USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 618 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 94 ASN : amide:sc= 1.24 K(o=2.3,f=-4.6!) USER MOD Set 1.2: A 98 HIS : no HE2:sc= 1.06 K(o=2.3,f=-9.1!) USER MOD Set 2.1: A 36 THR OG1 : rot 115:sc= 1.02 USER MOD Set 2.2: A 38 SER OG : rot 180:sc= 0.627 USER MOD Set 2.3: A 39 GLN : amide:sc= 0.0319 X(o=1.7,f=1.6) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -2.58! K(o=-2.6!,f=-0.21) USER MOD Single : A 25 GLN : amide:sc= -1.32 K(o=-1.3,f=-5.1!) USER MOD Single : A 30 LYS NZ :NH3+ -167:sc= -0.0413 (180deg=-0.282) USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -162:sc= 0.487 (180deg=-0.608!) USER MOD Single : A 43 LYS NZ :NH3+ -156:sc= 0.698 (180deg=-0.676) USER MOD Single : A 44 MET CE :methyl -143:sc= -4.27! (180deg=-7.46!) USER MOD Single : A 47 GLN : amide:sc= -2.8! C(o=-2.8!,f=-4.8!) USER MOD Single : A 69 SER OG : rot -110:sc= -0.106 USER MOD Single : A 74 HIS : no HE2:sc= 1.15 K(o=1.1,f=-4.9!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot -149:sc= -1.65! USER MOD Single : A 97 GLN : amide:sc= -1.07! X(o=-1.1!,f=-1) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -166:sc= 1.18 (180deg=1.09) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 87 N TYR A 6 -9.178 6.164 0.974 1.00 1.00 N ATOM 88 CA TYR A 6 -10.403 5.747 0.401 1.00 1.00 C ATOM 89 C TYR A 6 -11.081 4.956 1.465 1.00 1.00 C ATOM 90 O TYR A 6 -10.474 4.687 2.504 1.00 1.00 O ATOM 91 CB TYR A 6 -10.139 4.825 -0.799 1.00 1.00 C ATOM 92 CG TYR A 6 -9.029 5.265 -1.736 1.00 1.00 C ATOM 93 CD1 TYR A 6 -9.252 6.180 -2.736 1.00 1.00 C ATOM 94 CD2 TYR A 6 -7.759 4.728 -1.615 1.00 1.00 C ATOM 95 CE1 TYR A 6 -8.242 6.554 -3.599 1.00 1.00 C ATOM 96 CE2 TYR A 6 -6.741 5.098 -2.459 1.00 1.00 C ATOM 97 CZ TYR A 6 -6.982 6.011 -3.452 1.00 1.00 C ATOM 98 OH TYR A 6 -5.964 6.372 -4.311 1.00 1.00 O ATOM 0 HA TYR A 6 -10.994 6.596 0.058 1.00 1.00 H new ATOM 0 HB2 TYR A 6 -9.899 3.830 -0.423 1.00 1.00 H new ATOM 0 HB3 TYR A 6 -11.061 4.735 -1.374 1.00 1.00 H new ATOM 0 HD1 TYR A 6 -10.234 6.614 -2.849 1.00 1.00 H new ATOM 0 HD2 TYR A 6 -7.564 4.002 -0.840 1.00 1.00 H new ATOM 0 HE1 TYR A 6 -8.437 7.268 -4.385 1.00 1.00 H new ATOM 0 HE2 TYR A 6 -5.756 4.672 -2.341 1.00 1.00 H new ATOM 0 HH TYR A 6 -5.144 5.896 -4.064 1.00 1.00 H new ATOM 108 N ARG A 7 -12.278 4.571 1.239 1.00 1.00 N ATOM 109 CA ARG A 7 -12.991 3.815 2.246 1.00 1.00 C ATOM 110 C ARG A 7 -13.169 