USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 729 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 ASN : amide:sc= -0.0299 X(o=-0.03,f=-0.45) USER MOD Set 1.2: A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=-0.0048) USER MOD Single : A 11 HIS : no HD1:sc= -0.355 X(o=-0.35,f=0.072) USER MOD Single : A 21 GLN : amide:sc= -0.517 X(o=-0.52,f=-1) USER MOD Single : A 24 ASN : amide:sc= -1.65 K(o=-1.7,f=-0.019) USER MOD Single : A 26 HIS : no HD1:sc=-0.00841 K(o=-0.0084,f=-1.3) USER MOD Single : A 29 TYR OH : rot -44:sc= 1.55 USER MOD Single : A 33 GLN : amide:sc= -1.01 X(o=-1,f=-0.66) USER MOD Single : A 34 ASN : amide:sc= -3.55! C(o=-3.6!,f=-2.3!) USER MOD Single : A 37 SER OG : rot -37:sc= 0.366 USER MOD Single : A 40 TYR OH : rot 180:sc= -0.443 USER MOD Single : A 42 HIS : no HE2:sc= -0.252 K(o=-0.25,f=-1.2) USER MOD Single : A 45 MET CE :methyl -138:sc= -1.07 (180deg=-1.88!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.497 USER MOD Single : A 70 SER OG : rot 180:sc= 0.0389 USER MOD Single : A 73 THR OG1 : rot 99:sc= 0.764 USER MOD Single : A 77 GLN : amide:sc= -0.012 K(o=-0.012,f=-1.4) USER MOD Single : A 78 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0552) USER MOD Single : A 79 HIS : no HE2:sc= -1.82 K(o=-1.8,f=-0.63) USER MOD Single : A 98 MET CE :methyl -159:sc= -0.125 (180deg=-0.626) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 62 N PHE A 5 -7.062 9.139 -2.613 1.00 0.00 N ATOM 63 CA PHE A 5 -5.791 8.987 -1.898 1.00 0.00 C ATOM 64 C PHE A 5 -5.561 10.161 -0.934 1.00 0.00 C ATOM 65 O PHE A 5 -5.886 11.314 -1.241 1.00 0.00 O ATOM 66 CB PHE A 5 -4.633 8.881 -2.926 1.00 0.00 C ATOM 67 CG PHE A 5 -3.240 8.713 -2.315 1.00 0.00 C ATOM 68 CD1 PHE A 5 -2.844 7.495 -1.760 1.00 0.00 C ATOM 69 CD2 PHE A 5 -2.329 9.771 -2.292 1.00 0.00 C ATOM 70 CE1 PHE A 5 -1.589 7.344 -1.205 1.00 0.00 C ATOM 71 CE2 PHE A 5 -1.078 9.616 -1.737 1.00 0.00 C ATOM 72 CZ PHE A 5 -0.706 8.404 -1.195 1.00 0.00 C ATOM 0 HA PHE A 5 -5.824 8.075 -1.302 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -4.829 8.035 -3.585 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -4.635 9.777 -3.547 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.528 6.660 -1.765 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -2.609 10.724 -2.715 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -1.298 6.395 -0.778 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.387 10.446 -1.726 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.276 8.284 -0.763 1.00 0.00 H new ATOM 82 N GLU A 6 -5.007 9.830 0.231 1.00 0.00 N ATOM 83 CA GLU A 6 -4.566 10.779 1.256 1.00 0.00 C ATOM 84 C GLU A 6 -3.297 10.208 1.936 1.00 0.00 C ATOM 85 O GLU A 6 -3.068 8.987 1.876 1.00 0.00 O ATOM 86 CB GLU A 6 -5.716 11.018 2.287 1.00 0.00 C ATOM 87 CG GLU A 6 -6.278 9.734 2.930 1.00 0.00 C ATOM 88 CD GLU A 6 -7.457 9.980 3.878 1.00 0.00 C ATOM 89 OE1 GLU A 6 -8.575 10.250 3.388 1.00 0.00 O ATOM 90 OE2 GLU A 6 -7.281 9.898 5.110 1.00 0.00 O ATOM 0 H GLU A 6 -4.846 8.859 0.498 1.00 0.00 H new ATOM 0 HA GLU A 6 -4.323 11.744 0.810 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -5.348 11.673 3.077 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -6.529 11.545 1.789 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -6.595 9.053 2.141 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -5.480 9.235 3.480 1.00 0.00 H new ATOM 97 N PRO A 7 -2.420 11.064 2.548 1.00 0.00 N ATOM 98 CA PRO A 7 -1.251 10.577 3.316 1.00 0.00 C ATOM 99 C PRO A 7 -1.689 9.693 4.514 1.00 0.00 C ATOM 100 O PRO A 7 -2.247 10.195 5.501 1.00 0.00 O ATOM 101 CB PRO A 7 -0.535 11.880 3.779 1.00 0.00 C ATOM 102 CG PRO A 7 -1.034 12.937 2.836 1.00 0.00 C ATOM 103 CD PRO A 7 -2.458 12.548 2.506 1.00 0.00 C ATOM 0 HA PRO A 7 -0.595 9.938 2.725 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -0.781 12.122 4.813 1.00 0.00 H new ATOM 0 HB3 PRO A 7 0.549 11.779 3.724 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -0.994 13.924 3.297 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -0.421 12.980 1.936 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -3.165 12.954 3.230 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -2.759 12.916 1.525 1.00 0.00 H new ATOM 111 N GLY A 8 -1.488 8.371 4.373 1.00 0.00 N ATOM 112 CA GLY A 8 -1.805 7.389 5.424 1.00 0.00 C ATOM 113 C GLY A 8 -2.884 6.388 5.009 1.00 0.00 C ATOM 114 O GLY A 8 -2.973 5.295 5.586 1.00 0.00 O ATOM 0 H GLY A 8 -1.101 7.953 3.527 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.898 6.846 5.690 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -2.134 7.918 6.319 1.00 0.00 H new ATOM 118 N HIS A 9 -3.698 6.738 3.989 1.00 0.00 N ATOM 119 CA HIS A 9 -4.843 5.901 3.568 1.00 0.00 C ATOM 120 C HIS A 9 -5.183 6.112 2.075 1.00 0.00 C ATOM 121 O HIS A 9 -5.080 7.207 1.550 1.00 0.00 O ATOM 122 CB HIS A 9 -6.071 6.219 4.464 1.00 0.00 C ATOM 123 CG HIS A 9 -7.283 5.358 4.206 1.00 0.00 C ATOM 124 ND1 HIS A 9 -8.453 5.839 3.676 1.00 0.00 N ATOM 125 CD2 HIS A 9 -7.501 4.040 4.435 1.00 0.00 C ATOM 126 CE1 HIS A 9 -9.326 4.863 3.586 1.00 0.00 C ATOM 127 NE2 HIS A 9 -8.778 3.757 4.040 1.00 0.00 N ATOM 0 H HIS A 9 -3.584 7.592 3.443 1.00 0.00 H new ATOM 0 HA HIS A 9 -4.569 4.853 3.689 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -5.779 6.108 5.508 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -6.347 7.263 4.320 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -6.793 3.340 4.854 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -10.331 4.953 3.202 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -9.229 2.844 4.089 1.00 0.00 H new ATOM 136 N LEU A 10 -5.587 5.033 1.412 1.00 0.00 N ATOM 137 CA LEU A 10 -6.034 5.016 0.013 1.00 0.00 C ATOM 138 C LEU A 10 -7.387 4.289 -0.052 1.00 0.00 C ATOM 139 O LEU A 10 -7.606 3.325 0.680 1.00 0.00 O ATOM 140 CB LEU A 10 -4.958 4.304 -0.855 1.00 0.00 C ATOM 141 CG LEU A 10 -5.320 4.005 -2.347 1.00 0.00 C ATOM 142 CD1 LEU A 10 -5.697 5.285 -3.126 1.00 0.00 C ATOM 143 CD2 LEU A 10 -4.161 3.250 -3.040 1.00 0.00 C ATOM 0 H LEU A 10 -5.615 4.110 1.845 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.162 6.027 -0.374 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.056 4.916 -0.843 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.708 3.359 -0.373 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.204 3.367 -2.349 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.940 5.026 -4.156 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.561 5.755 -2.657 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.856 5.978 -3.115 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.427 3.049 -4.078 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.259 3.861 -3.009 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.980 2.308 -2.523 1.00 0.00 H new ATOM 155 N HIS A 11 -8.305 4.780 -0.890 1.00 0.00 N ATOM 156 CA HIS A 11 -9.638 4.182 -1.079 1.00 0.00 C ATOM 157 C HIS A 11 -9.877 3.944 -2.576 1.00 0.00 C ATOM 158 O HIS A 11 -9.832 4.887 -3.358 1.00 0.00 O ATOM 159 CB HIS A 11 -10.708 5.140 -0.488 1.00 0.00 C ATOM 160 CG HIS A 11 -12.138 4.645 -0.528 1.00 0.00 C ATOM 161 ND1 HIS A 11 -13.211 5.481 -0.344 1.00 0.00 N ATOM 162 CD2 HIS A 11 -12.665 3.400 -0.673 1.00 0.00 C ATOM 163 CE1 HIS A 11 -14.325 4.784 -0.367 1.00 0.00 C ATOM 164 NE2 HIS A 11 -14.020 3.517 -0.564 1.00 0.00 N ATOM 0 H HIS A 11 -8.147 5.609 -1.462 1.00 0.00 H new ATOM 0 HA HIS A 11 -9.704 3.224 -0.564 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -10.446 5.349 0.549 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -10.657 6.086 -1.027 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -12.113 2.487 -0.843 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -15.322 5.182 -0.245 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -14.688 2.749 -0.625 1.00 0.00 H new ATOM 173 N LEU A 12 -10.125 2.687 -2.973 1.00 0.00 N ATOM 174 CA LEU A 12 -10.405 2.318 -4.372 1.00 0.00 C ATOM 175 C LEU A 12 -11.921 2.137 -4.572 1.00 0.00 C ATOM 176 O LEU A 12 -12.577 1.466 -3.784 1.00 0.00 O ATOM 177 CB LEU A 12 -9.667 1.002 -4.739 1.00 0.00 C ATOM 178 CG LEU A 12 -8.117 1.004 -4.541 1.00 0.00 C ATOM 179 CD1 LEU A 12 -7.503 -0.367 -4.917 1.00 0.00 C ATOM 180 CD2 LEU A 12 -7.451 2.150 -5.341 1.00 0.00 C ATOM 0 H LEU A 12 -10.137 1.894 -2.332 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.048 3.116 -5.023 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.088 0.194 -4.140 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.879 0.769 -5.783 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.920 1.179 -3.483 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.424 -0.335 -4.769 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.933 -1.144 -4.285 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -7.720 -0.588 -5.962 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.373 2.125 -5.183 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.665 2.025 -6.402 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.845 3.108 -5.002 1.00 0.00 H new ATOM 192 N VAL A 13 -12.454 2.803 -5.594 1.00 0.00 N ATOM 193 CA VAL A 13 -13.811 2.578 -6.154 1.00 0.00 C ATOM 194 C VAL A 13 -13.634 2.617 -7.676 1.00 0.00 C ATOM 195 O VAL A 13 -12.733 3.308 -8.140 1.00 0.00 O ATOM 196 CB VAL A 13 -14.850 3.690 -5.706 1.00 0.00 C ATOM 197 CG1 VAL A 13 -16.254 3.468 -6.330 1.00 0.00 C ATOM 198 CG2 VAL A 13 -14.953 3.781 -4.162 1.00 0.00 C ATOM 0 H VAL A 13 -11.947 3.542 -6.081 1.00 0.00 H new ATOM 0 HA VAL A 13 -14.215 1.631 -5.794 1.00 0.00 H new ATOM 0 HB VAL A 13 -14.468 4.639 -6.083 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -16.930 4.254 -5.994 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -16.178 3.495 -7.417 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -16.642 2.498 -6.018 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -15.673 4.553 -3.890 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -15.281 2.821 -3.762 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -13.977 4.033 -3.746 1.00 0.00 H new ATOM 307 N GLN A 21 -17.175 -1.638 -12.379 1.00 0.00 N ATOM 308 CA GLN A 21 -17.359 -2.886 -11.618 1.00 0.00 C ATOM 309 C GLN A 21 -17.419 -2.544 -10.120 1.00 0.00 C ATOM 310 O GLN A 21 -17.051 -1.434 -9.713 1.00 0.00 O ATOM 311 CB GLN A 21 -16.209 -3.881 -11.923 1.00 0.00 C ATOM 312 CG GLN A 21 -14.805 -3.320 -11.639 1.00 0.00 C ATOM 313 CD GLN A 21 -13.657 -4.283 -11.959 1.00 0.00 C ATOM 314 OE1 GLN A 21 -12.596 -3.857 -12.391 1.00 0.00 O ATOM 315 NE2 GLN A 21 -13.829 -5.575 -11.685 1.00 0.00 N ATOM 0 HA GLN A 21 -18.291 -3.368 -11.912 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -16.356 -4.783 -11.329 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -16.266 -4.176 -12.971 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -14.669 -2.407 -12.219 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -14.745 -3.041 -10.587 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -14.725 -5.905 -11.325 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -13.065 -6.234 -11.835 1.00 0.00 H new ATOM 324 N ASP A 22 -17.881 -3.492 -9.294 1.00 0.00 