USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 610 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 35 CYS SG : rot -146:sc= 0.846 USER MOD Set 1.2: A 71 THR OG1 : rot 136:sc= 1.43 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.0486 X(o=-0.049,f=-0.049) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.0695 K(o=-0.069,f=-1.4) USER MOD Single : A 17 LYS NZ :NH3+ 177:sc= -0.0136 (180deg=-0.0307) USER MOD Single : A 18 ASN : amide:sc= 0.445 X(o=0.44,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0.596 X(o=0.6,f=0.44) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -88:sc= 0.294 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -117:sc= -3.37! (180deg=-4.56!) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.0548 K(o=-0.055,f=-2.8!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.696 USER MOD Single : A 58 GLN : amide:sc= -0.889 K(o=-0.89,f=-0.39) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0.0401 USER MOD Single : A 80 MET CE :methyl -174:sc= -4! (180deg=-4.06!) USER MOD Single : A 81 MET CE :methyl -111:sc= -0.128 (180deg=-1.65) USER MOD Single : A 84 CYS SG : rot 89:sc= 0.369 USER MOD ----------------------------------------------------------------- ATOM 46 N ILE A 4 8.405 -2.410 -17.909 1.00 0.00 N ATOM 47 CA ILE A 4 7.729 -3.542 -17.261 1.00 0.00 C ATOM 48 C ILE A 4 6.240 -3.240 -17.067 1.00 0.00 C ATOM 49 O ILE A 4 5.413 -4.151 -17.024 1.00 0.00 O ATOM 50 CB ILE A 4 8.368 -3.897 -15.901 1.00 0.00 C ATOM 51 CG1 ILE A 4 7.940 -2.889 -14.813 1.00 0.00 C ATOM 52 CG2 ILE A 4 9.897 -3.920 -16.028 1.00 0.00 C ATOM 53 CD1 ILE A 4 8.686 -1.558 -14.972 1.00 0.00 C ATOM 0 HA ILE A 4 7.843 -4.402 -17.921 1.00 0.00 H new ATOM 0 HB ILE A 4 8.020 -4.887 -15.606 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.865 -2.717 -14.874 1.00 0.00 H new ATOM 0 HG13 ILE A 4 8.140 -3.307 -13.826 1.00 0.00 H new ATOM 0 HG21 ILE A 4 10.338 -4.171 -15.064 1.00 0.00 H new ATOM 0 HG22 ILE A 4 10.190 -4.666 -16.767 1.00 0.00 H new ATOM 0 HG23 ILE A 4 10.251 -2.939 -16.344 1.00 0.00 H new ATOM 0 HD11 ILE A 4 8.366 -0.866 -14.193 1.00 0.00 H new ATOM 0 HD12 ILE A 4 9.759 -1.730 -14.886 1.00 0.00 H new ATOM 0 HD13 ILE A 4 8.464 -1.131 -15.950 1.00 0.00 H new ATOM 65 N TYR A 5 5.907 -1.948 -16.961 1.00 0.00 N ATOM 66 CA TYR A 5 4.514 -1.533 -16.782 1.00 0.00 C ATOM 67 C TYR A 5 3.716 -1.798 -18.058 1.00 0.00 C ATOM 68 O TYR A 5 2.528 -2.120 -18.008 1.00 0.00 O ATOM 69 CB TYR A 5 4.429 -0.037 -16.449 1.00 0.00 C ATOM 70 CG TYR A 5 5.427 0.311 -15.365 1.00 0.00 C ATOM 71 CD1 TYR A 5 5.484 -0.452 -14.191 1.00 0.00 C ATOM 72 CD2 TYR A 5 6.293 1.397 -15.534 1.00 0.00 C ATOM 73 CE1 TYR A 5 6.406 -0.130 -13.191 1.00 0.00 C ATOM 74 CE2 TYR A 5 7.214 1.718 -14.533 1.00 0.00 C ATOM 75 CZ TYR A 5 7.272 0.956 -13.361 1.00 0.00 C ATOM 76 OH TYR A 5 8.180 1.276 -12.373 1.00 0.00 O ATOM 0 H TYR A 5 6.577 -1.180 -16.996 1.00 0.00 H new ATOM 0 HA TYR A 5 4.097 -2.110 -15.957 1.00 0.00 H new ATOM 0 HB2 TYR A 5 4.629 0.555 -17.342 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.421 0.214 -16.120 1.00 0.00 H new ATOM 0 HD1 TYR A 5 4.815 -1.289 -14.059 1.00 0.00 H new ATOM 0 HD2 TYR A 5 6.250 1.987 -16.438 1.00 0.00 H new ATOM 0 HE1 TYR A 5 6.450 -0.719 -12.287 1.00 0.00 H new ATOM 0 HE2 TYR A 5 7.882 2.556 -14.664 1.00 0.00 H new ATOM 0 HH TYR A 5 8.705 2.055 -12.651 1.00 0.00 H new ATOM 86 N LYS A 6 4.394 -1.668 -19.202 1.00 0.00 N ATOM 87 CA LYS A 6 3.756 -1.903 -20.503 1.00 0.00 C ATOM 88 C LYS A 6 3.647 -3.400 -20.771 1.00 0.00 C ATOM 89 O LYS A 6 2.643 -3.879 -21.299 1.00 0.00 O ATOM 90 CB LYS A 6 4.563 -1.251 -21.639 1.00 0.00 C ATOM 91 CG LYS A 6 5.009 0.162 -21.238 1.00 0.00 C ATOM 92 CD LYS A 6 3.837 0.921 -20.609 1.00 0.00 C ATOM 93 CE LYS A 6 4.342 2.227 -19.990 1.00 0.00 C ATOM 94 NZ LYS A 6 3.207 3.181 -19.838 1.00 0.00 N ATOM 0 H LYS A 6 5.378 -1.403 -19.255 1.00 0.00 H new ATOM 0 HA LYS A 6 2.762 -1.457 -20.472 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.435 -1.862 -21.871 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.957 -1.205 -22.544 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.837 0.104 -20.532 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.374 0.700 -22.113 1.00 0.00 H new ATOM 0 HD2 LYS A 6 3.081 1.134 -21.365 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.360 0.306 -19.846 1.00 0.00 H new ATOM 0 HE2 LYS A 6 4.796 2.029 -19.019 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.116 2.665 -20.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.552 4.067 -19.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.793 3.379 -20.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.483 2.763 -19.219 1.00 0.00 H new ATOM 108 N ALA A 7 4.692 -4.132 -20.387 1.00 0.00 N ATOM 109 CA ALA A 7 4.713 -5.583 -20.573 1.00 0.00 C ATOM 110 C ALA A 7 3.732 -6.266 -19.612 1.00 0.00 C ATOM 111 O ALA A 7 3.178 -7.322 -19.924 1.00 0.00 O ATOM 112 CB ALA A 7 6.118 -6.138 -20.326 1.00 0.00 C ATOM 0 H ALA A 7 5.529 -3.748 -19.949 1.00 0.00 H new ATOM 0 HA ALA A 7 4.416 -5.790 -21.601 1.00 0.00 H new ATOM 0 HB1 ALA A 7 6.113 -7.219 -20.469 1.00 0.00 H new ATOM 0 HB2 ALA A 7 6.818 -5.682 -21.027 1.00 0.00 H new ATOM 0 HB3 ALA A 7 6.426 -5.909 -19.306 1.00 0.00 H new ATOM 118 N ALA A 8 3.522 -5.649 -18.443 1.00 0.00 N ATOM 119 CA ALA A 8 2.607 -6.203 -17.445 1.00 0.00 C ATOM 120 C ALA A 8 1.157 -5.830 -17.762 1.00 0.00 C ATOM 121 O ALA A 8 0.246 -6.627 -17.533 1.00 0.00 O ATOM 122 CB ALA A 8 2.956 -5.686 -16.050 1.00 0.00 C ATOM 0 H ALA A 8 3.970 -4.774 -18.169 1.00 0.00 H new ATOM 0 HA ALA A 8 2.713 -7.288 -17.472 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.264 -6.109 -15.322 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.975 -5.981 -15.797 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.878 -4.599 -16.035 1.00 0.00 H new ATOM 128 N VAL A 9 0.951 -4.615 -18.294 1.00 0.00 N ATOM 129 CA VAL A 9 -0.403 -4.160 -18.640 1.00 0.00 C ATOM 130 C VAL A 9 -1.060 -5.121 -19.641 1.00 0.00 C ATOM 131 O VAL A 9 -2.285 -5.256 -19.672 1.00 0.00 O ATOM 132 CB VAL A 9 -0.372 -2.731 -19.216 1.00 0.00 C ATOM 133 CG1 VAL A 9 -0.071 -2.753 -20.720 1.00 0.00 C ATOM 134 CG2 VAL A 9 -1.729 -2.060 -18.985 1.00 0.00 C ATOM 0 H VAL A 9 1.691 -3.941 -18.491 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.997 -4.150 -17.726 1.00 0.00 H new ATOM 0 HB VAL A 9 0.416 -2.172 -18.710 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.055 -1.733 -21.103 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.899 -3.220 -20.890 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.843 -3.322 -21.237 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.709 -1.049 -19.392 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.509 -2.636 -19.483 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.936 -2.017 -17.916 1.00 0.00 H new ATOM 144 N GLU A 10 -0.230 -5.798 -20.447 1.00 0.00 N ATOM 145 CA GLU A 10 -0.735 -6.758 -21.430 1.00 0.00 C ATOM 146 C GLU A 10 -1.329 -7.985 -20.729 1.00 0.00 C ATOM 147 O GLU A 10 -2.238 -8.629 -21.254 1.00 0.00 O ATOM 148 CB GLU A 10 0.391 -7.218 -22.364 1.00 0.00 C ATOM 149 CG GLU A 10 0.843 -6.048 -23.246 1.00 0.00 C ATOM 150 CD GLU A 10 -0.128 -5.876 -24.411 1.00 0.00 C ATOM 151 OE1 GLU A 10 0.058 -6.545 -25.416 1.00 0.00 O ATOM 152 OE2 GLU A 10 -1.042 -5.078 -24.283 1.00 0.00 O ATOM 0 H GLU A 10 0.785 -5.698 -20.436 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.510 -6.260 -22.012 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.232 -7.591 -21.779 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.045 -8.043 -22.987 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.886 -5.132 -22.657 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.849 -6.232 -23.623 1.00 0.00 H new ATOM 159 N GLN A 11 -0.808 -8.296 -19.531 1.00 0.00 N ATOM 160 CA GLN A 11 -1.299 -9.443 -18.763 1.00 0.00 C ATOM 161 C GLN A 11 -2.597 -9.082 -18.046 1.00 0.00 C ATOM 162 O GLN A 11 -3.576 -9.831 -18.089 1.00 0.00 O ATOM 163 CB GLN A 11 -0.266 -9.888 -17.718 1.00 0.00 C ATOM 164 CG GLN A 11 1.061 -10.236 -18.404 1.00 0.00 C ATOM 165 CD GLN A 11 0.920 -11.552 -19.164 1.00 0.00 C ATOM 166 OE1 GLN A 11 0.793 -12.617 -18.558 1.00 0.00 O ATOM 167 NE2 GLN A 11 0.936 -11.544 -20.469 1.00 0.00 N ATOM 0 H GLN A 11 -0.056 -7.774 -19.081 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.475 -10.259 -19.464 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.110 -9.093 -16.988 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.640 -10.754 -17.171 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.347 -9.438 -19.090 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.855 -10.318 -17.661 1.00 0.00 H new ATOM 0 HE21 GLN A 11 1.041 -10.663 -20.972 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.843 -12.419 -20.986 1.00 0.00 H new ATOM 176 N LEU A 12 -2.590 -7.922 -17.390 1.00 0.00 N ATOM 177 CA LEU A 12 -3.765 -7.444 -16.662 1.00 0.00 C ATOM 178 C LEU A 12 -4.768 -6.804 -17.627 1.00 0.00 C ATOM 179 O LEU A 12 -4.529 -6.731 -18.835 1.00 0.00 O ATOM 180 CB LEU A 12 -3.351 -6.415 -15.608 1.00 0.00 C ATOM 181 CG LEU A 12 -2.278 -6.887 -14.618 1.00 0.00 C ATOM 182 CD1 LEU A 12 -1.010 -6.044 -14.790 1.00 0.00 C ATOM 183 CD2 LEU A 12 -2.801 -6.735 -13.187 1.00 0.00 C ATOM 0 H LEU A 12 -1.785 -7.297 -17.348 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.234 -8.297 -16.172 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.985 -5.524 -16.118 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.236 -6.119 -15.045 