2.385 1.813 1.00 1.00 C ATOM 111 O ARG A 7 -13.843 2.130 0.828 1.00 1.00 O ATOM 112 CB ARG A 7 -14.368 4.423 2.532 1.00 1.00 C ATOM 113 CG ARG A 7 -14.345 5.897 2.837 1.00 1.00 C ATOM 114 CD ARG A 7 -13.819 6.183 4.228 1.00 1.00 C ATOM 115 NE ARG A 7 -14.093 7.566 4.626 1.00 1.00 N ATOM 116 CZ ARG A 7 -13.641 8.150 5.741 1.00 1.00 C ATOM 117 NH1 ARG A 7 -12.838 7.487 6.567 1.00 1.00 N ATOM 118 NH2 ARG A 7 -13.988 9.403 6.022 1.00 1.00 N ATOM 0 H ARG A 7 -12.798 4.754 0.381 1.00 1.00 H new ATOM 0 HA ARG A 7 -12.392 3.851 3.156 1.00 1.00 H new ATOM 0 HB2 ARG A 7 -15.013 4.253 1.670 1.00 1.00 H new ATOM 0 HB3 ARG A 7 -14.816 3.897 3.375 1.00 1.00 H new ATOM 0 HG2 ARG A 7 -13.723 6.409 2.103 1.00 1.00 H new ATOM 0 HG3 ARG A 7 -15.352 6.302 2.740 1.00 1.00 H new ATOM 0 HD2 ARG A 7 -14.279 5.499 4.941 1.00 1.00 H new ATOM 0 HD3 ARG A 7 -12.745 6.000 4.258 1.00 1.00 H new ATOM 0 HE ARG A 7 -14.674 8.128 4.004 1.00 1.00 H new ATOM 0 HH11 ARG A 7 -12.564 6.528 6.352 1.00 1.00 H new ATOM 0 HH12 ARG A 7 -12.496 7.937 7.416 1.00 1.00 H new ATOM 0 HH21 ARG A 7 -14.598 9.918 5.387 1.00 1.00 H new ATOM 0 HH22 ARG A 7 -13.644 9.849 6.872 1.00 1.00 H new ATOM 132 N PRO A 8 -12.490 1.435 2.471 1.00 1.00 N ATOM 133 CA PRO A 8 -12.797 0.024 2.298 1.00 1.00 C ATOM 134 C PRO A 8 -14.237 -0.205 2.770 1.00 1.00 C ATOM 135 O PRO A 8 -14.519 -0.297 3.979 1.00 1.00 O ATOM 136 CB PRO A 8 -11.800 -0.691 3.223 1.00 1.00 C ATOM 137 CG PRO A 8 -10.718 0.307 3.481 1.00 1.00 C ATOM 138 CD PRO A 8 -11.351 1.662 3.373 1.00 1.00 C ATOM 0 HA PRO A 8 -12.717 -0.331 1.270 1.00 1.00 H new ATOM 0 HB2 PRO A 8 -12.278 -1.002 4.152 1.00 1.00 H new ATOM 0 HB3 PRO A 8 -11.402 -1.590 2.753 1.00 1.00 H new ATOM 0 HG2 PRO A 8 -10.283 0.160 4.470 1.00 1.00 H new ATOM 0 HG3 PRO A 8 -9.910 0.198 2.758 1.00 1.00 H new ATOM 0 HD2 PRO A 8 -11.676 2.032 4.345 1.00 1.00 H new ATOM 0 HD3 PRO A 8 -10.657 2.398 2.967 1.00 1.00 H new ATOM 146 N LEU A 9 -15.122 -0.273 1.832 1.00 1.00 N ATOM 147 CA LEU A 9 -16.522 -0.308 2.090 1.00 1.00 C ATOM 148 C LEU A 9 -17.037 -1.706 1.787 1.00 1.00 C ATOM 149 O LEU A 9 -16.729 -2.274 0.733 1.00 1.00 O ATOM 150 CB LEU A 9 -17.196 0.754 1.183 1.00 1.00 C ATOM 151 CG LEU A 9 -18.552 1.357 1.628 1.00 1.00 C ATOM 152 CD1 LEU A 9 -19.659 0.330 1.677 1.00 1.00 C ATOM 153 CD2 LEU A 9 -18.415 2.079 2.962 1.00 1.00 C ATOM 0 H LEU A 9 -14.885 -0.307 0.840 1.00 1.00 H new ATOM 0 HA LEU A 9 -16.748 -0.081 3.132 1.00 1.00 H