N ATOM 325 CA ASP A 22 -18.099 -3.255 -7.852 1.00 0.00 C ATOM 326 C ASP A 22 -16.826 -3.585 -7.034 1.00 0.00 C ATOM 327 O ASP A 22 -16.848 -4.373 -6.087 1.00 0.00 O ATOM 328 CB ASP A 22 -19.348 -4.061 -7.371 1.00 0.00 C ATOM 329 CG ASP A 22 -19.807 -3.659 -5.957 1.00 0.00 C ATOM 330 OD1 ASP A 22 -20.404 -2.573 -5.809 1.00 0.00 O ATOM 331 OD2 ASP A 22 -19.531 -4.391 -4.987 1.00 0.00 O ATOM 0 H ASP A 22 -18.114 -4.437 -9.598 1.00 0.00 H new ATOM 0 HA ASP A 22 -18.301 -2.197 -7.686 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -20.168 -3.905 -8.072 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -19.115 -5.126 -7.384 1.00 0.00 H new ATOM 336 N ILE A 23 -15.699 -2.976 -7.430 1.00 0.00 N ATOM 337 CA ILE A 23 -14.464 -3.005 -6.626 1.00 0.00 C ATOM 338 C ILE A 23 -14.465 -1.791 -5.685 1.00 0.00 C ATOM 339 O ILE A 23 -14.528 -0.636 -6.126 1.00 0.00 O ATOM 340 CB ILE A 23 -13.153 -3.089 -7.504 1.00 0.00 C ATOM 341 CG1 ILE A 23 -12.992 -1.882 -8.512 1.00 0.00 C ATOM 342 CG2 ILE A 23 -13.104 -4.449 -8.242 1.00 0.00 C ATOM 343 CD1 ILE A 23 -12.019 -0.788 -8.074 1.00 0.00 C ATOM 0 H ILE A 23 -15.615 -2.456 -8.303 1.00 0.00 H new ATOM 0 HA ILE A 23 -14.453 -3.921 -6.035 1.00 0.00 H new ATOM 0 HB ILE A 23 -12.305 -3.014 -6.823 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -12.661 -2.275 -9.473 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -13.971 -1.431 -8.672 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.198 -4.503 -8.846 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -13.102 -5.259 -7.513 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -13.977 -4.544 -8.888 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -11.982 -0.008 -8.835 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -12.355 -0.359 -7.130 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -11.025 -1.216 -7.944 1.00 0.00 H new ATOM 355 N ASN A 24 -14.504 -2.079 -4.384 1.00 0.00 N ATOM 356 CA ASN A 24 -14.568 -1.071 -3.317 1.00 0.00 C ATOM 357 C ASN A 24 -13.634 -1.546 -2.194 1.00 0.00 C ATOM 358 O ASN A 24 -13.941 -2.513 -1.493 1.00 0.00 O ATOM 359 CB ASN A 24 -16.019 -0.885 -2.790 1.00 0.00 C ATOM 360 CG ASN A 24 -17.082 -0.789 -3.888 1.00 0.00 C ATOM 361 OD1 ASN A 24 -17.379 0.289 -4.399 1.00 0.00 O ATOM 362 ND2 ASN A 24 -17.635 -1.923 -4.284 1.00 0.00 N ATOM 0 H ASN A 24 -14.492 -3.036 -4.032 1.00 0.00 H new ATOM 0 HA ASN A 24 -14.256 -0.099 -3.699 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -16.265 -1.721 -2.135 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -16.059 0.019 -2.182 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -18.328 -1.918 -5.032 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -17.369 -2.802 -3.841 1.00 0.00 H new ATOM 369 N ILE A 25 -12.486 -0.867 -2.040 1.00 0.00 N ATOM 370 CA ILE A 25 -11.329 -1.378 -1.277 1.00 0.00 C ATOM 371 C ILE A 25 -10.798 -0.285 -0.333 1.00 0.00 C ATOM 372 O ILE A 25 -10.633 0.867 -0.738 1.00 0.00 O ATOM 373 CB ILE A 25 -10.183 -1.840 -2.261 1.00 0.00 C ATOM 374 CG1 ILE A 25 -10.738 -2.870 -3.310 1.00 0.00 C ATOM 375 CG2 ILE A 25 -8.963 -2.425 -1.496 1.00 0.00 C ATOM 376 CD1 ILE A 25 -9.770 -3.284 -4.398 1.00 0.00 C ATOM 0 H ILE A 25 -12.331 0.057 -2.442 1.00 0.00 H new ATOM 0 HA ILE A 25 -11.652 -2.235 -0.686 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.832 -0.957 -2.795 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.062 -3.764 -2.778 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.623 -2.441 -3.780 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -8.198 -2.730 -2.210 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.554 -1.666 -0.829 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -9.280 -3.289 -0.912 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -10.256 -3.996 -5.066 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -9.463 -2.405 -4.965 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.893 -3.749 -3.947 1.00 0.00 H new ATOM 388 N HIS A 26 -10.548 -0.664 0.924 1.00 0.00 N ATOM 389 CA HIS A 26 -9.970 0.212 1.955 1.00 0.00 C ATOM 390 C HIS A 26 -8.510 -0.209 2.135 1.00 0.00 C ATOM 391 O HIS A 26 -8.270 -1.333 2.565 1.00 0.00 O ATOM 392 CB HIS A 26 -10.733 0.054 3.315 1.00 0.00 C ATOM 393 CG HIS A 26 -12.226 -0.172 3.211 1.00 0.00 C ATOM 394 ND1 HIS A 26 -12.894 -1.115 3.962 1.00 0.00 N ATOM 395 CD2 HIS A 26 -13.169 0.413 2.437 1.00 0.00 C ATOM 396 CE1 HIS A 26 -14.173 -1.101 3.655 1.00 0.00 C ATOM 397 NE2 HIS A 26 -14.365 -0.177 2.738 1.00 0.00 N ATOM 0 H HIS A 26 -10.744 -1.606 1.263 1.00 0.00 H new ATOM 0 HA HIS A 26 -10.050 1.255 1.649 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -10.295 -0.782 3.860 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -10.561 0.949 3.912 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -13.007 1.200 1.715 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -14.934 -1.738 4.082 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -15.264 0.061 2.318 1.00 0.00 H new ATOM 406 N ILE A 27 -7.555 0.657 1.779 1.00 0.00 N ATOM 407 CA ILE A 27 -6.114 0.368 1.936 1.00 0.00 C ATOM 408 C ILE A 27 -5.539 1.307 3.006 1.00 0.00 C ATOM 409 O ILE A 27 -5.383 2.501 2.766 1.00 0.00 O ATOM 410 CB ILE A 27 -5.323 0.561 0.580 1.00 0.00 C ATOM 411 CG1 ILE A 27 -5.978 -0.277 -0.568 1.00 0.00 C ATOM 412 CG2 ILE A 27 -3.819 0.202 0.751 1.00 0.00 C ATOM 413 CD1 ILE A 27 -5.269 -0.206 -1.913 1.00 0.00 C ATOM 0 H ILE A 27 -7.751 1.573 1.376 1.00 0.00 H new ATOM 0 HA ILE A 27 -6.001 -0.674 2.235 1.00 0.00 H new ATOM 0 HB ILE A 27 -5.380 1.614 0.303 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -6.022 -1.320 -0.254 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -7.006 0.060 -0.700 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.301 0.344 -0.197 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.374 0.848 1.508 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.726 -0.838 1.062 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -5.802 -0.821 -2.638 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -5.248 0.827 -2.259 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.249 -0.574 -1.806 1.00 0.00 H new ATOM 425 N ARG A 28 -5.227 0.762 4.181 1.00 0.00 N ATOM 426 CA ARG A 28 -4.627 1.521 5.284 1.00 0.00 C ATOM 427 C ARG A 28 -3.131 1.194 5.332 1.00 0.00 C ATOM 428 O ARG A 28 -2.757 0.079 5.703 1.00 0.00 O ATOM 429 CB ARG A 28 -5.306 1.150 6.631 1.00 0.00 C ATOM 430 CG ARG A 28 -5.058 2.164 7.771 1.00 0.00 C ATOM 431 CD ARG A 28 -5.644 1.701 9.120 1.00 0.00 C ATOM 432 NE ARG A 28 -4.903 0.550 9.670 1.00 0.00 N ATOM 433 CZ ARG A 28 -5.321 -0.726 9.712 1.00 0.00 C ATOM 434 NH1 ARG A 28 -6.506 -1.076 9.223 1.00 0.00 N ATOM 435 NH2 ARG A 28 -4.526 -1.648 10.230 1.00 0.00 N ATOM 0 H ARG A 28 -5.383 -0.222 4.398 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.771 2.589 5.122 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -6.380 1.059 6.470 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.947 0.171 6.948 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.986 2.324 7.882 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.497 3.124 7.499 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.615 2.526 9.832 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.692 1.430 8.988 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.979 0.743 10.058 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.115 -0.371 8.807 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.807 -2.050 9.263 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.609 -1.386 10.591 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.830 -2.621 10.268 1.00 0.00 H new ATOM 449 N TYR A 29 -2.268 2.159 4.975 1.00 0.00 N ATOM 450 CA TYR A 29 -0.812 1.949 4.990 1.00 0.00 C ATOM 451 C TYR A 29 -0.212 2.815 6.109 1.00 0.00 C ATOM 452 O TYR A 29 -0.434 4.031 6.166 1.00 0.00 O ATOM 453 CB TYR A 29 -0.167 2.213 3.593 1.00 0.00 C ATOM 454 CG TYR A 29 -0.141 3.667 3.093 1.00 0.00 C ATOM 455 CD1 TYR A 29 -1.230 4.226 2.419 1.00 0.00 C ATOM 456 CD2 TYR A 29 0.992 4.474 3.285 1.00 0.00 C ATOM 457 CE1 TYR A 29 -1.194 5.531 1.967 1.00 0.00 C ATOM 458 CE2 TYR A 29 1.027 5.776 2.837 1.00 0.00 C ATOM 459 CZ TYR A 29 -0.062 6.298 2.178 1.00 0.00 C ATOM 460 OH TYR A 29 -0.025 7.604 1.745 1.00 0.00 O ATOM 0 H TYR A 29 -2.553 3.091 4.673 1.00 0.00 H new ATOM 0 HA TYR A 29 -0.590 0.903 5.201 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.859 1.847 3.621 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -0.700 1.612 2.856 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -2.113 3.629 2.249 1.00 0.00 H new ATOM 0 HD2 TYR A 29 1.853 4.066 3.794 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -2.045 5.950 1.451 1.00 0.00 H new ATOM 0 HE2 TYR A 29 1.904 6.384 3.002 1.00 0.00 H new ATOM 0 HH TYR A 29 -0.402 7.660 0.842 1.00 0.00 H new ATOM 470 N GLU A 30 0.508 2.162 7.027 1.00 0.00 N ATOM 471 CA GLU A 30 1.035 2.792 8.242 1.00 0.00 C ATOM 472 C GLU A 30 2.559 2.706 8.230 1.00 0.00 C ATOM 473 O GLU A 30 3.126 1.607 8.288 1.00 0.00 O ATOM 474 CB GLU A 30 0.474 2.049 9.483 1.00 0.00 C ATOM 475 CG GLU A 30 -1.067 2.050 9.596 1.00 0.00 C ATOM 476 CD GLU A 30 -1.583 1.034 10.621 1.00 0.00 C ATOM 477 OE1 GLU A 30 -1.502 1.296 11.839 1.00 0.00 O ATOM 478 OE2 GLU A 30 -2.048 -0.046 10.216 1.00 0.00 O ATOM 0 H GLU A 30 0.743 1.173 6.947 1.00 0.00 H new ATOM 0 HA GLU A 30 0.734 3.839 8.281 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.822 1.016 9.459 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.891 2.505 10.381 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.407 3.047 9.876 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.499 1.828 8.620 1.00 0.00 H new ATOM 485 N VAL A 31 3.209 3.870 8.143 1.00 0.00 N ATOM 486 CA VAL A 31 4.661 3.973 8.210 1.00 0.00 C ATOM 487 C VAL A 31 5.094 3.848 9.678 1.00 0.00 C ATOM 488 O VAL A 31 4.717 4.678 10.516 1.00 0.00 O ATOM 489 CB VAL A 31 5.154 5.325 7.583 1.00 0.00 C ATOM 490 CG1 VAL A 31 6.694 5.470 7.682 1.00 0.00 C ATOM 491 CG2 VAL A 31 4.671 5.438 6.112 1.00 0.00 C ATOM 0 H VAL A 31 2.738 4.767 8.024 1.00 0.00 H new ATOM 0 HA VAL A 31 5.115 3.169 7.631 1.00 0.00 H new ATOM 0 HB VAL A 31 4.719 6.145 8.154 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.000 6.417 7.238 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.995 5.446 8.729 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.172 4.648 7.148 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.018 6.379 5.686 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.073 4.607 5.532 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.582 5.407 6.083 1.00 0.00 H new ATOM 501 N ARG A 32 5.863 2.805 9.970 1.00 0.00 N ATOM 502 CA ARG A 32 6.258 2.435 11.336 1.00 0.00 C ATOM 503 C ARG A 32 7.720 1.974 11.328 1.00 0.00 C ATOM 504 O ARG A 32 8.261 1.603 10.282 1.00 0.00 O ATOM 505 CB ARG A 32 5.338 1.291 11.847 1.00 0.00 C ATOM 506 CG ARG A 32 5.578 0.848 13.314 1.00 0.00 C ATOM 507 CD ARG A 32 4.928 -0.495 13.634 1.00 0.00 C ATOM 508 NE ARG A 32 5.092 -0.885 15.047 1.00 0.00 N ATOM 509 CZ ARG A 32 4.430 -1.883 15.656 1.00 0.00 C ATOM 510 NH1 ARG A 32 