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.045 -7.934 -14.812 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.250 -6.382 -14.085 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.636 -6.154 -15.808 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.241 -4.996 -14.599 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.039 -7.070 -12.484 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.037 -5.688 -12.995 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.700 -7.338 -13.062 1.00 0.00 H new ATOM 195 N THR A 13 -5.896 -6.345 -17.080 1.00 0.00 N ATOM 196 CA THR A 13 -6.938 -5.713 -17.896 1.00 0.00 C ATOM 197 C THR A 13 -7.263 -4.314 -17.378 1.00 0.00 C ATOM 198 O THR A 13 -6.816 -3.912 -16.301 1.00 0.00 O ATOM 199 CB THR A 13 -8.227 -6.550 -17.881 1.00 0.00 C ATOM 200 OG1 THR A 13 -8.291 -7.323 -16.688 1.00 0.00 O ATOM 201 CG2 THR A 13 -8.252 -7.477 -19.095 1.00 0.00 C ATOM 0 H THR A 13 -6.111 -6.398 -16.084 1.00 0.00 H new ATOM 0 HA THR A 13 -6.554 -5.646 -18.914 1.00 0.00 H new ATOM 0 HB THR A 13 -9.086 -5.881 -17.919 1.00 0.00 H new ATOM 0 HG1 THR A 13 -9.116 -7.852 -16.685 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.167 -8.069 -19.082 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.218 -6.882 -20.008 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.389 -8.142 -19.063 1.00 0.00 H new ATOM 209 N ASP A 14 -8.067 -3.583 -18.158 1.00 0.00 N ATOM 210 CA ASP A 14 -8.481 -2.232 -17.776 1.00 0.00 C ATOM 211 C ASP A 14 -9.271 -2.273 -16.466 1.00 0.00 C ATOM 212 O ASP A 14 -9.223 -1.333 -15.673 1.00 0.00 O ATOM 213 CB ASP A 14 -9.358 -1.608 -18.864 1.00 0.00 C ATOM 214 CG ASP A 14 -8.493 -1.221 -20.060 1.00 0.00 C ATOM 215 OD1 ASP A 14 -7.929 -0.139 -20.033 1.00 0.00 O ATOM 216 OD2 ASP A 14 -8.406 -2.011 -20.985 1.00 0.00 O ATOM 0 H ASP A 14 -8.441 -3.903 -19.051 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.583 -1.628 -17.647 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.129 -2.314 -19.173 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -9.870 -0.729 -18.473 1.00 0.00 H new ATOM 221 N GLU A 15 -9.992 -3.383 -16.254 1.00 0.00 N ATOM 222 CA GLU A 15 -10.792 -3.560 -15.038 1.00 0.00 C ATOM 223 C GLU A 15 -9.927 -3.398 -13.784 1.00 0.00 C ATOM 224 O GLU A 15 -10.365 -2.812 -12.794 1.00 0.00 O ATOM 225 CB GLU A 15 -11.438 -4.949 -15.022 1.00 0.00 C ATOM 226 CG GLU A 15 -12.689 -4.944 -15.907 1.00 0.00 C ATOM 227 CD GLU A 15 -13.855 -4.319 -15.146 1.00 0.00 C ATOM 228 OE1 GLU A 15 -14.520 -5.042 -14.420 1.00 0.00 O ATOM 229 OE2 GLU A 15 -14.069 -3.127 -15.302 1.00 0.00 O ATOM 0 H GLU A 15 -10.037 -4.166 -16.906 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.567 -2.794 -15.038 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.729 -5.695 -15.381 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.703 -5.226 -14.002 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -12.497 -4.383 -16.822 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -12.940 -5.962 -16.204 1.00 0.00 H new ATOM 236 N GLN A 16 -8.690 -3.910 -13.841 1.00 0.00 N ATOM 237 CA GLN A 16 -7.770 -3.798 -12.703 1.00 0.00 C ATOM 238 C GLN A 16 -7.507 -2.327 -12.381 1.00 0.00 C ATOM 239 O GLN A 16 -7.553 -1.919 -11.220 1.00 0.00 O ATOM 240 CB GLN A 16 -6.438 -4.497 -13.007 1.00 0.00 C ATOM 241 CG GLN A 16 -6.508 -5.955 -12.543 1.00 0.00 C ATOM 242 CD GLN A 16 -6.042 -6.061 -11.091 1.00 0.00 C ATOM 243 OE1 GLN A 16 -6.411 -5.239 -10.249 1.00 0.00 O ATOM 244 NE2 GLN A 16 -5.248 -7.037 -10.742 1.00 0.00 N ATOM 0 H GLN A 16 -8.308 -4.399 -14.651 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.235 -4.283 -11.844 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.228 -4.454 -14.076 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.621 -3.982 -12.501 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.529 -6.326 -12.635 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -5.883 -6.579 -13.181 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.941 -7.718 -11.437 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.934 -7.118 -9.775 1.00 0.00 H new ATOM 253 N LYS A 17 -7.256 -1.534 -13.429 1.00 0.00 N ATOM 254 CA LYS A 17 -7.015 -0.100 -13.256 1.00 0.00 C ATOM 255 C LYS A 17 -8.293 0.593 -12.776 1.00 0.00 C ATOM 256 O LYS A 17 -8.240 1.544 -11.994 1.00 0.00 O ATOM 257 CB LYS A 17 -6.562 0.538 -14.573 1.00 0.00 C ATOM 258 CG LYS A 17 -5.041 0.400 -14.714 1.00 0.00 C ATOM 259 CD LYS A 17 -4.716 -0.592 -15.837 1.00 0.00 C ATOM 260 CE LYS A 17 -4.330 0.172 -17.108 1.00 0.00 C ATOM 261 NZ LYS A 17 -5.559 0.685 -17.783 1.00 0.00 N ATOM 0 H LYS A 17 -7.215 -1.858 -14.395 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.228 0.023 -12.513 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.061 0.055 -15.413 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.846 1.590 -14.596 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.596 1.371 -14.933 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.608 0.056 -13.775 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.899 -1.246 -15.532 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.578 -1.230 -16.032 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.668 1.001 -16.858 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.779 -0.483 -17.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.289 1.245 -18.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.151 -0.116 -18.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.094 1.284 -17.122 1.00 0.00 H new ATOM 275 N ASN A 18 -9.446 0.090 -13.244 1.00 0.00 N ATOM 276 CA ASN A 18 -10.742 0.646 -12.849 1.00 0.00 C ATOM 277 C ASN A 18 -10.946 0.477 -11.343 1.00 0.00 C ATOM 278 O ASN A 18 -11.363 1.408 -10.653 1.00 0.00 O ATOM 279 CB ASN A 18 -11.879 -0.065 -13.594 1.00 0.00 C ATOM 280 CG ASN A 18 -12.255 0.731 -14.840 1.00 0.00 C ATOM 281 OD1 ASN A 18 -13.279 1.414 -14.862 1.00 0.00 O ATOM 282 ND2 ASN A 18 -11.481 0.687 -15.891 1.00 0.00 N ATOM 0 H ASN A 18 -9.504 -0.696 -13.892 1.00 0.00 H new ATOM 0 HA ASN A 18 -10.754 1.706 -13.104 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -11.569 -1.072 -13.874 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -12.746 -0.168 -12.941 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -11.726 1.218 -16.727 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -10.632 0.122 -15.876 1.00 0.00 H new ATOM 289 N GLU A 19 -10.625 -0.723 -10.843 1.00 0.00 N ATOM 290 CA GLU A 19 -10.750 -1.013 -9.412 1.00 0.00 C ATOM 291 C GLU A 19 -9.758 -0.158 -8.630 1.00 0.00 C ATOM 292 O GLU A 19 -10.087 0.398 -7.584 1.00 0.00 O ATOM 293 CB GLU A 19 -10.463 -2.491 -9.123 1.00 0.00 C ATOM 294 CG GLU A 19 -11.433 -3.375 -9.916 1.00 0.00 C ATOM 295 CD GLU A 19 -12.776 -3.441 -9.195 1.00 0.00 C ATOM 296 OE1 GLU A 19 -12.900 -4.245 -8.285 1.00 0.00 O ATOM 297 OE2 GLU A 19 -13.663 -2.688 -9.565 1.00 0.00 O ATOM 0 H GLU A 19 -10.280 -1.502 -11.404 1.00 0.00 H new ATOM 0 HA GLU A 19 -11.771 -0.785 -9.107 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.435 -2.731 -9.394 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.566 -2.689 -8.056 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -11.568 -2.973 -10.920 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.019 -4.377 -10.027 1.00 0.00 H new ATOM 304 N PHE A 20 -8.536 -0.062 -9.165 1.00 0.00 N ATOM 305 CA PHE A 20 -7.478 0.732 -8.535 1.00 0.00 C ATOM 306 C PHE A 20 -7.903 2.195 -8.397 1.00 0.00 C ATOM 307 O PHE A 20 -7.662 2.826 -7.368 1.00 0.00 O ATOM 308 CB PHE A 20 -6.198 0.674 -9.379 1.00 0.00 C ATOM 309 CG PHE A 20 -5.390 -0.563 -9.047 1.00 0.00 C ATOM 310 CD1 PHE A 20 -6.001 -1.688 -8.470 1.00 0.00 C ATOM 311 CD2 PHE A 20 -4.021 -0.581 -9.326 1.00 0.00 C ATOM 312 CE1 PHE A 20 -5.238 -2.822 -8.175 1.00 0.00 C ATOM 313 CE2 PHE A 20 -3.260 -1.714 -9.032 1.00 0.00 C ATOM 314 CZ PHE A 20 -3.867 -2.836 -8.456 1.00 0.00 C ATOM 0 H PHE A 20 -8.257 -0.523 -10.031 1.00 0.00 H new ATOM 0 HA PHE A 20 -7.294 0.313 -7.546 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.455 0.672 -10.438 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.597 1.565 -9.198 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.059 -1.677 -8.254 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.550 0.284 -9.770 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.707 -3.687 -7.730 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.202 -1.725 -9.249 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.278 -3.712 -8.229 1.00 0.00 H new ATOM 324 N LYS A 21 -8.537 2.725 -9.450 1.00 0.00 N ATOM 325 CA LYS A 21 -8.993 4.117 -9.447 1.00 0.00 C ATOM 326 C LYS A 21 -10.052 4.335 -8.367 1.00 0.00 C ATOM 327 O LYS A 21 -9.960 5.276 -7.578 1.00 0.00 O ATOM 328 CB LYS A 21 -9.577 4.500 -10.814 1.00 0.00 C ATOM 329 CG LYS A 21 -9.909 5.998 -10.841 1.00 0.00 C ATOM 330 CD LYS A 21 -8.654 6.815 -10.517 1.00 0.00 C ATOM 331 CE LYS A 21 -8.921 8.298 -10.790 1.00 0.00 C ATOM 332 NZ LYS A 21 -8.081 9.131 -9.883 1.00 0.00 N ATOM 0 H LYS A 21 -8.744 2.214 -10.308 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.130 4.749 -9.237 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.863 4.263 -11.603 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.476 3.916 -11.011 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.292 6.277 -11.823 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.694 6.219 -10.118 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.374 6.672 -9.473 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.816 6.469 -11.122 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.695 8.533 -11.830 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.976 8.523 -10.