new ATOM 0 HB2 LEU A 9 -16.493 1.577 1.059 1.00 1.00 H new ATOM 0 HB3 LEU A 9 -17.340 0.306 0.200 1.00 1.00 H new ATOM 0 HG LEU A 9 -18.836 2.085 0.868 1.00 1.00 H new ATOM 0 HD11 LEU A 9 -20.585 0.808 1.995 1.00 1.00 H new ATOM 0 HD12 LEU A 9 -19.796 -0.105 0.687 1.00 1.00 H new ATOM 0 HD13 LEU A 9 -19.395 -0.456 2.385 1.00 1.00 H new ATOM 0 HD21 LEU A 9 -19.380 2.493 3.252 1.00 1.00 H new ATOM 0 HD22 LEU A 9 -18.078 1.376 3.724 1.00 1.00 H new ATOM 0 HD23 LEU A 9 -17.688 2.886 2.866 1.00 1.00 H new ATOM 165 N THR A 10 -17.771 -2.274 2.709 1.00 1.00 N ATOM 166 CA THR A 10 -18.305 -3.589 2.532 1.00 1.00 C ATOM 167 C THR A 10 -19.673 -3.510 1.858 1.00 1.00 C ATOM 168 O THR A 10 -20.521 -2.727 2.257 1.00 1.00 O ATOM 169 CB THR A 10 -18.431 -4.295 3.888 1.00 1.00 C ATOM 170 OG1 THR A 10 -17.207 -4.120 4.612 1.00 1.00 O ATOM 171 CG2 THR A 10 -18.684 -5.786 3.705 1.00 1.00 C ATOM 0 H THR A 10 -18.011 -1.836 3.598 1.00 1.00 H new ATOM 0 HA THR A 10 -17.628 -4.161 1.898 1.00 1.00 H new ATOM 0 HB THR A 10 -19.271 -3.863 4.432 1.00 1.00 H new ATOM 0 HG1 THR A 10 -17.275 -4.566 5.482 1.00 1.00 H new ATOM 0 HG21 THR A 10 -18.769 -6.263 4.681 1.00 1.00 H new ATOM 0 HG22 THR A 10 -19.609 -5.932 3.147 1.00 1.00 H new ATOM 0 HG23 THR A 10 -17.855 -6.231 3.155 1.00 1.00 H new ATOM 179 N LEU A 11 -19.844 -4.266 0.825 1.00 1.00 N ATOM 180 CA LEU A 11 -21.082 -4.352 0.108 1.00 1.00 C ATOM 181 C LEU A 11 -21.591 -5.766 0.111 1.00 1.00 C ATOM 182 O LEU A 11 -20.811 -6.725 0.126 1.00 1.00 O ATOM 183 CB LEU A 11 -20.933 -3.868 -1.338 1.00 1.00 C ATOM 184 CG LEU A 11 -21.030 -2.373 -1.592 1.00 1.00 C ATOM 185 CD1 LEU A 11 -22.151 -1.783 -0.793 1.00 1.00 C ATOM 186 CD2 LEU A 11 -19.727 -1.680 -1.288 1.00 1.00 C ATOM 0 H LEU A 11 -19.108 -4.860 0.442 1.00 1.00 H new ATOM 0 HA LEU A 11 -21.796 -3.703 0.615 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -19.967 -4.210 -1.709 1.00 1.00 H new ATOM 0 HB3 LEU A 11 -21.698 -4.361 -1.938 1.00 1.00 H new ATOM 0 HG LEU A 11 -21.241 -2.221 -2.650 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -22.209 -0.711 -0.984 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -23.091 -2.255 -1.081 1.00 1.00 H new ATOM 0 HD13 LEU A 11 -21.970 -1.953 0.268 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -19.830 -0.612 -1.480 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -19.467 -1.837 -0.241 1.00 1.00 H new ATOM 0 HD23 LEU A 11 -18.941 -2.089 -1.923 1.00 1.00 H new