USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 804 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 9 ASN : amide:sc= -1.04 X(o=-1,f=-1.3!) USER MOD Single : A 17 ASN : amide:sc= -0.0296 X(o=-0.03,f=-0.31) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -26:sc= 0.601 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl 145:sc= -4.11! (180deg=-4.78!) USER MOD Single : A 37 THR OG1 : rot -170:sc= -0.181 USER MOD Single : A 38 ASN : amide:sc= -1.52 K(o=-1.5,f=-7.4!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -163:sc= -0.144 USER MOD Single : A 48 CYS SG : rot 20:sc= 0.875 USER MOD Single : A 53 TYR OH : rot 180:sc=-0.00908 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -126:sc= 0.236 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.0515 K(o=-0.051,f=-0.73) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 ASN : amide:sc= 1.16 K(o=1.2,f=-0.78) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 HIS :FLIP no HE2:sc= -2.16 F(o=-2.8,f=-2.2) USER MOD Single : A 118 GLN : amide:sc= -0.441 X(o=-0.44,f=-0.78) USER MOD Single : A 119 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 122 CYS SG : rot 64:sc= -2.29 USER MOD Single : A 124 HIS : no HD1:sc= -1.42 K(o=-1.4,f=-2.6!) USER MOD Single : A 125 MET CE :methyl -161:sc= -0.846 (180deg=-1.45) USER MOD Single : A 128 GLN : amide:sc= -0.154 X(o=-0.15,f=0) USER MOD ----------------------------------------------------------------- ATOM 77 N ASN A 9 -22.059 -11.190 -11.933 1.00 0.00 N ATOM 78 CA ASN A 9 -21.551 -10.700 -10.663 1.00 0.00 C ATOM 79 C ASN A 9 -20.183 -10.052 -10.881 1.00 0.00 C ATOM 80 O ASN A 9 -19.413 -10.492 -11.734 1.00 0.00 O ATOM 81 CB ASN A 9 -21.379 -11.843 -9.661 1.00 0.00 C ATOM 82 CG ASN A 9 -20.670 -13.035 -10.306 1.00 0.00 C ATOM 83 OD1 ASN A 9 -19.845 -12.894 -11.194 1.00 0.00 O ATOM 84 ND2 ASN A 9 -21.037 -14.215 -9.813 1.00 0.00 N ATOM 0 HA ASN A 9 -22.268 -9.980 -10.269 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -20.805 -11.495 -8.802 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -22.355 -12.154 -9.288 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -20.622 -15.072 -10.179 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -21.734 -14.263 -9.069 1.00 0.00 H new ATOM 91 N PHE A 10 -19.921 -9.017 -10.096 1.00 0.00 N ATOM 92 CA PHE A 10 -18.659 -8.305 -10.193 1.00 0.00 C ATOM 93 C PHE A 10 -18.346 -7.564 -8.891 1.00 0.00 C ATOM 94 O PHE A 10 -19.133 -6.733 -8.441 1.00 0.00 O ATOM 95 CB PHE A 10 -18.806 -7.284 -11.323 1.00 0.00 C ATOM 96 CG PHE A 10 -19.499 -5.986 -10.903 1.00 0.00 C ATOM 97 CD1 PHE A 10 -18.775 -4.979 -10.346 1.00 0.00 C ATOM 98 CD2 PHE A 10 -20.839 -5.840 -11.088 1.00 0.00 C ATOM 99 CE1 PHE A 10 -19.418 -3.774 -9.956 1.00 0.00 C ATOM 100 CE2 PHE A 10 -21.481 -4.635 -10.698 1.00 0.00 C ATOM 101 CZ PHE A 10 -20.758 -3.628 -10.140 1.00 0.00 C ATOM 0 H PHE A 10 -20.562 -8.655 -9.390 1.00 0.00 H new ATOM 0 HA PHE A 10 -17.849 -9.009 -10.384 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -17.817 -7.046 -11.714 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -19.370 -7.738 -12.138 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -17.711 -5.095 -10.200 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -21.414 -6.640 -11.531 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -18.843 -2.974 -9.513 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -22.545 -4.518 -10.845 1.00 0.00 H new ATOM 0 HZ PHE A 10 -21.247 -2.712 -9.843 1.00 0.00 H new ATOM 111 N LEU A 11 -17.195 -7.892 -8.323 1.00 0.00 N ATOM 112 CA LEU A 11 -16.768 -7.269 -7.082 1.00 0.00 C ATOM 113 C LEU A 11 -15.429 -6.563 -7.305 1.00 0.00 C ATOM 114 O LEU A 11 -14.388 -7.212 -7.391 1.00 0.00 O ATOM 115 CB LEU A 11 -16.741 -8.296 -5.948 1.00 0.00 C ATOM 116 CG LEU A 11 -15.986 -7.879 -4.684 1.00 0.00 C ATOM 117 CD1 LEU A 11 -16.911 -7.149 -3.709 1.00 0.00 C ATOM 118 CD2 LEU A 11 -15.302 -9.083 -4.033 1.00 0.00 C ATOM 0 H LEU A 11 -16.545 -8.582 -8.700 1.00 0.00 H new ATOM 0 HA LEU A 11 -17.483 -6.507 -6.773 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -17.769 -8.531 -5.672 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -16.295 -9.215 -6.327 1.00 0.00 H new ATOM 0 HG LEU A 11 -15.202 -7.178 -4.969 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -16.350 -6.864 -2.819 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -17.312 -6.255 -4.187 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -17.732 -7.807 -3.424 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -14.772 -8.760 -3.137 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -16.053 -9.826 -3.763 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -14.593 -9.522 -4.735 1.00 0.00 H new ATOM 130 N GLU A 12 -15.499 -5.243 -7.392 1.00 0.00 N ATOM 131 CA GLU A 12 -14.306 -4.442 -7.603 1.00 0.00 C ATOM 132 C GLU A 12 -14.271 -3.272 -6.618 1.00 0.00 C ATOM 133 O GLU A 12 -15.306 -2.867 -6.093 1.00 0.00 O ATOM 134 CB GLU A 12 -14.227 -3.945 -9.048 1.00 0.00 C ATOM 135 CG GLU A 12 -14.035 -5.112 -10.019 1.00 0.00 C ATOM 136 CD GLU A 12 -12.656 -5.055 -10.679 1.00 0.00 C ATOM 137 OE1 GLU A 12 -12.351 -3.995 -11.266 1.00 0.00 O ATOM 138 OE2 GLU A 12 -11.937 -6.073 -10.580 1.00 0.00 O ATOM 0 H GLU A 12 -16.364 -4.708 -7.320 1.00 0.00 H new ATOM 0 HA GLU A 12 -13.434 -5.070 -7.422 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -15.139 -3.403 -9.300 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -13.400 -3.242 -9.150 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -14.148 -6.056 -9.486 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -14.810 -5.084 -10.785 1.00 0.00 H new ATOM 145 N ILE A 13 -13.068 -2.761 -6.398 1.00 0.00 N ATOM 146 CA ILE A 13 -12.884 -1.645 -5.486 1.00 0.00 C ATOM 147 C ILE A 13 -12.074 -0.550 -6.183 1.00 0.00 C ATOM 148 O ILE A 13 -11.277 -0.836 -7.075 1.00 0.00 O ATOM 149 CB ILE A 13 -12.267 -2.124 -4.171 1.00 0.00 C ATOM 150 CG1 ILE A 13 -13.261 -2.973 -3.375 1.00 0.00 C ATOM 151 CG2 ILE A 13 -11.736 -0.946 -3.352 1.00 0.00 C ATOM 152 CD1 ILE A 13 -12.607 -4.265 -2.882 1.00 0.00 C ATOM 0 H ILE A 13 -12.211 -3.100 -6.836 1.00 0.00 H new ATOM 0 HA ILE A 13 -13.846 -1.209 -5.219 1.00 0.00 H new ATOM 0 HB ILE A 13 -11.415 -2.762 -4.407 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -13.633 -2.402 -2.524 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -14.122 -3.212 -3.999 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -11.303 -1.315 -2.422 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -10.972 -0.420 -3.924 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -12.554 -0.263 -3.125 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -13.335 -4.850 -2.319 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -12.258 -4.845 -3.736 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -11.761 -4.022 -2.238 1.00 0.00 H new ATOM 164 N ASP A 14 -12.306 0.680 -5.749 1.00 0.00 N ATOM 165 CA ASP A 14 -11.607 1.819 -6.320 1.00 0.00 C ATOM 166 C ASP A 14 -10.950 2.624 -5.197 1.00 0.00 C ATOM 167 O ASP A 14 -11.542 2.812 -4.135 1.00 0.00 O ATOM 168 CB ASP A 14 -12.575 2.744 -7.061 1.00 0.00 C ATOM 169 CG ASP A 14 -13.677 2.031 -7.847 1.00 0.00 C ATOM 170 OD1 ASP A 14 -13.341 1.026 -8.510 1.00 0.00 O ATOM 171 OD2 ASP A 14 -14.830 2.507 -7.767 1.00 0.00 O ATOM 0 H ASP A 14 -12.968 0.913 -5.009 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.862 1.441 -7.020 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -13.041 3.413 -6.337 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -12.004 3.367 -7.749 1.00 0.00 H new ATOM 176 N ILE A 15 -9.735 3.077 -5.470 1.00 0.00 N ATOM 177 CA ILE A 15 -8.991 3.857 -4.496 1.00 0.00 C ATOM 178 C ILE A 15 -8.445 5.118 -5.169 1.00 0.00 C ATOM 179 O ILE A 15 -7.454 5.060 -5.894 1.00 0.00 O ATOM 180 CB ILE A 15 -7.913 2.999 -3.833 1.00 0.00 C ATOM 181 CG1 ILE A 15 -8.521 1.743 -3.205 1.00 0.00 C ATOM 182 CG2 ILE A 15 -7.109 3.815 -2.819 1.00 0.00 C ATOM 183 CD1 ILE A 15 -7.669 1.248 -2.034 1.00 0.00 C ATOM 0 H ILE A 15 -9.247 2.919 -6.352 1.00 0.00 H new ATOM 0 HA ILE A 15 -9.647 4.184 -3.689 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.217 2.669 -4.604 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.532 1.958 -2.859 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -8.602 0.959 -3.957 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.349 3.181 -2.362 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.627 4.651 -3.325 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -7.777 4.195 -2.046 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.123 0.355 -1.606 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -6.666 1.011 -2.389 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.610 2.026 -1.273 1.00 0.00 H new ATOM 195 N PHE A 16 -9.117 6.229 -4.904 1.00 0.00 N ATOM 196 CA PHE A 16 -8.712 7.503 -5.475 1.00 0.00 C ATOM 197 C PHE A 16 -9.106 8.664 -4.560 1.00 0.00 C ATOM 198 O PHE A 16 -9.604 8.448 -3.456 1.00 0.00 O ATOM 199 CB PHE A 16 -9.446 7.649 -6.810 1.00 0.00 C ATOM 200 CG PHE A 16 -10.968 7.734 -6.677 1.00 0.00 C ATOM 201 CD1 PHE A 16 -11.562 8.933 -6.431 1.00 0.00 C ATOM 202 CD2 PHE A 16 -11.726 6.613 -6.804 1.00 0.00 C ATOM 203 CE1 PHE A 16 -12.975 9.012 -6.308 1.00 0.00 C ATOM 204 CE2 PHE A 16 -13.138 6.692 -6.681 1.00 0.00 C ATOM 205 CZ PHE A 16 -13.733 7.890 -6.435 1.00 0.00 C ATOM 0 H PHE A 16 -9.939 6.274 -4.302 1.00 0.00 H new ATOM 0 HA PHE A 16 -7.630 7.527 -5.601 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -9.085 8.545 -7.315 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -9.194 6.801 -7.446 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -10.960 9.824 -6.329 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -11.254 5.661 -6.999 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -13.448 9.963 -6.114 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -13.740 5.801 -6.783 1.00 0.00 H new ATOM 0 HZ PHE A 16 -14.807 7.950 -6.341 1.00 0.00 H new ATOM 215 N ASN A 17 -8.869 9.871 -5.053 1.00 0.00 N ATOM 216 CA ASN A 17 -9.193 11.066 -4.294 1.00 0.00 C ATOM 217 C ASN A 17 -8.296 11.138 -3.056 1.00 0.00 C ATOM 218 O ASN A 17 -8.782 11.065 -1.929 1.00 0.00 O ATOM 219 CB ASN A 17 -10.648 11.042 -3.823 1.00 0.00 C ATOM 220 CG ASN A 17 -11.486 12.079 -4.574 1.00 0.00 C ATOM 221 OD1 ASN A 17 -11.317 12.309 -5.761 1.00 0.00 O ATOM 222 ND2 ASN A 17 -12.395 12.690 -3.820 1.00 0.00 N ATOM 0 H ASN A 17 -8.456 10.046 -5.969 1.00 0.00 H new ATOM 0 HA ASN A 17 -9.038 11.929 -4.942 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -11.068 10.048 -3.979 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -10.690 11.242 -2.752 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -13.004 13.399 -4.229 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -12.484 12.450 -2.833 1.00 0.00 H new ATOM 229 N PRO A 18 -6.969 11.284 -3.316 1.00 0.00 N ATOM 230 CA PRO A 18 -6.001 11.366 -2.236 1.00 0.00 C ATOM 231 C PRO A 18 -6.053 12.735 -1.555 1.00 0.00 C ATOM 232 O PRO A 18 -6.301 13.748 -2.208 1.00 0.00 O ATOM 233 CB PRO A 18 -4.658 11.079 -2.889 1.00 0.00 C ATOM 234 CG PRO A 18 -4.862 11.306 -4.378 1.00 0.00 C ATOM 235 CD PRO A 18 -6.358 11.374 -4.639 1.00 0.00 C ATOM 0 HA PRO A 18 -6.202 10.653 -1.437 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -3.884 11.738 -2.496 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -4.337 10.056 -2.690 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.377 12.230 -4.693 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.411 10.497 -4.953 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.631 12.303 -5.139 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.685 10.558 -5.283 1.00 0.00 H new ATOM 243 N GLN A 19 -5.816 12.722 -0.251 1.00 0.00 N ATOM 244 CA GLN A 19 -5.834 13.950 0.525 1.00 0.00 C ATOM 245 C GLN A 19 -4.840 13.859 1.684 1.00 0.00 C ATOM 246 O GLN A 19 -4.982 13.010 2.564 1.00 0.00 O ATOM 247 CB GLN A 19 -7.244 14.257 1.034 1.00 0.00 C ATOM 248 CG GLN A 19 -7.575 15.741 0.870 1.00 0.00 C ATOM 249 CD GLN A 19 -6.884 16.579 1.948 1.00 0.00 C ATOM 250 OE1 GLN A 19 -5.846 17.183 1.731 1.00 0.00 O ATOM 251 NE2 GLN A 19 -7.516 16.583 3.118 1.00 0.00 N ATOM 0 H GLN A 19 -5.611 11.880 0.287 1.00 0.00 H new ATOM 0 HA GLN A 19 -5.531 14.772 -0.124 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -7.971 13.656 0.487 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -7.324 13.977 2.084 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -7.261 16.081 -0.117 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -8.654 15.885 0.928 