194 1.00 0.00 C ATOM 748 CG2 ILE A 47 -3.835 2.333 -6.730 1.00 0.00 C ATOM 749 CD1 ILE A 47 -2.131 2.841 -9.583 1.00 0.00 C ATOM 0 H ILE A 47 -1.088 -0.027 -8.403 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.830 0.789 -5.842 1.00 0.00 H new ATOM 0 HB ILE A 47 -3.480 1.033 -8.385 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.610 3.196 -7.544 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.877 1.762 -8.236 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.259 3.127 -7.344 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.638 1.711 -6.335 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.277 2.772 -5.903 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.305 3.445 -9.959 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.291 1.991 -10.247 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.036 3.447 -9.545 1.00 0.00 H new ATOM 761 N ASP A 48 -3.742 -1.525 -7.220 1.00 0.00 N ATOM 762 CA ASP A 48 -4.773 -2.517 -6.944 1.00 0.00 C ATOM 763 C ASP A 48 -4.343 -3.404 -5.784 1.00 0.00 C ATOM 764 O ASP A 48 -5.172 -4.011 -5.103 1.00 0.00 O ATOM 765 CB ASP A 48 -5.044 -3.369 -8.186 1.00 0.00 C ATOM 766 CG ASP A 48 -6.239 -2.874 -8.977 1.00 0.00 C ATOM 767 OD1 ASP A 48 -6.054 -1.990 -9.841 1.00 0.00 O ATOM 768 OD2 ASP A 48 -7.359 -3.369 -8.732 1.00 0.00 O ATOM 0 H ASP A 48 -3.327 -1.593 -8.149 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.693 -1.998 -6.674 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.161 -3.365 -8.826 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -5.214 -4.402 -7.884 1.00 0.00 H new ATOM 773 N CYS A 49 -3.032 -3.465 -5.568 1.00 0.00 N ATOM 774 CA CYS A 49 -2.468 -4.262 -4.488 1.00 0.00 C ATOM 775 C CYS A 49 -2.454 -3.459 -3.194 1.00 0.00 C ATOM 776 O CYS A 49 -2.856 -3.956 -2.141 1.00 0.00 O ATOM 777 CB CYS A 49 -1.050 -4.717 -4.839 1.00 0.00 C ATOM 778 SG CYS A 49 -0.979 -6.295 -5.718 1.00 0.00 S ATOM 0 H CYS A 49 -2.340 -2.969 -6.130 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.091 -5.145 -4.350 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.575 -3.950 -5.451 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -0.468 -4.798 -3.921 1.00 0.00 H new ATOM 0 HG CYS A 49 0.260 -6.594 -5.973 1.00 0.00 H new ATOM 784 N ILE A 50 -1.993 -2.211 -3.278 1.00 0.00 N ATOM 785 CA ILE A 50 -1.939 -1.336 -2.113 1.00 0.00 C ATOM 786 C ILE A 50 -3.345 -1.063 -1.593 1.00 0.00 C ATOM 787 O ILE A 50 -3.531 -0.692 -0.436 1.00 0.00 O ATOM 788 CB ILE A 50 -1.232 0.003 -2.445 1.00 0.00 C ATOM 789 CG1 ILE A 50 -0.224 0.361 -1.349 1.00 0.00 C ATOM 790 CG2 ILE A 50 -2.242 1.129 -2.631 1.00 0.00 C ATOM 791 CD1 ILE A 50 0.958 1.158 -1.856 1.00 0.00 C ATOM 0 H ILE A 50 -1.653 -1.786 -4.141 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.361 -1.844 -1.342 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.696 -0.124 -3.385 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.731 0.932 -0.572 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.138 -0.556 -0.885 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.716 2.055 -2.863 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.917 0.881 -3.450 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.816 1.258 -1.714 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.632 1.377 -1.027 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.489 0.580 -2.612 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.606 2.092 -2.294 1.00 0.00 H new ATOM 803 N ARG A 51 -4.329 -1.254 -2.464 1.00 0.00 N ATOM 804 CA ARG A 51 -5.723 -1.040 -2.103 1.00 0.00 C ATOM 805 C ARG A 51 -6.238 -2.219 -1.290 1.00 0.00 C ATOM 806 O ARG A 51 -6.761 -2.049 -0.188 1.00 0.00 O ATOM 807 CB ARG A 51 -6.578 -0.854 -3.358 1.00 0.00 C ATOM 808 CG ARG A 51 -6.562 0.566 -3.899 1.00 0.00 C ATOM 809 CD ARG A 51 -7.966 1.144 -3.990 1.00 0.00 C ATOM 810 NE ARG A 51 -8.011 2.341 -4.825 1.00 0.00 N ATOM 811 CZ ARG A 51 -9.140 2.909 -5.240 1.00 0.00 C ATOM 812 NH1 ARG A 51 -10.312 2.391 -4.899 1.00 0.00 N ATOM 813 NH2 ARG A 51 -9.097 3.997 -5.996 1.00 0.00 N ATOM 0 H ARG A 51 -4.185 -1.557 -3.427 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.791 -0.135 -1.499 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -6.224 -1.533 -4.133 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.606 -1.137 -3.132 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.949 1.195 -3.253 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.099 0.575 -4.886 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -8.642 0.392 -4.397 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.324 1.386 -2.989 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.127 2.765 -5.106 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -10.350 1.554 -4.317 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -11.176 2.829 -5.219 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.198 4.399 -6.260 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.963 4.432 -6.314 1.00 0.00 H new ATOM 827 N ALA A 52 -6.087 -3.418 -1.845 1.00 0.00 N ATOM 828 CA ALA A 52 -6.527 -4.632 -1.168 1.00 0.00 C ATOM 829 C ALA A 52 -5.752 -4.841 0.129 1.00 0.00 C ATOM 830 O ALA A 52 -6.281 -5.377 1.103 1.00 0.00 O ATOM 831 CB ALA A 52 -6.365 -5.836 -2.083 1.00 0.00 C ATOM 0 H ALA A 52 -5.664 -3.574 -2.760 1.00 0.00 H new ATOM 0 HA ALA A 52 -7.583 -4.521 -0.920 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.698 -6.735 -1.564 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.965 -5.693 -2.982 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.316 -5.944 -2.360 1.00 0.00 H new ATOM 837 N PHE A 53 -4.495 -4.412 0.129 1.00 0.00 N ATOM 838 CA PHE A 53 -3.633 -4.545 1.298 1.00 0.00 C ATOM 839 C PHE A 53 -4.024 -3.542 2.382 1.00 0.00 C ATOM 840 O PHE A 53 -4.322 -3.923 3.515 1.00 0.00 O ATOM 841 CB PHE A 53 -2.171 -4.338 0.895 1.00 0.00 C ATOM 842 CG PHE A 53 -1.183 -5.109 1.730 1.00 0.00 C ATOM 843 CD1 PHE A 53 -1.389 -5.298 3.089 1.00 0.00 C ATOM 844 CD2 PHE A 53 -0.042 -5.640 1.151 1.00 0.00 C ATOM 845 CE1 PHE A 53 -0.477 -6.003 3.851 1.00 0.00 C ATOM 846 CE2 PHE A 53 0.873 -6.345 1.908 1.00 0.00 C ATOM 847 CZ PHE A 53 0.656 -6.526 3.259 1.00 0.00 C ATOM 0 H PHE A 53 -4.048 -3.967 -0.672 1.00 0.00 H new ATOM 0 HA PHE A 53 -3.756 -5.550 1.702 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.050 -4.627 -0.149 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.935 -3.276 0.962 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.273 -4.889 3.557 1.00 0.00 H new ATOM 0 HD2 PHE A 53 0.134 -5.501 0.095 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -0.650 -6.145 4.908 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.758 -6.754 1.443 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.371 -7.076 3.853 1.00 0.00 H new ATOM 857 N ARG A 54 -4.014 -2.258 2.029 1.00 0.00 N ATOM 858 CA ARG A 54 -4.369 -1.200 2.972 1.00 0.00 C ATOM 859 C ARG A 54 -5.743 -1.450 3.581 1.00 0.00 C ATOM 860 O ARG A 54 -5.983 -1.136 4.745 1.00 0.00 O ATOM 861 CB ARG A 54 -4.362 0.163 2.277 1.00 0.00 C ATOM 862 CG ARG A 54 -2.993 0.822 2.232 1.00 0.00 C ATOM 863 CD ARG A 54 -3.050 2.181 1.553 1.00 0.00 C ATOM 864 NE ARG A 54 -4.008 3.076 2.197 1.00 0.00 N ATOM 865 CZ ARG A 54 -5.201 3.369 1.688 1.00 0.00 C ATOM 866 NH1 ARG A 54 -5.582 2.840 0.533 1.00 0.00 N ATOM 867 NH2 ARG A 54 -6.015 4.193 2.335 1.00 0.00 N ATOM 0 H ARG A 54 -3.764 -1.926 1.098 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.625 -1.203 3.768 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -4.731 0.043 1.258 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.057 0.826 2.791 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.610 0.937 3.246 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.295 0.177 1.699 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.060 2.637 1.571 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.323 2.052 0.506 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.747 3.500 3.087 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.959 2.206 0.032 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -6.498 3.067 0.146 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -5.726 4.602 3.223 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.930 4.417 1.944 1.00 0.00 H new ATOM 881 N GLU A 55 -6.641 -2.018 2.787 1.00 0.00 N ATOM 882 CA GLU A 55 -7.996 -2.299 3.245 1.00 0.00 C ATOM 883 C GLU A 55 -8.012 -3.401 4.300 1.00 0.00 C ATOM 884 O GLU A 55 -8.489 -3.194 5.415 1.00 0.00 O ATOM 885 CB GLU A 55 -8.882 -2.697 2.064 1.00 0.00 C ATOM 886 CG GLU A 55 -9.534 -1.514 