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.263 10.138 -10.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.317 8.913 -8.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.076 8.924 -10.053 1.00 0.00 H new ATOM 346 N ALA A 22 -11.056 3.454 -8.338 1.00 0.00 N ATOM 347 CA ALA A 22 -12.125 3.558 -7.343 1.00 0.00 C ATOM 348 C ALA A 22 -11.563 3.346 -5.937 1.00 0.00 C ATOM 349 O ALA A 22 -11.869 4.103 -5.017 1.00 0.00 O ATOM 350 CB ALA A 22 -13.215 2.517 -7.608 1.00 0.00 C ATOM 0 H ALA A 22 -11.150 2.670 -8.984 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.557 4.556 -7.418 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.999 2.612 -6.857 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.640 2.679 -8.599 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.783 1.517 -7.557 1.00 0.00 H new ATOM 356 N ALA A 23 -10.725 2.312 -5.792 1.00 0.00 N ATOM 357 CA ALA A 23 -10.102 1.998 -4.502 1.00 0.00 C ATOM 358 C ALA A 23 -9.232 3.162 -4.014 1.00 0.00 C ATOM 359 O ALA A 23 -9.016 3.327 -2.812 1.00 0.00 O ATOM 360 CB ALA A 23 -9.231 0.744 -4.618 1.00 0.00 C ATOM 0 H ALA A 23 -10.464 1.681 -6.550 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.904 1.824 -3.784 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.777 0.526 -3.652 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.847 -0.100 -4.928 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.448 0.912 -5.357 1.00 0.00 H new ATOM 366 N PHE A 24 -8.738 3.968 -4.960 1.00 0.00 N ATOM 367 CA PHE A 24 -7.899 5.115 -4.622 1.00 0.00 C ATOM 368 C PHE A 24 -8.771 6.316 -4.249 1.00 0.00 C ATOM 369 O PHE A 24 -8.621 6.893 -3.176 1.00 0.00 O ATOM 370 CB PHE A 24 -7.007 5.492 -5.816 1.00 0.00 C ATOM 371 CG PHE A 24 -5.772 6.222 -5.337 1.00 0.00 C ATOM 372 CD1 PHE A 24 -4.620 5.500 -5.000 1.00 0.00 C ATOM 373 CD2 PHE A 24 -5.776 7.620 -5.236 1.00 0.00 C ATOM 374 CE1 PHE A 24 -3.475 6.174 -4.561 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.629 8.293 -4.797 1.00 0.00 C ATOM 376 CZ PHE A 24 -3.481 7.570 -4.459 1.00 0.00 C ATOM 0 H PHE A 24 -8.905 3.846 -5.959 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.272 4.843 -3.773 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -6.718 4.593 -6.361 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.564 6.121 -6.510 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.615 4.423 -5.079 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.663 8.178 -5.497 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.587 5.617 -4.301 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.631 9.370 -4.720 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.597 8.089 -4.119 1.00 0.00 H new ATOM 386 N ASP A 25 -9.677 6.686 -5.163 1.00 0.00 N ATOM 387 CA ASP A 25 -10.568 7.835 -4.953 1.00 0.00 C ATOM 388 C ASP A 25 -11.361 7.737 -3.645 1.00 0.00 C ATOM 389 O ASP A 25 -11.546 8.745 -2.960 1.00 0.00 O ATOM 390 CB ASP A 25 -11.554 7.964 -6.119 1.00 0.00 C ATOM 391 CG ASP A 25 -11.919 9.434 -6.323 1.00 0.00 C ATOM 392 OD1 ASP A 25 -12.837 9.893 -5.663 1.00 0.00 O ATOM 393 OD2 ASP A 25 -11.274 10.077 -7.135 1.00 0.00 O ATOM 0 H ASP A 25 -9.813 6.208 -6.054 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.928 8.715 -4.895 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -11.111 7.559 -7.029 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.452 7.381 -5.915 1.00 0.00 H new ATOM 398 N ILE A 26 -11.832 6.531 -3.304 1.00 0.00 N ATOM 399 CA ILE A 26 -12.608 6.348 -2.067 1.00 0.00 C ATOM 400 C ILE A 26 -11.804 6.800 -0.844 1.00 0.00 C ATOM 401 O ILE A 26 -12.365 7.318 0.123 1.00 0.00 O ATOM 402 CB ILE A 26 -13.024 4.881 -1.885 1.00 0.00 C ATOM 403 CG1 ILE A 26 -11.778 3.985 -1.889 1.00 0.00 C ATOM 404 CG2 ILE A 26 -13.967 4.469 -3.023 1.00 0.00 C ATOM 405 CD1 ILE A 26 -12.182 2.526 -1.685 1.00 0.00 C ATOM 0 H ILE A 26 -11.695 5.682 -3.853 1.00 0.00 H new ATOM 0 HA ILE A 26 -13.504 6.963 -2.155 1.00 0.00 H new ATOM 0 HB ILE A 26 -13.541 4.767 -0.932 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.245 4.094 -2.833 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -11.094 4.295 -1.099 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -14.261 3.428 -2.893 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -14.854 5.102 -3.007 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -13.456 4.585 -3.979 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -11.291 1.898 -1.689 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.696 2.421 -0.729 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.848 2.217 -2.491 1.00 0.00 H new ATOM 417 N PHE A 27 -10.482 6.605 -0.902 1.00 0.00 N ATOM 418 CA PHE A 27 -9.603 7.002 0.201 1.00 0.00 C ATOM 419 C PHE A 27 -9.156 8.463 0.052 1.00 0.00 C ATOM 420 O PHE A 27 -8.872 9.133 1.046 1.00 0.00 O ATOM 421 CB PHE A 27 -8.364 6.102 0.250 1.00 0.00 C ATOM 422 CG PHE A 27 -8.660 4.877 1.086 1.00 0.00 C ATOM 423 CD1 PHE A 27 -9.212 3.738 0.488 1.00 0.00 C ATOM 424 CD2 PHE A 27 -8.385 4.881 2.459 1.00 0.00 C ATOM 425 CE1 PHE A 27 -9.491 2.605 1.261 1.00 0.00 C ATOM 426 CE2 PHE A 27 -8.663 3.748 3.233 1.00 0.00 C ATOM 427 CZ PHE A 27 -9.216 2.610 2.634 1.00 0.00 C ATOM 0 H PHE A 27 -10.001 6.178 -1.694 1.00 0.00 H new ATOM 0 HA PHE A 27 -10.169 6.896 1.127 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -8.077 5.806 -0.759 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.521 6.649 0.673 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -9.423 3.733 -0.571 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.958 5.759 2.921 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -9.918 1.727 0.799 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.451 3.752 4.292 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.431 1.736 3.231 1.00 0.00 H new ATOM 437 N ILE A 28 -9.098 8.948 -1.198 1.00 0.00 N ATOM 438 CA ILE A 28 -8.681 10.334 -1.462 1.00 0.00 C ATOM 439 C ILE A 28 -9.898 11.272 -1.530 1.00 0.00 C ATOM 440 O ILE A 28 -9.834 12.346 -2.134 1.00 0.00 O ATOM 441 CB ILE A 28 -7.898 10.422 -2.789 1.00 0.00 C ATOM 442 CG1 ILE A 28 -6.842 9.312 -2.874 1.00 0.00 C ATOM 443 CG2 ILE A 28 -7.185 11.770 -2.899 1.00 0.00 C ATOM 444 CD1 ILE A 28 -6.233 9.035 -1.493 1.00 0.00 C ATOM 0 H ILE A 28 -9.331 8.409 -2.032 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.037 10.646 -0.640 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.616 10.310 -3.601 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.295 8.402 -3.266 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.057 9.603 -3.571 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.637 11.816 -3.840 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -7.920 12.574 -2.867 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.488 11.882 -2.068 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.487 8.245 -1.576 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.761 9.942 -1.115 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.018 8.721 -0.805 1.00 0.00 H new ATOM 456 N GLN A 29 -11.004 10.867 -0.895 1.00 0.00 N ATOM 457 CA GLN A 29 -12.216 11.694 -0.887 1.00 0.00 C ATOM 458 C GLN A 29 -11.963 13.012 -0.143 1.00 0.00 C ATOM 459 O GLN A 29 -12.515 14.053 -0.500 1.00 0.00 O ATOM 460 CB GLN A 29 -13.396 10.953 -0.237 1.00 0.00 C ATOM 461 CG GLN A 29 -12.998 10.404 1.139 1.00 0.00 C ATOM 462 CD GLN A 29 -14.233 9.841 1.839 1.00 0.00 C ATOM 463 OE1 GLN A 29 -14.958 10.572 2.512 1.00 0.00 O ATOM 464 NE2 GLN A 29 -14.519 8.574 1.719 1.00 0.00 N ATOM 0 H GLN A 29 -11.085 9.986 -0.388 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.473 11.909 -1.924 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -14.244 11.630 -0.133 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.718 10.135 -0.881 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -12.243 9.625 1.027 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.553 11.195 1.743 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -13.919 7.966 1.161 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -15.343 8.191 2.183 1.00 0.00 H new ATOM 473 N ASP A 30 -11.106 12.952 0.883 1.00 0.00 N ATOM 474 CA ASP A 30 -10.758 14.142 1.666 1.00 0.00 C ATOM 475 C ASP A 30 -9.339 14.003 2.228 1.00 0.00 C ATOM 476 O ASP A 30 -9.073 14.332 3.387 1.00 0.00 O ATOM 477 CB ASP A 30 -11.750 14.363 2.821 1.00 0.00 C ATOM 478 CG ASP A 30 -12.155 13.028 3.453 1.00 0.00 C ATOM 479 OD1 ASP A 30 -11.275 12.308 3.901 1.00 0.00 O ATOM 480 OD2 ASP A 30 -13.341 12.751 3.486 1.00 0.00 O ATOM 0 H ASP A 30 -10.643 12.096 1.189 1.00 0.00 H new ATOM 0 HA ASP A 30 -10.808 15.005 1.002 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.298 15.006 3.576 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -12.636 14.879 2.452 1.00 0.00 H new ATOM 485 N ALA A 31 -8.427 13.507 1.384 1.00 0.00 N ATOM 486 CA ALA A 31 -7.033 13.317 1.787 1.00 0.00 C ATOM 487 C ALA A 31 -6.341 14.664 1.998 1.00 0.00 C ATOM 488 O ALA A 31 -6.795 15.699 1.505 1.00 0.00 O ATOM 489 CB ALA A 31 -6.270 12.527 0.721 1.00 0.00 C ATOM 0 H ALA A 31 -8.630 13.232 0.423 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.031 12.761 2.724 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.235 12.395 1.037 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.736 11.551 0.588 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.294 13.072 -0.223 1.00 0.00 H new ATOM 495 N GLU A 32 -5.236 14.632 2.743 1.00 0.00 N ATOM 496 CA