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -8.381 16.055 3.232 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -7.135 17.114 3.901 1.00 0.00 H new ATOM 260 N THR A 20 -3.855 14.745 1.649 1.00 0.00 N ATOM 261 CA THR A 20 -2.838 14.775 2.686 1.00 0.00 C ATOM 262 C THR A 20 -3.378 15.458 3.944 1.00 0.00 C ATOM 263 O THR A 20 -4.051 16.484 3.857 1.00 0.00 O ATOM 264 CB THR A 20 -1.596 15.459 2.110 1.00 0.00 C ATOM 265 OG1 THR A 20 -1.017 14.470 1.262 1.00 0.00 O ATOM 266 CG2 THR A 20 -0.523 15.714 3.170 1.00 0.00 C ATOM 0 H THR A 20 -3.740 15.447 0.918 1.00 0.00 H new ATOM 0 HA THR A 20 -2.559 13.768 2.995 1.00 0.00 H new ATOM 0 HB THR A 20 -1.883 16.404 1.649 1.00 0.00 H new ATOM 0 HG1 THR A 20 -0.206 14.830 0.846 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.336 16.201 2.708 1.00 0.00 H new ATOM 0 HG22 THR A 20 -0.928 16.358 3.951 1.00 0.00 H new ATOM 0 HG23 THR A 20 -0.211 14.766 3.607 1.00 0.00 H new ATOM 412 N THR A 30 -4.891 10.020 2.694 1.00 0.00 N ATOM 413 CA THR A 30 -5.953 9.028 2.691 1.00 0.00 C ATOM 414 C THR A 30 -6.432 8.764 1.261 1.00 0.00 C ATOM 415 O THR A 30 -5.896 9.330 0.309 1.00 0.00 O ATOM 416 CB THR A 30 -7.063 9.520 3.622 1.00 0.00 C ATOM 417 OG1 THR A 30 -7.281 10.869 3.219 1.00 0.00 O ATOM 418 CG2 THR A 30 -6.600 9.635 5.075 1.00 0.00 C ATOM 0 HA THR A 30 -5.598 8.068 3.065 1.00 0.00 H new ATOM 0 HB THR A 30 -7.913 8.840 3.565 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.464 11.225 2.812 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.426 9.988 5.693 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.272 8.658 5.431 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.772 10.341 5.138 1.00 0.00 H new ATOM 426 N TYR A 31 -7.435 7.905 1.156 1.00 0.00 N ATOM 427 CA TYR A 31 -7.991 7.559 -0.141 1.00 0.00 C ATOM 428 C TYR A 31 -9.471 7.189 -0.021 1.00 0.00 C ATOM 429 O TYR A 31 -9.910 6.700 1.018 1.00 0.00 O ATOM 430 CB TYR A 31 -7.209 6.335 -0.622 1.00 0.00 C ATOM 431 CG TYR A 31 -5.690 6.489 -0.523 1.00 0.00 C ATOM 432 CD1 TYR A 31 -5.003 7.194 -1.489 1.00 0.00 C ATOM 433 CD2 TYR A 31 -5.008 5.921 0.534 1.00 0.00 C ATOM 434 CE1 TYR A 31 -3.573 7.338 -1.396 1.00 0.00 C ATOM 435 CE2 TYR A 31 -3.578 6.066 0.628 1.00 0.00 C ATOM 436 CZ TYR A 31 -2.931 6.767 -0.341 1.00 0.00 C ATOM 437 OH TYR A 31 -1.581 6.903 -0.253 1.00 0.00 O ATOM 0 H TYR A 31 -7.877 7.438 1.948 1.00 0.00 H new ATOM 0 HA TYR A 31 -7.914 8.401 -0.829 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -7.515 5.468 -0.037 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -7.476 6.130 -1.659 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -5.538 7.638 -2.316 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -5.546 5.368 1.290 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -3.023 7.887 -2.146 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -3.032 5.628 1.450 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.258 6.446 0.551 1.00 0.00 H new ATOM 447 N GLU A 32 -10.199 7.438 -1.100 1.00 0.00 N ATOM 448 CA GLU A 32 -11.620 7.137 -1.129 1.00 0.00 C ATOM 449 C GLU A 32 -11.852 5.721 -1.661 1.00 0.00 C ATOM 450 O GLU A 32 -11.843 5.499 -2.871 1.00 0.00 O ATOM 451 CB GLU A 32 -12.382 8.168 -1.965 1.00 0.00 C ATOM 452 CG GLU A 32 -12.967 9.269 -1.078 1.00 0.00 C ATOM 453 CD GLU A 32 -14.495 9.269 -1.140 1.00 0.00 C ATOM 454 OE1 GLU A 32 -15.017 9.332 -2.274 1.00 0.00 O ATOM 455 OE2 GLU A 32 -15.108 9.205 -0.052 1.00 0.00 O ATOM 0 H GLU A 32 -9.831 7.845 -1.960 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.003 7.189 -0.110 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.713 8.609 -2.704 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.184 7.675 -2.515 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.641 9.123 -0.048 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.587 10.239 -1.398 1.00 0.00 H new ATOM 462 N VAL A 33 -12.056 4.800 -0.730 1.00 0.00 N ATOM 463 CA VAL A 33 -12.290 3.412 -1.090 1.00 0.00 C ATOM 464 C VAL A 33 -13.736 3.249 -1.563 1.00 0.00 C ATOM 465 O VAL A 33 -14.646 3.104 -0.749 1.00 0.00 O ATOM 466 CB VAL A 33 -11.940 2.500 0.088 1.00 0.00 C ATOM 467 CG1 VAL A 33 -12.084 1.026 -0.298 1.00 0.00 C ATOM 468 CG2 VAL A 33 -10.532 2.795 0.610 1.00 0.00 C ATOM 0 H VAL A 33 -12.064 4.988 0.272 1.00 0.00 H new ATOM 0 HA VAL A 33 -11.643 3.117 -1.916 1.00 0.00 H new ATOM 0 HB VAL A 33 -12.646 2.706 0.893 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.829 0.399 0.557 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -13.112 0.828 -0.600 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -11.413 0.800 -1.126 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.308 2.133 1.447 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.807 2.630 -0.187 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.477 3.832 0.942 1.00 0.00 H new ATOM 478 N ARG A 34 -13.902 3.279 -2.877 1.00 0.00 N ATOM 479 CA ARG A 34 -15.222 3.136 -3.468 1.00 0.00 C ATOM 480 C ARG A 34 -15.383 1.742 -4.077 1.00 0.00 C ATOM 481 O ARG A 34 -14.789 1.440 -5.111 1.00 0.00 O ATOM 482 CB ARG A 34 -15.456 4.189 -4.552 1.00 0.00 C ATOM 483 CG ARG A 34 -16.888 4.727 -4.494 1.00 0.00 C ATOM 484 CD ARG A 34 -17.163 5.681 -5.658 1.00 0.00 C ATOM 485 NE ARG A 34 -18.622 5.815 -5.869 1.00 0.00 N ATOM 486 CZ ARG A 34 -19.423 6.579 -5.114 1.00 0.00 C ATOM 487 NH1 ARG A 34 -18.911 7.283 -4.095 1.00 0.00 N ATOM 488 NH2 ARG A 34 -20.735 6.640 -5.378 1.00 0.00 N ATOM 0 H ARG A 34 -13.144 3.400 -3.549 1.00 0.00 H new ATOM 0 HA ARG A 34 -15.957 3.277 -2.676 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -14.750 5.010 -4.425 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -15.267 3.754 -5.533 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -17.594 3.897 -4.525 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -17.047 5.246 -3.549 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -16.726 6.658 -5.449 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -16.689 5.307 -6.565 1.00 0.00 H new ATOM 0 HE ARG A 34 -19.044 5.293 -6.637 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -17.912 7.237 -3.895 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -19.520 7.865 -3.520 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -21.125 6.105 -6.154 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -21.344 7.222 -4.803 1.00 0.00 H new ATOM 502 N MET A 35 -16.189 0.929 -3.411 1.00 0.00 N ATOM 503 CA MET A 35 -16.436 -0.426 -3.874 1.00 0.00 C ATOM 504 C MET A 35 -17.819 -0.542 -4.517 1.00 0.00 C ATOM 505 O MET A 35 -18.718 0.240 -4.211 1.00 0.00 O ATOM 506 CB MET A 35 -16.338 -1.395 -2.693 1.00 0.00 C ATOM 507 CG MET A 35 -16.667 -2.824 -3.129 1.00 0.00 C ATOM 508 SD MET A 35 -18.427 -3.104 -3.025 1.00 0.00 S ATOM 509 CE MET A 35 -18.496 -4.099 -1.544 1.00 0.00 C ATOM 0 H MET A 35 -16.680 1.183 -2.554 1.00 0.00 H new ATOM 0 HA MET A 35 -15.686 -0.676 -4.624 1.00 0.00 H new ATOM 0 HB2 MET A 35 -15.333 -1.361 -2.273 1.00 0.00 H new ATOM 0 HB3 MET A 35 -17.024 -1.084 -1.905 1.00 0.00 H new ATOM 0 HG2 MET A 35 -16.324 -2.990 -4.150 1.00 0.00 H new ATOM 0 HG3 MET A 35 -16.139 -3.537 -2.496 1.00 0.00 H new ATOM 0 HE1 MET A 35 -19.405 -3.865 -0.990 1.00 0.00 H new ATOM 0 HE2 MET A 35 -18.498 -5.155 -1.815 1.00 0.00 H new ATOM 0 HE3 MET A 35 -17.627 -3.885 -0.921 1.00 0.00 H new ATOM 519 N ARG A 36 -17.947 -1.525 -5.396 1.00 0.00 N ATOM 520 CA ARG A 36 -19.205 -1.754 -6.085 1.00 0.00 C ATOM 521 C ARG A 36 -19.391 -3.246 -6.371 1.00 0.00 C ATOM 522 O ARG A 36 -18.724 -3.802 -7.243 1.00 0.00 O ATOM 523 CB ARG A 36 -19.261 -0.979 -7.403 1.00 0.00 C ATOM 524 CG ARG A 36 -20.090 0.299 -7.253 1.00 0.00 C ATOM 525 CD ARG A 36 -20.809 0.642 -8.559 1.00 0.00 C ATOM 526 NE ARG A 36 -22.229 0.233 -8.477 1.00 0.00 N ATOM 527 CZ ARG A 36 -23.088 0.292 -9.504 1.00 0.00 C ATOM 528 NH1 ARG A 36 -22.677 0.745 -10.696 1.00 0.00 N ATOM 529 NH2 ARG A 36 -24.359 -0.100 -9.338 1.00 0.00 N ATOM 0 H ARG A 36 -17.200 -2.172 -5.647 1.00 0.00 H new ATOM 0 HA ARG A 36 -20.006 -1.402 -5.435 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -18.250 -0.726 -7.723 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -19.694 -1.608 -8.181 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -20.821 0.171 -6.454 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -19.441 1.126 -6.963 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -20.741 1.713 -8.751 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -20.324 0.137 -9.394 1.00 0.00 H new ATOM 0 HE ARG A 36 -22.575 -0.115 -7.583 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -21.710 1.045 -10.822 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -23.331 0.790 -11.478 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -24.672 -0.443 -8.430 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -25.013 -0.055 -10.120 1.00 0.00 H new ATOM 543 N THR A 37 -20.298 -3.851 -5.619 1.00 0.00 N ATOM 544 CA THR A 37 -20.579 -5.268 -5.781 1.00 0.00 C ATOM 545 C THR A 37 -22.083 -5.498 -5.944 1.00 0.00 C ATOM 546 O THR A 37 -22.879 -4.579 -5.756 1.00 0.00 O ATOM 547 CB THR A 37 -19.977 -6.009 -4.586 1.00 0.00 C ATOM 548 OG1 THR A 37 -20.082 -7.385 -4.941 1.00 0.00 O ATOM 549 CG2 THR A 37 -20.837 -5.883 -3.326 1.00 0.00 C ATOM 0 H THR A 37 -20.848 -3.387 -4.896 1.00 0.00 H new ATOM 0 HA THR A 37 -20.122 -5.661 -6.689 1.00 0.00 H new ATOM 0 HB THR A 37 -18.978 -5.622 -4.385 1.00 0.00 H new ATOM 0 HG1 THR A 37 -19.863 -7.941 -4.164 1.00 0.00 H new ATOM 0 HG21 THR A 37 -20.365 -6.427 -2.508 1.00 0.00 H new ATOM 0 HG22 THR A 37 -20.934 -4.832 -3.055 1.00 0.00 H new ATOM 0 HG23 THR A 37 -21.825 -6.301 -3.517 1.00 0.00 H new ATOM 557 N ASN A 38 -22.427 -6.729 -6.292 1.00 0.00 N ATOM 558 CA ASN A 38 -23.821 -7.092 -6.483 1.00 0.00 C ATOM 559 C ASN A 38 -24.103 -8.411 -5.761 1.00 0.00 C ATOM 560 O ASN A 38 -25.135 -9.040 -5.991 1.00 0.00 O ATOM 561 CB ASN A 38 -24.141 -7.287 -7.966 1.00 0.00 C ATOM 562 CG ASN A 38 -23.534 -8.589 -8.492 1.00 0.00 C ATOM 563 OD1 ASN A 38 -22.365 -8.880 -8.301 1.00 0.00 O ATOM 564 ND2 ASN A 38 -24.391 -9.353 -9.164 1.00 0.00 N ATOM 0 H ASN A 38 -21.764 -7.488 -6.447 1.00 0.00 H new ATOM 0 HA ASN A 38 -24.437 -6.286 -6.084 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -25.221 -7.301 -8.110 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -23.755 -6.444 -8.539 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -24.082 -10.243 -9.556 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -25.357 -9.049 -9.287 1.00 0.00 H new ATOM 571 N LEU A 39 -23.169 -8.791 -4.902 1.00 0.00 N ATOM 572 CA LEU A 39 -23.304 -10.024 -4.145 1.00 0.00 C ATOM 573 C LEU A 39 -24.113 -9.751 -2.876 1.00 0.00 C ATOM 574 O LEU A 39 -24.163 -8.618 -2.398 1.00 0.00 O ATOM 575 CB LEU A 39 -21.931 -10.642 -3.879 1.00 0.00 C ATOM 576 CG LEU A 39 -21.014 -10.791 -5.094 1.00 0.00 C ATOM 577 CD1 LEU A 39 -19.615 -11.247 -4.674 1.00 0.00 C ATOM 578 CD2 LEU A 39 -21.632 -11.724 -6.137 1.00 0.00 C ATOM 0 H LEU A 39 -22.315 -8.266 -4.713 1.00 0.00 H new ATOM 0 HA LEU A 39 -23.855 -10.767 -4.721 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -21.418 -10.032 -3.135 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -22.078 -11.627 -3.437 1.00 0.00 H new ATOM 0 HG LEU A 39 -20.906 -9.812 -5.561 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -18.984 -11.345 -5.557 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -19.180 -10.511 -3.997 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -19.683 -12.210 -4.168 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -20.959 -11.812 -6.990 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -21.790 -12.708 -5.696 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -22.587 -11.317 -6.469 1.00 0.00 H new ATOM 590 N PRO A 40 -24.743 -10.836 -2.352 1.00 0.00 N ATOM 591 CA PRO A 40 -25.548 -10.725 -1.147 1.00 0.00 C ATOM 592 C PRO A 40 -24.661 -10.597 0.094 1.00 0.00 C ATOM 593 O PRO A 40 -24.984 -9.851 1.017 1.00 0.00 O ATOM 594 CB PRO A 40 -26.411 -11.976 -1.133 1.00 0.00 C ATOM 595 CG PRO A 40 -25.735 -12.960 -2.074 1.00 0.00 C ATOM 596 CD PRO A 40 -24.707 -12.193 -2.890 1.00 0.00 C ATOM 0 HA PRO A 40 -26.169 -9.829 -1.137 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -26.486 -12.387 -0.126 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -27.426 -11.754 -1.463 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -25.255 -13.760 -1.510 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -26.470 -13.428 -2.729 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -23.714 -12.632 -2.790 