1.367 1.00 0.00 C ATOM 887 CD GLU A 55 -10.621 -1.935 0.398 1.00 0.00 C ATOM 888 OE1 GLU A 55 -10.299 -2.181 -0.784 1.00 0.00 O ATOM 889 OE2 GLU A 55 -11.793 -2.019 0.820 1.00 0.00 O ATOM 0 H GLU A 55 -6.456 -2.293 1.822 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.387 -1.389 3.700 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.282 -3.249 1.340 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.660 -3.374 2.416 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.959 -0.845 2.115 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.772 -0.949 0.830 1.00 0.00 H new ATOM 896 N GLU A 56 -7.474 -4.565 3.951 1.00 0.00 N ATOM 897 CA GLU A 56 -7.452 -5.703 4.865 1.00 0.00 C ATOM 898 C GLU A 56 -6.589 -5.424 6.093 1.00 0.00 C ATOM 899 O GLU A 56 -6.781 -6.035 7.146 1.00 0.00 O ATOM 900 CB GLU A 56 -6.936 -6.948 4.143 1.00 0.00 C ATOM 901 CG GLU A 56 -7.964 -7.588 3.225 1.00 0.00 C ATOM 902 CD GLU A 56 -8.252 -9.031 3.590 1.00 0.00 C ATOM 903 OE1 GLU A 56 -7.372 -9.887 3.365 1.00 0.00 O ATOM 904 OE2 GLU A 56 -9.358 -9.304 4.103 1.00 0.00 O ATOM 0 H GLU A 56 -7.047 -4.746 3.042 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.474 -5.873 5.203 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.056 -6.680 3.558 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.616 -7.681 4.884 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.890 -7.015 3.267 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.606 -7.542 2.196 1.00 0.00 H new ATOM 911 N ALA A 57 -5.644 -4.500 5.959 1.00 0.00 N ATOM 912 CA ALA A 57 -4.750 -4.161 7.060 1.00 0.00 C ATOM 913 C ALA A 57 -5.352 -3.092 7.966 1.00 0.00 C ATOM 914 O ALA A 57 -5.575 -3.325 9.156 1.00 0.00 O ATOM 915 CB ALA A 57 -3.406 -3.696 6.519 1.00 0.00 C ATOM 0 H ALA A 57 -5.477 -3.974 5.101 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.605 -5.060 7.660 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.746 -3.445 7.350 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.957 -4.493 5.927 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.551 -2.816 5.893 1.00 0.00 H new ATOM 921 N ILE A 58 -5.612 -1.920 7.395 1.00 0.00 N ATOM 922 CA ILE A 58 -6.174 -0.805 8.152 1.00 0.00 C ATOM 923 C ILE A 58 -7.488 -1.187 8.825 1.00 0.00 C ATOM 924 O ILE A 58 -7.736 -0.810 9.971 1.00 0.00 O ATOM 925 CB ILE A 58 -6.404 0.428 7.255 1.00 0.00 C ATOM 926 CG1 ILE A 58 -5.077 0.910 6.666 1.00 0.00 C ATOM 927 CG2 ILE A 58 -7.073 1.545 8.044 1.00 0.00 C ATOM 928 CD1 ILE A 58 -5.240 1.777 5.436 1.00 0.00 C ATOM 0 H ILE A 58 -5.443 -1.717 6.410 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.443 -0.555 8.921 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.065 0.143 6.436 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.534 1.471 7.426 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.466 0.044 6.412 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.227 2.407 7.395 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.035 1.198 8.422 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.436 1.831 8.881 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.258 2.082 5.073 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.755 1.213 4.659 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.824 2.662 5.689 1.00 0.00 H new ATOM 940 N LYS A 59 -8.327 -1.932 8.112 1.00 0.00 N ATOM 941 CA LYS A 59 -9.614 -2.354 8.654 1.00 0.00 C ATOM 942 C LYS A 59 -9.434 -3.057 9.997 1.00 0.00 C ATOM 943 O LYS A 59 -10.142 -2.757 10.959 1.00 0.00 O ATOM 944 CB LYS A 59 -10.340 -3.273 7.670 1.00 0.00 C ATOM 945 CG LYS A 59 -11.135 -2.524 6.613 1.00 0.00 C ATOM 946 CD LYS A 59 -12.579 -2.997 6.563 1.00 0.00 C ATOM 947 CE LYS A 59 -13.408 -2.154 5.608 1.00 0.00 C ATOM 948 NZ LYS A 59 -13.898 -2.948 4.448 1.00 0.00 N ATOM 0 H LYS A 59 -8.140 -2.255 7.163 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.221 -1.462 8.810 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.609 -3.914 7.177 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.014 -3.926 8.225 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.108 -1.455 6.825 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.670 -2.667 5.637 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.611 -4.041 6.250 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -13.013 -2.950 7.562 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -14.258 -1.730 6.143 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.809 -1.318 5.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.459 -2.337 3.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.087 -3.332 3.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.491 -3.731 4.789 1.00 0.00 H new ATOM 962 N PHE A 60 -8.481 -3.988 10.061 1.00 0.00 N ATOM 963 CA PHE A 60 -8.216 -4.719 11.299 1.00 0.00 C ATOM 964 C PHE A 60 -6.999 -5.630 11.154 1.00 0.00 C ATOM 965 O PHE A 60 -7.116 -6.790 10.764 1.00 0.00 O ATOM 966 CB PHE A 60 -9.446 -5.531 11.740 1.00 0.00 C ATOM 967 CG PHE A 60 -9.962 -6.503 10.710 1.00 0.00 C ATOM 968 CD1 PHE A 60 -10.686 -6.059 9.617 1.00 0.00 C ATOM 969 CD2 PHE A 60 -9.728 -7.864 10.844 1.00 0.00 C ATOM 970 CE1 PHE A 60 -11.164 -6.950 8.674 1.00 0.00 C ATOM 971 CE2 PHE A 60 -10.204 -8.760 9.906 1.00 0.00 C ATOM 972 CZ PHE A 60 -10.923 -8.302 8.819 1.00 0.00 C ATOM 0 H PHE A 60 -7.885 -4.252 9.277 1.00 0.00 H new ATOM 0 HA PHE A 60 -7.999 -3.982 12.072 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -9.195 -6.082 12.646 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.247 -4.839 12.000 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -10.880 -5.003 9.499 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -9.167 -8.228 11.692 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -11.725 -6.589 7.825 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -10.014 -9.817 10.022 1.00 0.00 H new ATOM 0 HZ PHE A 60 -11.296 -9.000 8.084 1.00 0.00 H new ATOM 982 N SER A 61 -5.824 -5.092 11.469 1.00 0.00 N ATOM 983 CA SER A 61 -4.588 -5.860 11.380 1.00 0.00 C ATOM 984 C SER A 61 -3.394 -5.047 11.865 1.00 0.00 C ATOM 985 O SER A 61 -3.153 -4.942 13.068 1.00 0.00 O ATOM 986 CB SER A 61 -4.354 -6.339 9.945 1.00 0.00 C ATOM 987 OG SER A 61 -4.693 -7.707 9.802 1.00 0.00 O ATOM 0 H SER A 61 -5.703 -4.130 11.787 1.00 0.00 H new ATOM 0 HA SER A 61 -4.691 -6.729 12.029 1.00 0.00 H new ATOM 0 HB2 SER A 61 -4.950 -5.740 9.257 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.309 -6.190 9.675 1.00 0.00 H new ATOM 0 HG SER A 61 -5.622 -7.845 10.082 1.00 0.00 H new ATOM 993 N GLU A 62 -2.650 -4.475 10.927 1.00 0.00 N ATOM 994 CA GLU A 62 -1.476 -3.684 11.267 1.00 0.00 C ATOM 995 C GLU A 62 -1.478 -2.363 10.509 1.00 0.00 C ATOM 996 O GLU A 62 -0.619 -2.116 9.662 1.00 0.00 O ATOM 997 CB GLU A 62 -0.201 -4.470 10.957 1.00 0.00 C ATOM 998 CG GLU A 62 -0.146 -5.831 11.630 1.00 0.00 C ATOM 999 CD GLU A 62 1.156 -6.560 11.362 1.00 0.00 C ATOM 1000 OE1 GLU A 62 2.212 -6.080 11.825 1.00 0.00 O ATOM 1001 OE2 GLU A 62 1.120 -7.612 10.688 1.00 0.00 O ATOM 0 H GLU A 62 -2.839 -4.544 9.927 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.506 -3.467 12.335 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.120 -4.604 9.878 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.663 -3.884 11.271 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.274 -5.706 12.705 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.979 -6.440 11.278 1.00 0.00 H new ATOM 1008 N GLU A 63 -2.461 -1.526 10.813 1.00 0.00 N ATOM 1009 CA GLU A 63 -2.589 -0.220 10.171 1.00 0.00 C ATOM 1010 C GLU A 63 -1.282 0.573 10.244 1.00 0.00 C ATOM 1011 O GLU A 63 -0.964 1.344 9.338 1.00 0.00 O ATOM 1012 CB GLU A 63 -3.719 0.581 10.821 1.00 0.00 C ATOM 1013 CG GLU A 63 -3.610 0.669 12.334 1.00 0.00 C ATOM 1014 CD GLU A 63 -4.395 -0.419 13.040 1.00 0.00 C ATOM 1015 OE1 GLU A 63 -5.614 -0.529 12.788 1.00 0.00 O ATOM 1016 OE2 GLU A 63 -3.792 -1.161 13.843 1.00 0.00 O ATOM 0 H GLU A 63 -3.185 -1.727 11.503 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.823 -0.390 9.120 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.724 1.589 10.406 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.674 0.124 10.560 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.561 0.601 12.623 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.969 1.644 12.664 1.00 0.00 H new ATOM 1023 N GLN A 64 -0.530 0.383 11.326 1.00 0.00 N ATOM 1024 CA GLN A 64 0.738 1.087 11.511 1.00 0.00 C ATOM 1025 C GLN A 64 1.850 0.450 10.681 1.00 0.00 C ATOM 1026 O GLN A 64 2.843 1.100 10.352 1.00 0.00 O ATOM 1027 CB