GLU A 32 -4.472 15.850 3.030 1.00 0.00 C ATOM 497 C GLU A 32 -3.619 16.254 1.828 1.00 0.00 C ATOM 498 O GLU A 32 -3.586 17.424 1.442 1.00 0.00 O ATOM 499 CB GLU A 32 -3.559 15.638 4.244 1.00 0.00 C ATOM 500 CG GLU A 32 -4.405 15.530 5.518 1.00 0.00 C ATOM 501 CD GLU A 32 -4.762 16.927 6.019 1.00 0.00 C ATOM 502 OE1 GLU A 32 -3.947 17.511 6.716 1.00 0.00 O ATOM 503 OE2 GLU A 32 -5.845 17.392 5.700 1.00 0.00 O ATOM 0 H GLU A 32 -4.851 13.783 3.157 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.186 16.645 3.245 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.967 14.732 4.112 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -2.857 16.467 4.332 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.313 14.963 5.316 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.855 14.987 6.287 1.00 0.00 H new ATOM 510 N ASP A 33 -2.925 15.273 1.245 1.00 0.00 N ATOM 511 CA ASP A 33 -2.065 15.532 0.086 1.00 0.00 C ATOM 512 C ASP A 33 -2.617 14.881 -1.195 1.00 0.00 C ATOM 513 O ASP A 33 -1.959 14.900 -2.238 1.00 0.00 O ATOM 514 CB ASP A 33 -0.654 14.995 0.350 1.00 0.00 C ATOM 515 CG ASP A 33 0.087 15.941 1.294 1.00 0.00 C ATOM 516 OD1 ASP A 33 -0.051 15.777 2.496 1.00 0.00 O ATOM 517 OD2 ASP A 33 0.779 16.817 0.800 1.00 0.00 O ATOM 0 H ASP A 33 -2.941 14.301 1.552 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.037 16.612 -0.062 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.709 13.998 0.788 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.108 14.901 -0.589 1.00 0.00 H new ATOM 522 N GLY A 34 -3.828 14.309 -1.115 1.00 0.00 N ATOM 523 CA GLY A 34 -4.444 13.664 -2.279 1.00 0.00 C ATOM 524 C GLY A 34 -3.844 12.279 -2.535 1.00 0.00 C ATOM 525 O GLY A 34 -3.725 11.845 -3.683 1.00 0.00 O ATOM 0 H GLY A 34 -4.393 14.281 -0.266 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.518 13.573 -2.120 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.305 14.291 -3.160 1.00 0.00 H new ATOM 529 N CYS A 35 -3.471 11.589 -1.452 1.00 0.00 N ATOM 530 CA CYS A 35 -2.884 10.249 -1.561 1.00 0.00 C ATOM 531 C CYS A 35 -3.082 9.473 -0.258 1.00 0.00 C ATOM 532 O CYS A 35 -3.577 10.017 0.733 1.00 0.00 O ATOM 533 CB CYS A 35 -1.382 10.330 -1.875 1.00 0.00 C ATOM 534 SG CYS A 35 -0.716 11.930 -1.343 1.00 0.00 S ATOM 0 H CYS A 35 -3.564 11.933 -0.496 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.390 9.731 -2.376 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.853 9.522 -1.370 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -1.219 10.198 -2.945 1.00 0.00 H new ATOM 0 HG CYS A 35 0.223 12.303 -2.161 1.00 0.00 H new ATOM 540 N ILE A 36 -2.679 8.199 -0.262 1.00 0.00 N ATOM 541 CA ILE A 36 -2.811 7.363 0.934 1.00 0.00 C ATOM 542 C ILE A 36 -1.463 7.261 1.653 1.00 0.00 C ATOM 543 O ILE A 36 -0.467 7.830 1.208 1.00 0.00 O ATOM 544 CB ILE A 36 -3.312 5.957 0.567 1.00 0.00 C ATOM 545 CG1 ILE A 36 -2.357 5.303 -0.440 1.00 0.00 C ATOM 546 CG2 ILE A 36 -4.710 6.055 -0.051 1.00 0.00 C ATOM 547 CD1 ILE A 36 -1.666 4.106 0.215 1.00 0.00 C ATOM 0 H ILE A 36 -2.265 7.730 -1.067 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.541 7.828 1.597 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.351 5.349 1.471 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.908 4.980 -1.323 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.614 6.027 -0.775 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.064 5.057 -0.311 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.394 6.507 0.667 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.668 6.670 -0.950 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.988 3.641 -0.500 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.102 4.443 1.085 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.416 3.380 0.528 1.00 0.00 H new ATOM 559 N SER A 37 -1.441 6.532 2.770 1.00 0.00 N ATOM 560 CA SER A 37 -0.208 6.368 3.536 1.00 0.00 C ATOM 561 C SER A 37 0.515 5.097 3.103 1.00 0.00 C ATOM 562 O SER A 37 -0.113 4.074 2.824 1.00 0.00 O ATOM 563 CB SER A 37 -0.508 6.288 5.034 1.00 0.00 C ATOM 564 OG SER A 37 0.556 6.889 5.760 1.00 0.00 O ATOM 0 H SER A 37 -2.252 6.052 3.159 1.00 0.00 H new ATOM 0 HA SER A 37 0.426 7.234 3.345 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.447 6.795 5.256 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.628 5.248 5.337 1.00 0.00 H new ATOM 0 HG SER A 37 0.365 6.841 6.720 1.00 0.00 H new ATOM 570 N THR A 38 1.846 5.178 3.053 1.00 0.00 N ATOM 571 CA THR A 38 2.668 4.030 2.658 1.00 0.00 C ATOM 572 C THR A 38 2.316 2.802 3.500 1.00 0.00 C ATOM 573 O THR A 38 2.015 1.737 2.964 1.00 0.00 O ATOM 574 CB THR A 38 4.161 4.347 2.828 1.00 0.00 C ATOM 575 OG1 THR A 38 4.371 5.034 4.056 1.00 0.00 O ATOM 576 CG2 THR A 38 4.630 5.224 1.666 1.00 0.00 C ATOM 0 H THR A 38 2.376 6.020 3.279 1.00 0.00 H new ATOM 0 HA THR A 38 2.463 3.819 1.608 1.00 0.00 H new ATOM 0 HB THR A 38 4.728 3.416 2.836 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.261 5.997 3.915 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.690 5.450 1.785 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.475 4.695 0.726 1.00 0.00 H new ATOM 0 HG23 THR A 38 4.060 6.153 1.658 1.00 0.00 H new ATOM 584 N LYS A 39 2.350 2.970 4.823 1.00 0.00 N ATOM 585 CA LYS A 39 2.028 1.877 5.744 1.00 0.00 C ATOM 586 C LYS A 39 0.545 1.479 5.659 1.00 0.00 C ATOM 587 O LYS A 39 0.175 0.365 6.036 1.00 0.00 O ATOM 588 CB LYS A 39 2.364 2.284 7.185 1.00 0.00 C ATOM 589 CG LYS A 39 1.511 3.489 7.611 1.00 0.00 C ATOM 590 CD LYS A 39 2.389 4.743 7.678 1.00 0.00 C ATOM 591 CE LYS A 39 1.878 5.669 8.783 1.00 0.00 C ATOM 592 NZ LYS A 39 2.645 6.949 8.755 1.00 0.00 N ATOM 0 H LYS A 39 2.596 3.848 5.280 1.00 0.00 H new ATOM 0 HA LYS A 39 2.629 1.016 5.452 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.184 1.446 7.858 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.422 2.533 7.262 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.697 3.640 6.902 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.056 3.299 8.583 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.424 4.464 7.873 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.374 5.261 6.719 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.815 5.867 8.644 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.988 5.188 9.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.297 7.578 9.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.655 6.752 8.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.518 7.410 7.831 1.00 0.00 H new ATOM 606 N GLU A 40 -0.299 2.397 5.165 1.00 0.00 N ATOM 607 CA GLU A 40 -1.734 2.125 5.044 1.00 0.00 C ATOM 608 C GLU A 40 -2.089 1.530 3.671 1.00 0.00 C ATOM 609 O GLU A 40 -3.270 1.401 3.335 1.00 0.00 O ATOM 610 CB GLU A 40 -2.534 3.416 5.241 1.00 0.00 C ATOM 611 CG GLU A 40 -2.530 3.804 6.723 1.00 0.00 C ATOM 612 CD GLU A 40 -3.620 4.841 6.982 1.00 0.00 C ATOM 613 OE1 GLU A 40 -4.732 4.440 7.284 1.00 0.00 O ATOM 614 OE2 GLU A 40 -3.325 6.021 6.878 1.00 0.00 O ATOM 0 H GLU A 40 -0.015 3.323 4.847 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.990 1.399 5.815 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.101 4.218 4.644 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.558 3.277 4.894 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.698 2.922 7.341 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.556 4.207 7.001 1.00 0.00 H new ATOM 621 N LEU A 41 -1.070 1.160 2.880 1.00 0.00 N ATOM 622 CA LEU A 41 -1.316 0.577 1.558 1.00 0.00 C ATOM 623 C LEU A 41 -1.988 -0.787 1.686 1.00 0.00 C ATOM 624 O LEU A 41 -2.874 -1.132 0.906 1.00 0.00 O ATOM 625 CB LEU A 41 -0.010 0.415 0.777 1.00 0.00 C ATOM 626 CG LEU A 41 0.015 1.129 -0.572 1.00 0.00 C ATOM 627 CD1 LEU A 41 1.320 0.809 -1.306 1.00 0.00 C ATOM 628 CD2 LEU A 41 -1.175 0.662 -1.416 1.00 0.00 C ATOM 0 H LEU A 41 -0.085 1.253 3.129 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.974 1.259 1.019 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.812 0.790 1.387 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.172 -0.647 0.615 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.050 2.205 -0.411 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.332 1.322 -2.268 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.166 1.144 -0.706 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.392 -0.267 -1.467 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.159 1.171 -2.380 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.110 -0.415 -1.573 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.104 0.897 -0.897 1.00 0.00 H new ATOM 640 N GLY A 42 -1.560 -1.554 2.688 1.00 0.00 N ATOM 641 CA GLY A 42 -2.131 -2.881 2.930 1.00 0.00 C ATOM 642 C GLY A 42 -3.635 -2.808 3.234 1.00 0.00 C ATOM 643 O GLY A 42 -4.340 -3.812 3.136 1.00 0.00 O ATOM 0 H GLY A 42 -0.825 -1.283 3.342 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.967 -3.512 2.057 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.614 -3.352 3.766 1.00 0.00 H new ATOM 647 N LYS A 43 -4.117 -1.611 3.600 1.00 0.00 N ATOM 648 CA LYS A 43 -5.532 -1.424 3.916 1.00 0.00 C ATOM 649 C LYS A 43 -6.359 -1.218 2.645 1.00 0.00 C ATOM 650 O LYS A 43 -7.468 -1.746 2.526 1.00 0.00 O ATOM 651 CB LYS A 43 -5.710 -0.208 4.831 1.00 0.00 C ATOM 652 CG LYS A 43 -7.076 -0.270 5.516 1.00 0.00 C ATOM 653 CD LYS A 43 -6.993 -1.164 6.757 1.00 0.00 C ATOM 654 CE LYS A 43 -7.756 -0.511 7.914 1.00 0.00 C ATOM 655 NZ LYS A 43 -6.788 0.089 8.879 1.00 0.00 N ATOM 0 H LYS A 43 -3.550 -0.767 3.683 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.882 -2.324 4.422 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.918 -0.186 5.580 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.625 0.711 4.251 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.397 0.732 5.799 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.823 -0.660 4.824 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.414 -2.146 6.539 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.951 -1.319 7.037 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.427 0.258 7.532 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.375 -1.253 8.