3.512 -2.581 14.997 1.00 0.00 N ATOM 511 NH2 ARG A 32 4.693 -2.176 16.920 1.00 0.00 N ATOM 0 H ARG A 32 6.239 2.179 9.257 1.00 0.00 H new ATOM 0 HA ARG A 32 6.156 3.294 11.999 1.00 0.00 H new ATOM 0 HB2 ARG A 32 4.301 1.610 11.747 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.469 0.425 11.198 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.650 0.782 13.499 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.184 1.608 13.989 1.00 0.00 H new ATOM 0 HD2 ARG A 32 3.865 -0.445 13.396 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.362 -1.265 12.996 1.00 0.00 H new ATOM 0 HE ARG A 32 5.761 -0.355 15.606 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.306 -2.361 14.023 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.013 -3.337 15.465 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.398 -1.644 17.431 1.00 0.00 H new ATOM 0 HH22 ARG A 32 4.191 -2.934 17.383 1.00 0.00 H new ATOM 525 N GLN A 33 8.364 1.998 12.501 1.00 0.00 N ATOM 526 CA GLN A 33 9.720 1.481 12.680 1.00 0.00 C ATOM 527 C GLN A 33 9.665 0.204 13.544 1.00 0.00 C ATOM 528 O GLN A 33 9.288 0.262 14.719 1.00 0.00 O ATOM 529 CB GLN A 33 10.639 2.540 13.355 1.00 0.00 C ATOM 530 CG GLN A 33 10.666 3.935 12.697 1.00 0.00 C ATOM 531 CD GLN A 33 11.196 3.947 11.262 1.00 0.00 C ATOM 532 OE1 GLN A 33 12.405 4.030 11.033 1.00 0.00 O ATOM 533 NE2 GLN A 33 10.299 3.906 10.288 1.00 0.00 N ATOM 0 H GLN A 33 7.955 2.379 13.354 1.00 0.00 H new ATOM 0 HA GLN A 33 10.139 1.249 11.701 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.324 2.656 14.392 1.00 0.00 H new ATOM 0 HB3 GLN A 33 11.657 2.150 13.373 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.656 4.345 12.702 1.00 0.00 H new ATOM 0 HG3 GLN A 33 11.282 4.598 13.304 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.306 3.837 10.512 1.00 0.00 H new ATOM 0 HE22 GLN A 33 10.601 3.943 9.314 1.00 0.00 H new ATOM 542 N ASN A 34 10.006 -0.941 12.939 1.00 0.00 N ATOM 543 CA ASN A 34 10.197 -2.227 13.656 1.00 0.00 C ATOM 544 C ASN A 34 11.688 -2.423 13.975 1.00 0.00 C ATOM 545 O ASN A 34 12.544 -1.982 13.216 1.00 0.00 O ATOM 546 CB ASN A 34 9.648 -3.445 12.837 1.00 0.00 C ATOM 547 CG ASN A 34 10.385 -3.822 11.529 1.00 0.00 C ATOM 548 OD1 ASN A 34 10.372 -4.978 11.129 1.00 0.00 O ATOM 549 ND2 ASN A 34 11.025 -2.889 10.840 1.00 0.00 N ATOM 0 H ASN A 34 10.160 -1.011 11.933 1.00 0.00 H new ATOM 0 HA ASN A 34 9.626 -2.182 14.584 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.654 -4.318 13.489 1.00 0.00 H new ATOM 0 HB3 ASN A 34 8.607 -3.240 12.588 1.00 0.00 H new ATOM 0 HD21 ASN A 34 11.507 -3.134 9.975 1.00 0.00 H new ATOM 0 HD22 ASN A 34 11.035 -1.925 11.174 1.00 0.00 H new ATOM 556 N ALA A 35 11.987 -3.103 15.091 1.00 0.00 N ATOM 557 CA ALA A 35 13.379 -3.397 15.505 1.00 0.00 C ATOM 558 C ALA A 35 14.039 -4.439 14.570 1.00 0.00 C ATOM 559 O ALA A 35 15.265 -4.550 14.513 1.00 0.00 O ATOM 560 CB ALA A 35 13.402 -3.877 16.967 1.00 0.00 C ATOM 0 H ALA A 35 11.281 -3.465 15.732 1.00 0.00 H new ATOM 0 HA ALA A 35 13.961 -2.478 15.427 1.00 0.00 H new ATOM 0 HB1 ALA A 35 14.429 -4.091 17.264 1.00 0.00 H new ATOM 0 HB2 ALA A 35 12.993 -3.099 17.612 1.00 0.00 H new ATOM 0 HB3 ALA A 35 12.801 -4.781 17.063 1.00 0.00 H new ATOM 566 N GLU A 36 13.192 -5.185 13.841 1.00 0.00 N ATOM 567 CA GLU A 36 13.607 -6.269 12.947 1.00 0.00 C ATOM 568 C GLU A 36 14.319 -5.745 11.681 1.00 0.00 C ATOM 569 O GLU A 36 15.369 -6.276 11.304 1.00 0.00 O ATOM 570 CB GLU A 36 12.366 -7.133 12.589 1.00 0.00 C ATOM 571 CG GLU A 36 12.616 -8.276 11.588 1.00 0.00 C ATOM 572 CD GLU A 36 11.411 -9.221 11.435 1.00 0.00 C ATOM 573 OE1 GLU A 36 10.451 -8.865 10.723 1.00 0.00 O ATOM 574 OE2 GLU A 36 11.414 -10.315 12.042 1.00 0.00 O ATOM 0 H GLU A 36 12.182 -5.046 13.860 1.00 0.00 H new ATOM 0 HA GLU A 36 14.340 -6.887 13.466 1.00 0.00 H new ATOM 0 HB2 GLU A 36 11.966 -7.561 13.508 1.00 0.00 H new ATOM 0 HB3 GLU A 36 11.596 -6.479 12.181 1.00 0.00 H new ATOM 0 HG2 GLU A 36 12.862 -7.851 10.615 1.00 0.00 H new ATOM 0 HG3 GLU A 36 13.483 -8.852 11.913 1.00 0.00 H new ATOM 581 N SER A 37 13.771 -4.699 11.044 1.00 0.00 N ATOM 582 CA SER A 37 14.270 -4.215 9.731 1.00 0.00 C ATOM 583 C SER A 37 14.430 -2.681 9.700 1.00 0.00 C ATOM 584 O SER A 37 14.833 -2.114 8.673 1.00 0.00 O ATOM 585 CB SER A 37 13.295 -4.697 8.632 1.00 0.00 C ATOM 586 OG SER A 37 13.782 -4.424 7.336 1.00 0.00 O ATOM 0 H SER A 37 12.982 -4.167 11.410 1.00 0.00 H new ATOM 0 HA SER A 37 15.264 -4.626 9.555 1.00 0.00 H new ATOM 0 HB2 SER A 37 13.130 -5.769 8.739 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.329 -4.211 8.766 1.00 0.00 H new ATOM 0 HG SER A 37 14.242 -3.558 7.335 1.00 0.00 H new ATOM 592 N GLY A 38 14.148 -2.015 10.832 1.00 0.00 N ATOM 593 CA GLY A 38 14.198 -0.552 10.904 1.00 0.00 C ATOM 594 C GLY A 38 12.892 0.059 10.431 1.00 0.00 C ATOM 595 O GLY A 38 11.860 -0.155 11.050 1.00 0.00 O ATOM 0 H GLY A 38 13.884 -2.469 11.706 1.00 0.00 H new ATOM 0 HA2 GLY A 38 14.399 -0.241 11.929 1.00 0.00 H new ATOM 0 HA3 GLY A 38 15.020 -0.182 10.292 1.00 0.00 H new ATOM 599 N ALA A 39 12.932 0.807 9.330 1.00 0.00 N ATOM 600 CA ALA A 39 11.723 1.354 8.698 1.00 0.00 C ATOM 601 C ALA A 39 10.965 0.249 7.950 1.00 0.00 C ATOM 602 O ALA A 39 11.588 -0.666 7.401 1.00 0.00 O ATOM 603 CB ALA A 39 12.083 2.513 7.749 1.00 0.00 C ATOM 0 H ALA A 39 13.797 1.053 8.849 1.00 0.00 H new ATOM 0 HA ALA A 39 11.072 1.748 9.478 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.174 2.904 7.291 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.575 3.305 8.313 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.754 2.151 6.971 1.00 0.00 H new ATOM 609 N TYR A 40 9.629 0.317 7.982 1.00 0.00 N ATOM 610 CA TYR A 40 8.751 -0.516 7.135 1.00 0.00 C ATOM 611 C TYR A 40 7.366 0.134 7.055 1.00 0.00 C ATOM 612 O TYR A 40 7.103 1.129 7.745 1.00 0.00 O ATOM 613 CB TYR A 40 8.666 -1.993 7.656 1.00 0.00 C ATOM 614 CG TYR A 40 7.615 -2.284 8.742 1.00 0.00 C ATOM 615 CD1 TYR A 40 7.766 -1.809 10.042 1.00 0.00 C ATOM 616 CD2 TYR A 40 6.473 -3.050 8.459 1.00 0.00 C ATOM 617 CE1 TYR A 40 6.828 -2.088 11.013 1.00 0.00 C ATOM 618 CE2 TYR A 40 5.532 -3.324 9.429 1.00 0.00 C ATOM 619 CZ TYR A 40 5.713 -2.842 10.705 1.00 0.00 C ATOM 620 OH TYR A 40 4.780 -3.117 11.681 1.00 0.00 O ATOM 0 H TYR A 40 9.119 0.952 8.596 1.00 0.00 H new ATOM 0 HA TYR A 40 9.178 -0.571 6.134 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.464 -2.643 6.805 1.00 0.00 H new ATOM 0 HB3 TYR A 40 9.645 -2.273 8.046 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.631 -1.213 10.293 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.328 -3.433 7.460 1.00 0.00 H new ATOM 0 HE1 TYR A 40 6.966 -1.716 12.017 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.659 -3.913 9.189 1.00 0.00 H new ATOM 0 HH TYR A 40 4.057 -3.657 11.299 1.00 0.00 H new ATOM 630 N VAL A 41 6.480 -0.410 6.204 1.00 0.00 N ATOM 631 CA VAL A 41 5.078 0.043 6.119 1.00 0.00 C ATOM 632 C VAL A 41 4.139 -1.184 6.172 1.00 0.00 C ATOM 633 O VAL A 41 4.345 -2.166 5.446 1.00 0.00 O ATOM 634 CB VAL A 41 4.788 0.884 4.813 1.00 0.00 C ATOM 635 CG1 VAL A 41 3.381 1.533 4.861 1.00 0.00 C ATOM 636 CG2 VAL A 41 5.874 1.954 4.550 1.00 0.00 C ATOM 0 H VAL A 41 6.710 -1.168 5.561 1.00 0.00 H new ATOM 0 HA VAL A 41 4.894 0.700 6.969 1.00 0.00 H new ATOM 0 HB VAL A 41 4.815 0.183 3.979 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.213 2.104 3.948 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.624 0.754 4.946 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.316 2.198 5.722 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.629 2.505 3.642 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.917 2.644 5.393 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.842 1.468 4.430 1.00 0.00 H new ATOM 646 N HIS A 42 3.126 -1.118 7.053 1.00 0.00 N ATOM 647 CA HIS A 42 2.066 -2.141 7.167 1.00 0.00 C ATOM 648 C HIS A 42 0.924 -1.782 6.207 1.00 0.00 C ATOM 649 O HIS A 42 0.281 -0.748 6.384 1.00 0.00 O ATOM 650 CB HIS A 42 1.541 -2.217 8.637 1.00 0.00 C ATOM 651 CG HIS A 42 0.248 -3.002 8.837 1.00 0.00 C ATOM 652 ND1 HIS A 42 -0.778 -2.565 9.646 1.00 0.00 N ATOM 653 CD2 HIS A 42 -0.172 -4.191 8.337 1.00 0.00 C ATOM 654 CE1 HIS A 42 -1.761 -3.444 9.629 1.00 0.00 C ATOM 655 NE2 HIS A 42 -1.419 -4.440 8.844 1.00 0.00 N ATOM 0 H HIS A 42 3.017 -0.348 7.713 1.00 0.00 H new ATOM 0 HA HIS A 42 2.470 -3.118 6.902 1.00 0.00 H new ATOM 0 HB2 HIS A 42 2.317 -2.665 9.258 1.00 0.00 H new ATOM 0 HB3 HIS A 42 1.388 -1.201 9.002 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -0.777 -1.694 10.177 1.00 0.00 H new ATOM 0 HD2 HIS A 42 0.379 -4.827 7.660 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -2.692 -3.359 10.170 1.00 0.00 H new ATOM 664 N PHE A 43 0.669 -2.642 5.209 1.00 0.00 N ATOM 665 CA PHE A 43 -0.421 -2.436 4.237 1.00 0.00 C ATOM 666 C PHE A 43 -1.590 -3.371 4.591 1.00 0.00 C ATOM 667 O PHE A 43 -1.472 -4.586 4.477 1.00 0.00 O ATOM 668 CB PHE A 43 0.095 -2.717 2.803 1.00 0.00 C ATOM 669 CG PHE A 43 1.363 -1.938 2.441 1.00 0.00 C ATOM 670 CD1 PHE A 43 1.298 -0.594 2.089 1.00 0.00 C ATOM 671 CD2 PHE A 43 2.618 -2.554 2.452 1.00 0.00 C ATOM 672 CE1 PHE A 43 2.439 0.109 1.758 1.00 0.00 C ATOM 673 CE2 PHE A 43 3.757 -1.847 2.119 1.00 0.00 C ATOM 674 CZ PHE A 43 3.669 -0.518 1.770 1.00 0.00 C ATOM 0 H PHE A 43 1.207 -3.494 5.052 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.768 -1.403 4.277 1.00 0.00 H new ATOM 0 HB2 PHE A 43 0.293 -3.784 2.700 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.690 -2.468 2.089 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.341 -0.093 2.074 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.698 -3.596 2.724 1.00 0.00 H new ATOM 0 HE1 PHE A 43 2.369 1.153 1.489 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.719 -2.338 2.132 1.00 0.00 H new ATOM 0 HZ PHE A 43 4.560 0.033 1.506 1.00 0.00 H new ATOM 684 N ASP A 44 -2.692 -2.784 5.062 1.00 0.00 N ATOM 685 CA ASP A 44 -3.945 -3.508 5.362 1.00 0.00 C ATOM 686 C ASP A 44 -4.972 -3.210 4.267 1.00 0.00 C ATOM 687 O ASP A 44 -5.056 -2.073 3.810 1.00 0.00 O ATOM 688 CB ASP A 44 -4.494 -3.079 6.748 1.00 0.00 C ATOM 689 CG ASP A 44 -5.709 -3.913 7.206 1.00 0.00 C ATOM 690 OD1 ASP A 44 -5.559 -5.137 7.401 1.00 0.00 O ATOM 691 OD2 ASP A 44 -6.814 -3.356 7.387 1.00 0.00 O ATOM 0 H ASP A 44 -2.748 -1.783 5.250 1.00 0.00 H new ATOM 0 HA ASP A 44 -3.748 -4.580 5.390 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.700 -3.168 7.489 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.777 -2.027 6.710 1.00 0.00 H new ATOM 696 N MET A 45 -5.742 -4.229 3.838 1.00 0.00 N ATOM 697 CA MET A 45 -6.780 -4.069 2.792 1.00 0.00 C ATOM 698 C MET A 45 -8.020 -4.912 3.120 1.00 0.00 C ATOM 699 O MET A 45 -7.902 -6.051 3.559 1.00 0.00 O ATOM 700 CB MET A 45 -6.264 -4.445 1.372 1.00 0.00 C ATOM 701 CG MET A 45 -5.054 -3.640 0.868 1.00 0.00 C ATOM 702 SD MET A 45 -4.812 -3.782 -0.916 1.00 0.00 S ATOM 703 CE MET A 45 -4.787 -5.556 -1.137 1.00 0.00 C ATOM 0 H MET A 45 -5.666 -5.179 4.201 1.00 0.00 H new ATOM 0 HA MET A 45 -7.043 -3.011 2.783 1.00 0.00 H new ATOM 0 