GLN A 64 1.130 1.096 12.990 1.00 0.00 C ATOM 1028 CG GLN A 64 0.180 1.897 13.865 1.00 0.00 C ATOM 1029 CD GLN A 64 0.410 1.658 15.345 1.00 0.00 C ATOM 1030 OE1 GLN A 64 -0.224 0.794 15.951 1.00 0.00 O ATOM 1031 NE2 GLN A 64 1.320 2.424 15.934 1.00 0.00 N ATOM 0 H GLN A 64 -0.775 -0.251 12.087 1.00 0.00 H new ATOM 0 HA GLN A 64 0.603 2.114 11.170 1.00 0.00 H new ATOM 0 HB2 GLN A 64 1.168 0.069 13.354 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.135 1.506 13.089 1.00 0.00 H new ATOM 0 HG2 GLN A 64 0.300 2.959 13.649 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -0.848 1.635 13.614 1.00 0.00 H new ATOM 0 HE21 GLN A 64 1.822 3.128 15.393 1.00 0.00 H new ATOM 0 HE22 GLN A 64 1.518 2.309 16.928 1.00 0.00 H new ATOM 1040 N ARG A 65 1.689 -0.825 10.347 1.00 0.00 N ATOM 1041 CA ARG A 65 2.683 -1.521 9.541 1.00 0.00 C ATOM 1042 C ARG A 65 2.730 -0.904 8.151 1.00 0.00 C ATOM 1043 O ARG A 65 3.744 -0.976 7.452 1.00 0.00 O ATOM 1044 CB ARG A 65 2.355 -3.012 9.447 1.00 0.00 C ATOM 1045 CG ARG A 65 3.290 -3.785 8.531 1.00 0.00 C ATOM 1046 CD ARG A 65 2.847 -5.231 8.375 1.00 0.00 C ATOM 1047 NE ARG A 65 3.966 -6.162 8.495 1.00 0.00 N ATOM 1048 CZ ARG A 65 4.528 -6.778 7.459 1.00 0.00 C ATOM 1049 NH1 ARG A 65 4.080 -6.559 6.230 1.00 0.00 N ATOM 1050 NH2 ARG A 65 5.539 -7.613 7.652 1.00 0.00 N ATOM 0 H ARG A 65 0.887 -1.393 10.619 1.00 0.00 H new ATOM 0 HA ARG A 65 3.659 -1.418 10.016 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.396 -3.448 10.445 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.332 -3.128 9.090 1.00 0.00 H new ATOM 0 HG2 ARG A 65 3.321 -3.305 7.553 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.303 -3.755 8.933 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.098 -5.464 9.132 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.370 -5.361 7.404 1.00 0.00 H new ATOM 0 HE ARG A 65 4.337 -6.350 9.426 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.302 -5.917 6.078 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.513 -7.033 5.437 1.00 0.00 H new ATOM 0 HH21 ARG A 65 5.887 -7.784 8.596 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.969 -8.085 6.857 1.00 0.00 H new ATOM 1064 N PHE A 66 1.617 -0.287 7.766 1.00 0.00 N ATOM 1065 CA PHE A 66 1.506 0.359 6.468 1.00 0.00 C ATOM 1066 C PHE A 66 1.958 1.809 6.562 1.00 0.00 C ATOM 1067 O PHE A 66 2.686 2.298 5.701 1.00 0.00 O ATOM 1068 CB PHE A 66 0.072 0.286 5.946 1.00 0.00 C ATOM 1069 CG PHE A 66 -0.015 -0.205 4.529 1.00 0.00 C ATOM 1070 CD1 PHE A 66 0.606 0.489 3.503 1.00 0.00 C ATOM 1071 CD2 PHE A 66 -0.712 -1.362 4.225 1.00 0.00 C ATOM 1072 CE1 PHE A 66 0.535 0.036 2.199 1.00 0.00 C ATOM 1073 CE2 PHE A 66 -0.788 -1.818 2.924 1.00 0.00 C ATOM 1074 CZ PHE A 66 -0.164 -1.119 1.910 1.00 0.00 C ATOM 0 H PHE A 66 0.776 -0.222 8.340 1.00 0.00 H new ATOM 0 HA PHE A 66 2.153 -0.168 5.767 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.509 -0.374 6.589 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.382 1.275 6.010 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.152 1.394 3.725 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.201 -1.914 5.014 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.025 0.584 1.408 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.336 -2.721 2.700 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.223 -1.475 0.892 1.00 0.00 H new ATOM 1084 N ASN A 67 1.524 2.487 7.626 1.00 0.00 N ATOM 1085 CA ASN A 67 1.882 3.885 7.845 1.00 0.00 C ATOM 1086 C ASN A 67 3.378 3.987 8.117 1.00 0.00 C ATOM 1087 O ASN A 67 3.984 5.055 8.006 1.00 0.00 O ATOM 1088 CB ASN A 67 1.053 4.479 8.996 1.00 0.00 C ATOM 1089 CG ASN A 67 1.706 4.360 10.362 1.00 0.00 C ATOM 1090 OD1 ASN A 67 2.531 3.484 10.606 1.00 0.00 O ATOM 1091 ND2 ASN A 67 1.325 5.256 11.268 1.00 0.00 N ATOM 0 H ASN A 67 0.924 2.088 8.348 1.00 0.00 H new ATOM 0 HA ASN A 67 1.655 4.466 6.951 1.00 0.00 H new ATOM 0 HB2 ASN A 67 0.864 5.532 8.787 1.00 0.00 H new ATOM 0 HB3 ASN A 67 0.084 3.981 9.025 1.00 0.00 H new ATOM 0 HD21 ASN A 67 1.722 5.232 12.207 1.00 0.00 H new ATOM 0 HD22 ASN A 67 0.636 5.968 11.023 1.00 0.00 H new ATOM 1098 N ASN A 68 3.955 2.844 8.472 1.00 0.00 N ATOM 1099 CA ASN A 68 5.383 2.756 8.743 1.00 0.00 C ATOM 1100 C ASN A 68 6.142 2.735 7.424 1.00 0.00 C ATOM 1101 O ASN A 68 7.001 3.583 7.170 1.00 0.00 O ATOM 1102 CB ASN A 68 5.703 1.501 9.557 1.00 0.00 C ATOM 1103 CG ASN A 68 7.167 1.421 9.943 1.00 0.00 C ATOM 1104 OD1 ASN A 68 8.019 1.078 9.124 1.00 0.00 O ATOM 1105 ND2 ASN A 68 7.465 1.738 11.197 1.00 0.00 N ATOM 0 H ASN A 68 3.452 1.963 8.579 1.00 0.00 H new ATOM 0 HA ASN A 68 5.689 3.624 9.327 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.091 1.490 10.459 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.434 0.617 8.978 1.00 0.00 H new ATOM 0 HD21 ASN A 68 8.433 1.703 11.516 1.00 0.00 H new ATOM 0 HD22 ASN A 68 6.726 2.017 11.842 1.00 0.00 H new ATOM 1112 N PHE A 69 5.818 1.752 6.589 1.00 0.00 N ATOM 1113 CA PHE A 69 6.443 1.625 5.277 1.00 0.00 C ATOM 1114 C PHE A 69 6.084 2.817 4.394 1.00 0.00 C ATOM 1115 O PHE A 69 6.837 3.183 3.494 1.00 0.00 O ATOM 1116 CB PHE A 69 6.007 0.324 4.602 1.00 0.00 C ATOM 1117 CG PHE A 69 7.033 -0.234 3.657 1.00 0.00 C ATOM 1118 CD1 PHE A 69 7.039 0.138 2.322 1.00 0.00 C ATOM 1119 CD2 PHE A 69 7.990 -1.130 4.104 1.00 0.00 C ATOM 1120 CE1 PHE A 69 7.981 -0.374 1.450 1.00 0.00 C ATOM 1121 CE2 PHE A 69 8.935 -1.646 3.237 1.00 0.00 C ATOM 1122 CZ PHE A 69 8.930 -1.267 1.908 1.00 0.00 C ATOM 0 H PHE A 69 5.126 1.032 6.798 1.00 0.00 H new ATOM 0 HA PHE A 69 7.524 1.605 5.414 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.789 -0.419 5.369 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.080 0.500 4.057 1.00 0.00 H new ATOM 0 HD1 PHE A 69 6.299 0.836 1.959 1.00 0.00 H new ATOM 0 HD2 PHE A 69 7.998 -1.429 5.142 1.00 0.00 H new ATOM 0 HE1 PHE A 69 7.975 -0.076 0.412 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.676 -2.344 3.598 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.667 -1.669 1.228 1.00 0.00 H new ATOM 1132 N LEU A 70 4.925 3.413 4.662 1.00 0.00 N ATOM 1133 CA LEU A 70 4.463 4.568 3.899 1.00 0.00 C ATOM 1134 C LEU A 70 5.332 5.781 4.198 1.00 0.00 C ATOM 1135 O LEU A 70 5.790 6.470 3.286 1.00 0.00 O ATOM 1136 CB LEU A 70 3.001 4.890 4.221 1.00 0.00 C ATOM 1137 CG LEU A 70 2.023 4.729 3.053 1.00 0.00 C ATOM 1138 CD1 LEU A 70 0.623 5.147 3.472 1.00 0.00 C ATOM 1139 CD2 LEU A 70 2.482 5.542 1.850 1.00 0.00 C ATOM 0 H LEU A 70 4.289 3.115 5.402 1.00 0.00 H new ATOM 0 HA LEU A 70 4.540 4.322 2.840 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.675 4.245 5.037 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.943 5.917 4.583 1.00 0.00 H new ATOM 0 HG LEU A 70 2.001 3.677 2.767 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.060 5.027 2.631 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.290 4.523 4.302 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.633 6.191 3.784 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.773 5.413 1.032 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.535 6.596 2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.467 5.199 1.534 1.00 0.00 H new ATOM 1151 N LYS A 71 5.542 6.046 5.483 1.00 0.00 N ATOM 1152 CA LYS A 71 6.367 7.170 5.904 1.00 0.00 C ATOM 1153 C LYS A 71 7.745 7.097 5.258 1.00 0.00 C ATOM 1154 O LYS A 71 8.297 8.114 4.832 1.00 0.00 O ATOM 1155 CB LYS A 71 6.504 7.187 7.428 1.00 0.00 C ATOM 1156 CG LYS A 71 5.542 8.142 8.116 1.00 0.00 C ATOM 1157 CD LYS A 71 5.846 8.266 9.600 1.00 0.00 C ATOM 1158 CE LYS A 71 4.726 8.978 10.340 1.00 0.00 C ATOM 1159 NZ LYS A 71 4.910 8.920 11.816 1.00 0.00 N ATOM 0 H LYS A 71 5.152 5.498 6.250 1.00 0.00 H new ATOM 0 HA LYS A 71 5.880 8.091 5.582 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.338 6.180 7.810 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.526 7.463 7.689 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.605 9.124 7.647 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.519 7.790 7.981 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.992 7.274 10.027 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.779 8.813 9.737 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.684 10.019 10.020 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.771 8.525 10.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.125 9.417 12.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.924 7.927 12.