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.309 0.531 9.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.165 -0.655 9.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.215 0.809 8.394 1.00 0.00 H new ATOM 669 N VAL A 44 -5.815 -0.447 1.697 1.00 0.00 N ATOM 670 CA VAL A 44 -6.523 -0.181 0.441 1.00 0.00 C ATOM 671 C VAL A 44 -6.510 -1.418 -0.466 1.00 0.00 C ATOM 672 O VAL A 44 -7.487 -1.691 -1.167 1.00 0.00 O ATOM 673 CB VAL A 44 -5.905 1.017 -0.297 1.00 0.00 C ATOM 674 CG1 VAL A 44 -6.088 2.285 0.542 1.00 0.00 C ATOM 675 CG2 VAL A 44 -4.410 0.784 -0.527 1.00 0.00 C ATOM 0 H VAL A 44 -4.900 -0.002 1.773 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.557 0.060 0.690 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.404 1.131 -1.259 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.649 3.134 0.018 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.151 2.466 0.701 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.594 2.158 1.505 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.985 1.640 -1.051 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.909 0.660 0.433 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.270 -0.115 -1.128 1.00 0.00 H new ATOM 685 N MET A 45 -5.402 -2.171 -0.434 1.00 0.00 N ATOM 686 CA MET A 45 -5.285 -3.388 -1.247 1.00 0.00 C ATOM 687 C MET A 45 -6.145 -4.514 -0.666 1.00 0.00 C ATOM 688 O MET A 45 -6.579 -5.413 -1.387 1.00 0.00 O ATOM 689 CB MET A 45 -3.830 -3.863 -1.307 1.00 0.00 C ATOM 690 CG MET A 45 -2.955 -2.756 -1.898 1.00 0.00 C ATOM 691 SD MET A 45 -1.257 -3.359 -2.077 1.00 0.00 S ATOM 692 CE MET A 45 -0.799 -3.261 -0.330 1.00 0.00 C ATOM 0 H MET A 45 -4.584 -1.962 0.138 1.00 0.00 H new ATOM 0 HA MET A 45 -5.632 -3.145 -2.251 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.480 -4.123 -0.308 1.00 0.00 H new ATOM 0 HB3 MET A 45 -3.755 -4.764 -1.916 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.346 -2.447 -2.867 1.00 0.00 H new ATOM 0 HG3 MET A 45 -2.974 -1.878 -1.252 1.00 0.00 H new ATOM 0 HE1 MET A 45 0.011 -2.542 -0.206 1.00 0.00 H new ATOM 0 HE2 MET A 45 -1.661 -2.941 0.255 1.00 0.00 H new ATOM 0 HE3 MET A 45 -0.470 -4.241 0.015 1.00 0.00 H new ATOM 702 N ARG A 46 -6.389 -4.449 0.648 1.00 0.00 N ATOM 703 CA ARG A 46 -7.204 -5.461 1.326 1.00 0.00 C ATOM 704 C ARG A 46 -8.620 -5.483 0.748 1.00 0.00 C ATOM 705 O ARG A 46 -9.204 -6.550 0.548 1.00 0.00 O ATOM 706 CB ARG A 46 -7.283 -5.176 2.831 1.00 0.00 C ATOM 707 CG ARG A 46 -6.411 -6.178 3.592 1.00 0.00 C ATOM 708 CD ARG A 46 -5.985 -5.576 4.935 1.00 0.00 C ATOM 709 NE ARG A 46 -6.514 -6.362 6.053 1.00 0.00 N ATOM 710 CZ ARG A 46 -6.248 -6.039 7.327 1.00 0.00 C ATOM 711 NH1 ARG A 46 -5.505 -4.996 7.614 1.00 0.00 N ATOM 712 NH2 ARG A 46 -6.738 -6.772 8.294 1.00 0.00 N ATOM 0 H ARG A 46 -6.036 -3.712 1.258 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.731 -6.430 1.168 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.949 -4.159 3.036 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -8.316 -5.247 3.171 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.963 -7.104 3.756 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.531 -6.432 3.001 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.897 -5.540 4.993 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.342 -4.549 5.007 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.099 -7.175 5.857 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.122 -4.420 6.864 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.310 -4.761 8.587 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.318 -7.582 8.076 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.540 -6.533 9.266 1.00 0.00 H new ATOM 726 N MET A 47 -9.159 -4.289 0.474 1.00 0.00 N ATOM 727 CA MET A 47 -10.506 -4.171 -0.092 1.00 0.00 C ATOM 728 C MET A 47 -10.557 -4.757 -1.507 1.00 0.00 C ATOM 729 O MET A 47 -11.578 -5.309 -1.921 1.00 0.00 O ATOM 730 CB MET A 47 -10.943 -2.703 -0.145 1.00 0.00 C ATOM 731 CG MET A 47 -11.268 -2.208 1.267 1.00 0.00 C ATOM 732 SD MET A 47 -12.899 -2.818 1.763 1.00 0.00 S ATOM 733 CE MET A 47 -13.441 -1.337 2.652 1.00 0.00 C ATOM 0 H MET A 47 -8.687 -3.399 0.634 1.00 0.00 H new ATOM 0 HA MET A 47 -11.184 -4.730 0.553 1.00 0.00 H new ATOM 0 HB2 MET A 47 -10.151 -2.094 -0.581 1.00 0.00 H new ATOM 0 HB3 MET A 47 -11.817 -2.597 -0.788 1.00 0.00 H new ATOM 0 HG2 MET A 47 -10.510 -2.555 1.969 1.00 0.00 H new ATOM 0 HG3 MET A 47 -11.252 -1.118 1.294 1.00 0.00 H new ATOM 0 HE1 MET A 47 -14.443 -1.497 3.049 1.00 0.00 H new ATOM 0 HE2 MET A 47 -12.754 -1.134 3.473 1.00 0.00 H new ATOM 0 HE3 MET A 47 -13.453 -0.487 1.970 1.00 0.00 H new ATOM 743 N LEU A 48 -9.444 -4.632 -2.243 1.00 0.00 N ATOM 744 CA LEU A 48 -9.373 -5.155 -3.611 1.00 0.00 C ATOM 745 C LEU A 48 -9.539 -6.677 -3.615 1.00 0.00 C ATOM 746 O LEU A 48 -10.461 -7.209 -4.238 1.00 0.00 O ATOM 747 CB LEU A 48 -8.031 -4.797 -4.261 1.00 0.00 C ATOM 748 CG LEU A 48 -7.988 -3.437 -4.965 1.00 0.00 C ATOM 749 CD1 LEU A 48 -6.537 -2.964 -5.076 1.00 0.00 C ATOM 750 CD2 LEU A 48 -8.591 -3.567 -6.367 1.00 0.00 C ATOM 0 H LEU A 48 -8.590 -4.178 -1.917 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.182 -4.700 -4.182 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.258 -4.815 -3.493 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.779 -5.571 -4.986 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.563 -2.713 -4.388 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.507 -1.996 -5.577 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.108 -2.870 -4.079 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.961 -3.689 -5.652 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.560 -2.599 -6.867 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.017 -4.292 -6.944 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.625 -3.902 -6.289 1.00 0.00 H new ATOM 762 N GLY A 49 -8.638 -7.369 -2.911 1.00 0.00 N ATOM 763 CA GLY A 49 -8.694 -8.831 -2.836 1.00 0.00 C ATOM 764 C GLY A 49 -7.346 -9.415 -2.415 1.00 0.00 C ATOM 765 O GLY A 49 -6.775 -10.256 -3.114 1.00 0.00 O ATOM 0 H GLY A 49 -7.870 -6.946 -2.391 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.462 -9.132 -2.124 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -8.982 -9.237 -3.806 1.00 0.00 H new ATOM 769 N GLN A 50 -6.847 -8.962 -1.261 1.00 0.00 N ATOM 770 CA GLN A 50 -5.563 -9.443 -0.739 1.00 0.00 C ATOM 771 C GLN A 50 -5.529 -9.327 0.785 1.00 0.00 C ATOM 772 O GLN A 50 -6.290 -8.560 1.379 1.00 0.00 O ATOM 773 CB GLN A 50 -4.405 -8.627 -1.327 1.00 0.00 C ATOM 774 CG GLN A 50 -3.842 -9.344 -2.557 1.00 0.00 C ATOM 775 CD GLN A 50 -2.564 -8.646 -3.014 1.00 0.00 C ATOM 776 OE1 GLN A 50 -2.617 -7.666 -3.758 1.00 0.00 O ATOM 777 NE2 GLN A 50 -1.407 -9.096 -2.610 1.00 0.00 N ATOM 0 H GLN A 50 -7.308 -8.268 -0.673 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.454 -10.489 -1.027 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.752 -7.631 -1.602 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.622 -8.497 -0.580 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.634 -10.387 -2.319 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.578 -9.341 -3.361 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -1.362 -9.908 -1.994 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -0.548 -8.636 -2.911 1.00 0.00 H new ATOM 786 N ASN A 51 -4.635 -10.095 1.415 1.00 0.00 N ATOM 787 CA ASN A 51 -4.514 -10.063 2.873 1.00 0.00 C ATOM 788 C ASN A 51 -3.113 -10.501 3.322 1.00 0.00 C ATOM 789 O ASN A 51 -2.946 -11.554 3.945 1.00 0.00 O ATOM 790 CB ASN A 51 -5.574 -10.971 3.514 1.00 0.00 C ATOM 791 CG ASN A 51 -5.987 -10.405 4.872 1.00 0.00 C ATOM 792 OD1 ASN A 51 -6.353 -9.233 4.979 1.00 0.00 O ATOM 793 ND2 ASN A 51 -5.954 -11.175 5.927 1.00 0.00 N ATOM 0 H ASN A 51 -3.995 -10.736 0.946 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.674 -9.036 3.201 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.444 -11.047 2.862 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.178 -11.979 3.635 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -6.231 -10.806 6.837 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -5.651 -12.145 5.841 1.00 0.00 H new ATOM 800 N PRO A 52 -2.091 -9.685 3.021 1.00 0.00 N ATOM 801 CA PRO A 52 -0.697 -9.980 3.410 1.00 0.00 C ATOM 802 C PRO A 52 -0.394 -9.533 4.841 1.00 0.00 C ATOM 803 O PRO A 52 -1.302 -9.192 5.603 1.00 0.00 O ATOM 804 CB PRO A 52 0.096 -9.141 2.413 1.00 0.00 C ATOM 805 CG PRO A 52 -0.816 -8.007 1.961 1.00 0.00 C ATOM 806 CD PRO A 52 -2.259 -8.420 2.275 1.00 0.00 C ATOM 0 HA PRO A 52 -0.466 -11.045 3.391 1.00 0.00 H new ATOM 0 HB2 PRO A 52 1.001 -8.747 2.875 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.409 -9.746 1.562 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.561 -7.082 2.478 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -0.695 -7.820 0.894 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -2.773 -7.666 2.871 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.844 -8.562 1.367 1.00 0.00 H new ATOM 814 N THR A 53 0.893 -9.511 5.188 1.00 0.00 N ATOM 815 CA THR A 53 1.308 -9.074 6.519 1.00 0.00 C ATOM 816 C THR A 53 1.816 -7.637 6.430 1.00 0.00 C ATOM 817 O THR A 53 2.143 -7.161 5.342 1.00 0.00 O ATOM 818 CB THR A 53 2.421 -9.977 7.083 1.00 0.00 C ATOM 819 OG1 THR A 53 3.669 -9.632 6.495 1.00 0.00 O ATOM 820 CG2 THR A 53 2.108 -11.442 6.778 1.00 0.00 C ATOM 0 H THR A 53 1.658 -9.788 4.573 1.00 0.00 H new ATOM 0 HA THR A 53 0.451 -9.136 7.189 1.00 0.00 H new ATOM 0 HB THR A 53 2.476 -9.834 8.162 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.373 -10.209 6.859 1.00 0.00 H new ATOM 0 HG21 THR A 53 2.900 -12.074 7.180 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.158 -11.714 7.237 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.043 -11.583 5.699 1.00 0.00 H new ATOM 828 N PRO A 54 1.905 -6.937 7.561 1.00 0.00 N ATOM 829 CA PRO A 54 2.396 -5.544 7.576 1.00 0.00 C ATOM 830 C PRO A 54 3.882 -5.447 7.235 1.00 0.00 C ATOM 831 O PRO A 54 4.351 -4.422 6.739 1.00 0.00 O ATOM 832 CB PRO A 54 2.115 -5.109 9.008 1.00 0.00 C ATOM 833 CG PRO A 54 2.015 -6.377 9.840 1.00 0.00 C ATOM 834 CD PRO A 54 1.550 -7.481 8.890 1.00 0.00 C ATOM 0 HA PRO A 54 1.914 -4.915 6.828 1.00 0.00 H new ATOM 0 HB2 PRO A 54 2.912 -4.464 9.380 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.189 -4.536 9.064 1.00 0.00 H new ATOM 0 HG2 PRO A 54 2.979 -6.627 10.284 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.309 -6.248 10.661 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.056 -8.426 9.089 1.00 0.00 H new ATOM 0 HD3 PRO A 54 0.480 -7.667 8.979 1.00 0.00 H new ATOM 842 N GLU A 55 4.606 -6.538 7.487 1.00 0.00 N ATOM 843 CA GLU A 55 6.038 -6.593 7.186 1.00 0.00 C ATOM 844 C GLU A 55 6.254 -6.918 5.705 1.00 0.00 C ATOM 845 O GLU A 55 7.194 -6.421 5.084 1.00 0.00 O ATOM 846 CB GLU A 55 6.734 -7.667 8.031 1.00 0.00 C ATOM 847 CG GLU A 55 6.258 -7.578 9.484 1.00 0.00 C ATOM 848 CD GLU A 55 7.224 -8.337 10.390 1.00 0.00 C ATOM 849 OE1 GLU A 55 8.175 -7.728 10.852 1.00 0.00 O ATOM 850 OE2 GLU A 55 6.997 -9.515 10.609 1.00 0.00 O ATOM 0 H GLU A 55 4.227 -7.392 7.897 1.00 0.00 H new ATOM 0 HA GLU A 55 6.465 -5.618 7.421 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.517 -8.656 7.628 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.815 -7.534 7.985 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.198 -6.535 9.794 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.255 -7.996 9.574 1.00 0.00 H new ATOM 857 N GLU A 56 5.372 -7.763 5.154 1.00 0.00 N ATOM 858 CA GLU A 56 5.473 -8.159 3.747 1.00 0.00 C ATOM 859 C GLU A 56 5.080 -7.010 2.821 1.00 0.00 C ATOM 860 O GLU A 56 5.863 -6.605 1.959 1.00 0.00 O ATOM 861 CB GLU A 56 4.575 -9.369 3.457 1.00 0.00 C ATOM 862 CG GLU A 56 5.255 -10.649 3.958 1.00 0.00 C ATOM 863 CD GLU A 56 6.423 -11.009 3.040 1.00 0.00 C ATOM 864 OE1 GLU A 56 6.189 -11.693 2.057 1.00 0.00 O ATOM 865 OE2 GLU A 56 7.534 -10.597 3.334 1.00 0.00 O ATOM 0 H GLU A 56 4.589 -8.181 5.657 1.00 0.00 H new ATOM 0 HA GLU A 56 6.513 -8.426 3.559 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.609 -9.243 3.947 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.382 -9.443 2.387 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.613 -10.506 4.978 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.536 -11.467 3.984 1.00 0.00 H new ATOM 872 N LEU A 57 3.858 -6.489 2.999 1.00 0.00 N ATOM 873 CA LEU A 57 3.375 -5.385 2.161 1.00 0.00 C ATOM 874 C LEU A 57 4.309 -4.171 2.240 1.00 0.00 C ATOM 875 O LEU A 57 4.428 -3.413 1.275 1.00 0.00 O ATOM 876 CB LEU A 57 1.961 -4.960 2.574 1.00 0.00 C ATOM 877 CG LEU A 57 1.796 -4.502 4.031 1.00 0.00 C ATOM 878 CD1 LEU A 57 1.957 -2.981 4.122 1.00 0.00 C ATOM 879 CD2 LEU A 57 0.402 -4.894 4.528 1.00 0.00 C ATOM 0 H LEU A 57 3.195 -6.809 3.705 1.00 0.00 H new ATOM 0 HA LEU A 57 3.357 -5.750 1.134 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.641 -4.149 1.920 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.285 -5.797 2.398 1.00 0.00 H new ATOM 0 HG LEU A 57 2.558 -4.980 4.647 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.839 -2.664 5.158 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.948 -2.698 3.767 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.199 -2.497 3.506 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.280 -4.571 5.562 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.354 -4.414 3.906 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.286 -5.976 4.470 1.00 0.00 H new ATOM 891 N GLN A 58 4.965 -3.994 3.396 1.00 0.00 N ATOM 892 CA GLN A 58 5.883 -2.865 3.590 1.00 0.00 C ATOM 893 C GLN A 58 6.938 -2.809 2.482 1.00 0.00 C ATOM 894 O GLN A 58 7.143 -1.764 1.865 1.00 0.00 O ATOM 895 CB GLN A 58 6.592 -2.967 4.946 1.00 0.00 C ATOM 896 CG GLN A 58 7.161 -1.598 5.337 1.00 0.00 C ATOM 897 CD GLN A 58 6.017 -0.634 5.645 1.00 0.00 C ATOM 898 OE1 GLN A 58 5.535 -0.575 6.776 1.00 0.00 O ATOM 899 NE2 GLN A 58 5.551 0.135 4.696 1.00 0.00 N ATOM 0 H GLN A 58 4.878 -4.612 4.203 1.00 0.00 H new ATOM 0 HA GLN A 58 5.284 -1.955 3.558 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.893 -3.312 5.708 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.394 -3.703 4.893 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.809 -1.698 6.207 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.774 -1.203 4.527 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.950 0.087 3.758 1.00 0.00 H new ATOM 0 HE22 GLN A 58 4.789 0.783 4.893 1.00 0.00 H new ATOM 908 N GLU A 59 7.602 -3.946 2.242 1.00 0.00 N ATOM 909 CA GLU A 59 8.644 -4.027 1.208 1.00 0.00 C ATOM 910 C GLU A 59 8.113 -3.584 -0.159 1.00 0.00 C ATOM 911 O GLU A 59 8.816 -2.910 -0.913 1.00 0.00 O ATOM 912 CB GLU A 59 9.175 -5.460 1.087 1.00 0.00 C ATOM 913 CG GLU A 59 10.021 -5.804 2.318 1.00 0.00 C ATOM 914 CD GLU A 59 9.923 -7.301 2.601 1.00 0.00 C ATOM 915 OE1 GLU A 59 8.906 -7.720 3.129 1.00 0.00 O ATOM 916 OE2 GLU A 59 10.866 -8.007 2.285 1.00 0.00 O ATOM 0 H GLU A 59 7.439 -4.818 2.745 1.00 0.00 H new ATOM 0 HA GLU A 59 9.448 -3.357 1.512 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.344 -6.160 0.998 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.775 -5.561 0.182 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.060 -5.522 2.148 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.674 -5.236 3.181 1.00 0.00 H new ATOM 923 N MET A 60 6.873 -3.972 -0.469 1.00 0.00 N ATOM 924 CA MET A 60 6.264 -3.610 -1.753 1.00 0.00 C ATOM 925 C MET A 60 6.036 -2.100 -1.846 1.00 0.00 C ATOM 926 O MET A 60 6.295 -1.489 -2.883 1.00 0.00 O ATOM 927 CB MET A 60 4.921 -4.326 -1.935 1.00 0.00 C ATOM 928 CG MET A 60 5.159 -5.819 -2.177 1.00 0.00 C ATOM 929 SD MET A 60 5.560 -6.091 -3.921 1.00 0.00 S ATOM 930 CE MET A 60 6.233 -7.761 -3.740 1.00 0.00 C ATOM 0 H MET A 60 6.277 -4.530 0.142 1.00 0.00 H new ATOM 0 HA MET A 60 6.953 -3.918 -2.539 1.00 0.00 H new ATOM 0 HB2 MET A 60 4.301 -4.186 -1.050 1.00 0.00 H new ATOM 0 HB3 MET A 60 4.379 -3.894 -2.776 1.00 0.00 H new ATOM 0 HG2 MET A 60 5.973 -6.175 -1.546 1.00 0.00 H new ATOM 0 HG3 MET A 60 4.271 -6.389 -1.904 1.00 0.00 H new ATOM 0 HE1 MET A 60 6.550 -8.133 -4.714 1.00 0.00 H new ATOM 0 HE2 MET A 60 7.088 -7.737 -3.065 1.00 0.00 H new ATOM 0 HE3 MET A 60 5.467 -8.420 -3.332 1.00 0.00 H new ATOM 940 N ILE A 61 5.539 -1.512 -0.753 1.00 0.00 N ATOM 941 CA ILE A 61 5.261 -0.074 -0.708 1.00 0.00 C ATOM 942 C ILE A 61 6.503 0.744 -1.080 1.00 0.00 C ATOM 943 O ILE A 61 6.543 1.377 -2.135 1.00 0.00 O ATOM 944 CB ILE A 61 4.791 0.317 0.696 1.00 0.00 C ATOM 945 CG1 ILE A 61 3.418 -0.303 0.958 1.00 0.00 C ATOM 946 CG2 ILE A 61 4.699 1.839 0.813 1.00 0.00 C ATOM 947 CD1 ILE A 61 3.322 -0.732 2.421 1.00 0.00 C ATOM 0 H ILE A 61 5.321 -2.009 0.111 1.00 0.00 H new ATOM 0 HA ILE A 61 4.478 0.143 -1.435 1.00 0.00 H new ATOM 0 HB ILE A 61 5.507 -0.051 1.431 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.632 0.416 0.727 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.265 -1.163 0.305 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.364 2.107 1.815 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.679 2.278 0.629 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.988 2.218 0.079 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.343 -1.174 2.607 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.098 -1.466 2.637 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.456 0.137 3.065 1.00 0.00 H new ATOM 959 N ASP A 62 7.504 0.735 -0.195 1.00 0.00 N ATOM 960 CA ASP A 62 8.742 1.492 -0.433 1.00 0.00 C ATOM 961 C ASP A 62 9.357 1.155 -1.799 1.00 0.00 C ATOM 962 O ASP A 62 9.947 2.019 -2.451 1.00 0.00 O ATOM 963 CB ASP A 62 9.771 1.215 0.674 1.00 0.00 C ATOM 964 CG ASP A 62 10.324 -0.207 0.559 1.00 0.00 C ATOM 965 OD1 ASP A 62 11.321 -0.382 -0.125 1.00 0.00 O ATOM 966 OD2 ASP A 62 9.749 -1.093 1.161 1.00 0.00 O ATOM 0 H ASP A 62 7.485 0.219 0.684 1.00 0.00 H new ATOM 0 HA ASP A 62 8.478 2.550 -0.425 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.587 1.934 0.606 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.307 1.351 1.651 1.00 0.00 H new ATOM 971 N GLU A 63 9.217 -0.107 -2.218 1.00 0.00 N ATOM 972 CA GLU A 63 9.769 -0.552 -3.505 1.00 0.00 C ATOM 973 C GLU A 63 9.136 0.200 -4.682 1.00 0.00 C ATOM 974 O GLU A 63 9.823 0.541 -5.648 1.00 0.00 O ATOM 975 CB GLU A 63 9.535 -2.054 -3.703 1.00 0.00 C ATOM 976 CG GLU A 63 10.779 -2.832 -3.260 1.00 0.00 C