HB2 MET A 45 -6.000 -5.503 1.369 1.00 0.00 H new ATOM 0 HB3 MET A 45 -7.082 -4.319 0.663 1.00 0.00 H new ATOM 0 HG2 MET A 45 -5.188 -2.590 1.129 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.156 -3.984 1.380 1.00 0.00 H new ATOM 0 HE1 MET A 45 -3.998 -5.824 -1.840 1.00 0.00 H new ATOM 0 HE2 MET A 45 -4.598 -6.039 -0.178 1.00 0.00 H new ATOM 0 HE3 MET A 45 -5.749 -5.888 -1.527 1.00 0.00 H new ATOM 713 N ASP A 46 -9.206 -4.348 2.864 1.00 0.00 N ATOM 714 CA ASP A 46 -10.498 -5.022 3.110 1.00 0.00 C ATOM 715 C ASP A 46 -11.613 -4.290 2.361 1.00 0.00 C ATOM 716 O ASP A 46 -11.465 -3.120 2.030 1.00 0.00 O ATOM 717 CB ASP A 46 -10.820 -5.089 4.633 1.00 0.00 C ATOM 718 CG ASP A 46 -11.144 -3.722 5.274 1.00 0.00 C ATOM 719 OD1 ASP A 46 -10.283 -2.818 5.259 1.00 0.00 O ATOM 720 OD2 ASP A 46 -12.271 -3.539 5.785 1.00 0.00 O ATOM 0 H ASP A 46 -9.303 -3.408 2.479 1.00 0.00 H new ATOM 0 HA ASP A 46 -10.428 -6.045 2.741 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -11.667 -5.758 4.784 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.969 -5.529 5.153 1.00 0.00 H new ATOM 725 N GLY A 47 -12.734 -4.972 2.103 1.00 0.00 N ATOM 726 CA GLY A 47 -13.856 -4.367 1.381 1.00 0.00 C ATOM 727 C GLY A 47 -14.700 -5.404 0.670 1.00 0.00 C ATOM 728 O GLY A 47 -15.130 -6.370 1.297 1.00 0.00 O ATOM 0 H GLY A 47 -12.887 -5.941 2.383 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.479 -3.811 2.081 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.475 -3.650 0.654 1.00 0.00 H new ATOM 732 N GLU A 48 -14.929 -5.200 -0.636 1.00 0.00 N ATOM 733 CA GLU A 48 -15.790 -6.055 -1.475 1.00 0.00 C ATOM 734 C GLU A 48 -15.379 -5.900 -2.945 1.00 0.00 C ATOM 735 O GLU A 48 -14.755 -4.893 -3.304 1.00 0.00 O ATOM 736 CB GLU A 48 -17.277 -5.662 -1.246 1.00 0.00 C ATOM 737 CG GLU A 48 -17.595 -4.160 -1.509 1.00 0.00 C ATOM 738 CD GLU A 48 -18.847 -3.663 -0.776 1.00 0.00 C ATOM 739 OE1 GLU A 48 -19.965 -3.938 -1.241 1.00 0.00 O ATOM 740 OE2 GLU A 48 -18.719 -3.010 0.291 1.00 0.00 O ATOM 0 H GLU A 48 -14.515 -4.423 -1.150 1.00 0.00 H new ATOM 0 HA GLU A 48 -15.672 -7.104 -1.203 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -17.905 -6.272 -1.895 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -17.550 -5.904 -0.219 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -16.741 -3.557 -1.202 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -17.726 -4.006 -2.580 1.00 0.00 H new ATOM 747 N ILE A 49 -15.755 -6.877 -3.807 1.00 0.00 N ATOM 748 CA ILE A 49 -15.255 -6.970 -5.202 1.00 0.00 C ATOM 749 C ILE A 49 -16.322 -7.815 -5.929 1.00 0.00 C ATOM 750 O ILE A 49 -16.425 -9.023 -5.649 1.00 0.00 O ATOM 751 CB ILE A 49 -13.815 -7.599 -5.397 1.00 0.00 C ATOM 752 CG1 ILE A 49 -12.687 -6.640 -4.889 1.00 0.00 C ATOM 753 CG2 ILE A 49 -13.572 -7.976 -6.892 1.00 0.00 C ATOM 754 CD1 ILE A 49 -11.270 -7.167 -5.032 1.00 0.00 C ATOM 0 H ILE A 49 -16.409 -7.619 -3.557 1.00 0.00 H new ATOM 0 HA ILE A 49 -15.119 -5.963 -5.596 1.00 0.00 H new ATOM 0 HB ILE A 49 -13.776 -8.507 -4.794 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -12.763 -5.698 -5.432 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -12.869 -6.417 -3.838 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -12.576 -8.406 -7.002 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -14.319 -8.704 -7.210 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -13.651 -7.082 -7.510 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -10.566 -6.427 -4.651 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -11.167 -8.092 -4.464 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -11.058 -7.361 -6.083 1.00 0.00 H new ATOM 766 N ASP A 50 -17.135 -7.176 -6.796 1.00 0.00 N ATOM 767 CA ASP A 50 -18.334 -7.794 -7.419 1.00 0.00 C ATOM 768 C ASP A 50 -19.330 -8.219 -6.307 1.00 0.00 C ATOM 769 O ASP A 50 -19.910 -9.310 -6.316 1.00 0.00 O ATOM 770 CB ASP A 50 -17.934 -8.970 -8.376 1.00 0.00 C ATOM 771 CG ASP A 50 -19.112 -9.563 -9.179 1.00 0.00 C ATOM 772 OD1 ASP A 50 -19.719 -8.834 -9.998 1.00 0.00 O ATOM 773 OD2 ASP A 50 -19.452 -10.752 -8.994 1.00 0.00 O ATOM 0 H ASP A 50 -16.981 -6.211 -7.088 1.00 0.00 H new ATOM 0 HA ASP A 50 -18.839 -7.063 -8.051 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -17.176 -8.614 -9.074 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -17.476 -9.764 -7.786 1.00 0.00 H new ATOM 778 N GLY A 51 -19.478 -7.320 -5.310 1.00 0.00 N ATOM 779 CA GLY A 51 -20.341 -7.536 -4.141 1.00 0.00 C ATOM 780 C GLY A 51 -19.704 -8.378 -3.032 1.00 0.00 C ATOM 781 O GLY A 51 -20.035 -8.206 -1.850 1.00 0.00 O ATOM 0 H GLY A 51 -18.997 -6.421 -5.299 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -20.623 -6.567 -3.729 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -21.260 -8.023 -4.468 1.00 0.00 H new ATOM 785 N LYS A 52 -18.787 -9.281 -3.411 1.00 0.00 N ATOM 786 CA LYS A 52 -18.235 -10.317 -2.527 1.00 0.00 C ATOM 787 C LYS A 52 -17.090 -9.756 -1.657 1.00 0.00 C ATOM 788 O LYS A 52 -16.088 -9.285 -2.213 1.00 0.00 O ATOM 789 CB LYS A 52 -17.734 -11.474 -3.415 1.00 0.00 C ATOM 790 CG LYS A 52 -18.867 -12.185 -4.203 1.00 0.00 C ATOM 791 CD LYS A 52 -18.340 -13.126 -5.308 1.00 0.00 C ATOM 792 CE LYS A 52 -17.633 -12.367 -6.447 1.00 0.00 C ATOM 793 NZ LYS A 52 -17.161 -13.280 -7.518 1.00 0.00 N ATOM 0 H LYS A 52 -18.403 -9.312 -4.355 1.00 0.00 H new ATOM 0 HA LYS A 52 -19.006 -10.672 -1.843 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -16.999 -11.088 -4.121 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -17.222 -12.206 -2.790 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -19.480 -12.759 -3.508 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -19.515 -11.433 -4.653 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -17.646 -13.843 -4.869 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -19.171 -13.698 -5.719 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -18.317 -11.633 -6.872 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -16.785 -11.815 -6.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -16.692 -12.727 -8.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -16.488 -13.965 -7.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -17.973 -13.789 -7.923 1.00 0.00 H new ATOM 807 N PRO A 53 -17.208 -9.821 -0.288 1.00 0.00 N ATOM 808 CA PRO A 53 -16.203 -9.237 0.635 1.00 0.00 C ATOM 809 C PRO A 53 -14.849 -9.974 0.605 1.00 0.00 C ATOM 810 O PRO A 53 -14.791 -11.171 0.288 1.00 0.00 O ATOM 811 CB PRO A 53 -16.882 -9.360 2.024 1.00 0.00 C ATOM 812 CG PRO A 53 -17.797 -10.540 1.885 1.00 0.00 C ATOM 813 CD PRO A 53 -18.324 -10.473 0.467 1.00 0.00 C ATOM 0 HA PRO A 53 -15.948 -8.213 0.361 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -16.147 -9.517 2.814 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -17.435 -8.456 2.278 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -17.264 -11.474 2.063 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -18.610 -10.494 2.609 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -18.549 -11.465 0.075 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -19.243 -9.891 0.407 1.00 0.00 H new ATOM 821 N PHE A 54 -13.766 -9.240 0.915 1.00 0.00 N ATOM 822 CA PHE A 54 -12.414 -9.812 1.060 1.00 0.00 C ATOM 823 C PHE A 54 -11.640 -9.028 2.139 1.00 0.00 C ATOM 824 O PHE A 54 -11.852 -7.823 2.299 1.00 0.00 O ATOM 825 CB PHE A 54 -11.656 -9.792 -0.306 1.00 0.00 C ATOM 826 CG PHE A 54 -11.083 -8.433 -0.728 1.00 0.00 C ATOM 827 CD1 PHE A 54 -11.921 -7.359 -1.034 1.00 0.00 C ATOM 828 CD2 PHE A 54 -9.700 -8.232 -0.798 1.00 0.00 C ATOM 829 CE1 PHE A 54 -11.394 -6.134 -1.392 1.00 0.00 C ATOM 830 CE2 PHE A 54 -9.178 -7.009 -1.161 1.00 0.00 C ATOM 831 CZ PHE A 54 -10.024 -5.963 -1.455 1.00 0.00 C ATOM 0 H PHE A 54 -13.802 -8.233 1.072 1.00 0.00 H new ATOM 0 HA PHE A 54 -12.495 -10.853 1.373 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -10.838 -10.511 -0.258 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -12.338 -10.136 -1.084 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -12.992 -7.488 -0.990 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -9.032 -9.047 -0.564 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -12.052 -5.310 -1.623 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -8.108 -6.871 -1.215 1.00 0.00 H new ATOM 0 HZ PHE A 54 -9.615 -5.004 -1.736 1.00 0.00 H new ATOM 841 N SER A 55 -10.766 -9.720 2.890 1.00 0.00 N ATOM 842 CA SER A 55 -9.893 -9.085 3.901 1.00 0.00 C ATOM 843 C SER A 55 -8.506 -9.765 3.909 1.00 0.00 C ATOM 844 O SER A 55 -8.403 -10.970 4.167 1.00 0.00 O ATOM 845 CB SER A 55 -10.551 -9.169 5.301 1.00 0.00 C ATOM 846 OG SER A 55 -11.829 -8.542 5.319 1.00 0.00 O ATOM 0 H SER A 55 -10.643 -10.730 2.817 1.00 0.00 H new ATOM 0 HA SER A 55 -9.760 -8.034 3.645 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.654 -10.214 5.593 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.902 -8.695 6.037 1.00 0.00 H new ATOM 0 HG SER A 55 -12.216 -8.615 6.216 1.00 0.00 H new ATOM 852 N ASP A 56 -7.454 -8.982 3.610 1.00 0.00 N ATOM 853 CA ASP A 56 -6.051 -9.458 3.564 1.00 0.00 C ATOM 854 C ASP A 56 -5.089 -8.297 3.910 1.00 0.00 C ATOM 855 O ASP A 56 -5.426 -7.130 3.705 1.00 0.00 O ATOM 856 CB ASP A 56 -5.743 -10.028 2.145 1.00 0.00 C ATOM 857 CG ASP A 56 -4.292 -10.517 1.976 1.00 0.00 C ATOM 858 OD1 ASP A 56 -3.998 -11.680 2.326 1.00 0.00 O ATOM 859 OD2 ASP A 56 -3.432 -9.733 1.516 1.00 0.00 O ATOM 0 H ASP A 56 -7.550 -7.991 3.391 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.908 -10.250 4.299 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.422 -10.856 1.940 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.946 -9.257 1.401 1.00 0.00 H new ATOM 864 N SER A 57 -3.885 -8.621 4.415 1.00 0.00 N ATOM 865 CA SER A 57 -2.854 -7.614 4.737 1.00 0.00 C ATOM 866 C SER A 57 -1.452 -8.178 4.467 1.00 0.00 C ATOM 867 O SER A 57 -1.208 -9.374 4.660 1.00 0.00 O ATOM 868 CB SER A 57 -2.990 -7.146 6.207 1.00 0.00 C ATOM 869 OG SER A 57 -2.924 -8.235 7.113 1.00 0.00 O ATOM 0 H SER A 57 -3.599 -9.580 4.611 1.00 0.00 H new ATOM 0 HA SER A 57 -3.002 -6.747 4.093 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.198 -6.433 6.437 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.937 -6.622 6.336 1.00 0.00 H new ATOM 0 HG SER A 57 -3.012 -7.903 8.031 1.00 0.00 H new ATOM 875 N PHE A 58 -0.544 -7.307 4.008 1.00 0.00 N ATOM 876 CA PHE A 58 0.868 -7.641 3.760 1.00 0.00 C ATOM 877 C PHE A 58 1.766 -6.510 4.292 1.00 0.00 C ATOM 878 O PHE A 58 1.457 -5.332 4.126 1.00 0.00 O ATOM 879 CB PHE A 58 1.119 -7.911 2.248 1.00 0.00 C ATOM 880 CG PHE A 58 0.740 -6.768 1.298 1.00 0.00 C ATOM 881 CD1 PHE A 58 -0.584 -6.585 0.887 1.00 0.00 C ATOM 882 CD2 PHE A 58 1.706 -5.886 0.814 1.00 0.00 C ATOM 883 CE1 PHE A 58 -0.920 -5.560 0.026 1.00 0.00 C ATOM 884 CE2 PHE A 58 1.367 -4.868 -0.047 1.00 0.00 C ATOM 885 CZ PHE A 58 0.057 -4.698 -0.439 1.00 0.00 C ATOM 0 H PHE A 58 -0.771 -6.336 3.795 1.00 0.00 H new ATOM 0 HA PHE A 58 1.118 -8.559 4.292 1.00 0.00 H new ATOM 0 HB2 PHE A 58 2.176 -8.140 2.109 1.00 0.00 H new ATOM 0 HB3 PHE A 58 0.560 -8.801 1.959 