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.809 9.375 12.072 1.00 0.00 H new ATOM 1173 N ALA A 72 8.295 5.888 5.185 1.00 0.00 N ATOM 1174 CA ALA A 72 9.613 5.686 4.588 1.00 0.00 C ATOM 1175 C ALA A 72 9.547 5.731 3.064 1.00 0.00 C ATOM 1176 O ALA A 72 10.389 6.351 2.413 1.00 0.00 O ATOM 1177 CB ALA A 72 10.203 4.363 5.051 1.00 0.00 C ATOM 0 H ALA A 72 7.851 5.037 5.530 1.00 0.00 H new ATOM 0 HA ALA A 72 10.259 6.499 4.919 1.00 0.00 H new ATOM 0 HB1 ALA A 72 11.185 4.225 4.599 1.00 0.00 H new ATOM 0 HB2 ALA A 72 10.301 4.368 6.137 1.00 0.00 H new ATOM 0 HB3 ALA A 72 9.547 3.547 4.750 1.00 0.00 H new ATOM 1183 N LEU A 73 8.546 5.064 2.501 1.00 0.00 N ATOM 1184 CA LEU A 73 8.365 5.024 1.054 1.00 0.00 C ATOM 1185 C LEU A 73 8.227 6.430 0.481 1.00 0.00 C ATOM 1186 O LEU A 73 8.872 6.774 -0.506 1.00 0.00 O ATOM 1187 CB LEU A 73 7.129 4.191 0.700 1.00 0.00 C ATOM 1188 CG LEU A 73 6.673 4.284 -0.758 1.00 0.00 C ATOM 1189 CD1 LEU A 73 7.542 3.408 -1.647 1.00 0.00 C ATOM 1190 CD2 LEU A 73 5.210 3.886 -0.883 1.00 0.00 C ATOM 0 H LEU A 73 7.845 4.542 3.026 1.00 0.00 H new ATOM 0 HA LEU A 73 9.248 4.560 0.614 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.336 3.147 0.933 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.305 4.503 1.342 1.00 0.00 H new ATOM 0 HG LEU A 73 6.779 5.318 -1.087 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.202 3.487 -2.680 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.579 3.737 -1.580 1.00 0.00 H new ATOM 0 HD13 LEU A 73 7.468 2.371 -1.320 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.901 3.958 -1.926 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.081 2.861 -0.536 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.598 4.554 -0.277 1.00 0.00 H new ATOM 1202 N GLN A 74 7.382 7.237 1.111 1.00 0.00 N ATOM 1203 CA GLN A 74 7.149 8.605 0.665 1.00 0.00 C ATOM 1204 C GLN A 74 8.449 9.401 0.619 1.00 0.00 C ATOM 1205 O GLN A 74 8.801 9.975 -0.414 1.00 0.00 O ATOM 1206 CB GLN A 74 6.149 9.300 1.591 1.00 0.00 C ATOM 1207 CG GLN A 74 5.633 10.622 1.046 1.00 0.00 C ATOM 1208 CD GLN A 74 6.425 11.812 1.552 1.00 0.00 C ATOM 1209 OE1 GLN A 74 6.937 11.801 2.672 1.00 0.00 O ATOM 1210 NE2 GLN A 74 6.528 12.848 0.728 1.00 0.00 N ATOM 0 H GLN A 74 6.845 6.966 1.935 1.00 0.00 H new ATOM 0 HA GLN A 74 6.738 8.562 -0.344 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.304 8.634 1.765 1.00 0.00 H new ATOM 0 HB3 GLN A 74 6.622 9.475 2.557 1.00 0.00 H new ATOM 0 HG2 GLN A 74 5.672 10.601 -0.043 1.00 0.00 H new ATOM 0 HG3 GLN A 74 4.586 10.742 1.325 1.00 0.00 H new ATOM 0 HE21 GLN A 74 6.088 12.814 -0.191 1.00 0.00 H new ATOM 0 HE22 GLN A 74 7.047 13.678 1.014 1.00 0.00 H new ATOM 1219 N GLU A 75 9.164 9.428 1.740 1.00 0.00 N ATOM 1220 CA GLU A 75 10.420 10.168 1.822 1.00 0.00 C ATOM 1221 C GLU A 75 11.475 9.571 0.894 1.00 0.00 C ATOM 1222 O GLU A 75 12.304 10.292 0.338 1.00 0.00 O ATOM 1223 CB GLU A 75 10.936 10.189 3.264 1.00 0.00 C ATOM 1224 CG GLU A 75 11.335 8.822 3.795 1.00 0.00 C ATOM 1225 CD GLU A 75 11.900 8.885 5.201 1.00 0.00 C ATOM 1226 OE1 GLU A 75 11.103 8.861 6.162 1.00 0.00 O ATOM 1227 OE2 GLU A 75 13.139 8.958 5.340 1.00 0.00 O ATOM 0 H GLU A 75 8.897 8.949 2.600 1.00 0.00 H new ATOM 0 HA GLU A 75 10.226 11.191 1.501 1.00 0.00 H new ATOM 0 HB2 GLU A 75 11.796 10.856 3.322 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.164 10.608 3.910 1.00 0.00 H new ATOM 0 HG2 GLU A 75 10.465 8.165 3.786 1.00 0.00 H new ATOM 0 HG3 GLU A 75 12.076 8.380 3.129 1.00 0.00 H new ATOM 1234 N LYS A 76 11.432 8.254 0.725 1.00 0.00 N ATOM 1235 CA LYS A 76 12.387 7.560 -0.131 1.00 0.00 C ATOM 1236 C LYS A 76 12.200 7.956 -1.591 1.00 0.00 C ATOM 1237 O LYS A 76 13.126 8.459 -2.232 1.00 0.00 O ATOM 1238 CB LYS A 76 12.236 6.045 0.020 1.00 0.00 C ATOM 1239 CG LYS A 76 13.092 5.455 1.129 1.00 0.00 C ATOM 1240 CD LYS A 76 13.100 3.935 1.077 1.00 0.00 C ATOM 1241 CE LYS A 76 14.105 3.349 2.056 1.00 0.00 C ATOM 1242 NZ LYS A 76 13.954 1.873 2.189 1.00 0.00 N ATOM 0 H LYS A 76 10.745 7.645 1.170 1.00 0.00 H new ATOM 0 HA LYS A 76 13.390 7.851 0.181 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.190 5.810 0.216 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.498 5.566 -0.924 1.00 0.00 H new ATOM 0 HG2 LYS A 76 14.112 5.829 1.041 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.714 5.785 2.097 1.00 0.00 H new ATOM 0 HD2 LYS A 76 12.104 3.557 1.307 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.341 3.606 0.066 1.00 0.00 H new ATOM 0 HE2 LYS A 76 15.116 3.582 1.722 1.00 0.00 H new ATOM 0 HE3 LYS A 76 13.976 3.817 3.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.657 1.512 2.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.998 1.651 2.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 14.102 1.424 1.263 1.00 0.00 H new ATOM 1256 N VAL A 77 10.995 7.735 -2.112 1.00 0.00 N ATOM 1257 CA VAL A 77 10.699 8.068 -3.500 1.00 0.00 C ATOM 1258 C VAL A 77 10.758 9.574 -3.716 1.00 0.00 C ATOM 1259 O VAL A 77 10.871 10.047 -4.847 1.00 0.00 O ATOM 1260 CB VAL A 77 9.320 7.535 -3.948 1.00 0.00 C ATOM 1261 CG1 VAL A 77 9.047 6.166 -3.345 1.00 0.00 C ATOM 1262 CG2 VAL A 77 8.211 8.511 -3.587 1.00 0.00 C ATOM 0 H VAL A 77 10.214 7.329 -1.597 1.00 0.00 H new ATOM 0 HA VAL A 77 11.461 7.581 -4.109 1.00 0.00 H new ATOM 0 HB VAL A 77 9.339 7.433 -5.033 1.00 0.00 H new ATOM 0 HG11 VAL A 77 8.070 5.811 -3.675 1.00 0.00 H new ATOM 0 HG12 VAL A 77 9.816 5.465 -3.670 1.00 0.00 H new ATOM 0 HG13 VAL A 77 9.058 6.239 -2.257 1.00 0.00 H new ATOM 0 HG21 VAL A 77 7.252 8.109 -3.914 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.193 8.658 -2.507 1.00 0.00 H new ATOM 0 HG23 VAL A 77 8.392 9.466 -4.080 1.00 0.00 H new ATOM 1272 N GLU A 78 10.681 10.322 -2.620 1.00 0.00 N ATOM 1273 CA GLU A 78 10.737 11.775 -2.686 1.00 0.00 C ATOM 1274 C GLU A 78 12.144 12.234 -3.032 1.00 0.00 C ATOM 1275 O GLU A 78 12.351 12.961 -4.004 1.00 0.00 O ATOM 1276 CB GLU A 78 10.304 12.391 -1.354 1.00 0.00 C ATOM 1277 CG GLU A 78 8.963 13.103 -1.419 1.00 0.00 C ATOM 1278 CD GLU A 78 8.932 14.366 -0.580 1.00 0.00 C ATOM 1279 OE1 GLU A 78 9.107 14.264 0.653 1.00 0.00 O ATOM 1280 OE2 GLU A 78 8.734 15.456 -1.155 1.00 0.00 O ATOM 0 H GLU A 78 10.580 9.945 -1.678 1.00 0.00 H new ATOM 0 HA GLU A 78 10.052 12.108 -3.466 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.252 11.606 -0.600 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.066 13.098 -1.026 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.739 13.354 -2.456 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.179 12.426 -1.079 1.00 0.00 H new ATOM 1287 N ILE A 79 13.109 11.809 -2.222 1.00 0.00 N ATOM 1288 CA ILE A 79 14.505 12.176 -2.440 1.00 0.00 C ATOM 1289 C ILE A 79 15.143 11.360 -3.566 1.00 0.00 C ATOM 1290 O ILE A 79 16.147 10.676 -3.360 1.00 0.00 O ATOM 1291 CB ILE A 79 15.337 12.010 -1.152 1.00 0.00 C ATOM 1292 CG1 ILE A 79 14.614 12.656 0.031 1.00 0.00 C ATOM 1293 CG2 ILE A 79 16.721 12.621 -1.327 1.00 0.00 C ATOM 1294 CD1 ILE A 79 14.611 11.801 1.278 1.00 0.00 C ATOM 0 H ILE A 79 12.951 11.212 -1.411 1.00 0.00 H new ATOM 0 HA ILE A 79 14.505 13.226 -2.732 1.00 0.00 H new ATOM 0 HB ILE A 79 15.455 10.945 -0.950 1.00 0.00 H new ATOM 0 HG12 ILE A 79 15.087 13.612 0.257 1.00 0.00 H new ATOM 0 HG13 ILE A 79 13.584 12.869 -0.256 1.00 0.00 H new ATOM 0 HG21 ILE A 79 17.293 12.494 -0.408 1.00 0.00 H new ATOM 0 HG22 ILE A 79 17.237 12.123 -2.148 1.00 0.00 H new ATOM 0 HG23 ILE A 79 16.624 13.683 -1.551 1.00 0.00 H new ATOM 0 HD11 ILE A 79 14.081 12.322 2.075 1.00 0.00 H new ATOM 0 HD12 ILE A 79 14.112 10.855 1.069 1.00 0.00 H new ATOM 0 HD13 ILE A 79 15.638 11.609 1.590 1.00 0.00 H new ATOM 1306 N LYS A 80 14.538 11.422 -4.752 1.00 0.00 N ATOM 1307 CA LYS A 80 15.048 10.722 -5.927 1.00 0.00 C ATOM 1308 C LYS A 80 14.856 9.208 -5.812 1.00 0.00 C ATOM 1309 O LYS A 80 15.436 8.552 -4.945 1.00 0.00 O ATOM 1310 CB LYS A 80 16.519 11.099 -6.168 1.00 0.00 C ATOM 1311 CG LYS A 80 17.511 9.947 -6.061 1.00 0.00 C ATOM 1312 CD LYS A 80 18.816 10.267 -6.772 1.00 0.00 C ATOM 1313 CE LYS A 80 19.636 11.291 -6.003 1.00 0.00 C ATOM 1314 NZ LYS A 80 20.151 12.369 -6.891 1.00 0.00 N ATOM 0 H LYS A 80 13.686 11.956 -4.923 1.00 0.00 H new ATOM 0 HA LYS A 80 14.470 11.039 -6.795 1.00 0.00 H new ATOM 0 HB2 LYS A 80 16.606 11.541 -7.161 1.00 0.00 H new ATOM 0 HB3 LYS A 80 16.802 11.869 -5.450 1.00 0.00 H new ATOM 0 HG2 LYS A 80 17.711 9.734 -5.011 1.00 0.00 H new ATOM 0 HG3 LYS A 80 17.072 9.047 -6.491 1.00 0.00 H new ATOM 0 HD2 LYS A 80 19.397 9.353 -6.896 1.00 0.00 H new ATOM 0 HD3 LYS A 80 18.603 10.647 -7.771 1.00 0.00 H new ATOM 0 HE2 LYS A 80 19.023 11.731 -5.216 1.00 0.00 H new ATOM 0 HE3 LYS A 80 20.473 10.793 -5.