ATOM 977 CD GLU A 63 11.716 -3.024 -4.452 1.00 0.00 C ATOM 978 OE1 GLU A 63 12.365 -2.062 -4.832 1.00 0.00 O ATOM 979 OE2 GLU A 63 11.773 -4.130 -4.966 1.00 0.00 O ATOM 0 H GLU A 63 8.731 -0.833 -1.692 1.00 0.00 H new ATOM 0 HA GLU A 63 10.838 -0.340 -3.481 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.668 -2.376 -3.126 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.317 -2.263 -4.750 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.293 -2.293 -2.464 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.489 -3.801 -2.853 1.00 0.00 H new ATOM 986 N VAL A 64 7.824 0.444 -4.600 1.00 0.00 N ATOM 987 CA VAL A 64 7.114 1.146 -5.680 1.00 0.00 C ATOM 988 C VAL A 64 7.078 2.664 -5.459 1.00 0.00 C ATOM 989 O VAL A 64 6.723 3.412 -6.372 1.00 0.00 O ATOM 990 CB VAL A 64 5.670 0.639 -5.806 1.00 0.00 C ATOM 991 CG1 VAL A 64 5.669 -0.873 -6.047 1.00 0.00 C ATOM 992 CG2 VAL A 64 4.896 0.956 -4.520 1.00 0.00 C ATOM 0 H VAL A 64 7.238 0.172 -3.811 1.00 0.00 H new ATOM 0 HA VAL A 64 7.667 0.937 -6.596 1.00 0.00 H new ATOM 0 HB VAL A 64 5.190 1.137 -6.648 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.642 -1.227 -6.135 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.210 -1.095 -6.967 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.155 -1.375 -5.210 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.872 0.595 -4.613 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.378 0.465 -3.675 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.887 2.034 -4.357 1.00 0.00 H new ATOM 1002 N ASP A 65 7.435 3.116 -4.247 1.00 0.00 N ATOM 1003 CA ASP A 65 7.423 4.549 -3.943 1.00 0.00 C ATOM 1004 C ASP A 65 8.312 5.303 -4.933 1.00 0.00 C ATOM 1005 O ASP A 65 9.541 5.279 -4.833 1.00 0.00 O ATOM 1006 CB ASP A 65 7.912 4.802 -2.513 1.00 0.00 C ATOM 1007 CG ASP A 65 7.061 5.888 -1.858 1.00 0.00 C ATOM 1008 OD1 ASP A 65 7.041 6.995 -2.370 1.00 0.00 O ATOM 1009 OD2 ASP A 65 6.438 5.595 -0.852 1.00 0.00 O ATOM 0 H ASP A 65 7.731 2.519 -3.475 1.00 0.00 H new ATOM 0 HA ASP A 65 6.398 4.910 -4.031 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.854 3.882 -1.931 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.959 5.106 -2.526 1.00 0.00 H new ATOM 1014 N GLU A 66 7.670 5.955 -5.903 1.00 0.00 N ATOM 1015 CA GLU A 66 8.398 6.702 -6.933 1.00 0.00 C ATOM 1016 C GLU A 66 8.954 8.020 -6.386 1.00 0.00 C ATOM 1017 O GLU A 66 10.062 8.429 -6.737 1.00 0.00 O ATOM 1018 CB GLU A 66 7.482 7.006 -8.126 1.00 0.00 C ATOM 1019 CG GLU A 66 7.297 5.741 -8.971 1.00 0.00 C ATOM 1020 CD GLU A 66 6.080 5.903 -9.880 1.00 0.00 C ATOM 1021 OE1 GLU A 66 6.173 6.652 -10.839 1.00 0.00 O ATOM 1022 OE2 GLU A 66 5.072 5.272 -9.605 1.00 0.00 O ATOM 0 H GLU A 66 6.655 5.982 -5.998 1.00 0.00 H new ATOM 0 HA GLU A 66 9.230 6.076 -7.255 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.515 7.363 -7.772 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.913 7.801 -8.734 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.189 5.559 -9.570 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.166 4.875 -8.323 1.00 0.00 H new ATOM 1029 N ASP A 67 8.172 8.685 -5.530 1.00 0.00 N ATOM 1030 CA ASP A 67 8.600 9.964 -4.954 1.00 0.00 C ATOM 1031 C ASP A 67 9.496 9.753 -3.732 1.00 0.00 C ATOM 1032 O ASP A 67 10.486 10.465 -3.547 1.00 0.00 O ATOM 1033 CB ASP A 67 7.388 10.805 -4.524 1.00 0.00 C ATOM 1034 CG ASP A 67 6.329 10.816 -5.626 1.00 0.00 C ATOM 1035 OD1 ASP A 67 6.579 11.414 -6.660 1.00 0.00 O ATOM 1036 OD2 ASP A 67 5.281 10.230 -5.414 1.00 0.00 O ATOM 0 H ASP A 67 7.253 8.365 -5.224 1.00 0.00 H new ATOM 0 HA ASP A 67 9.160 10.487 -5.729 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.963 10.399 -3.606 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.704 11.825 -4.305 1.00 0.00 H new ATOM 1041 N GLY A 68 9.122 8.792 -2.884 1.00 0.00 N ATOM 1042 CA GLY A 68 9.879 8.520 -1.660 1.00 0.00 C ATOM 1043 C GLY A 68 9.594 9.609 -0.627 1.00 0.00 C ATOM 1044 O GLY A 68 10.477 10.018 0.128 1.00 0.00 O ATOM 0 H GLY A 68 8.307 8.194 -3.020 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.604 7.544 -1.260 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.946 8.485 -1.881 1.00 0.00 H new ATOM 1048 N SER A 69 8.344 10.087 -0.630 1.00 0.00 N ATOM 1049 CA SER A 69 7.918 11.150 0.276 1.00 0.00 C ATOM 1050 C SER A 69 7.333 10.582 1.571 1.00 0.00 C ATOM 1051 O SER A 69 7.750 10.955 2.670 1.00 0.00 O ATOM 1052 CB SER A 69 6.859 12.015 -0.415 1.00 0.00 C ATOM 1053 OG SER A 69 5.927 11.175 -1.095 1.00 0.00 O ATOM 0 H SER A 69 7.611 9.750 -1.254 1.00 0.00 H new ATOM 0 HA SER A 69 8.793 11.749 0.528 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.341 12.630 0.320 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.334 12.695 -1.122 1.00 0.00 H new ATOM 0 HG SER A 69 5.249 11.728 -1.535 1.00 0.00 H new ATOM 1059 N GLY A 70 6.354 9.689 1.426 1.00 0.00 N ATOM 1060 CA GLY A 70 5.694 9.081 2.584 1.00 0.00 C ATOM 1061 C GLY A 70 4.268 8.644 2.234 1.00 0.00 C ATOM 1062 O GLY A 70 3.720 7.732 2.856 1.00 0.00 O ATOM 0 H GLY A 70 6.001 9.371 0.523 1.00 0.00 H new ATOM 0 HA2 GLY A 70 6.269 8.220 2.925 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.668 9.794 3.408 1.00 0.00 H new ATOM 1066 N THR A 71 3.679 9.305 1.231 1.00 0.00 N ATOM 1067 CA THR A 71 2.322 8.980 0.794 1.00 0.00 C ATOM 1068 C THR A 71 2.364 8.265 -0.555 1.00 0.00 C ATOM 1069 O THR A 71 3.297 8.448 -1.342 1.00 0.00 O ATOM 1070 CB THR A 71 1.474 10.252 0.658 1.00 0.00 C ATOM 1071 OG1 THR A 71 2.054 11.114 -0.318 1.00 0.00 O ATOM 1072 CG2 THR A 71 1.406 10.969 2.009 1.00 0.00 C ATOM 0 H THR A 71 4.120 10.064 0.711 1.00 0.00 H new ATOM 0 HA THR A 71 1.872 8.330 1.545 1.00 0.00 H new ATOM 0 HB THR A 71 0.466 9.983 0.343 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.350 11.470 -0.900 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.804 11.872 1.912 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.953 10.309 2.749 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.413 11.237 2.330 1.00 0.00 H new ATOM 1080 N VAL A 72 1.344 7.449 -0.813 1.00 0.00 N ATOM 1081 CA VAL A 72 1.276 6.708 -2.069 1.00 0.00 C ATOM 1082 C VAL A 72 0.253 7.336 -3.009 1.00 0.00 C ATOM 1083 O VAL A 72 -0.948 7.329 -2.737 1.00 0.00 O ATOM 1084 CB VAL A 72 0.890 5.245 -1.815 1.00 0.00 C ATOM 1085 CG1 VAL A 72 0.574 4.541 -3.145 1.00 0.00 C ATOM 1086 CG2 VAL A 72 2.054 4.524 -1.126 1.00 0.00 C ATOM 0 H VAL A 72 0.563 7.286 -0.178 1.00 0.00 H new ATOM 0 HA VAL A 72 2.263 6.746 -2.530 1.00 0.00 H new ATOM 0 HB VAL A 72 0.006 5.217 -1.178 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.301 3.503 -2.952 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.256 5.048 -3.637 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.452 4.571 -3.790 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.782 3.484 -0.945 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.935 4.562 -1.766 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.274 5.012 -0.177 1.00 0.00 H new ATOM 1096 N ASP A 73 0.747 7.850 -4.134 1.00 0.00 N ATOM 1097 CA ASP A 73 -0.125 8.451 -5.135 1.00 0.00 C ATOM 1098 C ASP A 73 -0.656 7.349 -6.052 1.00 0.00 C ATOM 1099 O ASP A 73 -0.288 6.182 -5.914 1.00 0.00 O ATOM 1100 CB ASP A 73 0.635 9.489 -5.972 1.00 0.00 C ATOM 1101 CG ASP A 73 1.161 10.599 -5.063 1.00 0.00 C ATOM 1102 OD1 ASP A 73 2.258 10.448 -4.548 1.00 0.00 O ATOM 1103 OD2 ASP A 73 0.460 11.585 -4.897 1.00 0.00 O ATOM 0 H ASP A 73 1.739 7.862 -4.372 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.948 8.955 -4.629 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.463 9.012 -6.496 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.023 9.910 -6.732 1.00 0.00 H new ATOM 1108 N PHE A 74 -1.534 7.723 -6.979 1.00 0.00 N ATOM 1109 CA PHE A 74 -2.118 6.748 -7.903 1.00 0.00 C ATOM 1110 C PHE A 74 -1.058 6.123 -8.822 1.00 0.00 C ATOM 1111 O PHE A 74 -1.245 5.019 -9.335 1.00 0.00 O ATOM 1112 CB PHE A 74 -3.195 7.420 -8.761 1.00 0.00 C ATOM 1113 CG PHE A 74 -4.087 6.376 -9.392 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -4.437 5.221 -8.682 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -4.570 6.574 -10.688 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -5.270 4.263 -9.271 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -5.405 5.619 -11.277 1.00 0.00 C ATOM 1118 CZ PHE A 74 -5.755 4.463 -10.571 1.00 0.00 C ATOM 0 H PHE A 74 -1.855 8.682 -7.112 1.00 0.00 H new ATOM 0 HA PHE A 74 -2.558 5.953 -7.301 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.791 8.095 -8.147 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.727 8.026 -9.537 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.064 5.069 -7.680 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.299 7.465 -11.235 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.539 3.371 -8.725 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.780 5.774 -12.278 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.398 3.725 -11.027 1.00 0.00 H new ATOM 1128 N ASP A 75 0.051 6.840 -9.027 1.00 0.00 N ATOM 1129 CA ASP A 75 1.126 6.350 -9.895 1.00 0.00 C ATOM 1130 C ASP A 75 1.846 5.159 -9.265 1.00 0.00 C ATOM 1131 O ASP A 75 1.943 4.093 -9.875 1.00 0.00 O ATOM 1132 CB ASP A 75 2.142 7.464 -10.176 1.00 0.00 C ATOM 1133 CG ASP A 75 1.764 8.185 -11.467 1.00 0.00 C ATOM 1134 OD1 ASP A 75 0.953 9.094 -11.399 1.00 0.00 O ATOM 1135 OD2 ASP A 75 2.294 7.819 -12.503 1.00 0.00 O ATOM 0 H ASP A 75 0.227 7.753 -8.608 1.00 0.00 H new ATOM 0 HA ASP A 75 0.669 6.030 -10.831 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.163 