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.352 -7.253 1.247 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.735 -6.004 1.120 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.946 -5.431 -0.285 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.130 -4.200 -0.417 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.207 -3.893 -1.109 1.00 0.00 H new ATOM 895 N GLU A 59 2.865 -6.884 4.962 1.00 0.00 N ATOM 896 CA GLU A 59 3.814 -5.933 5.562 1.00 0.00 C ATOM 897 C GLU A 59 5.134 -6.040 4.802 1.00 0.00 C ATOM 898 O GLU A 59 5.705 -7.137 4.692 1.00 0.00 O ATOM 899 CB GLU A 59 4.049 -6.220 7.078 1.00 0.00 C ATOM 900 CG GLU A 59 2.798 -6.134 7.983 1.00 0.00 C ATOM 901 CD GLU A 59 1.807 -7.305 7.811 1.00 0.00 C ATOM 902 OE1 GLU A 59 2.135 -8.435 8.228 1.00 0.00 O ATOM 903 OE2 GLU A 59 0.699 -7.106 7.268 1.00 0.00 O ATOM 0 H GLU A 59 3.123 -7.861 5.104 1.00 0.00 H new ATOM 0 HA GLU A 59 3.401 -4.927 5.488 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.478 -7.217 7.177 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.792 -5.515 7.451 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.119 -6.095 9.024 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.277 -5.199 7.775 1.00 0.00 H new ATOM 910 N LEU A 60 5.618 -4.907 4.278 1.00 0.00 N ATOM 911 CA LEU A 60 6.850 -4.857 3.481 1.00 0.00 C ATOM 912 C LEU A 60 7.876 -3.961 4.191 1.00 0.00 C ATOM 913 O LEU A 60 7.530 -2.832 4.579 1.00 0.00 O ATOM 914 CB LEU A 60 6.554 -4.329 2.052 1.00 0.00 C ATOM 915 CG LEU A 60 5.483 -5.113 1.223 1.00 0.00 C ATOM 916 CD1 LEU A 60 5.302 -4.500 -0.188 1.00 0.00 C ATOM 917 CD2 LEU A 60 5.826 -6.618 1.136 1.00 0.00 C ATOM 0 H LEU A 60 5.167 -4.000 4.395 1.00 0.00 H new ATOM 0 HA LEU A 60 7.259 -5.863 3.386 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.230 -3.291 2.133 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.487 -4.329 1.489 1.00 0.00 H new ATOM 0 HG LEU A 60 4.533 -5.021 1.749 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.551 -5.068 -0.738 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.977 -3.464 -0.096 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.250 -4.537 -0.725 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.062 -7.132 0.553 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.795 -6.743 0.653 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.863 -7.041 2.140 1.00 0.00 H new ATOM 929 N PRO A 61 9.143 -4.454 4.398 1.00 0.00 N ATOM 930 CA PRO A 61 10.263 -3.622 4.899 1.00 0.00 C ATOM 931 C PRO A 61 10.577 -2.442 3.954 1.00 0.00 C ATOM 932 O PRO A 61 10.178 -2.462 2.798 1.00 0.00 O ATOM 933 CB PRO A 61 11.445 -4.622 4.993 1.00 0.00 C ATOM 934 CG PRO A 61 11.077 -5.740 4.073 1.00 0.00 C ATOM 935 CD PRO A 61 9.578 -5.865 4.188 1.00 0.00 C ATOM 0 HA PRO A 61 10.038 -3.148 5.854 1.00 0.00 H new ATOM 0 HB2 PRO A 61 12.383 -4.155 4.692 1.00 0.00 H new ATOM 0 HB3 PRO A 61 11.580 -4.979 6.014 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.377 -5.522 3.048 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.573 -6.667 4.360 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.138 -6.294 3.288 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.288 -6.506 5.021 1.00 0.00 H new ATOM 943 N ARG A 62 11.248 -1.411 4.501 1.00 0.00 N ATOM 944 CA ARG A 62 11.676 -0.186 3.768 1.00 0.00 C ATOM 945 C ARG A 62 12.267 -0.460 2.356 1.00 0.00 C ATOM 946 O ARG A 62 11.971 0.274 1.405 1.00 0.00 O ATOM 947 CB ARG A 62 12.705 0.606 4.623 1.00 0.00 C ATOM 948 CG ARG A 62 14.004 -0.175 4.919 1.00 0.00 C ATOM 949 CD ARG A 62 15.039 0.597 5.743 1.00 0.00 C ATOM 950 NE ARG A 62 16.322 -0.134 5.784 1.00 0.00 N ATOM 951 CZ ARG A 62 17.442 0.275 6.396 1.00 0.00 C ATOM 952 NH1 ARG A 62 17.474 1.399 7.101 1.00 0.00 N ATOM 953 NH2 ARG A 62 18.538 -0.453 6.299 1.00 0.00 N ATOM 0 H ARG A 62 11.517 -1.398 5.485 1.00 0.00 H new ATOM 0 HA ARG A 62 10.771 0.400 3.608 1.00 0.00 H new ATOM 0 HB2 ARG A 62 12.959 1.531 4.105 1.00 0.00 H new ATOM 0 HB3 ARG A 62 12.238 0.887 5.567 1.00 0.00 H new ATOM 0 HG2 ARG A 62 13.748 -1.092 5.449 1.00 0.00 H new ATOM 0 HG3 ARG A 62 14.459 -0.470 3.973 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.192 1.586 5.311 1.00 0.00 H new ATOM 0 HD3 ARG A 62 14.667 0.746 6.757 1.00 0.00 H new ATOM 0 HE ARG A 62 16.359 -1.032 5.302 1.00 0.00 H new ATOM 0 HH11 ARG A 62 16.634 1.972 7.186 1.00 0.00 H new ATOM 0 HH12 ARG A 62 18.338 1.690 7.558 1.00 0.00 H new ATOM 0 HH21 ARG A 62 18.529 -1.320 5.761 1.00 0.00 H new ATOM 0 HH22 ARG A 62 19.395 -0.149 6.762 1.00 0.00 H new ATOM 967 N ASP A 63 13.071 -1.531 2.231 1.00 0.00 N ATOM 968 CA ASP A 63 13.788 -1.878 0.989 1.00 0.00 C ATOM 969 C ASP A 63 12.855 -2.476 -0.086 1.00 0.00 C ATOM 970 O ASP A 63 13.235 -2.547 -1.257 1.00 0.00 O ATOM 971 CB ASP A 63 14.966 -2.851 1.311 1.00 0.00 C ATOM 972 CG ASP A 63 16.189 -2.144 1.942 1.00 0.00 C ATOM 973 OD1 ASP A 63 16.213 -1.921 3.168 1.00 0.00 O ATOM 974 OD2 ASP A 63 17.129 -1.773 1.205 1.00 0.00 O ATOM 0 H ASP A 63 13.243 -2.185 2.994 1.00 0.00 H new ATOM 0 HA ASP A 63 14.188 -0.955 0.570 1.00 0.00 H new ATOM 0 HB2 ASP A 63 14.612 -3.626 1.991 1.00 0.00 H new ATOM 0 HB3 ASP A 63 15.277 -3.350 0.393 1.00 0.00 H new ATOM 979 N THR A 64 11.637 -2.895 0.309 1.00 0.00 N ATOM 980 CA THR A 64 10.654 -3.538 -0.597 1.00 0.00 C ATOM 981 C THR A 64 9.245 -2.910 -0.455 1.00 0.00 C ATOM 982 O THR A 64 8.300 -3.383 -1.091 1.00 0.00 O ATOM 983 CB THR A 64 10.562 -5.073 -0.330 1.00 0.00 C ATOM 984 OG1 THR A 64 10.217 -5.298 1.036 1.00 0.00 O ATOM 985 CG2 THR A 64 11.876 -5.812 -0.655 1.00 0.00 C ATOM 0 H THR A 64 11.302 -2.799 1.268 1.00 0.00 H new ATOM 0 HA THR A 64 11.010 -3.370 -1.613 1.00 0.00 H new ATOM 0 HB THR A 64 9.793 -5.471 -0.992 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.158 -6.262 1.204 1.00 0.00 H new ATOM 0 HG21 THR A 64 11.755 -6.876 -0.451 1.00 0.00 H new ATOM 0 HG22 THR A 64 12.123 -5.670 -1.707 1.00 0.00 H new ATOM 0 HG23 THR A 64 12.680 -5.413 -0.037 1.00 0.00 H new ATOM 993 N ALA A 65 9.122 -1.839 0.368 1.00 0.00 N ATOM 994 CA ALA A 65 7.828 -1.161 0.664 1.00 0.00 C ATOM 995 C ALA A 65 7.198 -0.557 -0.601 1.00 0.00 C ATOM 996 O ALA A 65 5.972 -0.490 -0.738 1.00 0.00 O ATOM 997 CB ALA A 65 8.030 -0.077 1.739 1.00 0.00 C ATOM 0 H ALA A 65 9.917 -1.418 0.848 1.00 0.00 H new ATOM 0 HA ALA A 65 7.137 -1.914 1.043 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.078 0.411 1.947 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.409 -0.536 2.652 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.746 0.662 1.380 1.00 0.00 H new ATOM 1003 N PHE A 66 8.079 -0.147 -1.516 1.00 0.00 N ATOM 1004 CA PHE A 66 7.710 0.454 -2.811 1.00 0.00 C ATOM 1005 C PHE A 66 6.971 -0.544 -3.730 1.00 0.00 C ATOM 1006 O PHE A 66 6.149 -0.133 -4.553 1.00 0.00 O ATOM 1007 CB PHE A 66 8.991 0.958 -3.523 1.00 0.00 C ATOM 1008 CG PHE A 66 9.927 1.783 -2.628 1.00 0.00 C ATOM 1009 CD1 PHE A 66 9.605 3.088 -2.262 1.00 0.00 C ATOM 1010 CD2 PHE A 66 11.126 1.244 -2.148 1.00 0.00 C ATOM 1011 CE1 PHE A 66 10.448 3.822 -1.450 1.00 0.00 C ATOM 1012 CE2 PHE A 66 11.964 1.982 -1.335 1.00 0.00 C ATOM 1013 CZ PHE A 66 11.625 3.271 -0.988 1.00 0.00 C ATOM 0 H PHE A 66 9.087 -0.222 -1.381 1.00 0.00 H new ATOM 0 HA PHE A 66 7.030 1.282 -2.611 1.00 0.00 H new ATOM 0 HB2 PHE A 66 9.540 0.099 -3.909 1.00 0.00 H new ATOM 0 HB3 PHE A 66 8.701 1.563 -4.382 1.00 0.00 H new ATOM 0 HD1 PHE A 66 8.686 3.531 -2.617 1.00 0.00 H new ATOM 0 HD2 PHE A 66 11.400 0.235 -2.418 1.00 0.00 H new ATOM 0 HE1 PHE A 66 10.184 4.833 -1.176 1.00 0.00 H new ATOM 0 HE2 PHE A 66 12.884 1.549 -0.972 1.00 0.00 H new ATOM 0 HZ PHE A 66 12.280 3.850 -0.354 1.00 0.00 H new ATOM 1023 N ASN A 67 7.196 -1.859 -3.511 1.00 0.00 N ATOM 1024 CA ASN A 67 6.660 -2.939 -4.376 1.00 0.00 C ATOM 1025 C ASN A 67 5.144 -3.159 -4.168 1.00 0.00 C ATOM 1026 O ASN A 67 4.535 -3.974 -4.875 1.00 0.00 O ATOM 1027 CB ASN A 67 7.427 -4.263 -4.106 1.00 0.00 C ATOM 1028 CG ASN A 67 8.916 -4.202 -4.469 1.00 0.00 C ATOM 1029 OD1 ASN A 67 9.330 -3.460 -5.366 1.00 0.00 O ATOM 1030 ND2 ASN A 67 9.730 -5.000 -3.788 1.00 0.00 N ATOM 0 H ASN A 67 7.754 -2.203 -2.730 1.00 0.00 H new ATOM 0 HA ASN A 67 6.806 -2.629 -5.411 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.330 -4.519 -3.051 1.00 0.00 H new ATOM 0 HB3 ASN A 67 6.957 -5.066 -4.673 1.00 0.00 H new ATOM 0 HD21 ASN A 67 10.728 -5.012 -4.000 1.00 0.00 H new ATOM 0 HD22 ASN A 67 9.358 -5.601 -3.053 1.00 0.00 H new ATOM 1037 N PHE A 68 4.537 -2.398 -3.229 1.00 0.00 N ATOM 1038 CA PHE A 68 3.118 -2.538 -2.853 1.00 0.00 C ATOM 1039 C PHE A 68 2.179 -2.039 -3.967 1.00 0.00 C ATOM 1040 O PHE A 68 1.007 -2.385 -3.974 1.00 0.00 O ATOM 1041 CB PHE A 68 2.815 -1.755 -1.539 1.00 0.00 C ATOM 1042 CG PHE A 68 2.391 -0.284 -1.732 1.00 0.00 C ATOM 1043 CD1 PHE A 68 3.303 0.678 -2.164 1.00 0.00 C ATOM 1044 CD2 PHE A 68 1.069 0.117 -1.499 1.00 0.00 C ATOM 1045 CE1 PHE A 68 2.908 1.986 -2.356 1.00 0.00 C ATOM 1046 CE2 PHE A 68 0.680 1.427 -1.686 1.00 0.00 C ATOM 1047 CZ PHE A 68 1.601 2.361 -2.114 1.00 0.00 C ATOM 0 H PHE A 68 5.023 -1.667 -2.710 1.00 0.00 H new ATOM 0 HA PHE A 68 2.935 -3.601 -2.696 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.025 -2.276 -0.999 1.00 0.00 H new ATOM 0 HB3 PHE A 68 3.703 -1.780 -0.907 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.329 0.397 -2.350 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.343 -0.611 -1.168 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.624 2.719 -2.697 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.342 1.721 -1.498 1.00 0.00 H new ATOM 0 HZ PHE A 68 1.299 3.388 -2.260 1.00 0.00 H new ATOM 1057 N ALA A 69 2.706 -1.235 -4.911 1.00 0.00 N ATOM 1058 CA ALA A 69 1.859 -0.479 -5.850 1.00 0.00 C ATOM 1059 C ALA A 69 1.277 -1.450 -6.888 1.00 0.00 C ATOM 1060 O ALA A 69 0.096 -1.398 -7.229 1.00 0.00 O ATOM 1061 CB ALA A 69 2.672 0.641 -6.518 1.00 0.00 C ATOM 0 H ALA A 69 3.708 -1.094 -5.042 1.00 0.00 H new ATOM 0 HA ALA A 69 1.036 -0.006 -5.313 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.034 1.191 -7.209 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.051 1.321 -5.755 1.00 0.00 H new ATOM 0 HB3 ALA A 69 3.509 0.207 -7.065 1.00 0.00 H new ATOM 1067 N SER A 70 2.156 -2.332 -7.366 1.00 0.00 N ATOM 1068 CA SER A 70 1.806 -3.461 -8.234 1.00 0.00 C ATOM 1069 C SER A 70 1.142 -4.606 -7.425 1.00 0.00 C ATOM 1070 O SER A 70 0.221 -5.262 -7.924 1.00 0.00 O ATOM 1071 CB SER A 70 3.082 -3.939 -8.969 1.00 0.00 C ATOM 1072 OG SER A 70 4.168 -4.067 -8.063 1.00 0.00 O ATOM 0 H SER A 70 3.153 -2.282 -7.157 1.00 0.00 H new ATOM 0 HA SER A 70 1.072 -3.141 -8.973 1.00 0.00 H new ATOM 0 HB2 SER A 70 2.891 -4.897 -9.453 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.341 -3.231 -9.756 1.00 0.00 H new ATOM 0 HG SER A 70 4.964 -4.372 -8.547 1.00 0.00 H new ATOM 1078 N ASP A 71 1.606 -4.814 -6.166 1.00 0.00 N ATOM 1079 CA ASP A 71 1.192 -5.967 -5.322 1.00 0.00 C ATOM 1080 C ASP A 71 -0.266 -5.835 -4.835 1.00 0.00 C ATOM 1081 O ASP A 71 -1.062 -6.735 -5.050 1.00 0.00 O ATOM 1082 CB ASP A 71 2.146 -6.130 -4.112 1.00 0.00 C ATOM 1083 CG ASP A 71 1.887 -7.420 -3.305 1.00 0.00 C ATOM 1084 OD1 ASP A 71 2.460 -8.480 -3.657 1.00 0.00 O ATOM 1085 OD2 ASP A 71 1.119 -7.395 -2.323 1.00 0.00 O ATOM 0 H ASP A 71 2.273 -4.192 -5.709 1.00 0.00 H new ATOM 0 HA ASP A 71 1.252 -6.858 -5.946 1.00 0.00 H new ATOM 0 HB2 ASP A 71 3.176 -6.132 -4.467 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.038 -5.269 -3.453 1.00 0.00 H new ATOM 1090 N ALA A 72 -0.570 -4.725 -4.136 1.00 0.00 N ATOM 1091 CA ALA A 72 -1.935 -4.394 -3.643 1.00 0.00 C ATOM 1092 C ALA A 72 -3.005 -4.523 -4.743 1.00 0.00 C ATOM 1093 O ALA A 72 -4.093 -5.069 -4.511 1.00 0.00 O ATOM 1094 CB ALA A 72 -1.957 -2.976 -3.049 1.00 0.00 C ATOM 0 H ALA A 72 0.127 -4.021 -3.891 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.180 -5.119 -2.867 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.961 -2.747 -2.692 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.255 -2.919 -2.218 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.671 -2.256 -3.816 1.00 0.00 H new ATOM 1100 N THR A 73 -2.668 -4.018 -5.943 1.00 0.00 N ATOM 1101 CA THR A 73 -3.538 -4.115 -7.120 1.00 0.00 C ATOM 1102 C THR A 73 -3.720 -5.590 -7.529 1.00 0.00 C ATOM 1103 O THR A 73 -4.844 -6.022 -7.778 1.00 0.00 O ATOM 1104 CB THR A 73 -2.965 -3.287 -8.315 1.00 0.00 C ATOM 1105 OG1 THR A 73 -2.662 -1.955 -7.872 1.00 0.00 O ATOM 1106 CG2 THR A 73 -3.952 -3.214 -9.505 1.00 0.00 C ATOM 0 H THR A 73 -1.788 -3.534 -6.120 1.00 0.00 H new ATOM 0 HA THR A 73 -4.510 -3.698 -6.857 1.00 0.00 H new ATOM 0 HB THR A 73 -2.063 -3.793 -8.661 1.00 0.00 H new ATOM 0 HG1 THR A 73 -1.703 -1.883 -7.682 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.508 -2.628 -10.310 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.165 -4.221 -9.864 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.879 -2.741 -9.180 1.00 0.00 H new ATOM 1114 N ARG A 74 -2.594 -6.341 -7.584 1.00 0.00 N ATOM 1115 CA ARG A 74 -2.586 -7.790 -7.885 1.00 0.00 C ATOM 1116 C ARG A 74 -3.528 -8.573 -6.948 1.00 0.00 C ATOM 1117 O ARG A 74 -4.269 -9.424 -7.418 1.00 0.00 O ATOM 1118 CB ARG A 74 -1.144 -8.380 -7.806 1.00 0.00 C ATOM 1119 CG ARG A 74 -1.075 -9.916 -8.023 1.00 0.00 C ATOM 1120 CD ARG A 74 0.323 -10.508 -7.791 1.00 0.00 C ATOM 1121 NE ARG A 74 0.311 -11.983 -7.903 1.00 0.00 N ATOM 1122 CZ ARG A 74 1.258 -12.812 -7.432 1.00 0.00 C ATOM 1123 NH1 ARG A 74 2.326 -12.344 -6.786 1.00 0.00 N ATOM 1124 NH2 ARG A 74 1.119 -14.115 -7.604 1.00 0.00 N ATOM 0 H ARG A 74 -1.664 -5.956 -7.420 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.951 -7.900 -8.906 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -0.521 -7.890 -8.554 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -0.718 -8.142 -6.831 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.782 -10.402 -7.350 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -1.393 -10.145 -9.040 1.00 0.00 H new ATOM 0 HD2 ARG A 74 1.021 -10.092 -8.518 1.00 0.00 H new ATOM 0 HD3 ARG A 74 0.682 -10.220 -6.803 1.00 0.00 H new ATOM 0 HE ARG A 74 -0.485 -12.408 -8.379 1.00 0.00 H new ATOM 0 HH11 ARG A 74 2.435 -11.340 -6.642 1.00 0.00 H new ATOM 0 HH12 ARG A 74 3.034 -12.990 -6.436 1.00 0.00 H new ATOM 0 HH21 ARG A 74 0.300 -14.481 -8.090 1.00 0.00 H new ATOM 0 HH22 ARG A 74 1.831 -14.755 -7.251 1.00 0.00 H new ATOM 1138 N VAL A 75 -3.492 -8.264 -5.634 1.00 0.00 N ATOM 1139 CA VAL A 75 -4.306 -8.969 -4.614 1.00 0.00 C ATOM 1140 C VAL A 75 -5.807 -8.800 -4.925 1.00 0.00 C ATOM 1141 O VAL A 75 -6.596 -9.746 -4.791 1.00 0.00 O ATOM 1142 CB VAL A 75 -4.008 -8.455 -3.155 1.00 0.00 C ATOM 1143 CG1 VAL A 75 -4.854 -9.204 -2.086 1.00 0.00 C ATOM 1144 CG2 VAL A 75 -2.503 -8.552 -2.821 1.00 0.00 C ATOM 0 H VAL A 75 -2.903 -7.525 -5.250 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.034 -10.024 -4.657 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.299 -7.405 -3.128 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.615 -8.816 -1.096 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.914 -9.052 -2.289 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.627 -10.269 -2.123 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.331 -8.190 -1.807 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -2.180 -9.590 -2.895 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -1.934 -7.944 -3.525 1.00 0.00 H new ATOM 1154 N ALA A 76 -6.176 -7.589 -5.381 1.00 0.00 N ATOM 1155 CA ALA A 76 -7.544 -7.265 -5.786 1.00 0.00 C ATOM 1156 C ALA A 76 -7.913 -7.990 -7.094 1.00 0.00 C ATOM 1157 O ALA A 76 -9.024 -8.504 -7.234 1.00 0.00 O ATOM 1158 CB ALA A 76 -7.682 -5.747 -5.951 1.00 0.00 C ATOM 0 H ALA A 76 -5.526 -6.809 -5.477 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.233 -7.604 -5.012 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -8.701 -5.505 -6.253 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -7.458 -5.256 -5.004 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.985 -5.399 -6.714 1.00 0.00 H new ATOM 1164 N GLN A 77 -6.951 -8.014 -8.044 1.00 0.00 N ATOM 1165 CA GLN A 77 -7.094 -8.686 -9.360 1.00 0.00 C ATOM 1166 C GLN A 77 -7.342 -10.191 -9.195 1.00 0.00 C ATOM 1167 O GLN A 77 -8.069 -10.797 -9.989 1.00 0.00 O ATOM 1168 CB GLN A 77 -5.840 -8.433 -10.250 1.00 0.00 C ATOM 1169 CG GLN A 77 -5.676 -6.972 -10.706 1.00 0.00 C ATOM 1170 CD GLN A 77 -4.405 -6.692 -11.516 1.00 0.00 C ATOM 1171 OE1 GLN A 77 -3.375 -7.341 -11.339 1.00 0.00 O ATOM 1172 NE2 GLN A 77 -4.459 -5.701 -12.389 1.00 0.00 N ATOM 0 H GLN A 77 -6.044 -7.564 -7.920 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.963 -8.256 -9.857 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -4.949 -8.732 -9.697 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -5.898 -9.073 -11.131 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -6.542 -6.694 -11.307 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -5.679 -6.329 -9.826 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -5.326 -5.179 -12.515 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -3.633 -5.458 -12.936 1.00 0.00 H new ATOM 1181 N LYS A 78 -6.727 -10.771 -8.150 1.00 0.00 N ATOM 1182 CA LYS A 78 -6.917 -12.178 -7.775 1.00 0.00 C ATOM 1183 C LYS A 78 -8.383 -12.479 -7.404 1.00 0.00 C ATOM 1184 O LYS A 78 -8.884 -13.562 -7.724 1.00 0.00 O ATOM 1185 CB LYS A 78 -5.981 -12.568 -6.598 1.00 0.00 C ATOM 1186 CG LYS A 78 -4.470 -12.517 -6.923 1.00 0.00 C ATOM 1187 CD LYS A 78 -3.576 -12.877 -5.711 1.00 0.00 C ATOM 1188 CE LYS A 78 -3.822 -14.311 -5.203 1.00 0.00 C ATOM 1189 NZ LYS A 78 -3.516 -15.337 -6.237 1.00 0.00 N ATOM 0 H LYS A 78 -6.080 -10.271 -7.540 1.00 0.00 H new ATOM 0 HA LYS A 78 -6.660 -12.779 -8.647 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.180 -11.902 -5.759 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.234 -13.577 -6.271 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -4.257 -13.205 -7.741 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -4.213 -11.517 -7.272 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.528 -12.769 -5.991 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.764 -12.171 -4.902 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.207 -14.492 -4.321 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.862 -14.411 -4.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.598 -16.286 -5.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.188 -15.246 -7.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.548 -15.197 -6.589 1.00 0.00 H new ATOM 1203 N HIS A 79 -9.077 -11.521 -6.738 1.00 0.00 N ATOM 1204 CA HIS A 79 -10.476 -11.741 -6.312 1.00 0.00 C ATOM 1205 C HIS A 79 -11.443 -11.338 -7.450 1.00 0.00 C ATOM 1206 O HIS A 79 -12.504 -11.947 -7.599 1.00 0.00 O ATOM 1207 CB HIS A 79 -10.760 -10.932 -5.010 1.00 0.00 C ATOM 1208 CG HIS A 79 -12.029 -11.311 -4.265 1.00 0.00 C ATOM 1209 ND1 HIS A 79 -12.034 -12.160 -3.180 1.00 0.00 N ATOM 1210 CD2 HIS A 79 -13.317 -10.924 -4.426 1.00 0.00 C ATOM 1211 CE1 HIS A 79 -13.264 -12.276 -2.715 1.00 0.00 C ATOM 1212 NE2 HIS A 79 -14.062 -11.531 -3.451 1.00 0.00 N ATOM 0 H HIS A 79 -8.697 -10.608 -6.490 1.00 0.00 H new ATOM 0 HA HIS A 79 -10.634 -12.798 -6.097 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -9.913 -11.055 -4.335 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -10.812 -9.874 -5.265 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -11.213 -12.627 -2.795 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -13.690 -10.256 -5.188 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -13.565 -12.881 -1.872 1.00 0.00 H new ATOM 1221 N GLY A 80 -11.078 -10.306 -8.254 1.00 0.00 N ATOM 1222 CA GLY A 80 -11.610 -10.167 -9.621 1.00 0.00 C ATOM 1223 C GLY A 80 -11.647 -8.714 -10.116 1.00 0.00 C ATOM 1224 O GLY A 80 -12.624 -8.291 -10.746 1.00 0.00 O ATOM 0 H GLY A 80 -10.426 -9.571 -7.978 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -11.000 -10.760 -10.302 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.618 -10.580 -9.654 1.00 0.00 H new ATOM 1228 N LEU A 81 -10.580 -7.944 -9.817 1.00 0.00 N ATOM 1229 CA LEU A 81 -10.395 -6.563 -10.333 1.00 0.00 C ATOM 1230 C LEU A 81 -9.784 -6.648 -11.747 1.00 0.00 C ATOM 1231 O LEU A 81 -8.832 -7.405 -11.972 1.00 0.00 O ATOM 1232 CB LEU A 81 -9.508 -5.742 -9.321 1.00 0.00 C ATOM 1233 CG LEU A 81 -9.093 -4.241 -9.640 1.00 0.00 C ATOM 1234 CD1 LEU A 81 -7.769 -4.140 -10.426 1.00 0.00 C ATOM 1235 CD2 LEU A 81 -10.203 -3.460 -10.363 1.00 0.00 C ATOM 0 H LEU A 81 -9.821 -8.258 -9.212 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.345 -6.035 -10.416 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.034 -5.734 -8.367 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.587 -6.305 -9.172 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.937 -3.777 -8.666 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.537 -3.092 -10.615 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.965 -4.591 -9.844 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.868 -4.666 -11.375 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.865 -2.442 -10.556 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.436 -3.950 -11.308 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -11.096 -3.434 -9.738 1.00 0.00 H new ATOM 1466 N TYR A 95 4.168 5.136 -10.124 1.00 0.00 N ATOM 1467 CA TYR A 95 5.036 4.344 -9.251 1.00 0.00 C ATOM 1468 C TYR A 95 6.276 5.147 -8.857 1.00 0.00 C ATOM 1469 O TYR A 95 6.614 5.204 -7.692 1.00 0.00 O ATOM 1470 CB TYR A 95 5.456 3.032 -9.971 1.00 0.00 C ATOM 1471 CG TYR A 95 6.439 2.145 -9.175 1.00 0.00 C ATOM 1472 CD1 TYR A 95 5.986 1.290 -8.171 1.00 0.00 C ATOM 1473 CD2 TYR A 95 7.821 2.176 -9.423 1.00 0.00 C ATOM 1474 CE1 TYR A 95 6.862 0.506 -7.454 1.00 0.00 C ATOM 1475 CE2 TYR A 95 8.698 1.394 -8.701 1.00 0.00 C ATOM 1476 CZ TYR A 95 8.214 0.558 -7.717 1.00 0.00 C ATOM 1477 OH TYR A 95 9.086 -0.223 -6.986 1.00 0.00 O ATOM 0 HA TYR A 95 4.484 4.093 -8.345 1.00 0.00 H new ATOM 0 HB2 TYR A 95 4.560 2.451 -10.191 1.00 0.00 H new ATOM 0 HB3 TYR A 95 5.912 3.288 -10.927 1.00 0.00 H new ATOM 0 HD1 TYR A 95 4.930 1.242 -7.952 1.00 0.00 H new ATOM 0 HD2 TYR A 95 8.205 2.826 -10.195 1.00 0.00 H new ATOM 0 HE1 TYR A 95 