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -24.955 -12.205 -3.951 1.00 0.00 H new ATOM 604 N ILE A 41 -23.562 -11.337 0.076 1.00 0.00 N ATOM 605 CA ILE A 41 -22.627 -11.316 1.188 1.00 0.00 C ATOM 606 C ILE A 41 -22.512 -9.887 1.724 1.00 0.00 C ATOM 607 O ILE A 41 -22.520 -9.673 2.936 1.00 0.00 O ATOM 608 CB ILE A 41 -21.287 -11.927 0.773 1.00 0.00 C ATOM 609 CG1 ILE A 41 -20.453 -10.926 -0.028 1.00 0.00 C ATOM 610 CG2 ILE A 41 -21.495 -13.238 0.013 1.00 0.00 C ATOM 611 CD1 ILE A 41 -19.021 -11.431 -0.216 1.00 0.00 C ATOM 0 H ILE A 41 -23.298 -11.955 -0.691 1.00 0.00 H new ATOM 0 HA ILE A 41 -22.994 -11.936 2.006 1.00 0.00 H new ATOM 0 HB ILE A 41 -20.725 -12.164 1.676 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -20.914 -10.760 -1.001 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -20.439 -9.965 0.486 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -20.527 -13.652 -0.271 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -22.021 -13.949 0.651 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -22.086 -13.049 -0.883 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -18.450 -10.700 -0.789 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -18.554 -11.573 0.759 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -19.037 -12.380 -0.752 1.00 0.00 H new ATOM 623 N PHE A 42 -22.407 -8.947 0.797 1.00 0.00 N ATOM 624 CA PHE A 42 -22.291 -7.546 1.161 1.00 0.00 C ATOM 625 C PHE A 42 -23.667 -6.932 1.426 1.00 0.00 C ATOM 626 O PHE A 42 -24.579 -7.069 0.612 1.00 0.00 O ATOM 627 CB PHE A 42 -21.644 -6.827 -0.025 1.00 0.00 C ATOM 628 CG PHE A 42 -20.168 -7.171 -0.232 1.00 0.00 C ATOM 629 CD1 PHE A 42 -19.820 -8.274 -0.948 1.00 0.00 C ATOM 630 CD2 PHE A 42 -19.203 -6.374 0.301 1.00 0.00 C ATOM 631 CE1 PHE A 42 -18.450 -8.594 -1.139 1.00 0.00 C ATOM 632 CE2 PHE A 42 -17.833 -6.694 0.109 1.00 0.00 C ATOM 633 CZ PHE A 42 -17.485 -7.797 -0.607 1.00 0.00 C ATOM 0 H PHE A 42 -22.400 -9.129 -0.207 1.00 0.00 H new ATOM 0 HA PHE A 42 -21.698 -7.446 2.070 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -22.195 -7.076 -0.932 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -21.739 -5.751 0.120 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -20.586 -8.907 -1.371 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -19.479 -5.498 0.870 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -18.174 -9.470 -1.707 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -17.067 -6.061 0.532 1.00 0.00 H new ATOM 0 HZ PHE A 42 -16.443 -8.040 -0.753 1.00 0.00 H new ATOM 643 N LYS A 43 -23.773 -6.267 2.567 1.00 0.00 N ATOM 644 CA LYS A 43 -25.022 -5.631 2.950 1.00 0.00 C ATOM 645 C LYS A 43 -25.291 -4.445 2.021 1.00 0.00 C ATOM 646 O LYS A 43 -26.364 -4.348 1.427 1.00 0.00 O ATOM 647 CB LYS A 43 -25.002 -5.258 4.433 1.00 0.00 C ATOM 648 CG LYS A 43 -26.390 -4.825 4.909 1.00 0.00 C ATOM 649 CD LYS A 43 -26.294 -3.968 6.173 1.00 0.00 C ATOM 650 CE LYS A 43 -27.665 -3.418 6.568 1.00 0.00 C ATOM 651 NZ LYS A 43 -28.301 -4.288 7.582 1.00 0.00 N ATOM 0 H LYS A 43 -23.014 -6.155 3.239 1.00 0.00 H new ATOM 0 HA LYS A 43 -25.854 -6.325 2.832 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -24.662 -6.110 5.021 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -24.289 -4.451 4.599 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -26.889 -4.262 4.121 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -27.001 -5.705 5.108 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -25.888 -4.564 6.991 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -25.602 -3.143 6.005 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -27.558 -2.408 6.963 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -28.303 -3.350 5.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -29.231 -3.900 7.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -28.421 -5.245 7.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -27.699 -4.332 8.429 1.00 0.00 H new ATOM 665 N LEU A 44 -24.298 -3.574 1.924 1.00 0.00 N ATOM 666 CA LEU A 44 -24.414 -2.398 1.078 1.00 0.00 C ATOM 667 C LEU A 44 -23.937 -2.743 -0.334 1.00 0.00 C ATOM 668 O LEU A 44 -23.061 -3.589 -0.509 1.00 0.00 O ATOM 669 CB LEU A 44 -23.677 -1.213 1.704 1.00 0.00 C ATOM 670 CG LEU A 44 -23.839 -1.044 3.216 1.00 0.00 C ATOM 671 CD1 LEU A 44 -23.152 0.234 3.702 1.00 0.00 C ATOM 672 CD2 LEU A 44 -25.314 -1.090 3.617 1.00 0.00 C ATOM 0 H LEU A 44 -23.409 -3.659 2.417 1.00 0.00 H new ATOM 0 HA LEU A 44 -25.456 -2.088 0.996 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -22.615 -1.313 1.482 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -24.020 -0.300 1.218 1.00 0.00 H new ATOM 0 HG LEU A 44 -23.345 -1.882 3.708 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -23.282 0.330 4.780 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -22.088 0.187 3.468 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -23.595 1.097 3.205 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -25.402 -0.968 4.697 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -25.853 -0.286 3.116 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -25.741 -2.050 3.325 1.00 0.00 H new ATOM 684 N LYS A 45 -24.534 -2.070 -1.307 1.00 0.00 N ATOM 685 CA LYS A 45 -24.181 -2.294 -2.698 1.00 0.00 C ATOM 686 C LYS A 45 -22.985 -1.414 -3.065 1.00 0.00 C ATOM 687 O LYS A 45 -22.157 -1.798 -3.890 1.00 0.00 O ATOM 688 CB LYS A 45 -25.399 -2.083 -3.601 1.00 0.00 C ATOM 689 CG LYS A 45 -26.567 -2.969 -3.161 1.00 0.00 C ATOM 690 CD LYS A 45 -26.384 -4.404 -3.658 1.00 0.00 C ATOM 691 CE LYS A 45 -26.830 -4.542 -5.115 1.00 0.00 C ATOM 692 NZ LYS A 45 -27.994 -5.450 -5.216 1.00 0.00 N ATOM 0 H LYS A 45 -25.260 -1.369 -1.159 1.00 0.00 H new ATOM 0 HA LYS A 45 -23.875 -3.329 -2.851 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -25.701 -1.036 -3.572 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -25.134 -2.310 -4.634 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -26.643 -2.964 -2.074 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -27.502 -2.563 -3.547 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -25.337 -4.694 -3.566 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -26.960 -5.086 -3.032 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -27.089 -3.562 -5.517 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -26.008 -4.926 -5.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -28.284 -5.533 -6.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -27.735 -6.389 -4.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -28.782 -5.067 -4.656 1.00 0.00 H new ATOM 706 N GLU A 46 -22.931 -0.251 -2.434 1.00 0.00 N ATOM 707 CA GLU A 46 -21.850 0.687 -2.683 1.00 0.00 C ATOM 708 C GLU A 46 -21.721 1.671 -1.519 1.00 0.00 C ATOM 709 O GLU A 46 -22.722 2.073 -0.928 1.00 0.00 O ATOM 710 CB GLU A 46 -22.059 1.427 -4.006 1.00 0.00 C ATOM 711 CG GLU A 46 -21.081 2.595 -4.142 1.00 0.00 C ATOM 712 CD GLU A 46 -21.745 3.915 -3.746 1.00 0.00 C ATOM 713 OE1 GLU A 46 -22.531 4.426 -4.573 1.00 0.00 O ATOM 714 OE2 GLU A 46 -21.452 4.384 -2.625 1.00 0.00 O ATOM 0 H GLU A 46 -23.619 0.064 -1.750 1.00 0.00 H new ATOM 0 HA GLU A 46 -20.920 0.125 -2.762 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -21.924 0.736 -4.838 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -23.083 1.797 -4.062 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -20.209 2.419 -3.512 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -20.724 2.657 -5.170 1.00 0.00 H new ATOM 721 N SER A 47 -20.481 2.031 -1.224 1.00 0.00 N ATOM 722 CA SER A 47 -20.208 2.961 -0.141 1.00 0.00 C ATOM 723 C SER A 47 -18.857 3.642 -0.364 1.00 0.00 C ATOM 724 O SER A 47 -18.081 3.225 -1.222 1.00 0.00 O ATOM 725 CB SER A 47 -20.228 2.250 1.213 1.00 0.00 C ATOM 726 OG SER A 47 -19.965 3.145 2.290 1.00 0.00 O ATOM 0 H SER A 47 -19.653 1.695 -1.716 1.00 0.00 H new ATOM 0 HA SER A 47 -20.992 3.718 -0.134 1.00 0.00 H new ATOM 0 HB2 SER A 47 -21.200 1.780 1.361 1.00 0.00 H new ATOM 0 HB3 SER A 47 -19.485 1.453 1.215 1.00 0.00 H new ATOM 0 HG SER A 47 -19.714 2.633 3.087 1.00 0.00 H new ATOM 732 N CYS A 48 -18.616 4.679 0.425 1.00 0.00 N ATOM 733 CA CYS A 48 -17.371 5.422 0.325 1.00 0.00 C ATOM 734 C CYS A 48 -16.833 5.651 1.739 1.00 0.00 C ATOM 735 O CYS A 48 -17.559 6.120 2.614 1.00 0.00 O ATOM 736 CB CYS A 48 -17.556 6.737 -0.435 1.00 0.00 C ATOM 737 SG CYS A 48 -18.471 7.936 0.602 1.00 0.00 S ATOM 0 H CYS A 48 -19.262 5.022 1.136 1.00 0.00 H new ATOM 0 HA CYS A 48 -16.646 4.845 -0.250 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -16.584 7.148 -0.709 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -18.099 6.557 -1.363 1.00 0.00 H new ATOM 0 HG CYS A 48 -18.385 7.584 1.851 1.00 0.00 H new ATOM 743 N VAL A 49 -15.566 5.311 1.918 1.00 0.00 N ATOM 744 CA VAL A 49 -14.923 5.474 3.211 1.00 0.00 C ATOM 745 C VAL A 49 -13.438 5.778 3.002 1.00 0.00 C ATOM 746 O VAL A 49 -12.956 5.791 1.870 1.00 0.00 O ATOM 747 CB VAL A 49 -15.163 4.234 4.075 1.00 0.00 C ATOM 748 CG1 VAL A 49 -16.659 4.007 4.303 1.00 0.00 C ATOM 749 CG2 VAL A 49 -14.509 2.998 3.455 1.00 0.00 C ATOM 0 H VAL A 49 -14.967 4.923 1.189 1.00 0.00 H new ATOM 0 HA VAL A 49 -15.356 6.317 3.749 1.00 0.00 H new ATOM 0 HB VAL A 49 -14.698 4.407 5.046 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -16.803 3.120 4.920 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -17.086 4.873 4.809 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -17.156 3.866 3.343 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -14.695 2.131 4.089 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -14.931 2.821 2.466 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -13.435 3.160 3.368 1.00 0.00 H new ATOM 759 N ARG A 50 -12.753 6.015 4.112 1.00 0.00 N ATOM 760 CA ARG A 50 -11.333 6.318 4.065 1.00 0.00 C ATOM 761 C ARG A 50 -10.526 5.181 4.696 1.00 0.00 C ATOM 762 O ARG A 50 -10.968 4.566 5.666 1.00 0.00 O ATOM 763 CB ARG A 50 -11.024 7.623 4.800 1.00 0.00 C ATOM 764 CG ARG A 50 -10.965 8.801 3.825 1.00 0.00 C ATOM 765 CD ARG A 50 -11.399 10.100 4.508 1.00 0.00 C ATOM 766 NE ARG A 50 -12.563 10.679 3.801 1.00 0.00 N ATOM 767 CZ ARG A 50 -12.555 11.040 2.511 1.00 0.00 C ATOM 768 NH1 ARG A 50 -11.444 10.885 1.779 1.00 0.00 N ATOM 769 NH2 ARG A 50 -13.659 11.557 1.953 1.00 0.00 N ATOM 0 H ARG A 50 -13.156 6.003 5.049 1.00 0.00 H new ATOM 0 HA ARG A 50 -11.052 6.429 3.018 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -11.788 7.809 5.555 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -10.073 7.533 5.325 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -9.951 8.909 3.441 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -11.611 8.602 2.969 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -11.656 9.905 5.549 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -10.574 10.812 4.511 1.00 0.00 H new ATOM 0 HE ARG A 50 -13.426 10.812 4.329 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -10.604 10.492 2.204 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -11.438 11.160 0.797 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -14.505 11.675 2.511 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -13.653 11.832 0.971 1.00 0.00 H new ATOM 783 N ARG A 51 -9.358 4.937 4.121 1.00 0.00 N ATOM 784 CA ARG A 51 -8.486 3.885 4.616 1.00 0.00 C ATOM 785 C ARG A 51 -7.037 4.163 4.210 1.00 0.00 C ATOM 786 O ARG A 51 -6.753 4.405 3.038 1.00 0.00 O ATOM 787 CB ARG A 51 -8.908 2.519 4.072 1.00 0.00 C ATOM 788 CG ARG A 51 -8.487 1.397 5.023 1.00 0.00 C ATOM 789 CD ARG A 51 -9.282 1.458 6.329 1.00 0.00 C ATOM 790 NE ARG A 51 -10.733 1.445 6.040 1.00 0.00 N ATOM 791 CZ ARG A 51 -11.681 1.735 6.941 1.00 0.00 C ATOM 792 NH1 ARG A 51 -11.338 2.063 8.193 1.00 0.00 N ATOM 793 NH2 ARG A 51 -12.974 1.698 6.589 1.00 0.00 N ATOM 0 H ARG A 51 -8.995 5.449 3.317 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.566 3.871 5.703 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -9.989 2.497 3.933 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.458 2.359 3.092 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -8.643 0.431 4.543 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.421 1.478 5.238 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.022 0.610 6.963 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -9.021 2.361 6.881 1.00 0.00 H new ATOM 0 HE ARG A 51 -11.030 1.200 5.096 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -10.354 2.092 8.461 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -12.060 2.284 8.878 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -13.236 