8.170 -9.346 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.144 7.044 -10.262 1.00 0.00 H new ATOM 1140 N GLU A 76 2.344 5.341 -8.037 1.00 0.00 N ATOM 1141 CA GLU A 76 3.044 4.255 -7.344 1.00 0.00 C ATOM 1142 C GLU A 76 2.058 3.179 -6.866 1.00 0.00 C ATOM 1143 O GLU A 76 2.461 2.078 -6.484 1.00 0.00 O ATOM 1144 CB GLU A 76 3.853 4.788 -6.157 1.00 0.00 C ATOM 1145 CG GLU A 76 2.970 5.620 -5.223 1.00 0.00 C ATOM 1146 CD GLU A 76 3.820 6.688 -4.538 1.00 0.00 C ATOM 1147 OE1 GLU A 76 4.451 6.372 -3.544 1.00 0.00 O ATOM 1148 OE2 GLU A 76 3.820 7.810 -5.012 1.00 0.00 O ATOM 0 H GLU A 76 2.278 6.212 -7.511 1.00 0.00 H new ATOM 0 HA GLU A 76 3.733 3.803 -8.058 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.289 3.955 -5.605 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.680 5.397 -6.520 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.164 6.088 -5.788 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.504 4.977 -4.477 1.00 0.00 H new ATOM 1155 N PHE A 77 0.763 3.505 -6.910 1.00 0.00 N ATOM 1156 CA PHE A 77 -0.279 2.564 -6.503 1.00 0.00 C ATOM 1157 C PHE A 77 -0.523 1.523 -7.603 1.00 0.00 C ATOM 1158 O PHE A 77 -0.744 0.345 -7.314 1.00 0.00 O ATOM 1159 CB PHE A 77 -1.585 3.322 -6.212 1.00 0.00 C ATOM 1160 CG PHE A 77 -2.664 2.365 -5.756 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -2.670 1.892 -4.438 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -3.662 1.954 -6.652 1.00 0.00 C ATOM 1163 CE1 PHE A 77 -3.672 1.009 -4.016 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -4.663 1.071 -6.229 1.00 0.00 C ATOM 1165 CZ PHE A 77 -4.667 0.599 -4.910 1.00 0.00 C ATOM 0 H PHE A 77 0.414 4.411 -7.223 1.00 0.00 H new ATOM 0 HA PHE A 77 0.052 2.051 -5.600 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.411 4.076 -5.444 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.913 3.849 -7.108 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.902 2.208 -3.747 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.658 2.319 -7.669 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.677 0.644 -2.999 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.431 0.754 -6.919 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.439 -0.082 -4.583 1.00 0.00 H new ATOM 1175 N LEU A 78 -0.493 1.970 -8.865 1.00 0.00 N ATOM 1176 CA LEU A 78 -0.725 1.067 -9.996 1.00 0.00 C ATOM 1177 C LEU A 78 0.522 0.251 -10.346 1.00 0.00 C ATOM 1178 O LEU A 78 0.415 -0.904 -10.754 1.00 0.00 O ATOM 1179 CB LEU A 78 -1.142 1.862 -11.230 1.00 0.00 C ATOM 1180 CG LEU A 78 -2.518 2.523 -11.139 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -2.468 3.884 -11.829 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -3.557 1.631 -11.824 1.00 0.00 C ATOM 0 H LEU A 78 -0.313 2.940 -9.125 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.518 0.382 -9.695 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.396 2.635 -11.415 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.132 1.196 -12.093 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.795 2.658 -10.093 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.447 4.360 -11.767 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.727 4.514 -11.338 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.195 3.751 -12.876 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.539 2.101 -11.760 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.287 1.496 -12.871 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.586 0.660 -11.329 1.00 0.00 H new ATOM 1194 N VAL A 79 1.703 0.858 -10.197 1.00 0.00 N ATOM 1195 CA VAL A 79 2.953 0.158 -10.520 1.00 0.00 C ATOM 1196 C VAL A 79 3.103 -1.122 -9.692 1.00 0.00 C ATOM 1197 O VAL A 79 3.708 -2.087 -10.145 1.00 0.00 O ATOM 1198 CB VAL A 79 4.181 1.048 -10.278 1.00 0.00 C ATOM 1199 CG1 VAL A 79 4.198 2.194 -11.294 1.00 0.00 C ATOM 1200 CG2 VAL A 79 4.141 1.624 -8.862 1.00 0.00 C ATOM 0 H VAL A 79 1.822 1.814 -9.862 1.00 0.00 H new ATOM 0 HA VAL A 79 2.900 -0.096 -11.579 1.00 0.00 H new ATOM 0 HB VAL A 79 5.082 0.445 -10.394 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.071 2.823 -11.119 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.242 1.785 -12.303 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.293 2.791 -11.184 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.016 2.254 -8.700 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.237 2.220 -8.737 1.00 0.00 H new ATOM 0 HG23 VAL A 79 4.141 0.809 -8.138 1.00 0.00 H new ATOM 1210 N MET A 80 2.550 -1.112 -8.476 1.00 0.00 N ATOM 1211 CA MET A 80 2.629 -2.276 -7.580 1.00 0.00 C ATOM 1212 C MET A 80 2.181 -3.575 -8.267 1.00 0.00 C ATOM 1213 O MET A 80 2.779 -4.631 -8.053 1.00 0.00 O ATOM 1214 CB MET A 80 1.745 -2.055 -6.349 1.00 0.00 C ATOM 1215 CG MET A 80 2.597 -1.563 -5.178 1.00 0.00 C ATOM 1216 SD MET A 80 1.714 -1.850 -3.624 1.00 0.00 S ATOM 1217 CE MET A 80 0.227 -0.897 -4.019 1.00 0.00 C ATOM 0 H MET A 80 2.044 -0.316 -8.088 1.00 0.00 H new ATOM 0 HA MET A 80 3.676 -2.378 -7.293 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.967 -1.326 -6.575 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.243 -2.984 -6.080 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.554 -2.085 -5.166 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.815 -0.501 -5.294 1.00 0.00 H new ATOM 0 HE1 MET A 80 -0.419 -0.851 -3.143 1.00 0.00 H new ATOM 0 HE2 MET A 80 0.510 0.113 -4.314 1.00 0.00 H new ATOM 0 HE3 MET A 80 -0.307 -1.378 -4.839 1.00 0.00 H new ATOM 1227 N MET A 81 1.112 -3.496 -9.068 1.00 0.00 N ATOM 1228 CA MET A 81 0.584 -4.692 -9.744 1.00 0.00 C ATOM 1229 C MET A 81 1.398 -5.079 -10.987 1.00 0.00 C ATOM 1230 O MET A 81 1.528 -6.262 -11.305 1.00 0.00 O ATOM 1231 CB MET A 81 -0.887 -4.487 -10.143 1.00 0.00 C ATOM 1232 CG MET A 81 -1.026 -3.337 -11.147 1.00 0.00 C ATOM 1233 SD MET A 81 -2.529 -3.571 -12.128 1.00 0.00 S ATOM 1234 CE MET A 81 -2.342 -2.112 -13.183 1.00 0.00 C ATOM 0 H MET A 81 0.602 -2.635 -9.263 1.00 0.00 H new ATOM 0 HA MET A 81 0.664 -5.509 -9.026 1.00 0.00 H new ATOM 0 HB2 MET A 81 -1.281 -5.405 -10.579 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.483 -4.274 -9.255 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.067 -2.383 -10.621 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.154 -3.303 -11.800 1.00 0.00 H new ATOM 0 HE1 MET A 81 -3.113 -1.382 -12.935 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.359 -1.670 -13.022 1.00 0.00 H new ATOM 0 HE3 MET A 81 -2.442 -2.404 -14.228 1.00 0.00 H new ATOM 1244 N VAL A 82 1.923 -4.078 -11.697 1.00 0.00 N ATOM 1245 CA VAL A 82 2.698 -4.339 -12.922 1.00 0.00 C ATOM 1246 C VAL A 82 4.181 -4.615 -12.632 1.00 0.00 C ATOM 1247 O VAL A 82 4.835 -5.336 -13.387 1.00 0.00 O ATOM 1248 CB VAL A 82 2.590 -3.166 -13.910 1.00 0.00 C ATOM 1249 CG1 VAL A 82 1.218 -3.191 -14.589 1.00 0.00 C ATOM 1250 CG2 VAL A 82 2.768 -1.835 -13.173 1.00 0.00 C ATOM 0 H VAL A 82 1.831 -3.092 -11.454 1.00 0.00 H new ATOM 0 HA VAL A 82 2.264 -5.234 -13.367 1.00 0.00 H new ATOM 0 HB VAL A 82 3.374 -3.265 -14.661 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.143 -2.359 -15.289 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.096 -4.131 -15.128 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.437 -3.101 -13.834 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.689 -1.012 -13.884 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.993 -1.733 -12.413 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.748 -1.811 -12.697 1.00 0.00 H new ATOM 1260 N ARG A 83 4.709 -4.046 -11.543 1.00 0.00 N ATOM 1261 CA ARG A 83 6.119 -4.257 -11.188 1.00 0.00 C ATOM 1262 C ARG A 83 6.362 -5.692 -10.697 1.00 0.00 C ATOM 1263 O ARG A 83 7.503 -6.154 -10.650 1.00 0.00 O ATOM 1264 CB ARG A 83 6.561 -3.268 -10.098 1.00 0.00 C ATOM 1265 CG ARG A 83 5.808 -3.544 -8.789 1.00 0.00 C ATOM 1266 CD ARG A 83 6.811 -3.797 -7.662 1.00 0.00 C ATOM 1267 NE ARG A 83 7.180 -5.213 -7.597 1.00 0.00 N ATOM 1268 CZ ARG A 83 8.305 -5.623 -6.994 1.00 0.00 C ATOM 1269 NH1 ARG A 83 9.108 -4.762 -6.412 1.00 0.00 N ATOM 1270 NH2 ARG A 83 8.601 -6.899 -6.979 1.00 0.00 N ATOM 0 H ARG A 83 4.192 -3.445 -10.901 1.00 0.00 H new ATOM 0 HA ARG A 83 6.708 -4.089 -12.090 1.00 0.00 H new ATOM 0 HB2 ARG A 83 7.635 -3.355 -9.933 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.371 -2.246 -10.426 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.171 -2.696 -8.539 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.155 -4.408 -8.909 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.703 -3.192 -7.822 1.00 0.00 H new ATOM 0 HD3 ARG A 83 6.381 -3.485 -6.710 1.00 0.00 H new ATOM 0 HE ARG A 83 6.564 -5.906 -8.022 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.879 -3.768 -6.415 1.00 0.00 H new ATOM 0 HH12 ARG A 83 9.961 -5.087 -5.957 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.977 -7.572 -7.424 1.00 0.00 H new ATOM 0 HH22 ARG A 83 9.455 -7.219 -6.522 1.00 0.00 H new ATOM 1284 N CYS A 84 5.277 -6.387 -10.332 1.00 0.00 N ATOM 1285 CA CYS A 84 5.381 -7.765 -9.846 1.00 0.00 C ATOM 1286 C CYS A 84 5.620 -8.757 -10.993 1.00 0.00 C ATOM 1287 O CYS A 84 5.994 -9.907 -10.752 1.00 0.00 O ATOM 1288 CB CYS A 84 4.099 -8.165 -9.110 1.00 0.00 C ATOM 1289 SG CYS A 84 4.166 -7.560 -7.406 1.00 0.00 S ATOM 0 H CYS A 84 4.326 -6.020 -10.364 1.00 0.00 H new ATOM 0 HA CYS A 84 6.234 -7.803 -9.168 1.00 0.00 H new ATOM 0 HB2 CYS A 84 3.230 -7.750 -9.620 1.00 0.00 H new ATOM 0 HB3 CYS A 84 3.986 -9.249 -9.118 1.00 0.00 H new ATOM 0 HG CYS A 84 3.682 -6.354 -7.354 1.00 0.00 H new