6.488 -0.152 -6.683 1.00 0.00 H new ATOM 0 HE2 TYR A 95 9.758 1.436 -8.905 1.00 0.00 H new ATOM 0 HH TYR A 95 10.002 -0.069 -7.297 1.00 0.00 H new ATOM 1487 N ASP A 96 6.926 5.755 -9.862 1.00 0.00 N ATOM 1488 CA ASP A 96 8.175 6.530 -9.695 1.00 0.00 C ATOM 1489 C ASP A 96 8.013 7.716 -8.722 1.00 0.00 C ATOM 1490 O ASP A 96 8.928 8.014 -7.940 1.00 0.00 O ATOM 1491 CB ASP A 96 8.632 7.022 -11.090 1.00 0.00 C ATOM 1492 CG ASP A 96 9.835 7.980 -11.083 1.00 0.00 C ATOM 1493 OD1 ASP A 96 10.962 7.527 -10.824 1.00 0.00 O ATOM 1494 OD2 ASP A 96 9.657 9.189 -11.347 1.00 0.00 O ATOM 0 H ASP A 96 6.598 5.724 -10.827 1.00 0.00 H new ATOM 0 HA ASP A 96 8.930 5.880 -9.253 1.00 0.00 H new ATOM 0 HB2 ASP A 96 8.882 6.154 -11.700 1.00 0.00 H new ATOM 0 HB3 ASP A 96 7.793 7.521 -11.575 1.00 0.00 H new ATOM 1499 N ALA A 97 6.848 8.382 -8.771 1.00 0.00 N ATOM 1500 CA ALA A 97 6.574 9.561 -7.931 1.00 0.00 C ATOM 1501 C ALA A 97 6.298 9.155 -6.466 1.00 0.00 C ATOM 1502 O ALA A 97 6.875 9.730 -5.534 1.00 0.00 O ATOM 1503 CB ALA A 97 5.404 10.360 -8.517 1.00 0.00 C ATOM 0 H ALA A 97 6.077 8.123 -9.386 1.00 0.00 H new ATOM 0 HA ALA A 97 7.460 10.196 -7.926 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.208 11.230 -7.890 1.00 0.00 H new ATOM 0 HB2 ALA A 97 5.656 10.688 -9.525 1.00 0.00 H new ATOM 0 HB3 ALA A 97 4.515 9.730 -8.553 1.00 0.00 H new ATOM 1509 N MET A 98 5.409 8.161 -6.274 1.00 0.00 N ATOM 1510 CA MET A 98 5.076 7.615 -4.931 1.00 0.00 C ATOM 1511 C MET A 98 6.294 6.905 -4.288 1.00 0.00 C ATOM 1512 O MET A 98 6.442 6.901 -3.072 1.00 0.00 O ATOM 1513 CB MET A 98 3.854 6.662 -5.040 1.00 0.00 C ATOM 1514 CG MET A 98 3.330 6.112 -3.698 1.00 0.00 C ATOM 1515 SD MET A 98 1.777 5.204 -3.870 1.00 0.00 S ATOM 1516 CE MET A 98 0.651 6.489 -4.418 1.00 0.00 C ATOM 0 H MET A 98 4.901 7.712 -7.036 1.00 0.00 H new ATOM 0 HA MET A 98 4.813 8.444 -4.274 1.00 0.00 H new ATOM 0 HB2 MET A 98 3.043 7.192 -5.539 1.00 0.00 H new ATOM 0 HB3 MET A 98 4.125 5.821 -5.678 1.00 0.00 H new ATOM 0 HG2 MET A 98 4.083 5.456 -3.261 1.00 0.00 H new ATOM 0 HG3 MET A 98 3.187 6.939 -3.003 1.00 0.00 H new ATOM 0 HE1 MET A 98 -0.375 6.187 -4.209 1.00 0.00 H new ATOM 0 HE2 MET A 98 0.871 7.416 -3.888 1.00 0.00 H new ATOM 0 HE3 MET A 98 0.772 6.646 -5.490 1.00 0.00 H new ATOM 1526 N PHE A 99 7.125 6.296 -5.146 1.00 0.00 N ATOM 1527 CA PHE A 99 8.461 5.754 -4.777 1.00 0.00 C ATOM 1528 C PHE A 99 9.268 6.831 -4.018 1.00 0.00 C ATOM 1529 O PHE A 99 9.829 6.564 -2.956 1.00 0.00 O ATOM 1530 CB PHE A 99 9.234 5.290 -6.048 1.00 0.00 C ATOM 1531 CG PHE A 99 10.521 4.481 -5.806 1.00 0.00 C ATOM 1532 CD1 PHE A 99 11.698 5.093 -5.365 1.00 0.00 C ATOM 1533 CD2 PHE A 99 10.558 3.107 -6.049 1.00 0.00 C ATOM 1534 CE1 PHE A 99 12.855 4.365 -5.171 1.00 0.00 C ATOM 1535 CE2 PHE A 99 11.718 2.378 -5.852 1.00 0.00 C ATOM 1536 CZ PHE A 99 12.864 3.008 -5.415 1.00 0.00 C ATOM 0 H PHE A 99 6.895 6.159 -6.130 1.00 0.00 H new ATOM 0 HA PHE A 99 8.324 4.889 -4.128 1.00 0.00 H new ATOM 0 HB2 PHE A 99 8.560 4.687 -6.657 1.00 0.00 H new ATOM 0 HB3 PHE A 99 9.490 6.173 -6.634 1.00 0.00 H new ATOM 0 HD1 PHE A 99 11.702 6.156 -5.172 1.00 0.00 H new ATOM 0 HD2 PHE A 99 9.667 2.605 -6.396 1.00 0.00 H new ATOM 0 HE1 PHE A 99 13.753 4.858 -4.828 1.00 0.00 H new ATOM 0 HE2 PHE A 99 11.725 1.315 -6.041 1.00 0.00 H new ATOM 0 HZ PHE A 99 13.769 2.438 -5.264 1.00 0.00 H new ATOM 1546 N GLU A 100 9.247 8.061 -4.560 1.00 0.00 N ATOM 1547 CA GLU A 100 9.978 9.201 -3.990 1.00 0.00 C ATOM 1548 C GLU A 100 9.297 9.750 -2.728 1.00 0.00 C ATOM 1549 O GLU A 100 9.971 10.307 -1.854 1.00 0.00 O ATOM 1550 CB GLU A 100 10.193 10.309 -5.040 1.00 0.00 C ATOM 1551 CG GLU A 100 11.090 9.887 -6.218 1.00 0.00 C ATOM 1552 CD GLU A 100 12.502 9.452 -5.779 1.00 0.00 C ATOM 1553 OE1 GLU A 100 13.351 10.328 -5.541 1.00 0.00 O ATOM 1554 OE2 GLU A 100 12.765 8.234 -5.656 1.00 0.00 O ATOM 0 H GLU A 100 8.723 8.290 -5.404 1.00 0.00 H new ATOM 0 HA GLU A 100 10.959 8.833 -3.688 1.00 0.00 H new ATOM 0 HB2 GLU A 100 9.223 10.621 -5.428 1.00 0.00 H new ATOM 0 HB3 GLU A 100 10.636 11.177 -4.552 1.00 0.00 H new ATOM 0 HG2 GLU A 100 10.614 9.066 -6.753 1.00 0.00 H new ATOM 0 HG3 GLU A 100 11.174 10.718 -6.919 1.00 0.00 H new ATOM 1561 N ASP A 101 7.972 9.592 -2.639 1.00 0.00 N ATOM 1562 CA ASP A 101 7.203 10.016 -1.458 1.00 0.00 C ATOM 1563 C ASP A 101 7.551 9.128 -0.243 1.00 0.00 C ATOM 1564 O ASP A 101 7.939 9.628 0.812 1.00 0.00 O ATOM 1565 CB ASP A 101 5.684 9.967 -1.758 1.00 0.00 C ATOM 1566 CG ASP A 101 4.822 10.519 -0.605 1.00 0.00 C ATOM 1567 OD1 ASP A 101 4.571 11.746 -0.573 1.00 0.00 O ATOM 1568 OD2 ASP A 101 4.404 9.739 0.280 1.00 0.00 O ATOM 0 H ASP A 101 7.404 9.171 -3.375 1.00 0.00 H new ATOM 0 HA ASP A 101 7.471 11.045 -1.217 1.00 0.00 H new ATOM 0 HB2 ASP A 101 5.480 10.539 -2.663 1.00 0.00 H new ATOM 0 HB3 ASP A 101 5.393 8.936 -1.960 1.00 0.00 H new ATOM 1573 N ILE A 102 7.392 7.807 -0.428 1.00 0.00 N ATOM 1574 CA ILE A 102 7.712 6.775 0.581 1.00 0.00 C ATOM 1575 C ILE A 102 9.204 6.812 1.005 1.00 0.00 C ATOM 1576 O ILE A 102 9.504 6.708 2.190 1.00 0.00 O ATOM 1577 CB ILE A 102 7.321 5.343 0.038 1.00 0.00 C ATOM 1578 CG1 ILE A 102 5.793 5.288 -0.298 1.00 0.00 C ATOM 1579 CG2 ILE A 102 7.708 4.206 1.021 1.00 0.00 C ATOM 1580 CD1 ILE A 102 5.318 3.973 -0.895 1.00 0.00 C ATOM 0 H ILE A 102 7.031 7.416 -1.298 1.00 0.00 H new ATOM 0 HA ILE A 102 7.123 6.993 1.472 1.00 0.00 H new ATOM 0 HB ILE A 102 7.895 5.178 -0.874 1.00 0.00 H new ATOM 0 HG12 ILE A 102 5.228 5.482 0.614 1.00 0.00 H new ATOM 0 HG13 ILE A 102 5.560 6.093 -0.995 1.00 0.00 H new ATOM 0 HG21 ILE A 102 7.417 3.245 0.598 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.785 4.218 1.186 1.00 0.00 H new ATOM 0 HG23 ILE A 102 7.194 4.355 1.971 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.248 4.029 -1.094 1.00 0.00 H new ATOM 0 HD12 ILE A 102 5.851 3.783 -1.827 1.00 0.00 H new ATOM 0 HD13 ILE A 102 5.514 3.163 -0.193 1.00 0.00 H new ATOM 1592 N ARG A 103 10.121 6.990 0.029 1.00 0.00 N ATOM 1593 CA ARG A 103 11.580 7.050 0.327 1.00 0.00 C ATOM 1594 C ARG A 103 11.899 8.271 1.221 1.00 0.00 C ATOM 1595 O ARG A 103 12.841 8.243 2.019 1.00 0.00 O ATOM 1596 CB ARG A 103 12.475 6.962 -0.959 1.00 0.00 C ATOM 1597 CG ARG A 103 12.573 8.205 -1.867 1.00 0.00 C ATOM 1598 CD ARG A 103 13.526 9.297 -1.353 1.00 0.00 C ATOM 1599 NE ARG A 103 14.890 8.793 -1.130 1.00 0.00 N ATOM 1600 CZ ARG A 103 15.741 9.252 -0.202 1.00 0.00 C ATOM 1601 NH1 ARG A 103 15.364 10.169 0.680 1.00 0.00 N ATOM 1602 NH2 ARG A 103 16.968 8.767 -0.145 1.00 0.00 N ATOM 0 H ARG A 103 9.888 7.094 -0.959 1.00 0.00 H new ATOM 0 HA ARG A 103 11.841 6.157 0.895 1.00 0.00 H new ATOM 0 HB2 ARG A 103 13.485 6.700 -0.644 1.00 0.00 H new ATOM 0 HB3 ARG A 103 12.105 6.135 -1.566 1.00 0.00 H new ATOM 0 HG2 ARG A 103 12.902 7.891 -2.858 1.00 0.00 H new ATOM 0 HG3 ARG A 103 11.578 8.634 -1.983 1.00 0.00 H new ATOM 0 HD2 ARG A 103 13.557 10.116 -2.072 1.00 0.00 H new ATOM 0 HD3 ARG A 103 13.136 9.706 -0.421 1.00 0.00 H new ATOM 0 HE ARG A 103 15.214 8.034 -1.729 1.00 0.00 H new ATOM 0 HH11 ARG A 103 14.413 10.536 0.659 1.00 0.00 H new ATOM 0 HH12 ARG A 103 16.026 10.507 1.379 1.00 0.00 H new ATOM 0 HH21 ARG A 103 17.263 8.047 -0.805 1.00 0.00 H new ATOM 0 HH22 ARG A 103 17.621 9.112 0.559 1.00 0.00 H new ATOM 1616 N ALA A 104 11.105 9.344 1.045 1.00 0.00 N ATOM 1617 CA ALA A 104 11.248 10.592 1.803 1.00 0.00 C ATOM 1618 C ALA A 104 10.703 10.420 3.236 1.00 0.00 C ATOM 1619 O ALA A 104 11.388 10.746 4.210 1.00 0.00 O ATOM 1620 CB ALA A 104 10.536 11.740 1.074 1.00 0.00 C ATOM 0 H ALA A 104 10.343 9.365 0.368 1.00 0.00 H new ATOM 0 HA ALA A 104 12.307 10.840 1.876 1.00 0.00 H new ATOM 0 HB1 ALA A 104 10.649 12.661 1.647 1.00 0.00 H new ATOM 0 HB2 ALA A 104 10.976 11.871 0.085 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.477 11.505 0.972 1.00 0.00 H new ATOM 1626 N LYS A 105 9.452 9.932 3.339 1.00 0.00 N ATOM 1627 CA LYS A 105 8.763 9.646 4.611 1.00 0.00 C ATOM 1628 C LYS A 105 9.551 8.687 5.524 1.00 0.00 C ATOM 1629 O LYS A 105 9.759 8.979 6.698 1.00 0.00 O ATOM 1630 CB LYS A 105 7.366 9.044 4.287 1.00 0.00 C ATOM 1631 CG LYS A 105 6.532 8.593 5.511 1.00 0.00 C ATOM 1632 CD LYS A 105 6.180 9.735 6.490 1.00 0.00 C ATOM 1633 CE LYS A 105 5.290 10.806 5.847 1.00 0.00 C ATOM 1634 NZ LYS A 105 4.965 11.899 6.798 1.00 0.00 N ATOM 0 H LYS A 105 8.880 9.721 2.521 1.00 0.00 H new ATOM 0 HA LYS A 105 8.671 10.583 5.161 1.00 0.00 H new ATOM 0 HB2 LYS A 105 6.791 9.785 3.731 1.00 0.00 H new ATOM 0 HB3 LYS A 105 7.504 8.187 3.628 1.00 0.00 H new ATOM 0 HG2 LYS A 105 5.609 8.134 5.159 1.00 0.00 H new ATOM 0 HG3 LYS A 105 7.085 7.824 6.050 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.672 9.320 7.360 1.00 0.00 H new ATOM 0 HD3 LYS A 105 7.099 10.198 6.848 1.00 0.00 H new ATOM 0 HE2 LYS A 105 5.795 11.222 4.975 1.00 0.00 H new ATOM 0 HE3 LYS A 105 4.367 10.347 5.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 4.362 12.603 6.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 4.461 11.507 7.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 5.844 12.355 7.117 1.00 0.00 H new ATOM 1648 N LEU A 106 9.940 7.531 4.976 1.00 0.00 N ATOM 1649 CA LEU A 106 10.717 6.505 5.709 1.00 0.00 C ATOM 1650 C LEU A 106 12.109 7.033 6.139 1.00 0.00 C ATOM 1651 O LEU A 106 12.662 6.571 7.139 1.00 0.00 O ATOM 1652 CB LEU A 106 10.846 5.195 4.870 1.00 0.00 C ATOM 1653 CG LEU A 106 9.622 4.214 4.903 1.00 0.00 C ATOM 1654 CD1 LEU A 106 8.299 4.907 4.531 1.00 0.00 C ATOM 1655 CD2 LEU A 106 9.868 3.000 3.983 1.00 0.00 C ATOM 0 H LEU A 106 9.729 7.273 4.012 1.00 0.00 H new ATOM 0 HA LEU A 106 10.166 6.271 6.620 1.00 0.00 H new ATOM 0 HB2 LEU A 106 11.032 5.472 3.832 1.00 0.00 H new ATOM 0 HB3 LEU A 106 11.726 4.653 5.218 1.00 0.00 H new ATOM 0 HG LEU A 106 9.526 3.868 5.932 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.485 4.183 4.570 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.100 5.714 5.236 1.00 0.00 H new ATOM 0 HD13 LEU A 106 8.373 5.316 3.523 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.006 2.334 4.022 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.015 3.343 2.959 1.00 0.00 H new ATOM 0 HD23 LEU A 106 10.756 2.464 4.317 1.00 0.00 H new ATOM 1667 N HIS A 107 12.638 8.011 5.378 1.00 0.00 N ATOM 1668 CA HIS A 107 13.885 8.730 5.745 1.00 0.00 C ATOM 1669 C HIS A 107 13.625 9.610 6.994 1.00 0.00 C ATOM 1670 O HIS A 107 14.539 9.873 7.788 1.00 0.00 O ATOM 1671 CB HIS A 107 14.405 9.579 4.555 1.00 0.00 C ATOM 1672 CG HIS A 107 15.825 10.089 4.707 1.00 0.00 C ATOM 1673 ND1 HIS A 107 16.924 9.406 4.224 1.00 0.00 N ATOM 1674 CD2 HIS A 107 16.319 11.212 5.291 1.00 0.00 C ATOM 1675 CE1 HIS A 107 18.022 10.081 4.507 1.00 0.00 C ATOM 1676 NE2 HIS A 107 17.682 11.179 5.152 1.00 0.00 N ATOM 0 H HIS A 107 12.223 8.326 4.501 1.00 0.00 H new ATOM 0 HA HIS A 107 14.660 8.002 5.985 1.00 0.00 H new ATOM 0 HB2 HIS A 107 14.345 8.980 3.646 1.00 0.00 H new ATOM 0 HB3 HIS A 107 13.741 10.432 4.419 1.00 0.00 H new ATOM 0 HD2 HIS A 107 15.744 11.987 5.775 1.00 0.00 H new ATOM 0 HE1 HIS A 107 19.029 9.784 4.253 1.00 