1.449 5.635 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -13.696 1.919 7.275 1.00 0.00 H new ATOM 807 N ARG A 52 -6.159 4.118 5.201 1.00 0.00 N ATOM 808 CA ARG A 52 -4.747 4.362 4.962 1.00 0.00 C ATOM 809 C ARG A 52 -4.052 3.070 4.525 1.00 0.00 C ATOM 810 O ARG A 52 -4.684 2.017 4.446 1.00 0.00 O ATOM 811 CB ARG A 52 -4.061 4.902 6.218 1.00 0.00 C ATOM 812 CG ARG A 52 -4.500 6.339 6.508 1.00 0.00 C ATOM 813 CD ARG A 52 -4.938 6.495 7.965 1.00 0.00 C ATOM 814 NE ARG A 52 -6.376 6.171 8.098 1.00 0.00 N ATOM 815 CZ ARG A 52 -7.029 6.116 9.267 1.00 0.00 C ATOM 816 NH1 ARG A 52 -6.376 6.364 10.411 1.00 0.00 N ATOM 817 NH2 ARG A 52 -8.334 5.814 9.293 1.00 0.00 N ATOM 0 H ARG A 52 -6.398 3.916 6.172 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.668 5.107 4.170 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.301 4.266 7.070 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.979 4.867 6.089 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.679 7.024 6.296 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.322 6.613 5.846 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.348 5.837 8.603 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.754 7.515 8.302 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.903 5.977 7.246 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.383 6.594 10.392 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.873 6.322 11.301 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -8.831 5.626 8.423 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.830 5.772 10.183 1.00 0.00 H new ATOM 831 N TYR A 53 -2.762 3.193 4.252 1.00 0.00 N ATOM 832 CA TYR A 53 -1.974 2.049 3.826 1.00 0.00 C ATOM 833 C TYR A 53 -1.697 1.106 4.998 1.00 0.00 C ATOM 834 O TYR A 53 -1.480 -0.088 4.801 1.00 0.00 O ATOM 835 CB TYR A 53 -0.647 2.616 3.318 1.00 0.00 C ATOM 836 CG TYR A 53 0.479 1.584 3.234 1.00 0.00 C ATOM 837 CD1 TYR A 53 0.579 0.760 2.132 1.00 0.00 C ATOM 838 CD2 TYR A 53 1.395 1.477 4.261 1.00 0.00 C ATOM 839 CE1 TYR A 53 1.639 -0.212 2.053 1.00 0.00 C ATOM 840 CE2 TYR A 53 2.455 0.505 4.182 1.00 0.00 C ATOM 841 CZ TYR A 53 2.524 -0.291 3.082 1.00 0.00 C ATOM 842 OH TYR A 53 3.526 -1.209 3.007 1.00 0.00 O ATOM 0 H TYR A 53 -2.242 4.068 4.318 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.505 1.481 3.063 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.803 3.049 2.330 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.334 3.427 3.976 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.138 0.844 1.328 1.00 0.00 H new ATOM 0 HD2 TYR A 53 1.317 2.122 5.124 1.00 0.00 H new ATOM 0 HE1 TYR A 53 1.729 -0.863 1.196 1.00 0.00 H new ATOM 0 HE2 TYR A 53 3.178 0.411 4.978 1.00 0.00 H new ATOM 0 HH TYR A 53 4.083 -1.152 3.811 1.00 0.00 H new ATOM 852 N SER A 54 -1.715 1.678 6.193 1.00 0.00 N ATOM 853 CA SER A 54 -1.468 0.904 7.397 1.00 0.00 C ATOM 854 C SER A 54 -2.691 0.045 7.726 1.00 0.00 C ATOM 855 O SER A 54 -2.553 -1.113 8.118 1.00 0.00 O ATOM 856 CB SER A 54 -1.126 1.815 8.578 1.00 0.00 C ATOM 857 OG SER A 54 0.101 1.444 9.200 1.00 0.00 O ATOM 0 H SER A 54 -1.897 2.669 6.353 1.00 0.00 H new ATOM 0 HA SER A 54 -0.612 0.254 7.216 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.060 2.847 8.233 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.931 1.775 9.312 1.00 0.00 H new ATOM 0 HG SER A 54 0.285 2.050 9.948 1.00 0.00 H new ATOM 863 N ASP A 55 -3.859 0.645 7.556 1.00 0.00 N ATOM 864 CA ASP A 55 -5.105 -0.050 7.830 1.00 0.00 C ATOM 865 C ASP A 55 -5.081 -1.419 7.147 1.00 0.00 C ATOM 866 O ASP A 55 -5.379 -2.435 7.774 1.00 0.00 O ATOM 867 CB ASP A 55 -6.303 0.729 7.284 1.00 0.00 C ATOM 868 CG ASP A 55 -7.154 1.433 8.343 1.00 0.00 C ATOM 869 OD1 ASP A 55 -7.918 0.716 9.025 1.00 0.00 O ATOM 870 OD2 ASP A 55 -7.022 2.671 8.447 1.00 0.00 O ATOM 0 H ASP A 55 -3.969 1.606 7.232 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.203 -0.151 8.911 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.940 1.475 6.576 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -6.940 0.043 6.726 1.00 0.00 H new ATOM 875 N PHE A 56 -4.724 -1.402 5.871 1.00 0.00 N ATOM 876 CA PHE A 56 -4.657 -2.630 5.096 1.00 0.00 C ATOM 877 C PHE A 56 -3.760 -3.663 5.782 1.00 0.00 C ATOM 878 O PHE A 56 -4.126 -4.832 5.892 1.00 0.00 O ATOM 879 CB PHE A 56 -4.053 -2.269 3.738 1.00 0.00 C ATOM 880 CG PHE A 56 -5.071 -1.739 2.725 1.00 0.00 C ATOM 881 CD1 PHE A 56 -5.897 -2.602 2.077 1.00 0.00 C ATOM 882 CD2 PHE A 56 -5.148 -0.405 2.474 1.00 0.00 C ATOM 883 CE1 PHE A 56 -6.842 -2.110 1.137 1.00 0.00 C ATOM 884 CE2 PHE A 56 -6.092 0.087 1.535 1.00 0.00 C ATOM 885 CZ PHE A 56 -6.919 -0.776 0.886 1.00 0.00 C ATOM 0 H PHE A 56 -4.478 -0.558 5.354 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.653 -3.062 4.996 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.277 -1.518 3.885 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.567 -3.152 3.322 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.835 -3.662 2.277 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.491 0.280 2.989 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -7.499 -2.795 0.622 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -6.154 1.147 1.336 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.637 -0.402 0.171 1.00 0.00 H new ATOM 895 N GLU A 57 -2.603 -3.193 6.225 1.00 0.00 N ATOM 896 CA GLU A 57 -1.651 -4.061 6.897 1.00 0.00 C ATOM 897 C GLU A 57 -2.331 -4.802 8.050 1.00 0.00 C ATOM 898 O GLU A 57 -2.020 -5.962 8.316 1.00 0.00 O ATOM 899 CB GLU A 57 -0.441 -3.268 7.393 1.00 0.00 C ATOM 900 CG GLU A 57 0.764 -3.473 6.472 1.00 0.00 C ATOM 901 CD GLU A 57 2.074 -3.395 7.258 1.00 0.00 C ATOM 902 OE1 GLU A 57 2.071 -3.867 8.415 1.00 0.00 O ATOM 903 OE2 GLU A 57 3.050 -2.866 6.683 1.00 0.00 O ATOM 0 H GLU A 57 -2.303 -2.222 6.132 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.291 -4.798 6.179 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.691 -2.208 7.440 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.187 -3.581 8.406 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.689 -4.442 5.979 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.760 -2.716 5.688 1.00 0.00 H new ATOM 910 N TRP A 58 -3.246 -4.102 8.704 1.00 0.00 N ATOM 911 CA TRP A 58 -3.972 -4.679 9.822 1.00 0.00 C ATOM 912 C TRP A 58 -4.942 -5.724 9.268 1.00 0.00 C ATOM 913 O TRP A 58 -5.042 -6.828 9.800 1.00 0.00 O ATOM 914 CB TRP A 58 -4.669 -3.592 10.643 1.00 0.00 C ATOM 915 CG TRP A 58 -5.735 -4.125 11.603 1.00 0.00 C ATOM 916 CD1 TRP A 58 -5.612 -4.381 12.913 1.00 0.00 C ATOM 917 CD2 TRP A 58 -7.100 -4.458 11.273 1.00 0.00 C ATOM 918 NE1 TRP A 58 -6.793 -4.852 13.449 1.00 0.00 N ATOM 919 CE2 TRP A 58 -7.726 -4.901 12.420 1.00 0.00 C ATOM 920 CE3 TRP A 58 -7.782 -4.387 10.046 1.00 0.00 C ATOM 921 CZ2 TRP A 58 -9.066 -5.308 12.453 1.00 0.00 C ATOM 922 CZ3 TRP A 58 -9.120 -4.797 10.096 1.00 0.00 C ATOM 923 CH2 TRP A 58 -9.766 -5.246 11.243 1.00 0.00 C ATOM 0 H TRP A 58 -3.501 -3.140 8.481 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.288 -5.172 10.513 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -3.919 -3.046 11.216 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -5.132 -2.878 9.962 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -4.703 -4.237 13.478 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -6.952 -5.116 14.421 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -7.311 -4.043 9.137 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -9.534 -5.651 13.364 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -9.690 -4.762 9.180 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -10.803 -5.545 11.200 1.00 0.00 H new ATOM 934 N LEU A 59 -5.632 -5.339 8.204 1.00 0.00 N ATOM 935 CA LEU A 59 -6.591 -6.228 7.572 1.00 0.00 C ATOM 936 C LEU A 59 -5.862 -7.467 7.048 1.00 0.00 C ATOM 937 O LEU A 59 -6.317 -8.592 7.252 1.00 0.00 O ATOM 938 CB LEU A 59 -7.386 -5.483 6.498 1.00 0.00 C ATOM 939 CG LEU A 59 -7.621 -6.241 5.190 1.00 0.00 C ATOM 940 CD1 LEU A 59 -8.586 -7.410 5.399 1.00 0.00 C ATOM 941 CD2 LEU A 59 -8.097 -5.296 4.085 1.00 0.00 C ATOM 0 H LEU A 59 -5.545 -4.423 7.764 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.327 -6.573 8.299 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -8.355 -5.210 6.916 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.865 -4.554 6.268 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.670 -6.662 4.865 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.736 -7.932 4.454 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.168 -8.100 6.132 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -9.542 -7.032 5.760 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.256 -5.861 3.167 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -9.032 -4.824 4.387 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.342 -4.529 3.913 1.00 0.00 H new ATOM 953 N LYS A 60 -4.743 -7.220 6.384 1.00 0.00 N ATOM 954 CA LYS A 60 -3.946 -8.301 5.830 1.00 0.00 C ATOM 955 C LYS A 60 -3.407 -9.168 6.970 1.00 0.00 C ATOM 956 O LYS A 60 -3.760 -10.341 7.083 1.00 0.00 O ATOM 957 CB LYS A 60 -2.856 -7.747 4.910 1.00 0.00 C ATOM 958 CG LYS A 60 -1.638 -8.672 4.886 1.00 0.00 C ATOM 959 CD LYS A 60 -0.762 -8.393 3.662 1.00 0.00 C ATOM 960 CE LYS A 60 0.324 -9.460 3.510 1.00 0.00 C ATOM 961 NZ LYS A 60 1.416 -9.230 4.481 1.00 0.00 N ATOM 0 H LYS A 60 -4.369 -6.286 6.217 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.562 -8.945 5.203 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.251 -7.633 3.900 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.558 -6.755 5.250 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.053 -8.533 5.795 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.966 -9.711 4.874 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.381 -8.369 2.765 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -0.300 -7.410 3.757 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.106 -10.450 3.665 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.722 -9.441 2.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.324 -9.182 3.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.251 -8.334 4.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.441 -10.012 5.166 1.00 0.00 H new ATOM 975 N ASN A 61 -2.561 -8.557 7.786 1.00 0.00 N ATOM 976 CA ASN A 61 -1.970 -9.258 8.913 1.00 0.00 C ATOM 977 C ASN A 61 -3.070 -9.983 9.691 1.00 0.00 C ATOM 978 O ASN A 61 -2.825 -11.028 10.291 1.00 0.00 O ATOM 979 CB ASN A 61 -1.280 -8.282 9.868 1.00 0.00 C ATOM 980 CG ASN A 61 -0.263 -9.007 10.752 1.00 0.00 C ATOM 981 OD1 ASN A 61 -0.143 -10.221 10.737 1.00 0.00 O ATOM 982 ND2 ASN A 61 0.459 -8.197 11.522 1.00 0.00 N ATOM 0 H ASN A 61 -2.271 -7.584 7.689 1.00 0.00 H new ATOM 0 HA ASN A 61 -1.235 -9.962 8.524 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -0.779 -7.501 9.296 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -2.026 -7.791 10.493 1.00 0.00 H new ATOM 0 HD21 ASN A 61 1.164 -8.584 12.149 1.00 0.00 H new ATOM 0 HD22 ASN A 61 0.307 -7.189 11.485 1.00 0.00 H new ATOM 989 N GLU A 62 -4.259 -9.399 9.655 1.00 0.00 N ATOM 990 CA GLU A 62 -5.397 -9.976 10.350 1.00 0.00 C ATOM 991 C GLU A 62 -5.743 -11.344 9.757 1.00 0.00 C ATOM 992 O GLU A 62 -6.157 -12.250 10.478 1.00 0.00 O ATOM 993 CB GLU A 62 -6.603 -9.036 10.300 1.00 0.00 C ATOM 994 CG GLU A 62 -7.913 -9.827 10.255 1.00 0.00 C ATOM 995 CD GLU A 62 -8.126 -10.610 11.552 1.00 0.00 C ATOM 996 OE1 GLU A 62 -7.885 -10.011 12.622 1.00 0.00 O ATOM 997 OE2 GLU A 62 -8.526 -11.789 11.444 1.00 0.00 O ATOM 0 H GLU A 62 -4.459 -8.532 9.155 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.128 -10.113 11.397 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.597 -8.384 11.174 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.532 -8.393 9.423 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.748 -9.145 10.096 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.898 -10.515 9.409 1.00 0.00 H new ATOM 1004 N LEU A 63 -5.560 -11.449 8.449 1.00 0.00 N ATOM 1005 CA LEU A 63 -5.847 -12.691 7.751 1.00 0.00 C ATOM 1006 C LEU A 63 -4.783 -13.730 8.109 1.00 0.00 C ATOM 1007 O LEU A 63 -5.107 -14.882 8.395 1.00 0.00 O ATOM 1008 CB LEU A 63 -5.982 -12.441 6.247 1.00 0.00 C ATOM 1009 CG LEU A 63 -7.259 -11.728 5.797 1.00 0.00 C ATOM 1010 CD1 LEU A 63 -7.089 -11.128 4.400 1.00 0.00 C ATOM 1011 CD2 LEU A 63 -8.467 -12.664 5.876 1.00 0.00 C ATOM 0 H LEU A 63 -5.217 -10.695 7.854 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.807 -13.095 8.071 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.126 -11.852 5.919 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.925 -13.400 5.733 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.447 -10.901 6.482 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.011 -10.627 4.104 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.272 -10.407 4.411 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.863 -11.922 3.688 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.361 -12.132 5.551 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.302 -13.526 5.230 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.599 -13.001 6.904 1.00 0.00 H new ATOM 1023 N GLU A 64 -3.535 -13.286 8.081 1.00 0.00 N ATOM 1024 CA GLU A 64 -2.422 -14.163 8.399 1.00 0.00 C ATOM 1025 C GLU A 64 -2.470 -14.569 9.873 1.00 0.00 C ATOM 1026 O GLU A 64 -2.058 -15.672 10.231 1.00 0.00 O ATOM 1027 CB GLU A 64 -1.086 -13.501 8.056 1.00 0.00 C ATOM 1028 CG GLU A 64 -1.143 -12.830 6.682 1.00 0.00 C ATOM 1029 CD GLU A 64 0.223 -12.872 5.994 1.00 0.00 C ATOM 1030 OE1 GLU A 64 0.512 -13.915 5.370 1.00 0.00 O ATOM 1031 OE2 GLU A 64 0.947 -11.859 6.109 1.00 0.00 O ATOM 0 H GLU A 64 -3.270 -12.330 7.843 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.510 -15.064 7.791 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.837 -12.760 8.816 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.292 -14.248 8.067 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.884 -13.331 6.059 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.467 -11.795 6.792 1.00 0.00 H new ATOM 1107 N ILE A 69 -5.060 -17.829 5.200 1.00 0.00 N ATOM 1108 CA ILE A 69 -5.586 -17.411 3.912 1.00 0.00 C ATOM 1109 C ILE A 69 -4.447 -16.853 3.056 1.00 0.00 C ATOM 1110 O ILE A 69 -3.425 -16.417 3.585 1.00 0.00 O ATOM 1111 CB ILE A 69 -6.749 -16.434 4.100 1.00 0.00 C ATOM 1112 CG1 ILE A 69 -8.030 -17.175 4.488 1.00 0.00 C ATOM 1113 CG2 ILE A 69 -6.944 -15.566 2.855 1.00 0.00 C ATOM 1114 CD1 ILE A 69 -9.248 -16.254 4.386 1.00 0.00 C ATOM 0 HA ILE A 69 -6.000 -18.265 3.375 1.00 0.00 H new ATOM 0 HB ILE A 69 -6.502 -15.764 4.924 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -8.167 -18.038 3.837 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.941 -17.555 5.506 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -7.777 -14.881 3.016 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.036 -14.995 2.664 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -7.159 -16.203 1.997 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -10.145 -16.805 4.667 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -9.119 -15.404 5.057 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -9.348 -15.896 3.362 1.00 0.00 H new ATOM 1126 N VAL A 70 -4.661 -16.885 1.749 1.00 0.00 N ATOM 1127 CA VAL A 70 -3.665 -16.388 0.815 1.00 0.00 C ATOM 1128 C VAL A 70 -3.852 -14.881 0.631 1.00 0.00 C ATOM 1129 O VAL A 70 -4.754 -14.446 -0.082 1.00 0.00 O ATOM 1130 CB VAL A 70 -3.747 -17.166 -0.500 1.00 0.00 C ATOM 1131 CG1 VAL A 70 -2.831 -16.549 -1.559 1.00 0.00 C ATOM 1132 CG2 VAL A 70 -3.417 -18.644 -0.284 1.00 0.00 C ATOM 0 H VAL A 70 -5.510 -17.247 1.315 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.660 -16.545 1.208 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.772 -17.102 -0.864 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.908 -17.120 -2.484 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.131 -15.518 -1.744 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.800 -16.569 -1.205 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.483 -19.174 -1.234 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.407 -18.737 0.114 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.126 -19.076 0.422 1.00 0.00 H new ATOM 1142 N VAL A 71 -2.983 -14.125 1.287 1.00 0.00 N ATOM 1143 CA VAL A 71 -3.041 -12.675 1.204 1.00 0.00 C ATOM 1144 C VAL A 71 -1.922 -12.176 0.288 1.00 0.00 C ATOM 1145 O VAL A 71 -0.792 -12.655 0.365 1.00 0.00 O ATOM 1146 CB VAL A 71 -2.981 -12.068 2.608 1.00 0.00 C ATOM 1147 CG1 VAL A 71 -3.427 -10.605 2.592 1.00 0.00 C ATOM 1148 CG2 VAL A 71 -3.816 -12.886 3.595 1.00 0.00 C ATOM 0 H VAL A 71 -2.235 -14.489 1.878 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.986 -12.354 0.766 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.944 -12.098 2.942 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.375 -10.198 3.602 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.772 -10.032 1.935 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.452 -10.541 2.227 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.756 -12.433 4.585 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -4.855 -12.903 3.266 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.433 -13.905 3.639 1.00 0.00 H new ATOM 1158 N PRO A 72 -2.285 -11.194 -0.579 1.00 0.00 N ATOM 1159 CA PRO A 72 -1.325 -10.624 -1.509 1.00 0.00 C ATOM 1160 C PRO A 72 -0.359 -9.680 -0.790 1.00 0.00 C ATOM 1161 O PRO A 72 -0.616 -9.265 0.339 1.00 0.00 O ATOM 1162 CB PRO A 72 -2.166 -9.923 -2.564 1.00 0.00 C ATOM 1163 CG PRO A 72 -3.538 -9.729 -1.940 1.00 0.00 C ATOM 1164 CD PRO A 72 -3.614 -10.601 -0.698 1.00 0.00 C ATOM 0 HA PRO A 72 -0.684 -11.378 -1.966 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -1.725 -8.966 -2.843 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.231 -10.521 -3.473 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -3.695 -8.682 -1.681 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.321 -10.003 -2.647 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -3.865 -10.012 0.184 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.382 -11.368 -0.799 1.00 0.00 H new ATOM 1172 N PRO A 73 0.760 -9.358 -1.492 1.00 0.00 N ATOM 1173 CA PRO A 73 1.766 -8.471 -0.933 1.00 0.00 C ATOM 1174 C PRO A 73 1.290 -7.017 -0.960 1.00 0.00 C ATOM 1175 O PRO A 73 0.497 -6.635 -1.821 1.00 0.00 O ATOM 1176 CB PRO A 73 3.009 -8.704 -1.775 1.00 0.00 C ATOM 1177 CG PRO A 73 2.527 -9.363 -3.057 1.00 0.00 C ATOM 1178 CD PRO A 73 1.098 -9.830 -2.832 1.00 0.00 C ATOM 0 HA PRO A 73 1.970 -8.676 0.118 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.519 -7.764 -1.987 1.00 0.00 H new ATOM 0 HB3 PRO A 73 3.721 -9.342 -1.252 1.00 0.00 H new ATOM 0 HG2 PRO A 73 2.572 -8.659 -3.888 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.168 -10.206 -3.317 1.00 0.00 H new ATOM 0 HD2 PRO A 73 0.423 -9.414 -3.580 1.00 0.00 H new ATOM 0 HD3 PRO A 73 1.021 -10.915 -2.901 1.00 0.00 H new ATOM 1186 N LEU A 74 1.793 -6.245 -0.008 1.00 0.00 N ATOM 1187 CA LEU A 74 1.429 -4.841 0.087 1.00 0.00 C ATOM 1188 C LEU A 74 2.469 -3.998 -0.653 1.00 0.00 C ATOM 1189 O LEU A 74 3.643 -4.359 -0.705 1.00 0.00 O ATOM 1190 CB LEU A 74 1.237 -4.436 1.550 1.00 0.00 C ATOM 1191 CG LEU A 74 -0.111 -4.802 2.176 1.00 0.00 C ATOM 1192 CD1 LEU A 74 -0.071 -4.640 3.697 1.00 0.00 C ATOM 1193 CD2 LEU A 74 -1.246 -3.995 1.543 1.00 0.00 C ATOM 0 H LEU A 74 2.449 -6.565 0.704 1.00 0.00 H new ATOM 0 HA LEU A 74 0.470 -4.662 -0.398 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.027 -4.899 2.141 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.371 -3.357 1.628 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.310 -5.854 1.970 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.041 -4.906 4.117 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.696 -5.294 4.112 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.160 -3.605 3.947 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.193 -4.274 2.006 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.066 -2.931 1.698 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.289 -4.204 0.474 1.00 0.00 H new ATOM 1205 N PRO A 75 1.986 -2.860 -1.222 1.00 0.00 N ATOM 1206 CA PRO A 75 2.861 -1.962 -1.957 1.00 0.00 C ATOM 1207 C PRO A 75 3.742 -1.153 -1.003 1.00 0.00 C ATOM 1208 O PRO A 75 3.432 -0.005 -0.689 1.00 0.00 O ATOM 1209 CB PRO A 75 1.927 -1.094 -2.784 1.00 0.00 C ATOM 1210 CG PRO A 75 0.557 -1.221 -2.138 1.00 0.00 C ATOM 1211 CD PRO A 75 0.601 -2.401 -1.181 1.00 0.00 C ATOM 0 HA PRO A 75 3.565 -2.491 -2.600 1.00 0.00 H new ATOM 0 HB2 PRO A 75 2.261 -0.057 -2.790 1.00 0.00 H new ATOM 0 HB3 PRO A 75 1.902 -1.427 -3.822 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.300 -0.306 -1.604 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -0.210 -1.373 -2.897 1.00 0.00 H new ATOM 0 HD2 PRO A 75 0.312 -2.104 -0.173 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -0.086 -3.188 -1.491 1.00 0.00 H new ATOM 1219 N GLY A 76 4.824 -1.783 -0.570 1.00 0.00 N ATOM 1220 CA GLY A 76 5.752 -1.136 0.342 1.00 0.00 C ATOM 1221 C GLY A 76 6.775 -2.136 0.884 1.00 0.00 C ATOM 1222 O GLY A 76 6.462 -3.311 1.071 1.00 0.00 O ATOM 0 H GLY A 76 5.079 -2.735 -0.834 1.00 0.00 H new ATOM 0 HA2 GLY A 76 6.268 -0.326 -0.173 1.00 0.00 H new ATOM 0 HA3 GLY A 76 5.202 -0.689 1.170 1.00 0.00 H new ATOM 1512 N GLU A 94 4.511 12.332 -5.448 1.00 0.00 N ATOM 1513 CA GLU A 94 3.333 12.002 -6.232 1.00 0.00 C ATOM 1514 C GLU A 94 3.386 10.540 -6.681 1.00 0.00 C ATOM 1515 O GLU A 94 2.473 9.766 -6.396 1.00 0.00 O ATOM 1516 CB GLU A 94 3.194 12.939 -7.433 1.00 0.00 C ATOM 1517 CG GLU A 94 1.958 13.830 -7.293 1.00 0.00 C ATOM 1518 CD GLU A 94 0.736 13.181 -7.947 1.00 0.00 C ATOM 1519 OE1 GLU A 94 0.697 13.175 -9.196 1.00 0.00 O ATOM 1520 OE2 GLU A 94 -0.131 12.705 -7.183 1.00 0.00 O ATOM 0 HA GLU A 94 2.453 12.137 -5.603 1.00 0.00 H new ATOM 0 HB2 GLU A 94 4.086 13.559 -7.520 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.123 12.353 -8.349 1.00 0.00 H new ATOM 0 HG2 GLU A 94 1.755 14.014 -6.238 1.00 0.00 H new ATOM 0 HG3 GLU A 94 2.150 14.799 -7.754 1.00 0.00 H new ATOM 1527 N SER A 95 4.465 10.206 -7.374 1.00 0.00 N ATOM 1528 CA SER A 95 4.649 8.851 -7.865 1.00 0.00 C ATOM 1529 C SER A 95 4.255 7.844 -6.782 1.00 0.00 C ATOM 1530 O SER A 95 3.364 7.022 -6.988 1.00 0.00 O ATOM 1531 CB SER A 95 6.095 8.617 -8.306 1.00 0.00 C ATOM 1532 OG SER A 95 6.264 7.345 -8.926 1.00 0.00 O ATOM 0 H SER A 95 5.221 10.850 -7.607 1.00 0.00 H new ATOM 0 HA SER A 95 4.005 8.711 -8.734 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.394 9.402 -9.001 1.00 0.00 H new ATOM 0 HB3 SER A 95 6.754 8.689 -7.441 1.00 0.00 H new ATOM 0 HG SER A 95 7.200 7.234 -9.195 1.00 0.00 H new ATOM 1538 N PHE A 96 4.939 7.942 -5.651 1.00 0.00 N ATOM 1539 CA PHE A 96 4.672 7.051 -4.535 1.00 0.00 C ATOM 1540 C PHE A 96 3.174 6.983 -4.234 1.00 0.00 C ATOM 1541 O PHE A 96 2.601 5.897 -4.158 1.00 0.00 O ATOM 1542 CB PHE A 96 5.399 7.627 -3.319 1.00 0.00 C ATOM 1543 CG PHE A 96 5.948 6.566 -2.362 1.00 0.00 C ATOM 1544 CD1 PHE A 96 5.149 5.547 -1.945 1.00 0.00 C ATOM 1545 CD2 PHE A 96 7.234 6.642 -1.928 1.00 0.00 C ATOM 1546 CE1 PHE A 96 5.658 4.563 -1.058 1.00 0.00 C ATOM 1547 CE2 PHE A 96 7.743 5.658 -1.040 1.00 0.00 C ATOM 1548 CZ PHE A 96 6.944 4.639 -0.623 1.00 0.00 C ATOM 0 H PHE A 96 5.678 8.625 -5.484 1.00 0.00 H new ATOM 0 HA PHE A 96 5.013 6.044 -4.773 1.00 0.00 H new ATOM 0 HB2 PHE A 96 6.223 8.252 -3.663 1.00 0.00 H new ATOM 0 HB3 PHE A 96 4.714 8.275 -2.772 1.00 0.00 H new ATOM 0 HD1 PHE A 96 4.127 5.487 -2.289 1.00 0.00 H new ATOM 0 HD2 PHE A 96 7.869 7.451 -2.259 1.00 0.00 H new ATOM 0 HE1 PHE A 96 5.024 3.753 -0.728 1.00 0.00 H new ATOM 0 HE2 PHE A 96 8.765 5.719 -0.695 1.00 0.00 H new ATOM 0 HZ PHE A 96 7.331 3.891 0.053 1.00 0.00 H new ATOM 1558 N ILE A 97 2.582 8.157 -4.070 1.00 0.00 N ATOM 1559 CA ILE A 97 1.161 8.244 -3.779 1.00 0.00 C ATOM 1560 C ILE A 97 0.386 7.383 -4.778 1.00 0.00 C ATOM 1561 O ILE A 97 -0.474 6.595 -4.387 1.00 0.00 O ATOM 1562 CB ILE A 97 0.710 9.706 -3.747 1.00 0.00 C ATOM 1563 CG1 ILE A 97 1.161 10.392 -2.456 1.00 0.00 C ATOM 1564 CG2 ILE A 97 -0.802 9.818 -3.958 1.00 0.00 C ATOM 1565 CD1 ILE A 97 0.639 11.828 -2.387 1.00 0.00 C ATOM 0 H ILE A 97 3.060 9.056 -4.133 1.00 0.00 H new ATOM 0 HA ILE A 97 0.950 7.847 -2.786 1.00 0.00 H new ATOM 0 HB ILE A 97 1.191 10.229 -4.574 1.00 0.00 H new ATOM 0 HG12 ILE A 97 0.800 9.828 -1.595 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.250 10.394 -2.402 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -1.096 10.867 -3.931 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -1.067 9.392 -4.926 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -1.321 9.275 -3.168 1.00 0.00 H new ATOM 0 HD11 ILE A 97 0.974 12.293 -1.460 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.021 12.395 -3.236 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -0.451 11.821 -2.416 1.00 0.00 H new ATOM 1577 N GLU A 98 0.719 7.561 -6.048 1.00 0.00 N ATOM 1578 CA GLU A 98 0.065 6.810 -7.106 