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 20.705 13.047 -6.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 20.757 11.953 -7.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 19.352 12.862 -7.338 1.00 0.00 H new ATOM 1328 N GLN A 81 14.007 8.681 -6.696 1.00 0.00 N ATOM 1329 CA GLN A 81 13.704 7.250 -6.750 1.00 0.00 C ATOM 1330 C GLN A 81 12.521 6.984 -7.678 1.00 0.00 C ATOM 1331 O GLN A 81 12.702 6.678 -8.857 1.00 0.00 O ATOM 1332 CB GLN A 81 13.397 6.701 -5.355 1.00 0.00 C ATOM 1333 CG GLN A 81 14.457 5.747 -4.833 1.00 0.00 C ATOM 1334 CD GLN A 81 13.908 4.759 -3.822 1.00 0.00 C ATOM 1335 OE1 GLN A 81 12.911 5.028 -3.152 1.00 0.00 O ATOM 1336 NE2 GLN A 81 14.558 3.607 -3.707 1.00 0.00 N ATOM 0 H GLN A 81 13.510 9.234 -7.394 1.00 0.00 H new ATOM 0 HA GLN A 81 14.585 6.740 -7.141 1.00 0.00 H new ATOM 0 HB2 GLN A 81 13.295 7.534 -4.660 1.00 0.00 H new ATOM 0 HB3 GLN A 81 12.436 6.186 -5.379 1.00 0.00 H new ATOM 0 HG2 GLN A 81 14.892 5.200 -5.670 1.00 0.00 H new ATOM 0 HG3 GLN A 81 15.262 6.321 -4.374 1.00 0.00 H new ATOM 0 HE21 GLN A 81 15.380 3.426 -4.283 1.00 0.00 H new ATOM 0 HE22 GLN A 81 14.235 2.903 -3.043 1.00 0.00 H new ATOM 1345 N LEU A 82 11.312 7.104 -7.137 1.00 0.00 N ATOM 1346 CA LEU A 82 10.099 6.879 -7.914 1.00 0.00 C ATOM 1347 C LEU A 82 8.982 7.811 -7.457 1.00 0.00 C ATOM 1348 O LEU A 82 8.028 7.385 -6.806 1.00 0.00 O ATOM 1349 CB LEU A 82 9.646 5.422 -7.794 1.00 0.00 C ATOM 1350 CG LEU A 82 10.002 4.732 -6.476 1.00 0.00 C ATOM 1351 CD1 LEU A 82 8.874 3.813 -6.036 1.00 0.00 C ATOM 1352 CD2 LEU A 82 11.300 3.951 -6.620 1.00 0.00 C ATOM 0 H LEU A 82 11.147 7.356 -6.163 1.00 0.00 H new ATOM 0 HA LEU A 82 10.324 7.093 -8.959 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.565 5.383 -7.925 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.086 4.853 -8.613 1.00 0.00 H new ATOM 0 HG LEU A 82 10.142 5.496 -5.712 1.00 0.00 H new ATOM 0 HD11 LEU A 82 9.144 3.330 -5.097 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.964 4.396 -5.896 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.705 3.053 -6.799 1.00 0.00 H new ATOM 0 HD21 LEU A 82 11.540 3.466 -5.674 1.00 0.00 H new ATOM 0 HD22 LEU A 82 11.185 3.195 -7.397 1.00 0.00 H new ATOM 0 HD23 LEU A 82 12.106 4.632 -6.893 1.00 0.00 H new ATOM 1364 N ASN A 83 9.106 9.086 -7.809 1.00 0.00 N ATOM 1365 CA ASN A 83 8.111 10.083 -7.436 1.00 0.00 C ATOM 1366 C ASN A 83 6.827 9.889 -8.239 1.00 0.00 C ATOM 1367 O ASN A 83 5.773 10.420 -7.884 1.00 0.00 O ATOM 1368 CB ASN A 83 8.672 11.491 -7.657 1.00 0.00 C ATOM 1369 CG ASN A 83 7.588 12.550 -7.733 1.00 0.00 C ATOM 1370 OD1 ASN A 83 6.803 12.720 -6.800 1.00 0.00 O ATOM 1371 ND2 ASN A 83 7.539 13.268 -8.849 1.00 0.00 N ATOM 0 H ASN A 83 9.887 9.453 -8.353 1.00 0.00 H new ATOM 0 HA ASN A 83 7.874 9.960 -6.379 1.00 0.00 H new ATOM 0 HB2 ASN A 83 9.357 11.736 -6.845 1.00 0.00 H new ATOM 0 HB3 ASN A 83 9.253 11.505 -8.579 1.00 0.00 H new ATOM 0 HD21 ASN A 83 6.831 13.994 -8.958 1.00 0.00 H new ATOM 0 HD22 ASN A 83 8.210 13.094 -9.598 1.00 0.00 H new ATOM 1378 N HIS A 84 6.921 9.119 -9.319 1.00 0.00 N ATOM 1379 CA HIS A 84 5.766 8.855 -10.171 1.00 0.00 C ATOM 1380 C HIS A 84 4.705 8.055 -9.421 1.00 0.00 C ATOM 1381 O HIS A 84 3.511 8.331 -9.539 1.00 0.00 O ATOM 1382 CB HIS A 84 6.189 8.107 -11.439 1.00 0.00 C ATOM 1383 CG HIS A 84 7.275 7.100 -11.217 1.00 0.00 C ATOM 1384 ND1 HIS A 84 8.575 7.292 -11.636 1.00 0.00 N ATOM 1385 CD2 HIS A 84 7.250 5.884 -10.621 1.00 0.00 C ATOM 1386 CE1 HIS A 84 9.301 6.237 -11.310 1.00 0.00 C ATOM 1387 NE2 HIS A 84 8.521 5.370 -10.692 1.00 0.00 N ATOM 0 H HIS A 84 7.783 8.668 -9.625 1.00 0.00 H new ATOM 0 HA HIS A 84 5.336 9.815 -10.457 1.00 0.00 H new ATOM 0 HB2 HIS A 84 5.319 7.602 -11.858 1.00 0.00 H new ATOM 0 HB3 HIS A 84 6.525 8.831 -12.181 1.00 0.00 H new ATOM 0 HD2 HIS A 84 6.390 5.408 -10.173 1.00 0.00 H new ATOM 0 HE1 HIS A 84 10.353 6.106 -11.514 1.00 0.00 H new ATOM 0 HE2 HIS A 84 8.815 4.464 -10.326 1.00 0.00 H new ATOM 1396 N PHE A 85 5.143 7.064 -8.649 1.00 0.00 N ATOM 1397 CA PHE A 85 4.218 6.235 -7.885 1.00 0.00 C ATOM 1398 C PHE A 85 3.473 7.072 -6.854 1.00 0.00 C ATOM 1399 O PHE A 85 2.373 6.718 -6.432 1.00 0.00 O ATOM 1400 CB PHE A 85 4.958 5.090 -7.189 1.00 0.00 C ATOM 1401 CG PHE A 85 4.042 4.000 -6.701 1.00 0.00 C ATOM 1402 CD1 PHE A 85 3.348 3.209 -7.602 1.00 0.00 C ATOM 1403 CD2 PHE A 85 3.873 3.770 -5.344 1.00 0.00 C ATOM 1404 CE1 PHE A 85 2.503 2.209 -7.160 1.00 0.00 C ATOM 1405 CE2 PHE A 85 3.028 2.770 -4.896 1.00 0.00 C ATOM 1406 CZ PHE A 85 2.342 1.989 -5.806 1.00 0.00 C ATOM 0 H PHE A 85 6.126 6.817 -8.537 1.00 0.00 H new ATOM 0 HA PHE A 85 3.497 5.810 -8.583 1.00 0.00 H new ATOM 0 HB2 PHE A 85 5.684 4.663 -7.880 1.00 0.00 H new ATOM 0 HB3 PHE A 85 5.519 5.489 -6.344 1.00 0.00 H new ATOM 0 HD1 PHE A 85 3.469 3.376 -8.662 1.00 0.00 H new ATOM 0 HD2 PHE A 85 4.407 4.378 -4.629 1.00 0.00 H new ATOM 0 HE1 PHE A 85 1.968 1.599 -7.873 1.00 0.00 H new ATOM 0 HE2 PHE A 85 2.905 2.600 -3.837 1.00 0.00 H new ATOM 0 HZ PHE A 85 1.681 1.208 -5.459 1.00 0.00 H new ATOM 1416 N TRP A 86 4.079 8.185 -6.451 1.00 0.00 N ATOM 1417 CA TRP A 86 3.468 9.071 -5.474 1.00 0.00 C ATOM 1418 C TRP A 86 2.396 9.934 -6.131 1.00 0.00 C ATOM 1419 O TRP A 86 1.276 10.035 -5.629 1.00 0.00 O ATOM 1420 CB TRP A 86 4.529 9.951 -4.816 1.00 0.00 C ATOM 1421 CG TRP A 86 4.003 10.732 -3.654 1.00 0.00 C ATOM 1422 CD1 TRP A 86 3.960 12.088 -3.532 1.00 0.00 C ATOM 1423 CD2 TRP A 86 3.441 10.199 -2.451 1.00 0.00 C ATOM 1424 NE1 TRP A 86 3.405 12.435 -2.324 1.00 0.00 N ATOM 1425 CE2 TRP A 86 3.078 11.292 -1.642 1.00 0.00 C ATOM 1426 CE3 TRP A 86 3.209 8.904 -1.981 1.00 0.00 C ATOM 1427 CZ2 TRP A 86 2.495 11.126 -0.388 1.00 0.00 C ATOM 1428 CZ3 TRP A 86 2.631 8.741 -0.737 1.00 0.00 C ATOM 1429 CH2 TRP A 86 2.279 9.846 0.047 1.00 0.00 C ATOM 0 H TRP A 86 4.992 8.492 -6.787 1.00 0.00 H new ATOM 0 HA TRP A 86 2.996 8.461 -4.704 1.00 0.00 H new ATOM 0 HB2 TRP A 86 5.356 9.325 -4.481 1.00 0.00 H new ATOM 0 HB3 TRP A 86 4.932 10.641 -5.558 1.00 0.00 H new ATOM 0 HD1 TRP A 86 4.311 12.788 -4.276 1.00 0.00 H new ATOM 0 HE1 TRP A 86 3.260 13.388 -1.989 1.00 0.00 H new ATOM 0 HE3 TRP A 86 3.477 8.046 -2.579 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 2.223 11.977 0.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 2.448 7.745 -0.363 1.00 0.00 H new ATOM 0 HH2 TRP A 86 1.828 9.685 1.015 1.00 0.00 H new ATOM 1440 N GLU A 87 2.744 10.549 -7.260 1.00 0.00 N ATOM 1441 CA GLU A 87 1.803 11.393 -7.989 1.00 0.00 C ATOM 1442 C GLU A 87 0.629 10.554 -8.479 1.00 0.00 C ATOM 1443 O GLU A 87 -0.442 11.074 -8.792 1.00 0.00 O ATOM 1444 CB GLU A 87 2.496 12.071 -9.173 1.00 0.00 C ATOM 1445 CG GLU A 87 3.337 13.274 -8.777 1.00 0.00 C ATOM 1446 CD GLU A 87 4.105 13.858 -9.947 1.00 0.00 C ATOM 1447 OE1 GLU A 87 5.120 13.253 -10.352 1.00 0.00 O ATOM 1448 OE2 GLU A 87 3.691 14.920 -10.458 1.00 0.00 O ATOM 0 H GLU A 87 3.667 10.478 -7.687 1.00 0.00 H new ATOM 0 HA GLU A 87 1.433 12.167 -7.317 1.00 0.00 H new ATOM 0 HB2 GLU A 87 3.132 11.343 -9.677 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.741 12.387 -9.893 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.690 14.041 -8.352 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.039 12.981 -7.996 1.00 0.00 H new ATOM 1455 N ILE A 88 0.852 9.247 -8.538 1.00 0.00 N ATOM 1456 CA ILE A 88 -0.177 8.312 -8.968 1.00 0.00 C ATOM 1457 C ILE A 88 -1.056 7.926 -7.785 1.00 0.00 C ATOM 1458 O ILE A 88 -2.263 8.167 -7.789 1.00 0.00 O ATOM 1459 CB ILE A 88 0.435 7.039 -9.593 1.00 0.00 C ATOM 1460 CG1 ILE A 88 1.057 7.363 -10.953 1.00 0.00 C ATOM 1461 CG2 ILE A 88 -0.620 5.951 -9.736 1.00 0.00 C ATOM 1462 CD1 ILE A 88 2.049 6.323 -11.428 1.00 0.00 C ATOM 0 H ILE A 88 1.740 8.810 -8.292 1.00 0.00 H new ATOM 0 HA ILE A 88 -0.778 8.809 -9.730 1.00 0.00 H new ATOM 0 HB ILE A 88 1.218 6.671 -8.930 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.262 7.460 -11.693 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.557 8.330 -10.894 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.169 5.063 -10.178 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.022 5.703 -8.754 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.425 6.307 -10.379 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.449 6.618 -12.398 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.864 6.242 -10.708 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.549 5.359 -11.520 1.00 0.00 