0.00 H new ATOM 0 HE2 HIS A 107 18.329 11.890 5.493 1.00 0.00 H new ATOM 1685 N ALA A 108 12.363 10.103 7.092 1.00 0.00 N ATOM 1686 CA ALA A 108 11.785 10.775 8.289 1.00 0.00 C ATOM 1687 C ALA A 108 12.317 12.198 8.502 1.00 0.00 C ATOM 1688 O ALA A 108 11.906 12.891 9.439 1.00 0.00 O ATOM 1689 CB ALA A 108 11.958 9.908 9.549 1.00 0.00 C ATOM 0 H ALA A 108 11.700 10.043 6.320 1.00 0.00 H new ATOM 0 HA ALA A 108 10.718 10.884 8.095 1.00 0.00 H new ATOM 0 HB1 ALA A 108 11.527 10.423 10.407 1.00 0.00 H new ATOM 0 HB2 ALA A 108 11.451 8.954 9.406 1.00 0.00 H new ATOM 0 HB3 ALA A 108 13.019 9.732 9.727 1.00 0.00 H new ATOM 1727 N GLY A 111 15.495 15.508 3.643 1.00 0.00 N ATOM 1728 CA GLY A 111 16.924 15.485 3.347 1.00 0.00 C ATOM 1729 C GLY A 111 17.203 15.130 1.909 1.00 0.00 C ATOM 1730 O GLY A 111 17.963 14.200 1.617 1.00 0.00 O ATOM 0 HA2 GLY A 111 17.355 16.462 3.568 1.00 0.00 H new ATOM 0 HA3 GLY A 111 17.417 14.764 3.999 1.00 0.00 H new ATOM 1734 N GLU A 112 16.561 15.872 1.008 1.00 0.00 N ATOM 1735 CA GLU A 112 16.785 15.762 -0.440 1.00 0.00 C ATOM 1736 C GLU A 112 18.159 16.394 -0.772 1.00 0.00 C ATOM 1737 O GLU A 112 18.610 17.265 -0.012 1.00 0.00 O ATOM 1738 CB GLU A 112 15.646 16.486 -1.218 1.00 0.00 C ATOM 1739 CG GLU A 112 14.214 15.924 -1.008 1.00 0.00 C ATOM 1740 CD GLU A 112 13.670 16.065 0.434 1.00 0.00 C ATOM 1741 OE1 GLU A 112 13.449 17.210 0.881 1.00 0.00 O ATOM 1742 OE2 GLU A 112 13.476 15.036 1.128 1.00 0.00 O ATOM 0 H GLU A 112 15.864 16.573 1.260 1.00 0.00 H new ATOM 0 HA GLU A 112 16.781 14.714 -0.740 1.00 0.00 H new ATOM 0 HB2 GLU A 112 15.648 17.537 -0.930 1.00 0.00 H new ATOM 0 HB3 GLU A 112 15.878 16.446 -2.282 1.00 0.00 H new ATOM 0 HG2 GLU A 112 13.534 16.435 -1.690 1.00 0.00 H new ATOM 0 HG3 GLU A 112 14.208 14.869 -1.283 1.00 0.00 H new ATOM 1749 N PRO A 113 18.873 15.954 -1.870 1.00 0.00 N ATOM 1750 CA PRO A 113 20.161 16.568 -2.284 1.00 0.00 C ATOM 1751 C PRO A 113 20.011 18.087 -2.534 1.00 0.00 C ATOM 1752 O PRO A 113 19.611 18.526 -3.618 1.00 0.00 O ATOM 1753 CB PRO A 113 20.570 15.783 -3.565 1.00 0.00 C ATOM 1754 CG PRO A 113 19.315 15.093 -4.015 1.00 0.00 C ATOM 1755 CD PRO A 113 18.514 14.818 -2.759 1.00 0.00 C ATOM 0 HA PRO A 113 20.928 16.497 -1.512 1.00 0.00 H new ATOM 0 HB2 PRO A 113 20.949 16.455 -4.335 1.00 0.00 H new ATOM 0 HB3 PRO A 113 21.361 15.064 -3.352 1.00 0.00 H new ATOM 0 HG2 PRO A 113 18.752 15.720 -4.707 1.00 0.00 H new ATOM 0 HG3 PRO A 113 19.546 14.166 -4.540 1.00 0.00 H new ATOM 0 HD2 PRO A 113 17.444 14.789 -2.963 1.00 0.00 H new ATOM 0 HD3 PRO A 113 18.780 13.859 -2.314 1.00 0.00 H new ATOM 1763 N VAL A 114 20.250 18.858 -1.464 1.00 0.00 N ATOM 1764 CA VAL A 114 20.158 20.320 -1.470 1.00 0.00 C ATOM 1765 C VAL A 114 21.430 20.913 -2.086 1.00 0.00 C ATOM 1766 O VAL A 114 22.528 20.390 -1.884 1.00 0.00 O ATOM 1767 CB VAL A 114 19.908 20.886 -0.018 1.00 0.00 C ATOM 1768 CG1 VAL A 114 20.981 20.391 0.985 1.00 0.00 C ATOM 1769 CG2 VAL A 114 19.804 22.440 -0.007 1.00 0.00 C ATOM 0 H VAL A 114 20.517 18.475 -0.557 1.00 0.00 H new ATOM 0 HA VAL A 114 19.303 20.614 -2.078 1.00 0.00 H new ATOM 0 HB VAL A 114 18.945 20.493 0.308 1.00 0.00 H new ATOM 0 HG11 VAL A 114 20.773 20.803 1.973 1.00 0.00 H new ATOM 0 HG12 VAL A 114 20.959 19.302 1.034 1.00 0.00 H new ATOM 0 HG13 VAL A 114 21.967 20.719 0.655 1.00 0.00 H new ATOM 0 HG21 VAL A 114 19.632 22.786 1.012 1.00 0.00 H new ATOM 0 HG22 VAL A 114 20.732 22.869 -0.384 1.00 0.00 H new ATOM 0 HG23 VAL A 114 18.975 22.754 -0.641 1.00 0.00 H new ATOM 1779 N ASP A 115 21.260 21.996 -2.844 1.00 0.00 N ATOM 1780 CA ASP A 115 22.345 22.669 -3.568 1.00 0.00 C ATOM 1781 C ASP A 115 22.834 23.899 -2.787 1.00 0.00 C ATOM 1782 O ASP A 115 23.106 24.956 -3.376 1.00 0.00 O ATOM 1783 CB ASP A 115 21.839 23.038 -4.985 1.00 0.00 C ATOM 1784 CG ASP A 115 21.475 21.799 -5.824 1.00 0.00 C ATOM 1785 OD1 ASP A 115 22.396 21.106 -6.305 1.00 0.00 O ATOM 1786 OD2 ASP A 115 20.273 21.502 -5.999 1.00 0.00 O ATOM 0 H ASP A 115 20.351 22.440 -2.976 1.00 0.00 H new ATOM 0 HA ASP A 115 23.203 22.004 -3.668 1.00 0.00 H new ATOM 0 HB2 ASP A 115 20.965 23.683 -4.898 1.00 0.00 H new ATOM 0 HB3 ASP A 115 22.608 23.611 -5.504 1.00 0.00 H new ATOM 1791 N LEU A 116 22.986 23.724 -1.449 1.00 0.00 N ATOM 1792 CA LEU A 116 23.548 24.761 -0.552 1.00 0.00 C ATOM 1793 C LEU A 116 24.982 25.093 -0.989 1.00 0.00 C ATOM 1794 O LEU A 116 25.435 26.234 -0.886 1.00 0.00 O ATOM 1795 CB LEU A 116 23.462 24.320 0.954 1.00 0.00 C ATOM 1796 CG LEU A 116 24.150 22.959 1.384 1.00 0.00 C ATOM 1797 CD1 LEU A 116 25.679 23.082 1.605 1.00 0.00 C ATOM 1798 CD2 LEU A 116 23.481 22.370 2.650 1.00 0.00 C ATOM 0 H LEU A 116 22.723 22.865 -0.966 1.00 0.00 H new ATOM 0 HA LEU A 116 22.953 25.671 -0.633 1.00 0.00 H new ATOM 0 HB2 LEU A 116 23.897 25.116 1.558 1.00 0.00 H new ATOM 0 HB3 LEU A 116 22.407 24.257 1.221 1.00 0.00 H new ATOM 0 HG LEU A 116 24.003 22.279 0.545 1.00 0.00 H new ATOM 0 HD11 LEU A 116 26.084 22.113 1.897 1.00 0.00 H new ATOM 0 HD12 LEU A 116 26.155 23.410 0.681 1.00 0.00 H new ATOM 0 HD13 LEU A 116 25.875 23.810 2.393 1.00 0.00 H new ATOM 0 HD21 LEU A 116 23.974 21.437 2.921 1.00 0.00 H new ATOM 0 HD22 LEU A 116 23.570 23.080 3.472 1.00 0.00 H new ATOM 0 HD23 LEU A 116 22.427 22.178 2.449 1.00 0.00 H new ATOM 1810 N GLU A 117 25.672 24.056 -1.494 1.00 0.00 N ATOM 1811 CA GLU A 117 26.951 24.178 -2.163 1.00 0.00 C ATOM 1812 C GLU A 117 26.783 23.706 -3.620 1.00 0.00 C ATOM 1813 O GLU A 117 26.935 22.532 -3.943 1.00 0.00 O ATOM 1814 CB GLU A 117 28.062 23.388 -1.413 1.00 0.00 C ATOM 1815 CG GLU A 117 29.444 23.403 -2.105 1.00 0.00 C ATOM 1816 CD GLU A 117 29.936 24.817 -2.485 1.00 0.00 C ATOM 1817 OE1 GLU A 117 30.592 25.471 -1.651 1.00 0.00 O ATOM 1818 OE2 GLU A 117 29.658 25.271 -3.622 1.00 0.00 O ATOM 0 H GLU A 117 25.337 23.094 -1.440 1.00 0.00 H new ATOM 0 HA GLU A 117 27.273 25.219 -2.161 1.00 0.00 H new ATOM 0 HB2 GLU A 117 28.169 23.801 -0.410 1.00 0.00 H new ATOM 0 HB3 GLU A 117 27.739 22.353 -1.299 1.00 0.00 H new ATOM 0 HG2 GLU A 117 30.176 22.939 -1.444 1.00 0.00 H new ATOM 0 HG3 GLU A 117 29.396 22.791 -3.006 1.00 0.00 H new ATOM 1825 N ARG A 118 26.356 24.640 -4.458 1.00 0.00 N ATOM 1826 CA ARG A 118 26.414 24.517 -5.934 1.00 0.00 C ATOM 1827 C ARG A 118 26.991 25.839 -6.495 1.00 0.00 C ATOM 1828 O ARG A 118 26.933 26.107 -7.700 1.00 0.00 O ATOM 1829 CB ARG A 118 24.982 24.197 -6.499 1.00 0.00 C ATOM 1830 CG ARG A 118 24.917 23.134 -7.633 1.00 0.00 C ATOM 1831 CD ARG A 118 25.508 23.601 -8.979 1.00 0.00 C ATOM 1832 NE ARG A 118 24.787 24.773 -9.523 1.00 0.00 N ATOM 1833 CZ ARG A 118 23.822 24.739 -10.463 1.00 0.00 C ATOM 1834 NH1 ARG A 118 23.392 23.584 -10.961 1.00 0.00 N ATOM 1835 NH2 ARG A 118 23.274 25.870 -10.880 1.00 0.00 N ATOM 0 H ARG A 118 25.952 25.522 -4.142 1.00 0.00 H new ATOM 0 HA ARG A 118 27.061 23.695 -6.241 1.00 0.00 H new ATOM 0 HB2 ARG A 118 24.355 23.858 -5.674 1.00 0.00 H new ATOM 0 HB3 ARG A 118 24.545 25.123 -6.871 1.00 0.00 H new ATOM 0 HG2 ARG A 118 25.449 22.240 -7.307 1.00 0.00 H new ATOM 0 HG3 ARG A 118 23.877 22.848 -7.787 1.00 0.00 H new ATOM 0 HD2 ARG A 118 26.560 23.852 -8.845 1.00 0.00 H new ATOM 0 HD3 ARG A 118 25.464 22.783 -9.698 1.00 0.00 H new ATOM 0 HE ARG A 118 25.043 25.689 -9.153 1.00 0.00 H new ATOM 0 HH11 ARG A 118 23.793 22.706 -10.632 1.00 0.00 H new ATOM 0 HH12 ARG A 118 22.661 23.576 -11.672 1.00 0.00 H new ATOM 0 HH21 ARG A 118 23.583 26.760 -10.490 1.00 0.00 H new ATOM 0 HH22 ARG A 118 22.543 25.851 -11.591 1.00 0.00 H new ATOM 1849 N ILE A 119 27.588 26.645 -5.592 1.00 0.00 N ATOM 1850 CA ILE A 119 27.992 28.024 -5.883 1.00 0.00 C ATOM 1851 C ILE A 119 29.519 28.105 -5.992 1.00 0.00 C ATOM 1852 O ILE A 119 30.044 28.395 -7.069 1.00 0.00 O ATOM 1853 CB ILE A 119 27.461 29.017 -4.778 1.00 0.00 C ATOM 1854 CG1 ILE A 119 25.919 28.833 -4.542 1.00 0.00 C ATOM 1855 CG2 ILE A 119 27.797 30.485 -5.136 1.00 0.00 C ATOM 1856 CD1 ILE A 119 25.036 29.071 -5.763 1.00 0.00 C ATOM 0 H ILE A 119 27.801 26.350 -4.639 1.00 0.00 H new ATOM 0 HA ILE A 119 27.551 28.321 -6.834 1.00 0.00 H new ATOM 0 HB ILE A 119 27.972 28.776 -3.846 1.00 0.00 H new ATOM 0 HG12 ILE A 119 25.743 27.820 -4.179 1.00 0.00 H new ATOM 0 HG13 ILE A 119 25.606 29.514 -3.750 1.00 0.00 H new ATOM 0 HG21 ILE A 119 27.418 31.146 -4.356 1.00 0.00 H new ATOM 0 HG22 ILE A 119 28.878 30.601 -5.217 1.00 0.00 H new ATOM 0 HG23 ILE A 119 27.332 30.743 -6.087 1.00 0.00 H new ATOM 0 HD11 ILE A 119 23.991 28.918 -5.492 1.00 0.00 H new ATOM 0 HD12 ILE A 119 25.173 30.093 -6.118 1.00 0.00 H new ATOM 0 HD13 ILE A 119 25.312 28.373 -6.553 1.00 0.00 H new ATOM 1868 N ILE A 120 30.223 27.816 -4.878 1.00 0.00 N ATOM 1869 CA ILE A 120 31.695 27.881 -4.809 1.00 0.00 C ATOM 1870 C ILE A 120 32.280 26.513 -5.237 1.00 0.00 C ATOM 1871 O ILE A 120 32.751 25.712 -4.413 1.00 0.00 O ATOM 1872 CB ILE A 120 32.192 28.302 -3.369 1.00 0.00 C ATOM 1873 CG1 ILE A 120 31.476 29.618 -2.909 1.00 0.00 C ATOM 1874 CG2 ILE A 120 33.736 28.467 -3.331 1.00 0.00 C ATOM 1875 CD1 ILE A 120 31.852 30.107 -1.517 1.00 0.00 C ATOM 0 H ILE A 120 29.786 27.531 -4.002 1.00 0.00 H new ATOM 0 HA ILE A 120 32.051 28.651 -5.494 1.00 0.00 H new ATOM 0 HB ILE A 120 31.931 27.505 -2.673 1.00 0.00 H new ATOM 0 HG12 ILE A 120 31.702 30.406 -3.627 1.00 0.00 H new ATOM 0 HG13 ILE A 120 30.398 29.457 -2.942 1.00 0.00 H new ATOM 0 HG21 ILE A 120 34.046 28.757 -2.327 1.00 0.00 H new ATOM 0 HG22 ILE A 120 34.210 27.522 -3.599 1.00 0.00 H new ATOM 0 HG23 ILE A 120 34.037 29.238 -4.041 1.00 0.00 H new ATOM 0 HD11 ILE A 120 31.304 31.022 -1.292 1.00 0.00 H new ATOM 0 HD12 ILE A 120 31.599 29.343 -0.782 1.00 0.00 H new ATOM 0 HD13 ILE A 120 32.923 30.307 -1.478 1.00 0.00 H new ATOM 1887 N ARG A 121 32.163 26.227 -6.542 1.00 0.00 N ATOM 1888 CA ARG A 121 32.645 24.977 -7.144 1.00 0.00 C ATOM 1889 C ARG A 121 33.899 25.266 -7.978 1.00 0.00 C ATOM 1890 O ARG A 121 33.819 25.512 -9.188 1.00 0.00 O ATOM 1891 CB ARG A 121 31.515 24.315 -7.991 1.00 0.00 C ATOM 1892 CG ARG A 121 30.314 23.791 -7.162 1.00 0.00 C ATOM 1893 CD ARG A 121 30.742 22.728 -6.131 1.00 0.00 C ATOM 1894 NE ARG A 121 29.591 22.075 -5.466 1.00 0.00 N ATOM 1895 CZ ARG A 121 29.438 20.744 -5.321 1.00 0.00 C ATOM 1896 NH1 ARG A 121 30.318 19.900 -5.855 1.00 0.00 N ATOM 1897 NH2 ARG A 121 28.406 20.266 -4.649 1.00 0.00 N ATOM 0 H ARG A 121 31.729 26.861 -7.213 1.00 0.00 H new ATOM 0 HA ARG A 121 32.916 24.267 -6.363 1.00 0.00 H new ATOM 0 HB2 ARG A 121 31.150 25.041 -8.717 1.00 0.00 H new ATOM 0 HB3 ARG A 121 31.940 23.485 -8.556 1.00 0.00 H new ATOM 0 HG2 ARG A 121 29.838 24.625 -6.646 1.00 0.00 H new ATOM 0 HG3 ARG A 121 29.569 23.365 -7.834 1.00 0.00 H new ATOM 0 HD2 ARG A 121 31.346 21.969 -6.628 1.00 0.00 H new ATOM 0 HD3 ARG A 121 31.374 23.195 -5.376 1.00 0.00 H new ATOM 0 HE ARG A 121 28.859 22.678 -5.090 1.00 0.00 H new ATOM 0 HH11 ARG A 121 31.116 20.259 -6.379 1.00 0.00 H new ATOM 0 HH12 ARG A 121 30.194 18.894 -5.740 1.00 0.00 H new ATOM 0 HH21 ARG A 121 27.724 20.905 -4.239 1.00 0.00 H new ATOM 0 HH22 ARG A 121 28.291 19.258 -4.540 1.00 0.00 H new