1.00 0.00 C ATOM 1579 C GLU A 98 0.320 5.312 -6.929 1.00 0.00 C ATOM 1580 O GLU A 98 -0.619 4.520 -6.882 1.00 0.00 O ATOM 1581 CB GLU A 98 0.528 7.287 -8.484 1.00 0.00 C ATOM 1582 CG GLU A 98 -0.651 7.803 -9.310 1.00 0.00 C ATOM 1583 CD GLU A 98 -0.251 7.997 -10.775 1.00 0.00 C ATOM 1584 OE1 GLU A 98 0.582 8.896 -11.021 1.00 0.00 O ATOM 1585 OE2 GLU A 98 -0.788 7.242 -11.614 1.00 0.00 O ATOM 0 H GLU A 98 1.434 8.215 -6.368 1.00 0.00 H new ATOM 0 HA GLU A 98 -1.009 6.986 -7.040 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.270 8.077 -8.369 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.015 6.467 -9.012 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -1.480 7.099 -9.246 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -1.003 8.748 -8.897 1.00 0.00 H new ATOM 1592 N GLU A 99 1.597 4.969 -6.836 1.00 0.00 N ATOM 1593 CA GLU A 99 1.988 3.580 -6.666 1.00 0.00 C ATOM 1594 C GLU A 99 1.206 2.946 -5.513 1.00 0.00 C ATOM 1595 O GLU A 99 0.526 1.939 -5.700 1.00 0.00 O ATOM 1596 CB GLU A 99 3.496 3.459 -6.437 1.00 0.00 C ATOM 1597 CG GLU A 99 4.142 2.570 -7.502 1.00 0.00 C ATOM 1598 CD GLU A 99 5.102 1.562 -6.866 1.00 0.00 C ATOM 1599 OE1 GLU A 99 4.595 0.665 -6.158 1.00 0.00 O ATOM 1600 OE2 GLU A 99 6.320 1.712 -7.102 1.00 0.00 O ATOM 0 H GLU A 99 2.374 5.629 -6.875 1.00 0.00 H new ATOM 0 HA GLU A 99 1.748 3.041 -7.582 1.00 0.00 H new ATOM 0 HB2 GLU A 99 3.952 4.449 -6.459 1.00 0.00 H new ATOM 0 HB3 GLU A 99 3.685 3.043 -5.447 1.00 0.00 H new ATOM 0 HG2 GLU A 99 3.368 2.040 -8.057 1.00 0.00 H new ATOM 0 HG3 GLU A 99 4.681 3.189 -8.219 1.00 0.00 H new ATOM 1607 N ARG A 100 1.331 3.562 -4.347 1.00 0.00 N ATOM 1608 CA ARG A 100 0.644 3.071 -3.164 1.00 0.00 C ATOM 1609 C ARG A 100 -0.867 3.049 -3.398 1.00 0.00 C ATOM 1610 O ARG A 100 -1.516 2.024 -3.193 1.00 0.00 O ATOM 1611 CB ARG A 100 0.952 3.944 -1.946 1.00 0.00 C ATOM 1612 CG ARG A 100 0.804 3.147 -0.648 1.00 0.00 C ATOM 1613 CD ARG A 100 1.636 3.769 0.475 1.00 0.00 C ATOM 1614 NE ARG A 100 2.929 3.060 0.599 1.00 0.00 N ATOM 1615 CZ ARG A 100 3.772 3.210 1.630 1.00 0.00 C ATOM 1616 NH1 ARG A 100 3.463 4.044 2.632 1.00 0.00 N ATOM 1617 NH2 ARG A 100 4.924 2.526 1.658 1.00 0.00 N ATOM 0 H ARG A 100 1.898 4.397 -4.196 1.00 0.00 H new ATOM 0 HA ARG A 100 1.000 2.059 -2.971 1.00 0.00 H new ATOM 0 HB2 ARG A 100 1.966 4.336 -2.022 1.00 0.00 H new ATOM 0 HB3 ARG A 100 0.279 4.801 -1.929 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -0.245 3.116 -0.354 1.00 0.00 H new ATOM 0 HG3 ARG A 100 1.120 2.117 -0.812 1.00 0.00 H new ATOM 0 HD2 ARG A 100 1.809 4.825 0.268 1.00 0.00 H new ATOM 0 HD3 ARG A 100 1.090 3.714 1.417 1.00 0.00 H new ATOM 0 HE ARG A 100 3.195 2.417 -0.147 1.00 0.00 H new ATOM 0 HH11 ARG A 100 2.586 4.565 2.610 1.00 0.00 H new ATOM 0 HH12 ARG A 100 4.105 4.158 3.417 1.00 0.00 H new ATOM 0 HH21 ARG A 100 5.159 1.891 0.895 1.00 0.00 H new ATOM 0 HH22 ARG A 100 5.566 2.640 2.443 1.00 0.00 H new ATOM 1631 N ARG A 101 -1.385 4.191 -3.825 1.00 0.00 N ATOM 1632 CA ARG A 101 -2.808 4.316 -4.089 1.00 0.00 C ATOM 1633 C ARG A 101 -3.286 3.165 -4.977 1.00 0.00 C ATOM 1634 O ARG A 101 -4.045 2.306 -4.530 1.00 0.00 O ATOM 1635 CB ARG A 101 -3.127 5.646 -4.776 1.00 0.00 C ATOM 1636 CG ARG A 101 -4.633 5.804 -4.991 1.00 0.00 C ATOM 1637 CD ARG A 101 -5.050 7.273 -4.891 1.00 0.00 C ATOM 1638 NE ARG A 101 -5.154 7.863 -6.244 1.00 0.00 N ATOM 1639 CZ ARG A 101 -4.119 8.381 -6.920 1.00 0.00 C ATOM 1640 NH1 ARG A 101 -2.895 8.384 -6.372 1.00 0.00 N ATOM 1641 NH2 ARG A 101 -4.306 8.895 -8.143 1.00 0.00 N ATOM 0 H ARG A 101 -0.844 5.039 -3.995 1.00 0.00 H new ATOM 0 HA ARG A 101 -3.327 4.281 -3.131 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -2.754 6.471 -4.170 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -2.612 5.697 -5.735 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -4.908 5.410 -5.970 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -5.174 5.217 -4.248 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -6.007 7.354 -4.376 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -4.322 7.827 -4.299 1.00 0.00 H new ATOM 0 HE ARG A 101 -6.071 7.876 -6.690 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -2.752 7.992 -5.441 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -2.107 8.778 -6.886 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -5.237 8.892 -8.560 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -3.518 9.289 -8.657 1.00 0.00 H new ATOM 1655 N GLN A 102 -2.822 3.184 -6.218 1.00 0.00 N ATOM 1656 CA GLN A 102 -3.192 2.153 -7.171 1.00 0.00 C ATOM 1657 C GLN A 102 -2.867 0.768 -6.608 1.00 0.00 C ATOM 1658 O GLN A 102 -3.688 -0.146 -6.685 1.00 0.00 O ATOM 1659 CB GLN A 102 -2.497 2.374 -8.516 1.00 0.00 C ATOM 1660 CG GLN A 102 -3.133 3.540 -9.276 1.00 0.00 C ATOM 1661 CD GLN A 102 -2.239 3.995 -10.431 1.00 0.00 C ATOM 1662 OE1 GLN A 102 -1.563 3.208 -11.074 1.00 0.00 O ATOM 1663 NE2 GLN A 102 -2.272 5.305 -10.658 1.00 0.00 N ATOM 0 H GLN A 102 -2.193 3.898 -6.585 1.00 0.00 H new ATOM 0 HA GLN A 102 -4.267 2.212 -7.340 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -1.438 2.575 -8.354 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -2.561 1.466 -9.116 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -4.107 3.239 -9.662 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -3.304 4.373 -8.594 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -2.860 5.908 -10.082 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -1.709 5.707 -11.408 1.00 0.00 H new ATOM 1672 N GLY A 103 -1.668 0.655 -6.055 1.00 0.00 N ATOM 1673 CA GLY A 103 -1.225 -0.603 -5.480 1.00 0.00 C ATOM 1674 C GLY A 103 -2.310 -1.212 -4.590 1.00 0.00 C ATOM 1675 O GLY A 103 -2.898 -2.236 -4.934 1.00 0.00 O ATOM 0 H GLY A 103 -0.990 1.414 -5.993 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -0.969 -1.301 -6.277 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -0.319 -0.441 -4.896 1.00 0.00 H new ATOM 1679 N LEU A 104 -2.544 -0.556 -3.463 1.00 0.00 N ATOM 1680 CA LEU A 104 -3.549 -1.019 -2.521 1.00 0.00 C ATOM 1681 C LEU A 104 -4.781 -1.499 -3.292 1.00 0.00 C ATOM 1682 O LEU A 104 -5.220 -2.635 -3.122 1.00 0.00 O ATOM 1683 CB LEU A 104 -3.854 0.065 -1.487 1.00 0.00 C ATOM 1684 CG LEU A 104 -2.755 0.341 -0.459 1.00 0.00 C ATOM 1685 CD1 LEU A 104 -2.957 1.703 0.208 1.00 0.00 C ATOM 1686 CD2 LEU A 104 -2.666 -0.792 0.566 1.00 0.00 C ATOM 0 H LEU A 104 -2.054 0.293 -3.181 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.176 -1.871 -1.953 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.070 0.993 -2.016 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.761 -0.216 -0.952 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.799 0.378 -0.982 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.162 1.874 0.934 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.931 2.486 -0.549 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.922 1.720 0.715 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -1.877 -0.571 1.285 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.618 -0.885 1.089 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -2.439 -1.728 0.055 1.00 0.00 H new ATOM 1698 N GLU A 105 -5.303 -0.609 -4.122 1.00 0.00 N ATOM 1699 CA GLU A 105 -6.476 -0.927 -4.919 1.00 0.00 C ATOM 1700 C GLU A 105 -6.331 -2.316 -5.545 1.00 0.00 C ATOM 1701 O GLU A 105 -7.272 -3.109 -5.530 1.00 0.00 O ATOM 1702 CB GLU A 105 -6.714 0.136 -5.993 1.00 0.00 C ATOM 1703 CG GLU A 105 -8.186 0.174 -6.410 1.00 0.00 C ATOM 1704 CD GLU A 105 -8.327 0.089 -7.931 1.00 0.00 C ATOM 1705 OE1 GLU A 105 -7.755 -0.864 -8.502 1.00 0.00 O ATOM 1706 OE2 GLU A 105 -9.004 0.980 -8.489 1.00 0.00 O ATOM 0 H GLU A 105 -4.936 0.332 -4.260 1.00 0.00 H new ATOM 0 HA GLU A 105 -7.346 -0.934 -4.263 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -6.414 1.113 -5.615 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -6.091 -0.075 -6.862 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -8.721 -0.654 -5.945 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -8.646 1.094 -6.049 1.00 0.00 H new ATOM 1713 N GLN A 106 -5.146 -2.568 -6.080 1.00 0.00 N ATOM 1714 CA GLN A 106 -4.866 -3.848 -6.710 1.00 0.00 C ATOM 1715 C GLN A 106 -4.951 -4.976 -5.680 1.00 0.00 C ATOM 1716 O GLN A 106 -5.704 -5.931 -5.861 1.00 0.00 O ATOM 1717 CB GLN A 106 -3.499 -3.833 -7.397 1.00 0.00 C ATOM 1718 CG GLN A 106 -3.650 -3.753 -8.917 1.00 0.00 C ATOM 1719 CD GLN A 106 -3.348 -5.103 -9.571 1.00 0.00 C ATOM 1720 OE1 GLN A 106 -2.213 -5.439 -9.866 1.00 0.00 O ATOM 1721 NE2 GLN A 106 -4.425 -5.856 -9.779 1.00 0.00 N ATOM 0 H GLN A 106 -4.368 -1.908 -6.091 1.00 0.00 H new ATOM 0 HA GLN A 106 -5.619 -4.026 -7.477 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -2.918 -2.982 -7.040 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -2.944 -4.732 -7.130 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -4.664 -3.442 -9.169 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -2.975 -2.994 -9.313 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -5.347 -5.514 -9.508 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -4.329 -6.776 -10.210 1.00 0.00 H new ATOM 1730 N PHE A 107 -4.167 -4.828 -4.622 1.00 0.00 N ATOM 1731 CA PHE A 107 -4.143 -5.823 -3.563 1.00 0.00 C ATOM 1732 C PHE A 107 -5.561 -6.263 -3.193 1.00 0.00 C ATOM 1733 O PHE A 107 -5.870 -7.454 -3.210 1.00 0.00 O ATOM 1734 CB PHE A 107 -3.492 -5.165 -2.346 1.00 0.00 C ATOM 1735 CG PHE A 107 -3.875 -5.808 -1.011 1.00 0.00 C ATOM 1736 CD1 PHE A 107 -5.006 -5.416 -0.367 1.00 0.00 C ATOM 1737 CD2 PHE A 107 -3.083 -6.773 -0.470 1.00 0.00 C ATOM 1738 CE1 PHE A 107 -5.362 -6.013 0.871 1.00 0.00 C ATOM 1739 CE2 PHE A 107 -3.439 -7.370 0.769 1.00 0.00 C ATOM 1740 CZ PHE A 107 -4.570 -6.978 1.413 1.00 0.00 C ATOM 0 H PHE A 107 -3.544 -4.034 -4.475 1.00 0.00 H new ATOM 0 HA PHE A 107 -3.592 -6.704 -3.892 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -2.409 -5.206 -2.460 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.770 -4.111 -2.323 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -5.634 -4.650 -0.797 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.185 -7.085 -0.982 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -6.261 -5.702 1.382 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -2.811 -8.136 1.199 1.00 0.00 H new ATOM 0 HZ PHE A 107 -4.840 -7.432 2.355 1.00 0.00 H new ATOM 1750 N ILE A 108 -6.386 -5.279 -2.867 1.00 0.00 N ATOM 1751 CA ILE A 108 -7.764 -5.549 -2.493 1.00 0.00 C ATOM 1752 C ILE A 108 -8.520 -6.092 -3.707 1.00 0.00 C ATOM 1753 O ILE A 108 -9.178 -7.128 -3.621 1.00 0.00 O ATOM 1754 CB ILE A 108 -8.405 -4.305 -1.875 1.00 0.00 C ATOM 1755 CG1 ILE A 108 -9.715 -4.658 -1.166 1.00 0.00 C ATOM 1756 CG2 ILE A 108 -8.599 -3.209 -2.925 1.00 0.00 C ATOM 1757 CD1 ILE A 108 -9.447 -5.234 0.225 1.00 0.00 C ATOM 0 H ILE A 108 -6.126 -4.293 -2.854 1.00 0.00 H new ATOM 0 HA ILE A 108 -7.806 -6.317 -1.721 1.00 0.00 H new ATOM 0 HB ILE A 108 -7.726 -3.910 -1.119 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -10.338 -3.768 -1.081 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -10.272 -5.381 -1.762 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -9.056 -2.336 -2.459 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -7.632 -2.932 -3.345 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -9.247 -3.577 -3.720 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -10.394 -5.476 0.707 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -8.844 -6.138 0.135 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -8.911 -4.499 0.826 1.00 0.00 H new ATOM 1769 N ASN A 109 -8.400 -5.369 -4.811 1.00 0.00 N ATOM 1770 CA ASN A 109 -9.064 -5.766 -6.041 1.00 0.00 C ATOM 1771 C ASN A 109 -8.982 -7.286 -6.193 1.00 0.00 C ATOM 1772 O ASN A 109 -9.915 -7.915 -6.689 1.00 0.00 O ATOM 1773 CB ASN A 109 -8.390 -5.132 -7.259 1.00 0.00 C ATOM 1774 CG ASN A 109 -9.245 -3.999 -7.831 1.00 0.00 C ATOM 1775 OD1 ASN A 109 -9.877 -4.125 -8.867 1.00 0.00 O ATOM 1776 ND2 ASN A 109 -9.229 -2.887 -7.101 1.00 0.00 N ATOM 0 H ASN A 109 -7.853 -4.511 -4.879 1.00 0.00 H new ATOM 0 HA ASN A 109 -10.100 -5.433 -5.987 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -7.410 -4.746 -6.977 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -8.226 -5.891 -8.024 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -9.767 -2.074 -7.399 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -8.678 -2.848 -6.243 1.00 0.00 H new ATOM 1783 N LYS A 110 -7.857 -7.832 -5.755 1.00 0.00 N ATOM 1784 CA LYS A 110 -7.641 -9.267 -5.836 1.00 0.00 C ATOM 1785 C LYS A 110 -8.179 -9.931 -4.567 1.00 0.00 C ATOM 1786 O LYS A 110 -9.068 -10.779 -4.635 1.00 0.00 O ATOM 1787 CB LYS A 110 -6.168 -9.572 -6.113 1.00 0.00 C ATOM 1788 CG LYS A 110 -5.737 -10.868 -5.424 1.00 0.00 C ATOM 1789 CD LYS A 110 -4.829 -11.698 -6.334 1.00 0.00 C ATOM 1790 CE LYS A 110 -3.375 -11.232 -6.230 1.00 0.00 C ATOM 1791 NZ LYS A 110 -2.524 -12.312 -5.683 1.00 0.00 N ATOM 0 H LYS A 110 -7.086 -7.307 -5.343 1.00 0.00 H new ATOM 0 HA LYS A 110 -8.193 -9.689 -6.676 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -6.006 -9.656 -7.188 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.550 -8.746 -5.761 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -5.213 -10.634 -4.497 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -6.618 -11.451 -5.154 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -4.898 -12.751 -6.060 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -5.168 -11.615 -7.366 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -3.010 -10.936 -7.214 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -3.314 -10.352 -5.