H new ATOM 1474 N VAL A 89 -0.435 7.317 -6.778 1.00 0.00 N ATOM 1475 CA VAL A 89 -1.144 6.900 -5.571 1.00 0.00 C ATOM 1476 C VAL A 89 -2.008 8.029 -5.011 1.00 0.00 C ATOM 1477 O VAL A 89 -3.064 7.781 -4.429 1.00 0.00 O ATOM 1478 CB VAL A 89 -0.161 6.420 -4.482 1.00 0.00 C ATOM 1479 CG1 VAL A 89 -0.856 6.305 -3.132 1.00 0.00 C ATOM 1480 CG2 VAL A 89 0.461 5.090 -4.877 1.00 0.00 C ATOM 0 H VAL A 89 0.562 7.101 -6.774 1.00 0.00 H new ATOM 0 HA VAL A 89 -1.791 6.071 -5.857 1.00 0.00 H new ATOM 0 HB VAL A 89 0.633 7.162 -4.391 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.141 5.965 -2.383 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.251 7.279 -2.842 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.674 5.589 -3.204 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.152 4.766 -4.098 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -0.324 4.344 -5.000 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.002 5.206 -5.816 1.00 0.00 H new ATOM 1490 N VAL A 90 -1.570 9.270 -5.203 1.00 0.00 N ATOM 1491 CA VAL A 90 -2.319 10.418 -4.705 1.00 0.00 C ATOM 1492 C VAL A 90 -3.495 10.728 -5.627 1.00 0.00 C ATOM 1493 O VAL A 90 -4.623 10.911 -5.170 1.00 0.00 O ATOM 1494 CB VAL A 90 -1.426 11.670 -4.553 1.00 0.00 C ATOM 1495 CG1 VAL A 90 -0.877 12.121 -5.897 1.00 0.00 C ATOM 1496 CG2 VAL A 90 -2.198 12.796 -3.881 1.00 0.00 C ATOM 0 H VAL A 90 -0.708 9.505 -5.695 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.694 10.154 -3.716 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.579 11.405 -3.920 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.253 13.004 -5.757 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.280 11.320 -6.334 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.704 12.363 -6.565 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.554 13.670 -3.782 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.068 13.053 -4.486 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.526 12.473 -2.893 1.00 0.00 H new ATOM 1506 N GLN A 91 -3.216 10.797 -6.925 1.00 0.00 N ATOM 1507 CA GLN A 91 -4.248 11.064 -7.920 1.00 0.00 C ATOM 1508 C GLN A 91 -5.387 10.056 -7.801 1.00 0.00 C ATOM 1509 O GLN A 91 -6.554 10.398 -7.993 1.00 0.00 O ATOM 1510 CB GLN A 91 -3.652 11.016 -9.329 1.00 0.00 C ATOM 1511 CG GLN A 91 -4.415 11.854 -10.341 1.00 0.00 C ATOM 1512 CD GLN A 91 -3.752 11.865 -11.705 1.00 0.00 C ATOM 1513 OE1 GLN A 91 -3.847 10.898 -12.462 1.00 0.00 O ATOM 1514 NE2 GLN A 91 -3.076 12.962 -12.025 1.00 0.00 N ATOM 0 H GLN A 91 -2.281 10.671 -7.313 1.00 0.00 H new ATOM 0 HA GLN A 91 -4.648 12.062 -7.737 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -2.619 11.361 -9.289 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -3.630 9.981 -9.670 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -5.429 11.467 -10.437 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -4.497 12.877 -9.973 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -3.024 13.739 -11.366 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -2.609 13.028 -12.929 1.00 0.00 H new ATOM 1523 N ASP A 92 -5.039 8.811 -7.482 1.00 0.00 N ATOM 1524 CA ASP A 92 -6.031 7.749 -7.333 1.00 0.00 C ATOM 1525 C ASP A 92 -6.932 7.994 -6.124 1.00 0.00 C ATOM 1526 O ASP A 92 -7.794 7.175 -5.805 1.00 0.00 O ATOM 1527 CB ASP A 92 -5.338 6.393 -7.198 1.00 0.00 C ATOM 1528 CG ASP A 92 -5.863 5.373 -8.190 1.00 0.00 C ATOM 1529 OD1 ASP A 92 -5.638 5.556 -9.404 1.00 0.00 O ATOM 1530 OD2 ASP A 92 -6.498 4.391 -7.751 1.00 0.00 O ATOM 0 H ASP A 92 -4.077 8.513 -7.322 1.00 0.00 H new ATOM 0 HA ASP A 92 -6.655 7.749 -8.227 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.266 6.520 -7.345 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.478 6.016 -6.185 1.00 0.00 H new ATOM 1535 N GLY A 93 -6.726 9.124 -5.455 1.00 0.00 N ATOM 1536 CA GLY A 93 -7.531 9.460 -4.295 1.00 0.00 C ATOM 1537 C GLY A 93 -7.100 8.732 -3.035 1.00 0.00 C ATOM 1538 O GLY A 93 -7.677 8.946 -1.968 1.00 0.00 O ATOM 0 H GLY A 93 -6.015 9.814 -5.696 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -7.476 10.535 -4.122 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -8.574 9.224 -4.504 1.00 0.00 H new ATOM 1542 N ILE A 94 -6.091 7.872 -3.147 1.00 0.00 N ATOM 1543 CA ILE A 94 -5.603 7.126 -1.992 1.00 0.00 C ATOM 1544 C ILE A 94 -5.069 8.072 -0.924 1.00 0.00 C ATOM 1545 O ILE A 94 -4.273 8.966 -1.215 1.00 0.00 O ATOM 1546 CB ILE A 94 -4.488 6.134 -2.382 1.00 0.00 C ATOM 1547 CG1 ILE A 94 -4.904 5.309 -3.605 1.00 0.00 C ATOM 1548 CG2 ILE A 94 -4.147 5.229 -1.206 1.00 0.00 C ATOM 1549 CD1 ILE A 94 -5.976 4.278 -3.314 1.00 0.00 C ATOM 0 H ILE A 94 -5.599 7.676 -4.019 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.450 6.565 -1.598 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.595 6.701 -2.645 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.264 5.984 -4.381 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -4.026 4.803 -4.005 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.359 4.535 -1.498 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.805 5.835 -0.367 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.033 4.668 -0.910 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -6.217 3.735 -4.228 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -5.613 3.578 -2.561 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -6.871 4.778 -2.943 1.00 0.00 H new ATOM 1561 N THR A 95 -5.510 7.872 0.313 1.00 0.00 N ATOM 1562 CA THR A 95 -5.076 8.713 1.421 1.00 0.00 C ATOM 1563 C THR A 95 -4.364 7.897 2.491 1.00 0.00 C ATOM 1564 O THR A 95 -4.700 6.737 2.728 1.00 0.00 O ATOM 1565 CB THR A 95 -6.263 9.453 2.063 1.00 0.00 C ATOM 1566 OG1 THR A 95 -7.128 8.517 2.719 1.00 0.00 O ATOM 1567 CG2 THR A 95 -7.049 10.228 1.016 1.00 0.00 C ATOM 0 H THR A 95 -6.167 7.136 0.573 1.00 0.00 H new ATOM 0 HA THR A 95 -4.381 9.443 1.006 1.00 0.00 H new ATOM 0 HB THR A 95 -5.869 10.158 2.795 1.00 0.00 H new ATOM 0 HG1 THR A 95 -7.880 8.996 3.126 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.883 10.742 1.494 1.00 0.00 H new ATOM 0 HG22 THR A 95 -6.397 10.959 0.539 1.00 0.00 H new ATOM 0 HG23 THR A 95 -7.432 9.538 0.264 1.00 0.00 H new ATOM 1575 N LEU A 96 -3.369 8.514 3.125 1.00 0.00 N ATOM 1576 CA LEU A 96 -2.599 7.865 4.181 1.00 0.00 C ATOM 1577 C LEU A 96 -3.506 7.204 5.212 1.00 0.00 C ATOM 1578 O LEU A 96 -4.725 7.380 5.196 1.00 0.00 O ATOM 1579 CB LEU A 96 -1.698 8.890 4.878 1.00 0.00 C ATOM 1580 CG LEU A 96 -0.250 8.959 4.378 1.00 0.00 C ATOM 1581 CD1 LEU A 96 0.639 8.033 5.191 1.00 0.00 C ATOM 1582 CD2 LEU A 96 -0.162 8.622 2.895 1.00 0.00 C ATOM 0 H LEU A 96 -3.076 9.470 2.923 1.00 0.00 H new ATOM 0 HA LEU A 96 -1.989 7.090 3.716 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.148 9.876 4.766 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.683 8.666 5.945 1.00 0.00 H new ATOM 0 HG LEU A 96 0.102 9.982 4.509 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.663 8.095 4.822 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.612 8.331 6.239 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.280 7.008 5.096 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.877 8.679 2.570 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.539 7.613 2.728 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.761 9.332 2.324 1.00 0.00 H new ATOM 1594 N ILE A 97 -2.895 6.451 6.117 1.00 0.00 N ATOM 1595 CA ILE A 97 -3.633 5.761 7.161 1.00 0.00 C ATOM 1596 C ILE A 97 -4.274 6.769 8.114 1.00 0.00 C ATOM 1597 O ILE A 97 -3.581 7.453 8.870 1.00 0.00 O ATOM 1598 CB ILE A 97 -2.706 4.798 7.941 1.00 0.00 C ATOM 1599 CG1 ILE A 97 -2.666 3.429 7.253 1.00 0.00 C ATOM 1600 CG2 ILE A 97 -3.154 4.655 9.389 1.00 0.00 C ATOM 1601 CD1 ILE A 97 -1.978 3.443 5.901 1.00 0.00 C ATOM 0 H ILE A 97 -1.886 6.304 6.147 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.422 5.173 6.692 1.00 0.00 H new ATOM 0 HB ILE A 97 -1.701 5.221 7.943 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -2.153 2.721 7.904 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -3.686 3.066 7.127 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -2.484 3.972 9.912 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -3.130 5.630 9.875 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -4.169 4.260 9.418 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -1.989 2.439 5.477 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -2.503 4.125 5.233 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -0.947 3.775 6.021 1.00 0.00 H new ATOM 1613 N THR A 98 -5.599 6.869 8.060 1.00 0.00 N ATOM 1614 CA THR A 98 -6.330 7.800 8.912 1.00 0.00 C ATOM 1615 C THR A 98 -6.755 7.145 10.221 1.00 0.00 C ATOM 1616 O THR A 98 -7.247 6.017 10.234 1.00 0.00 O ATOM 1617 CB THR A 98 -7.579 8.350 8.199 1.00 0.00 C ATOM 1618 OG1 THR A 98 -7.382 8.337 6.780 1.00 0.00 O ATOM 1619 CG2 THR A 98 -7.883 9.768 8.659 1.00 0.00 C ATOM 0 H THR A 98 -6.187 6.317 7.436 1.00 0.00 H new ATOM 0 HA THR A 98 -5.649 8.623 9.130 1.00 0.00 H new ATOM 0 HB THR A 98 -8.425 7.711 8.453 1.00 0.00 H new ATOM 0 HG1 THR A 98 -7.864 7.578 6.390 1.00 0.00 H new ATOM 0 HG21 THR A 98 -8.769 10.136 8.142 1.00 0.00 H new ATOM 0 HG22 THR A 98 -8.062 9.771 9.734 1.00 0.00 H new ATOM 0 HG23 THR A 98 -7.035 10.414 8.431 1.00 0.00 H new ATOM 1627 N LYS A 99 -6.548 7.864 11.321 1.00 0.00 N ATOM 1628 CA LYS A 99 -6.911 7.379 12.649 1.00 0.00 C ATOM 1629 C LYS A 99 -8.317 6.783 12.668 1.00 0.00 C ATOM 1630 O LYS A 99 -8.516 5.654 13.117 1.00 0.00 O ATOM 1631 CB LYS A 99 -6.819 8.522 13.663 1.00 0.00 C ATOM 1632 CG LYS A 99 -7.236 9.872 13.101 1.00 0.00 C ATOM 1633 CD LYS A 99 -7.822 10.767 14.181 1.00 0.00 C ATOM 1634 CE LYS A 99 -6.854 11.871 14.575 1.00 0.00 C ATOM 1635 NZ LYS A 99 -7.402 13.223 14.277 1.00 0.00 N ATOM 0 H LYS A 99 -6.127 8.793 11.318 1.00 0.00 H new ATOM 0 HA LYS A 99 -6.210 6.589 12.918 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.448 8.286 14.522 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.794 8.591 14.028 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.373 10.362 12.649 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.971 9.727 12.309 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -8.753 11.208 13.824 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -8.069 10.168 15.058 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.632 11.796 15.639 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -5.913 11.735 14.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -6.712 13.948 14.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -7.590 13.304 13.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -8.287 13.363 14.805 1.00 0.00 H new ATOM 1649 N GLU A 100 -9.289 7.548 12.181 1.00 0.00 N ATOM 1650 CA GLU A 100 -10.677 7.099 12.153 1.00 0.00 C ATOM 1651 C GLU A 100 -10.850 5.869 11.264 1.00 0.00 C ATOM 1652 O GLU A 100 -11.764 5.070 11.468 1.00 0.00 O ATOM 1653 CB GLU A 100 -11.588 8.225 11.662 1.00 0.00 C ATOM 1654 CG GLU A 100 -13.054 8.013 12.003 1.00 0.00 C ATOM 1655 CD GLU A 100 -13.876 9.279 11.858 1.00 0.00 C ATOM 1656 OE1 GLU A 100 -13.737 10.178 12.713 1.00 0.00 O ATOM 1657 OE2 GLU A 100 -14.659 9.370 10.889 1.00 0.00 O ATOM 0 H GLU A 100 -9.141 8.483 11.800 1.00 0.00 H new ATOM 0 HA GLU A 100 -10.956 6.824 13.170 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -11.255 9.167 12.098 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -11.485 8.319 10.581 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -13.466 7.240 11.354 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -13.136 7.646 13.026 1.00 0.00 H new ATOM 1664 N GLU A 101 -9.969 5.722 10.280 1.00 0.00 N ATOM 1665 CA GLU A 101 -10.034 4.590 9.361 1.00 0.00 C ATOM 1666 C GLU A 101 -9.500 3.315 10.009 1.00 0.00 C ATOM 1667 O GLU A 101 -9.737 2.213 9.514 1.00 0.00 O ATOM 1668 CB GLU A 101 -9.247 4.897 8.086 1.00 0.00 C ATOM 1669 CG GLU A 101 -9.976 5.828 7.131 1.00 0.00 C ATOM 1670 CD GLU A 101 -9.684 5.516 5.676 1.00 0.00 C ATOM 1671 OE1 GLU A 101 -8.702 6.067 5.137 1.00 0.00 O ATOM 1672 OE2 GLU A 101 -10.439 4.722 5.076 1.00 0.00 O ATOM 0 H GLU A 101 -9.203 6.371 10.098 1.00 0.00 H new ATOM 0 HA GLU A 101 -11.081 4.427 9.107 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -8.291 5.345 8.358 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -9.026 3.962 7.571 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -11.049 5.754 7.306 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -9.688 6.858 7.343 1.00 0.00 H new ATOM 1679 N ALA A 102 -8.781 3.469 11.116 1.00 0.00 N ATOM 1680 CA ALA A 102 -8.213 2.325 11.823 1.00 0.00 C ATOM 1681 C ALA A 102 -9.134 1.851 12.945 1.00 0.00 C ATOM 1682 O ALA A 102 -8.723 1.077 13.809 1.00 0.00 O ATOM 1683 CB ALA A 102 -6.841 2.677 12.377 1.00 0.00 C ATOM 0 H ALA A 102 -8.578 4.373 11.543 1.00 0.00 H new ATOM 0 HA ALA A 102 -8.108 1.507 11.110 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -6.429 1.815 12.902 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -6.178 2.954 11.558 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -6.932 3.514 13.069 1.00 0.00 H new ATOM 1689 N SER A 103 -10.382 2.315 12.917 1.00 0.00 N ATOM 1690 CA SER A 103 -11.371 1.946 13.930 1.00 0.00 C ATOM 1691 C SER A 103 -10.831 2.129 15.348 1.00 0.00 C ATOM 1692 O SER A 103 -11.406 1.616 16.308 1.00 0.00 O ATOM 1693 CB SER A 103 -11.815 0.496 13.728 1.00 0.00 C ATOM 1694 OG SER A 103 -13.214 0.361 13.902 1.00 0.00 O ATOM 0 H SER A 103 -10.734 2.950 12.201 1.00 0.00 H new ATOM 0 HA SER A 103 -12.226 2.612 13.810 1.00 0.00 H new ATOM 0 HB2 SER A 103 -11.536 0.163 12.728 1.00 0.00 H new ATOM 0 HB3 SER A 103 -11.294 -0.149 14.435 1.00 0.00 H new ATOM 0 HG SER A 103 -13.472 -0.575 13.766 1.00 0.00 H new ATOM 1700 N GLY A 104 -9.728 2.860 15.477 1.00 0.00 N ATOM 1701 CA GLY A 104 -9.139 3.088 16.784 1.00 0.00 C ATOM 1702 C GLY A 104 -8.796 4.545 17.022 1.00 0.00 C ATOM 1703 O GLY A 104 -8.408 4.924 18.128 1.00 0.00 O ATOM 0 H GLY A 104 -9.232 3.298 14.701 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -9.832 2.751 17.555 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -8.236 2.485 16.882 1.00 0.00 H new ATOM 1707 N SER A 105 -8.941 5.361 15.984 1.00 0.00 N ATOM 1708 CA SER A 105 -8.645 6.786 16.080 1.00 0.00 C ATOM 1709 C SER A 105 -7.229 7.018 16.604 1.00 0.00 C ATOM 1710 O SER A 105 -7.016 7.829 17.506 1.00 0.00 O ATOM 1711 CB SER A 105 -9.660 7.480 16.991 1.00 0.00 C ATOM 1712 OG SER A 105 -9.555 8.889 16.892 1.00 0.00 O ATOM 0 H SER A 105 -9.262 5.059 15.064 1.00 0.00 H new ATOM 0 HA SER A 105 -8.715 7.212 15.079 1.00 0.00 H new ATOM 0 HB2 SER A 105 -10.669 7.168 16.721 1.00 0.00 H new ATOM 0 HB3 SER A 105 -9.497 7.172 18.024 1.00 0.00 H new ATOM 0 HG SER A 105 -8.648 9.168 17.139 1.00 0.00 H new ATOM 1718 N SER A 106 -6.262 6.302 16.033 1.00 0.00 N ATOM 1719 CA SER A 106 -4.870 6.434 16.451 1.00 0.00 C ATOM 1720 C SER A 106 -3.965 6.809 15.277 1.00 0.00 C ATOM 1721 O SER A 106 -3.425 5.937 14.597 1.00 0.00 O ATOM 1722 CB SER A 106 -4.383 5.130 17.086 1.00 0.00 C ATOM 1723 OG SER A 106 -3.295 5.364 17.963 1.00 0.00 O ATOM 0 H SER A 106 -6.417 5.628 15.283 1.00 0.00 H new ATOM 0 HA SER A 106 -4.820 7.237 17.187 1.00 0.00 H new ATOM 0 HB2 SER A 106 -5.201 4.661 17.633 1.00 0.00 H new ATOM 0 HB3 SER A 106 -4.081 4.432 16.305 1.00 0.00 H new ATOM 0 HG SER A 106 -3.004 4.515 18.357 1.00 0.00 H new ATOM 1729 N VAL A 107 -3.803 8.113 15.056 1.00 0.00 N ATOM 1730 CA VAL A 107 -2.956 8.624 13.978 1.00 0.00 C ATOM 1731 C VAL A 107 -2.829 10.141 14.076 1.00 0.00 C ATOM 1732 O VAL A 107 -3.750 10.823 14.526 1.00 0.00 O ATOM 1733 CB VAL A 107 -3.488 8.222 12.580 1.00 0.00 C ATOM 1734 CG1 VAL A 107 -3.427 9.385 11.598 1.00 0.00 C ATOM 1735 CG2 VAL A 107 -2.702 7.038 12.039 1.00 0.00 C ATOM 0 H VAL A 107 -4.251 8.840 15.614 1.00 0.00 H new ATOM 0 HA VAL A 107 -1.972 8.172 14.097 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.534 7.938 12.694 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.809 9.063 10.629 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -4.034 10.209 11.972 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.394 9.716 11.489 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.086 6.765 11.056 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.649 7.308 11.956 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -2.807 6.191 12.717 1.00 0.00 H new ATOM 1745 N THR A 108 -1.683 10.662 13.651 1.00 0.00 N ATOM 1746 CA THR A 108 -1.429 12.096 13.705 1.00 0.00 C ATOM 1747 C THR A 108 -1.856 12.803 12.421 1.00 0.00 C ATOM 1748 O THR A 108 -1.888 12.204 11.346 1.00 0.00 O ATOM 1749 CB THR A 108 0.061 12.385 13.957 1.00 0.00 C ATOM 1750 OG1 THR A 108 0.728 11.190 14.380 1.00 0.00 O ATOM 1751 CG2 THR A 108 0.230 13.466 15.013 1.00 0.00 C ATOM 0 H THR A 108 -0.915 10.112 13.265 1.00 0.00 H new ATOM 0 HA THR A 108 -2.025 12.482 14.532 1.00 0.00 H new ATOM 0 HB THR A 108 0.503 12.736 13.025 1.00 0.00 H new ATOM 0 HG1 THR A 108 1.676 11.382 14.537 1.00 0.00 H new ATOM 0 HG21 THR A 108 1.291 13.654 15.175 1.00 0.00 H new ATOM 0 HG22 THR A 108 -0.253 14.383 