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -1.540 -11.980 -5.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -2.863 -12.575 -4.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -2.569 -13.141 -6.310 1.00 0.00 H new ATOM 1805 N ILE A 111 -7.617 -9.522 -3.439 1.00 0.00 N ATOM 1806 CA ILE A 111 -8.028 -10.067 -2.157 1.00 0.00 C ATOM 1807 C ILE A 111 -9.553 -10.191 -2.126 1.00 0.00 C ATOM 1808 O ILE A 111 -10.094 -11.091 -1.485 1.00 0.00 O ATOM 1809 CB ILE A 111 -7.456 -9.231 -1.011 1.00 0.00 C ATOM 1810 CG1 ILE A 111 -6.799 -10.124 0.044 1.00 0.00 C ATOM 1811 CG2 ILE A 111 -8.528 -8.323 -0.406 1.00 0.00 C ATOM 1812 CD1 ILE A 111 -7.690 -10.257 1.281 1.00 0.00 C ATOM 0 H ILE A 111 -6.880 -8.819 -3.387 1.00 0.00 H new ATOM 0 HA ILE A 111 -7.623 -11.070 -2.022 1.00 0.00 H new ATOM 0 HB ILE A 111 -6.678 -8.584 -1.416 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -6.607 -11.110 -0.378 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -5.834 -9.706 0.330 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -8.095 -7.740 0.406 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -8.909 -7.649 -1.173 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -9.345 -8.932 -0.020 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -7.200 -10.897 2.015 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -7.860 -9.271 1.714 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -8.645 -10.698 0.996 1.00 0.00 H new ATOM 1824 N ALA A 112 -10.204 -9.274 -2.827 1.00 0.00 N ATOM 1825 CA ALA A 112 -11.655 -9.269 -2.888 1.00 0.00 C ATOM 1826 C ALA A 112 -12.138 -10.555 -3.563 1.00 0.00 C ATOM 1827 O ALA A 112 -12.916 -11.310 -2.982 1.00 0.00 O ATOM 1828 CB ALA A 112 -12.132 -8.012 -3.620 1.00 0.00 C ATOM 0 H ALA A 112 -9.752 -8.529 -3.358 1.00 0.00 H new ATOM 0 HA ALA A 112 -12.080 -9.243 -1.885 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -13.221 -8.009 -3.666 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -11.789 -7.127 -3.085 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -11.727 -8.004 -4.632 1.00 0.00 H new ATOM 1834 N GLY A 113 -11.655 -10.764 -4.778 1.00 0.00 N ATOM 1835 CA GLY A 113 -12.027 -11.946 -5.538 1.00 0.00 C ATOM 1836 C GLY A 113 -12.019 -13.193 -4.651 1.00 0.00 C ATOM 1837 O GLY A 113 -12.856 -14.079 -4.813 1.00 0.00 O ATOM 0 H GLY A 113 -11.009 -10.135 -5.256 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -13.019 -11.808 -5.969 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -11.334 -12.082 -6.369 1.00 0.00 H new ATOM 1841 N HIS A 114 -11.063 -13.221 -3.734 1.00 0.00 N ATOM 1842 CA HIS A 114 -10.935 -14.344 -2.821 1.00 0.00 C ATOM 1843 C HIS A 114 -12.275 -14.597 -2.127 1.00 0.00 C ATOM 1844 O HIS A 114 -12.855 -13.686 -1.538 1.00 0.00 O ATOM 1845 CB HIS A 114 -9.790 -14.114 -1.833 1.00 0.00 C ATOM 1846 CG HIS A 114 -9.090 -15.379 -1.399 1.00 0.00 C ATOM 1847 ND1 HIS A 114 -8.013 -16.029 -1.928 1.00 0.00 N flip ATOM 1848 CD2 HIS A 114 -9.490 -16.118 -0.299 1.00 0.00 C flip ATOM 1849 CE1 HIS A 114 -7.768 -17.105 -1.190 1.00 0.00 C flip ATOM 1850 NE2 HIS A 114 -8.683 -17.162 -0.180 1.00 0.00 N flip ATOM 0 H HIS A 114 -10.370 -12.484 -3.604 1.00 0.00 H new ATOM 0 HA HIS A 114 -10.679 -15.244 -3.380 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -9.060 -13.445 -2.288 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -10.181 -13.607 -0.951 1.00 0.00 H new ATOM 0 HD1 HIS A 114 -7.486 -15.738 -2.751 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -10.319 -15.883 0.352 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -6.975 -17.818 -1.361 1.00 0.00 H new ATOM 1858 N PRO A 115 -12.740 -15.872 -2.222 1.00 0.00 N ATOM 1859 CA PRO A 115 -14.001 -16.256 -1.611 1.00 0.00 C ATOM 1860 C PRO A 115 -13.857 -16.385 -0.093 1.00 0.00 C ATOM 1861 O PRO A 115 -14.774 -16.042 0.652 1.00 0.00 O ATOM 1862 CB PRO A 115 -14.383 -17.564 -2.284 1.00 0.00 C ATOM 1863 CG PRO A 115 -13.104 -18.100 -2.908 1.00 0.00 C ATOM 1864 CD PRO A 115 -12.081 -16.976 -2.912 1.00 0.00 C ATOM 0 HA PRO A 115 -14.782 -15.508 -1.752 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -14.791 -18.271 -1.561 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -15.150 -17.404 -3.042 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -12.731 -18.953 -2.341 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -13.292 -18.449 -3.923 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -11.165 -17.272 -2.400 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -11.803 -16.698 -3.928 1.00 0.00 H new ATOM 1872 N LEU A 116 -12.700 -16.880 0.320 1.00 0.00 N ATOM 1873 CA LEU A 116 -12.424 -17.058 1.735 1.00 0.00 C ATOM 1874 C LEU A 116 -12.396 -15.691 2.421 1.00 0.00 C ATOM 1875 O LEU A 116 -12.668 -15.586 3.616 1.00 0.00 O ATOM 1876 CB LEU A 116 -11.144 -17.872 1.934 1.00 0.00 C ATOM 1877 CG LEU A 116 -10.995 -19.113 1.050 1.00 0.00 C ATOM 1878 CD1 LEU A 116 -9.975 -20.088 1.642 1.00 0.00 C ATOM 1879 CD2 LEU A 116 -12.350 -19.779 0.807 1.00 0.00 C ATOM 0 H LEU A 116 -11.942 -17.164 -0.301 1.00 0.00 H new ATOM 0 HA LEU A 116 -13.218 -17.636 2.207 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -10.290 -17.219 1.756 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -11.094 -18.185 2.977 1.00 0.00 H new ATOM 0 HG LEU A 116 -10.613 -18.797 0.079 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -9.888 -20.961 0.995 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -9.005 -19.597 1.721 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -10.304 -20.402 2.633 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -12.216 -20.658 0.176 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -12.784 -20.080 1.761 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -13.018 -19.075 0.311 1.00 0.00 H new ATOM 1891 N ALA A 117 -12.064 -14.677 1.636 1.00 0.00 N ATOM 1892 CA ALA A 117 -11.996 -13.321 2.152 1.00 0.00 C ATOM 1893 C ALA A 117 -13.388 -12.688 2.096 1.00 0.00 C ATOM 1894 O ALA A 117 -13.791 -11.982 3.019 1.00 0.00 O ATOM 1895 CB ALA A 117 -10.960 -12.523 1.358 1.00 0.00 C ATOM 0 H ALA A 117 -11.839 -14.768 0.645 1.00 0.00 H new ATOM 0 HA ALA A 117 -11.676 -13.323 3.194 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -10.909 -11.506 1.746 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -9.983 -12.997 1.455 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -11.248 -12.497 0.307 1.00 0.00 H new ATOM 1901 N GLN A 118 -14.085 -12.965 1.003 1.00 0.00 N ATOM 1902 CA GLN A 118 -15.423 -12.431 0.814 1.00 0.00 C ATOM 1903 C GLN A 118 -16.296 -12.745 2.031 1.00 0.00 C ATOM 1904 O GLN A 118 -17.264 -12.037 2.304 1.00 0.00 O ATOM 1905 CB GLN A 118 -16.055 -12.976 -0.468 1.00 0.00 C ATOM 1906 CG GLN A 118 -15.570 -12.196 -1.692 1.00 0.00 C ATOM 1907 CD GLN A 118 -16.156 -12.778 -2.980 1.00 0.00 C ATOM 1908 OE1 GLN A 118 -17.047 -13.611 -2.967 1.00 0.00 O ATOM 1909 NE2 GLN A 118 -15.606 -12.295 -4.091 1.00 0.00 N ATOM 0 H GLN A 118 -13.748 -13.552 0.240 1.00 0.00 H new ATOM 0 HA GLN A 118 -15.350 -11.348 0.712 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -15.804 -14.031 -0.582 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -17.141 -12.912 -0.398 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -15.858 -11.149 -1.598 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -14.481 -12.225 -1.738 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -14.863 -11.599 -4.031 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -15.927 -12.621 -5.003 1.00 0.00 H new ATOM 1918 N ASN A 119 -15.923 -13.807 2.730 1.00 0.00 N ATOM 1919 CA ASN A 119 -16.660 -14.223 3.911 1.00 0.00 C ATOM 1920 C ASN A 119 -16.077 -13.526 5.142 1.00 0.00 C ATOM 1921 O ASN A 119 -16.819 -13.073 6.012 1.00 0.00 O ATOM 1922 CB ASN A 119 -16.548 -15.734 4.126 1.00 0.00 C ATOM 1923 CG ASN A 119 -17.461 -16.194 5.264 1.00 0.00 C ATOM 1924 OD1 ASN A 119 -17.129 -16.106 6.435 1.00 0.00 O ATOM 1925 ND2 ASN A 119 -18.626 -16.690 4.857 1.00 0.00 N ATOM 0 H ASN A 119 -15.120 -14.392 2.501 1.00 0.00 H new ATOM 0 HA ASN A 119 -17.707 -13.956 3.767 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -16.814 -16.257 3.207 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -15.515 -15.997 4.354 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -19.304 -17.025 5.541 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -18.841 -16.735 3.861 1.00 0.00 H new ATOM 1932 N GLU A 120 -14.754 -13.461 5.175 1.00 0.00 N ATOM 1933 CA GLU A 120 -14.064 -12.827 6.285 1.00 0.00 C ATOM 1934 C GLU A 120 -14.812 -11.567 6.726 1.00 0.00 C ATOM 1935 O GLU A 120 -15.246 -10.774 5.891 1.00 0.00 O ATOM 1936 CB GLU A 120 -12.615 -12.502 5.915 1.00 0.00 C ATOM 1937 CG GLU A 120 -11.720 -13.734 6.070 1.00 0.00 C ATOM 1938 CD GLU A 120 -11.580 -14.128 7.541 1.00 0.00 C ATOM 1939 OE1 GLU A 120 -11.026 -13.303 8.300 1.00 0.00 O ATOM 1940 OE2 GLU A 120 -12.030 -15.246 7.875 1.00 0.00 O ATOM 0 H GLU A 120 -14.142 -13.837 4.451 1.00 0.00 H new ATOM 0 HA GLU A 120 -14.044 -13.526 7.122 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -12.570 -12.143 4.887 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -12.245 -11.697 6.550 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -12.140 -14.566 5.505 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -10.736 -13.528 5.650 1.00 0.00 H new ATOM 1947 N ARG A 121 -14.942 -11.423 8.036 1.00 0.00 N ATOM 1948 CA ARG A 121 -15.631 -10.274 8.598 1.00 0.00 C ATOM 1949 C ARG A 121 -14.719 -9.045 8.577 1.00 0.00 C ATOM 1950 O ARG A 121 -15.196 -7.912 8.616 1.00 0.00 O ATOM 1951 CB ARG A 121 -16.074 -10.546 10.037 1.00 0.00 C ATOM 1952 CG ARG A 121 -17.592 -10.417 10.177 1.00 0.00 C ATOM 1953 CD ARG A 121 -18.298 -11.674 9.666 1.00 0.00 C ATOM 1954 NE ARG A 121 -19.636 -11.791 10.287 1.00 0.00 N ATOM 1955 CZ ARG A 121 -20.628 -12.548 9.799 1.00 0.00 C ATOM 1956 NH1 ARG A 121 -20.438 -13.261 8.681 1.00 0.00 N ATOM 1957 NH2 ARG A 121 -21.810 -12.593 10.430 1.00 0.00 N ATOM 0 H ARG A 121 -14.582 -12.083 8.725 1.00 0.00 H new ATOM 0 HA ARG A 121 -16.514 -10.087 7.987 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -15.762 -11.547 10.334 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -15.582 -9.845 10.711 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -17.851 -10.249 11.222 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -17.940 -9.548 9.619 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -18.394 -11.631 8.581 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -17.702 -12.556 9.899 1.00 0.00 H new ATOM 0 HE ARG A 121 -19.814 -11.262 11.141 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -19.538 -13.228 8.201 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -21.193 -13.837 8.309 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -21.954 -12.051 11.282 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -22.565 -13.169 10.058 1.00 0.00 H new ATOM 1971 N CYS A 122 -13.422 -9.311 8.514 1.00 0.00 N ATOM 1972 CA CYS A 122 -12.439 -8.242 8.487 1.00 0.00 C ATOM 1973 C CYS A 122 -12.639 -7.438 7.201 1.00 0.00 C ATOM 1974 O CYS A 122 -12.851 -6.228 7.248 1.00 0.00 O ATOM 1975 CB CYS A 122 -11.012 -8.782 8.607 1.00 0.00 C ATOM 1976 SG CYS A 122 -9.811 -7.406 8.490 1.00 0.00 S ATOM 0 H CYS A 122 -13.030 -10.252 8.481 1.00 0.00 H new ATOM 0 HA CYS A 122 -12.584 -7.590 9.348 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -10.890 -9.303 9.557 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -10.822 -9.510 