14.676 1.00 0.00 H new ATOM 0 HG23 THR A 108 -0.227 13.137 15.947 1.00 0.00 H new ATOM 1759 N ALA A 109 -2.183 14.086 12.552 1.00 0.00 N ATOM 1760 CA ALA A 109 -2.598 14.906 11.419 1.00 0.00 C ATOM 1761 C ALA A 109 -1.440 15.113 10.449 1.00 0.00 C ATOM 1762 O ALA A 109 -1.628 15.575 9.325 1.00 0.00 O ATOM 1763 CB ALA A 109 -3.131 16.246 11.904 1.00 0.00 C ATOM 0 H ALA A 109 -2.168 14.584 13.442 1.00 0.00 H new ATOM 0 HA ALA A 109 -3.396 14.383 10.891 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -3.437 16.847 11.048 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -3.988 16.082 12.557 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -2.350 16.770 12.455 1.00 0.00 H new ATOM 1769 N GLU A 110 -0.243 14.769 10.903 1.00 0.00 N ATOM 1770 CA GLU A 110 0.962 14.923 10.097 1.00 0.00 C ATOM 1771 C GLU A 110 1.111 13.757 9.127 1.00 0.00 C ATOM 1772 O GLU A 110 1.870 13.828 8.162 1.00 0.00 O ATOM 1773 CB GLU A 110 2.198 15.018 10.995 1.00 0.00 C ATOM 1774 CG GLU A 110 2.321 16.345 11.724 1.00 0.00 C ATOM 1775 CD GLU A 110 3.499 16.378 12.678 1.00 0.00 C ATOM 1776 OE1 GLU A 110 4.621 16.690 12.225 1.00 0.00 O ATOM 1777 OE2 GLU A 110 3.300 16.093 13.878 1.00 0.00 O ATOM 0 H GLU A 110 -0.079 14.379 11.831 1.00 0.00 H new ATOM 0 HA GLU A 110 0.872 15.845 9.523 1.00 0.00 H new ATOM 0 HB2 GLU A 110 2.167 14.212 11.728 1.00 0.00 H new ATOM 0 HB3 GLU A 110 3.090 14.862 10.388 1.00 0.00 H new ATOM 0 HG2 GLU A 110 2.426 17.148 10.994 1.00 0.00 H new ATOM 0 HG3 GLU A 110 1.403 16.537 12.279 1.00 0.00 H new ATOM 1784 N GLU A 111 0.386 12.681 9.399 1.00 0.00 N ATOM 1785 CA GLU A 111 0.448 11.493 8.567 1.00 0.00 C ATOM 1786 C GLU A 111 -0.528 11.577 7.397 1.00 0.00 C ATOM 1787 O GLU A 111 -0.156 11.329 6.252 1.00 0.00 O ATOM 1788 CB GLU A 111 0.155 10.247 9.406 1.00 0.00 C ATOM 1789 CG GLU A 111 -0.273 9.048 8.583 1.00 0.00 C ATOM 1790 CD GLU A 111 -0.029 7.736 9.299 1.00 0.00 C ATOM 1791 OE1 GLU A 111 1.091 7.542 9.815 1.00 0.00 O ATOM 1792 OE2 GLU A 111 -0.958 6.903 9.346 1.00 0.00 O ATOM 0 H GLU A 111 -0.252 12.609 10.191 1.00 0.00 H new ATOM 0 HA GLU A 111 1.456 11.425 8.158 1.00 0.00 H new ATOM 0 HB2 GLU A 111 1.046 9.986 9.977 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -0.628 10.481 10.127 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -1.333 9.136 8.343 1.00 0.00 H new ATOM 0 HG3 GLU A 111 0.269 9.048 7.637 1.00 0.00 H new ATOM 1799 N ALA A 112 -1.776 11.933 7.682 1.00 0.00 N ATOM 1800 CA ALA A 112 -2.797 12.009 6.645 1.00 0.00 C ATOM 1801 C ALA A 112 -2.853 13.368 5.947 1.00 0.00 C ATOM 1802 O ALA A 112 -3.097 13.438 4.742 1.00 0.00 O ATOM 1803 CB ALA A 112 -4.158 11.668 7.232 1.00 0.00 C ATOM 0 H ALA A 112 -2.103 12.172 8.618 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.522 11.280 5.882 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -4.916 11.727 6.451 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -4.135 10.658 7.640 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -4.399 12.375 8.026 1.00 0.00 H new ATOM 1809 N LYS A 113 -2.628 14.446 6.693 1.00 0.00 N ATOM 1810 CA LYS A 113 -2.704 15.789 6.119 1.00 0.00 C ATOM 1811 C LYS A 113 -1.385 16.243 5.499 1.00 0.00 C ATOM 1812 O LYS A 113 -1.365 16.746 4.376 1.00 0.00 O ATOM 1813 CB LYS A 113 -3.146 16.795 7.183 1.00 0.00 C ATOM 1814 CG LYS A 113 -4.158 17.809 6.677 1.00 0.00 C ATOM 1815 CD LYS A 113 -4.600 18.757 7.780 1.00 0.00 C ATOM 1816 CE LYS A 113 -5.599 19.782 7.267 1.00 0.00 C ATOM 1817 NZ LYS A 113 -6.051 20.706 8.343 1.00 0.00 N ATOM 0 H LYS A 113 -2.394 14.419 7.685 1.00 0.00 H new ATOM 0 HA LYS A 113 -3.441 15.746 5.317 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -3.576 16.254 8.026 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -2.270 17.324 7.557 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -3.722 18.381 5.858 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -5.027 17.287 6.275 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -5.048 18.186 8.594 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -3.730 19.269 8.191 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -5.145 20.358 6.461 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -6.462 19.267 6.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -6.731 21.389 7.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -6.507 20.159 9.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -5.231 21.217 8.729 1.00 0.00 H new ATOM 1831 N LYS A 114 -0.287 16.068 6.225 1.00 0.00 N ATOM 1832 CA LYS A 114 1.020 16.496 5.735 1.00 0.00 C ATOM 1833 C LYS A 114 1.427 15.741 4.472 1.00 0.00 C ATOM 1834 O LYS A 114 2.095 16.295 3.599 1.00 0.00 O ATOM 1835 CB LYS A 114 2.078 16.309 6.821 1.00 0.00 C ATOM 1836 CG LYS A 114 3.047 17.474 6.934 1.00 0.00 C ATOM 1837 CD LYS A 114 4.247 17.293 6.019 1.00 0.00 C ATOM 1838 CE LYS A 114 4.979 18.606 5.797 1.00 0.00 C ATOM 1839 NZ LYS A 114 6.325 18.397 5.196 1.00 0.00 N ATOM 0 H LYS A 114 -0.274 15.636 7.149 1.00 0.00 H new ATOM 0 HA LYS A 114 0.946 17.553 5.480 1.00 0.00 H new ATOM 0 HB2 LYS A 114 1.581 16.167 7.780 1.00 0.00 H new ATOM 0 HB3 LYS A 114 2.640 15.398 6.615 1.00 0.00 H new ATOM 0 HG2 LYS A 114 2.533 18.402 6.682 1.00 0.00 H new ATOM 0 HG3 LYS A 114 3.386 17.568 7.966 1.00 0.00 H new ATOM 0 HD2 LYS A 114 4.930 16.563 6.453 1.00 0.00 H new ATOM 0 HD3 LYS A 114 3.918 16.892 5.060 1.00 0.00 H new ATOM 0 HE2 LYS A 114 4.386 19.247 5.144 1.00 0.00 H new ATOM 0 HE3 LYS A 114 5.083 19.129 6.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 6.791 19.317 5.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 6.901 17.807 5.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 6.225 17.921 4.277 1.00 0.00 H new ATOM 1853 N PHE A 115 1.025 14.479 4.377 1.00 0.00 N ATOM 1854 CA PHE A 115 1.361 13.658 3.218 1.00 0.00 C ATOM 1855 C PHE A 115 0.595 14.102 1.975 1.00 0.00 C ATOM 1856 O PHE A 115 1.176 14.257 0.901 1.00 0.00 O ATOM 1857 CB PHE A 115 1.063 12.188 3.508 1.00 0.00 C ATOM 1858 CG PHE A 115 2.187 11.469 4.198 1.00 0.00 C ATOM 1859 CD1 PHE A 115 2.620 11.868 5.452 1.00 0.00 C ATOM 1860 CD2 PHE A 115 2.805 10.387 3.593 1.00 0.00 C ATOM 1861 CE1 PHE A 115 3.649 11.202 6.089 1.00 0.00 C ATOM 1862 CE2 PHE A 115 3.832 9.716 4.225 1.00 0.00 C ATOM 1863 CZ PHE A 115 4.254 10.123 5.474 1.00 0.00 C ATOM 0 H PHE A 115 0.468 14.002 5.086 1.00 0.00 H new ATOM 0 HA PHE A 115 2.426 13.783 3.023 1.00 0.00 H new ATOM 0 HB2 PHE A 115 0.168 12.123 4.127 1.00 0.00 H new ATOM 0 HB3 PHE A 115 0.840 11.680 2.570 1.00 0.00 H new ATOM 0 HD1 PHE A 115 2.148 12.709 5.937 1.00 0.00 H new ATOM 0 HD2 PHE A 115 2.479 10.065 2.615 1.00 0.00 H new ATOM 0 HE1 PHE A 115 3.980 11.524 7.065 1.00 0.00 H new ATOM 0 HE2 PHE A 115 4.305 8.873 3.743 1.00 0.00 H new ATOM 0 HZ PHE A 115 5.057 9.598 5.971 1.00 0.00 H new ATOM 1873 N LEU A 116 -0.711 14.306 2.126 1.00 0.00 N ATOM 1874 CA LEU A 116 -1.550 14.724 1.007 1.00 0.00 C ATOM 1875 C LEU A 116 -1.494 16.235 0.807 1.00 0.00 C ATOM 1876 O LEU A 116 -2.380 16.820 0.182 1.00 0.00 O ATOM 1877 CB LEU A 116 -2.997 14.280 1.233 1.00 0.00 C ATOM 1878 CG LEU A 116 -3.304 12.838 0.824 1.00 0.00 C ATOM 1879 CD1 LEU A 116 -3.960 12.087 1.971 1.00 0.00 C ATOM 1880 CD2 LEU A 116 -4.193 12.811 -0.411 1.00 0.00 C ATOM 0 H LEU A 116 -1.209 14.189 3.008 1.00 0.00 H new ATOM 0 HA LEU A 116 -1.165 14.247 0.105 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -3.237 14.401 2.289 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -3.656 14.947 0.678 1.00 0.00 H new ATOM 0 HG LEU A 116 -2.364 12.342 0.581 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.171 11.063 1.662 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -3.289 12.076 2.830 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -4.891 12.583 2.245 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -4.401 11.777 -0.687 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -5.130 13.325 -0.196 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -3.686 13.312 -1.236 1.00 0.00 H new ATOM 1892 N ALA A 117 -0.452 16.865 1.340 1.00 0.00 N ATOM 1893 CA ALA A 117 -0.285 18.307 1.210 1.00 0.00 C ATOM 1894 C ALA A 117 0.128 18.682 -0.213 1.00 0.00 C ATOM 1895 O ALA A 117 0.777 17.895 -0.903 1.00 0.00 O ATOM 1896 CB ALA A 117 0.744 18.811 2.211 1.00 0.00 C ATOM 0 H ALA A 117 0.288 16.400 1.865 1.00 0.00 H new ATOM 0 HA ALA A 117 -1.243 18.782 1.422 1.00 0.00 H new ATOM 0 HB1 ALA A 117 0.859 19.890 2.103 1.00 0.00 H new ATOM 0 HB2 ALA A 117 0.410 18.581 3.223 1.00 0.00 H new ATOM 0 HB3 ALA A 117 1.701 18.324 2.025 1.00 0.00 H new