7.818 1.00 0.00 H new ATOM 0 HG CYS A 122 -9.976 -6.599 9.496 1.00 0.00 H new ATOM 1982 N LEU A 123 -12.563 -8.144 6.082 1.00 0.00 N ATOM 1983 CA LEU A 123 -12.733 -7.512 4.785 1.00 0.00 C ATOM 1984 C LEU A 123 -14.037 -6.712 4.779 1.00 0.00 C ATOM 1985 O LEU A 123 -14.031 -5.509 4.524 1.00 0.00 O ATOM 1986 CB LEU A 123 -12.644 -8.552 3.666 1.00 0.00 C ATOM 1987 CG LEU A 123 -12.945 -8.045 2.254 1.00 0.00 C ATOM 1988 CD1 LEU A 123 -11.667 -7.580 1.554 1.00 0.00 C ATOM 1989 CD2 LEU A 123 -13.693 -9.103 1.440 1.00 0.00 C ATOM 0 H LEU A 123 -12.386 -9.148 6.047 1.00 0.00 H new ATOM 0 HA LEU A 123 -11.925 -6.806 4.597 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -11.641 -8.978 3.672 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -13.336 -9.363 3.895 1.00 0.00 H new ATOM 0 HG LEU A 123 -13.601 -7.178 2.335 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -11.909 -7.225 0.552 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -11.213 -6.771 2.126 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -10.967 -8.413 1.484 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -13.895 -8.718 0.441 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -13.083 -10.003 1.365 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -14.635 -9.343 1.933 1.00 0.00 H new ATOM 2001 N HIS A 124 -15.125 -7.413 5.064 1.00 0.00 N ATOM 2002 CA HIS A 124 -16.434 -6.784 5.095 1.00 0.00 C ATOM 2003 C HIS A 124 -16.341 -5.441 5.823 1.00 0.00 C ATOM 2004 O HIS A 124 -16.704 -4.404 5.269 1.00 0.00 O ATOM 2005 CB HIS A 124 -17.474 -7.722 5.711 1.00 0.00 C ATOM 2006 CG HIS A 124 -18.162 -8.619 4.710 1.00 0.00 C ATOM 2007 ND1 HIS A 124 -19.122 -8.158 3.826 1.00 0.00 N ATOM 2008 CD2 HIS A 124 -18.018 -9.953 4.462 1.00 0.00 C ATOM 2009 CE1 HIS A 124 -19.531 -9.177 3.085 1.00 0.00 C ATOM 2010 NE2 HIS A 124 -18.846 -10.288 3.481 1.00 0.00 N ATOM 0 H HIS A 124 -15.126 -8.411 5.276 1.00 0.00 H new ATOM 0 HA HIS A 124 -16.769 -6.584 4.077 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -16.988 -8.342 6.465 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -18.227 -7.125 6.226 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -17.345 -10.622 4.977 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -20.276 -9.135 2.304 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -18.953 -11.223 3.088 1.00 0.00 H new ATOM 2018 N MET A 125 -15.853 -5.504 7.053 1.00 0.00 N ATOM 2019 CA MET A 125 -15.707 -4.306 7.862 1.00 0.00 C ATOM 2020 C MET A 125 -14.820 -3.275 7.162 1.00 0.00 C ATOM 2021 O MET A 125 -15.217 -2.123 6.992 1.00 0.00 O ATOM 2022 CB MET A 125 -15.092 -4.675 9.214 1.00 0.00 C ATOM 2023 CG MET A 125 -15.751 -3.889 10.349 1.00 0.00 C ATOM 2024 SD MET A 125 -14.501 -3.148 11.385 1.00 0.00 S ATOM 2025 CE MET A 125 -13.711 -4.619 12.018 1.00 0.00 C ATOM 0 H MET A 125 -15.554 -6.366 7.509 1.00 0.00 H new ATOM 0 HA MET A 125 -16.694 -3.867 8.009 1.00 0.00 H new ATOM 0 HB2 MET A 125 -15.209 -5.744 9.391 1.00 0.00 H new ATOM 0 HB3 MET A 125 -14.022 -4.470 9.199 1.00 0.00 H new ATOM 0 HG2 MET A 125 -16.400 -3.115 9.938 1.00 0.00 H new ATOM 0 HG3 MET A 125 -16.381 -4.551 10.943 1.00 0.00 H new ATOM 0 HE1 MET A 125 -13.147 -4.371 12.917 1.00 0.00 H new ATOM 0 HE2 MET A 125 -14.469 -5.364 12.259 1.00 0.00 H new ATOM 0 HE3 MET A 125 -13.034 -5.021 11.265 1.00 0.00 H new ATOM 2035 N PHE A 126 -13.636 -3.726 6.774 1.00 0.00 N ATOM 2036 CA PHE A 126 -12.690 -2.857 6.095 1.00 0.00 C ATOM 2037 C PHE A 126 -13.409 -1.908 5.134 1.00 0.00 C ATOM 2038 O PHE A 126 -13.103 -0.717 5.088 1.00 0.00 O ATOM 2039 CB PHE A 126 -11.749 -3.759 5.294 1.00 0.00 C ATOM 2040 CG PHE A 126 -10.479 -3.059 4.808 1.00 0.00 C ATOM 2041 CD1 PHE A 126 -9.413 -2.928 5.642 1.00 0.00 C ATOM 2042 CD2 PHE A 126 -10.416 -2.566 3.542 1.00 0.00 C ATOM 2043 CE1 PHE A 126 -8.234 -2.278 5.191 1.00 0.00 C ATOM 2044 CE2 PHE A 126 -9.237 -1.916 3.091 1.00 0.00 C ATOM 2045 CZ PHE A 126 -8.171 -1.785 3.925 1.00 0.00 C ATOM 0 H PHE A 126 -13.310 -4.682 6.917 1.00 0.00 H new ATOM 0 HA PHE A 126 -12.151 -2.252 6.824 1.00 0.00 H new ATOM 0 HB2 PHE A 126 -11.468 -4.612 5.911 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -12.287 -4.153 4.432 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -9.463 -3.318 6.648 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -11.263 -2.669 2.880 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -7.387 -2.175 5.853 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -9.187 -1.526 2.085 1.00 0.00 H new ATOM 0 HZ PHE A 126 -7.275 -1.290 3.582 1.00 0.00 H new ATOM 2055 N LEU A 127 -14.351 -2.471 4.391 1.00 0.00 N ATOM 2056 CA LEU A 127 -15.115 -1.689 3.434 1.00 0.00 C ATOM 2057 C LEU A 127 -16.507 -1.411 4.006 1.00 0.00 C ATOM 2058 O LEU A 127 -16.921 -2.042 4.977 1.00 0.00 O ATOM 2059 CB LEU A 127 -15.138 -2.384 2.072 1.00 0.00 C ATOM 2060 CG LEU A 127 -13.802 -2.949 1.584 1.00 0.00 C ATOM 2061 CD1 LEU A 127 -14.008 -4.247 0.802 1.00 0.00 C ATOM 2062 CD2 LEU A 127 -13.030 -1.907 0.773 1.00 0.00 C ATOM 0 H LEU A 127 -14.602 -3.459 4.433 1.00 0.00 H new ATOM 0 HA LEU A 127 -14.640 -0.723 3.265 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -15.861 -3.199 2.114 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -15.502 -1.673 1.330 1.00 0.00 H new ATOM 0 HG LEU A 127 -13.195 -3.192 2.456 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -13.043 -4.627 0.467 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -14.486 -4.987 1.444 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -14.642 -4.054 -0.063 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -12.085 -2.334 0.438 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -13.621 -1.609 -0.093 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -12.834 -1.034 1.395 1.00 0.00 H new ATOM 2074 N GLN A 128 -17.191 -0.465 3.379 1.00 0.00 N ATOM 2075 CA GLN A 128 -18.527 -0.095 3.813 1.00 0.00 C ATOM 2076 C GLN A 128 -18.455 0.783 5.064 1.00 0.00 C ATOM 2077 O GLN A 128 -19.002 1.885 5.085 1.00 0.00 O ATOM 2078 CB GLN A 128 -19.385 -1.337 4.064 1.00 0.00 C ATOM 2079 CG GLN A 128 -19.234 -2.347 2.925 1.00 0.00 C ATOM 2080 CD GLN A 128 -20.139 -3.561 3.145 1.00 0.00 C ATOM 2081 OE1 GLN A 128 -20.054 -4.259 4.142 1.00 0.00 O ATOM 2082 NE2 GLN A 128 -21.008 -3.774 2.161 1.00 0.00 N ATOM 0 H GLN A 128 -16.845 0.056 2.574 1.00 0.00 H new ATOM 0 HA GLN A 128 -19.001 0.479 3.017 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -19.094 -1.800 5.007 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -20.431 -1.047 4.161 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -19.483 -1.871 1.977 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -18.195 -2.671 2.857 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -21.027 -3.151 1.353 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -21.656 -4.560 2.214 1.00 0.00 H new ATOM 2091 N GLU A 129 -17.776 0.263 6.075 1.00 0.00 N ATOM 2092 CA GLU A 129 -17.625 0.986 7.326 1.00 0.00 C ATOM 2093 C GLU A 129 -16.486 2.001 7.219 1.00 0.00 C ATOM 2094 O GLU A 129 -15.530 1.790 6.474 1.00 0.00 O ATOM 2095 CB GLU A 129 -17.392 0.022 8.492 1.00 0.00 C ATOM 2096 CG GLU A 129 -18.677 -0.728 8.848 1.00 0.00 C ATOM 2097 CD GLU A 129 -19.306 -0.164 10.124 1.00 0.00 C ATOM 2098 OE1 GLU A 129 -18.791 -0.507 11.210 1.00 0.00 O ATOM 2099 OE2 GLU A 129 -20.287 0.598 9.984 1.00 0.00 O ATOM 0 H GLU A 129 -17.324 -0.651 6.054 1.00 0.00 H new ATOM 0 HA GLU A 129 -18.550 1.527 7.524 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -16.611 -0.692 8.228 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -17.037 0.576 9.361 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -19.387 -0.652 8.024 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -18.458 -1.787 8.984 1.00 0.00 H new ATOM 2106 N GLU A 130 -16.625 3.081 7.973 1.00 0.00 N ATOM 2107 CA GLU A 130 -15.619 4.130 7.972 1.00 0.00 C ATOM 2108 C GLU A 130 -14.500 3.793 8.960 1.00 0.00 C ATOM 2109 O GLU A 130 -13.339 3.678 8.572 1.00 0.00 O ATOM 2110 CB GLU A 130 -16.244 5.489 8.294 1.00 0.00 C ATOM 2111 CG GLU A 130 -15.164 6.549 8.519 1.00 0.00 C ATOM 2112 CD GLU A 130 -14.460 6.903 7.207 1.00 0.00 C ATOM 2113 OE1 GLU A 130 -15.186 7.242 6.248 1.00 0.00 O ATOM 2114 OE2 GLU A 130 -13.213 6.827 7.194 1.00 0.00 O ATOM 0 H GLU A 130 -17.419 3.253 8.589 1.00 0.00 H new ATOM 0 HA GLU A 130 -15.188 4.193 6.973 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -16.896 5.797 7.476 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -16.867 5.405 9.184 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -15.613 7.445 8.948 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -14.434 6.182 9.240 1.00 0.00 H new ATOM 2121 N ALA A 131 -14.889 3.646 10.218 1.00 0.00 N ATOM 2122 CA ALA A 131 -13.933 3.325 11.264 1.00 0.00 C ATOM 2123 C ALA A 131 -13.999 1.827 11.567 1.00 0.00 C ATOM 2124 O ALA A 131 -15.069 1.295 11.860 1.00 0.00 O ATOM 2125 CB ALA A 131 -14.220 4.182 12.498 1.00 0.00 C ATOM 0 H ALA A 131 -15.853 3.743 10.536 1.00 0.00 H new ATOM 0 HA ALA A 131 -12.918 3.551 10.938 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -13.503 3.941 13.283 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -14.132 5.237 12.237 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -15.230 3.980 12.855 1.00 0.00 H new ATOM 2131 N ILE A 132 -12.841 1.188 11.485 1.00 0.00 N ATOM 2132 CA ILE A 132 -12.754 -0.239 11.746 1.00 0.00 C ATOM 2133 C ILE A 132 -12.676 -0.473 13.256 1.00 0.00 C ATOM 2134 O ILE A 132 -11.700 -0.086 13.898 1.00 0.00 O ATOM 2135 CB ILE A 132 -11.590 -0.856 10.968 1.00 0.00 C ATOM 2136 CG1 ILE A 132 -11.972 -1.091 9.505 1.00 0.00 C ATOM 2137 CG2 ILE A 132 -11.096 -2.137 11.643 1.00 0.00 C ATOM 2138 CD1 ILE A 132 -10.742 -1.446 8.667 1.00 0.00 C ATOM 0 H ILE A 132 -11.956 1.632 11.242 1.00 0.00 H new ATOM 0 HA ILE A 132 -13.650 -0.747 11.390 1.00 0.00 H new ATOM 0 HB ILE A 132 -10.761 -0.148 10.976 1.00 0.00 H new ATOM 0 HG12 ILE A 132 -12.704 -1.896 9.441 1.00 0.00 H new ATOM 0 HG13 ILE A 132 -12.446 -0.196 9.101 1.00 0.00 H new ATOM 0 HG21 ILE A 132 -10.269 -2.555 11.069 1.00 0.00 H new ATOM 0 HG22 ILE A 132 -10.758 -1.909 12.654 1.00 0.00 H new ATOM 0 HG23 ILE A 132 -11.909 -2.862 11.687 1.00 0.00 H new ATOM 0 HD11 ILE A 132 -11.042 -1.608 7.632 1.00 0.00 H new ATOM 0 HD12 ILE A 132 -10.022 -0.629 8.713 1.00 0.00 H new ATOM 0 HD13 ILE A 132 -10.285 -2.355 9.059 1.00 0.00 H new ATOM 2150 N ASP A 133 -13.717 -1.103 13.780 1.00 0.00 N ATOM 2151 CA ASP A 133 -13.778 -1.393 15.202 1.00 0.00 C ATOM 2152 C ASP A 133 -12.793 -2.515 15.533 1.00 0.00 C ATOM 2153 O ASP A 133 -13.198 -3.652 15.772 1.00 0.00 O ATOM 2154 CB ASP A 133 -15.178 -1.858 15.610 1.00 0.00 C ATOM 2155 CG ASP A 133 -16.307 -0.882 15.271 1.00 0.00 C ATOM 2156 OD1 ASP A 133 -16.502 -0.638 14.061 1.00 0.00 O ATOM 2157 OD2 ASP A 133 -16.950 -0.403 16.231 1.00 0.00 O ATOM 0 H ASP A 133 -14.525 -1.421 13.245 1.00 0.00 H new ATOM 0 HA ASP A 133 -13.529 -0.480 15.743 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -15.384 -2.812 15.124 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -15.185 -2.040 16.685 1.00 0.00 H new ATOM 2162 N ARG A 134 -11.517 -2.157 15.536 1.00 0.00 N ATOM 2163 CA ARG A 134 -10.470 -3.120 15.834 1.00 0.00 C ATOM 2164 C ARG A 134 -10.924 -4.072 16.943 1.00 0.00 C ATOM 2165 O ARG A 134 -11.716 -3.694 17.804 1.00 0.00 O ATOM 2166 CB ARG A 134 -9.183 -2.417 16.269 1.00 0.00 C ATOM 2167 CG ARG A 134 -8.297 -2.099 15.064 1.00 0.00 C ATOM 2168 CD ARG A 134 -7.649 -0.721 15.207 1.00 0.00 C ATOM 2169 NE ARG A 134 -6.842 -0.668 16.447 1.00 0.00 N ATOM 2170 CZ ARG A 134 -6.316 0.456 16.953 1.00 0.00 C ATOM 2171 NH1 ARG A 134 -6.509 1.626 16.329 1.00 0.00 N ATOM 2172 NH2 ARG A 134 -5.597 0.409 18.083 1.00 0.00 N ATOM 0 H ARG A 134 -11.185 -1.213 15.337 1.00 0.00 H new ATOM 0 HA ARG A 134 -10.271 -3.686 14.924 1.00 0.00 H new ATOM 0 HB2 ARG A 134 -9.429 -1.496 16.797 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -8.637 -3.050 16.969 1.00 0.00 H new ATOM 0 HG2 ARG A 134 -7.523 -2.860 14.967 1.00 0.00 H new ATOM 0 HG3 ARG A 134 -8.893 -2.132 14.152 1.00 0.00 H new ATOM 0 HD2 ARG A 134 -7.017 -0.516 14.343 1.00 0.00 H new ATOM 0 HD3 ARG A 134 -8.418 0.051 15.230 1.00 0.00 H new ATOM 0 HE ARG A 134 -6.676 -1.541 16.947 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -7.056 1.661 15.469 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -6.109 2.481 16.714 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -5.450 -0.482 18.557 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -5.196 1.264 18.469 1.00 0.00 H new