ATOM 198 N ASN A 12 -22.868 -5.899 0.116 1.00 1.00 N ATOM 199 CA ASN A 12 -23.491 -7.171 0.065 1.00 1.00 C ATOM 200 C ASN A 12 -23.739 -7.536 -1.390 1.00 1.00 C ATOM 201 O ASN A 12 -24.594 -6.941 -2.054 1.00 1.00 O ATOM 202 CB ASN A 12 -24.795 -7.122 0.840 1.00 1.00 C ATOM 203 CG ASN A 12 -25.517 -8.439 0.874 1.00 1.00 C ATOM 204 OD1 ASN A 12 -25.299 -9.259 1.768 1.00 1.00 O ATOM 205 ND2 ASN A 12 -26.369 -8.658 -0.081 1.00 1.00 N ATOM 0 H ASN A 12 -23.519 -5.115 0.156 1.00 1.00 H new ATOM 0 HA ASN A 12 -22.851 -7.929 0.516 1.00 1.00 H new ATOM 0 HB2 ASN A 12 -24.590 -6.801 1.862 1.00 1.00 H new ATOM 0 HB3 ASN A 12 -25.446 -6.370 0.394 1.00 1.00 H new ATOM 0 HD21 ASN A 12 -26.888 -9.536 -0.110 1.00 1.00 H new ATOM 0 HD22 ASN A 12 -26.520 -7.952 -0.802 1.00 1.00 H new ATOM 212 N ALA A 13 -22.982 -8.485 -1.875 1.00 1.00 N ATOM 213 CA ALA A 13 -23.061 -8.926 -3.256 1.00 1.00 C ATOM 214 C ALA A 13 -24.295 -9.757 -3.488 1.00 1.00 C ATOM 215 O ALA A 13 -24.400 -10.908 -3.010 1.00 1.00 O ATOM 216 CB ALA A 13 -21.820 -9.720 -3.637 1.00 1.00 C ATOM 0 H ALA A 13 -22.284 -8.983 -1.322 1.00 1.00 H new ATOM 0 HA ALA A 13 -23.119 -8.039 -3.886 1.00 1.00 H new ATOM 0 HB1 ALA A 13 -21.898 -10.042 -4.676 1.00 1.00 H new ATOM 0 HB2 ALA A 13 -20.936 -9.094 -3.517 1.00 1.00 H new ATOM 0 HB3 ALA A 13 -21.735 -10.594 -2.992 1.00 1.00 H new ATOM 222 N LEU A 14 -25.220 -9.201 -4.200 1.00 1.00 N ATOM 223 CA LEU A 14 -26.440 -9.860 -4.481 1.00 1.00 C ATOM 224 C LEU A 14 -26.806 -9.627 -5.951 1.00 1.00 C ATOM 225 O LEU A 14 -26.195 -8.794 -6.628 1.00 1.00 O ATOM 226 CB LEU A 14 -27.517 -9.313 -3.543 1.00 1.00 C ATOM 227 CG LEU A 14 -28.844 -10.047 -3.526 1.00 1.00 C ATOM 228 CD1 LEU A 14 -28.645 -11.480 -3.050 1.00 1.00 C ATOM 229 CD2 LEU A 14 -29.823 -9.314 -2.636 1.00 1.00 C ATOM 0 H LEU A 14 -25.143 -8.268 -4.604 1.00 1.00 H new ATOM 0 HA LEU A 14 -26.351 -10.934 -4.319 1.00 1.00 H new ATOM 0 HB2 LEU A 14 -27.116 -9.312 -2.529 1.00 1.00 H new ATOM 0 HB3 LEU A 14 -27.707 -8.274 -3.812 1.00 1.00 H new ATOM 0 HG LEU A 14 -29.251 -10.078 -4.537 1.00 1.00 H new ATOM 0 HD11 LEU A 14 -29.604 -11.997 -3.042 1.00 1.00 H new ATOM 0 HD12 LEU A 14 -27.961 -11.995 -3.724 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -28.227 -11.474 -2.043 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -30.775 -9.845 -2.627 1.00 1.00 H new ATOM 0 HD22 LEU A 14 -29.426 -9.264 -1.622 1.00 1.00 H new ATOM 0 HD23 LEU A 14 -29.975 -8.304 -3.017 1.00 1.00 H new ATOM 241 N LEU A 15 -27.745 -10.373 -6.447 1.00 1.00 N ATOM 242 CA LEU A 15 -28.195 -10.231 -7.805 1.00 1.00 C ATOM 243 C LEU A 15 -29.711 -10.167 -7.830 1.00 1.00 C ATOM 244 O LEU A 15 -30.375 -10.813 -7.015 1.00 1.00 O ATOM 245 CB LEU A 15 -27.627 -11.358 -8.702 1.00 1.00 C ATOM 246 CG LEU A 15 -28.405 -12.679 -8.787 1.00 1.00 C ATOM 247 CD1 LEU A 15 -27.747 -13.605 -9.792 1.00 1.00 C ATOM 248 CD2 LEU A 15 -28.471 -13.363 -7.441 1.00 1.00 C ATOM 0 H LEU A 15 -28.226 -11.103 -5.921 1.00 1.00 H new ATOM 0 HA LEU A 15 -27.815 -9.297 -8.220 1.00 1.00 H new ATOM 0 HB2 LEU A 15 -27.531 -10.962 -9.713 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -26.620 -11.586 -8.352 1.00 1.00 H new ATOM 0 HG LEU A 15 -29.421 -12.449 -9.108 1.00 1.00 H new ATOM 0 HD11 LEU A 15 -28.305 -14.540 -9.846 1.00 1.00 H new ATOM 0 HD12 LEU A 15 -27.739 -13.130 -10.773 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -26.723 -13.812 -9.480 1.00 1.00 H new ATOM 0 HD21 LEU A 15 -29.028 -14.295 -7.534 1.00 1.00 H new ATOM 0 HD22 LEU A 15 -27.461 -13.577 -7.092 1.00 1.00 H new ATOM 0 HD23 LEU A 15 -28.972 -12.711 -6.726 1.00 1.00 H new ATOM 260 N ALA A 16 -30.247 -9.378 -8.712 1.00 1.00 N ATOM 261 CA ALA A 16 -31.679 -9.193 -8.800 1.00 1.00 C ATOM 262 C ALA A 16 -32.188 -9.730 -10.126 1.00 1.00 C ATOM 263 O ALA A 16 -33.085 -9.157 -10.737 1.00 1.00 O ATOM 264 CB ALA A 16 -31.990 -7.721 -8.669 1.00 1.00 C ATOM 0 H ALA A 16 -29.711 -8.841 -9.394 1.00 1.00 H new ATOM 0 HA ALA A 16 -32.175 -9.738 -7.997 1.00 1.00 H new ATOM 0 HB1 ALA A 16 -33.067 -7.570 -8.734 1.00 1.00 H new ATOM 0 HB2 ALA A 16 -31.630 -7.357 -7.707 1.00 1.00 H new ATOM 0 HB3 ALA A 16 -31.497 -7.172 -9.472 1.00 1.00 H new ATOM 270 N VAL A 17 -31.621 -10.848 -10.550 1.00 1.00 N ATOM 271 CA VAL A 17 -31.901 -11.436 -11.810 1.00 1.00 C ATOM 272 C VAL A 17 -33.346 -11.961 -11.917 1.00 1.00 C ATOM 273 O VAL A 17 -34.017 -11.753 -12.939 1.00 1.00 O ATOM 274 CB VAL A 17 -30.875 -12.549 -12.069 1.00 1.00 C ATOM 275 CG1 VAL A 17 -31.274 -13.377 -13.218 1.00 1.00 C ATOM 276 CG2 VAL A 17 -29.505 -11.952 -12.304 1.00 1.00 C ATOM 0 H VAL A 17 -30.939 -11.369 -9.999 1.00 1.00 H new ATOM 0 HA VAL A 17 -31.816 -10.667 -12.578 1.00 1.00 H new ATOM 0 HB VAL A 17 -30.836 -13.188 -11.187 1.00 1.00 H new ATOM 0 HG11 VAL A 17 -30.530 -14.157 -13.380 1.00 1.00 H new ATOM 0 HG12 VAL A 17 -32.243 -13.835 -13.018 1.00 1.00 H new ATOM 0 HG13 VAL A 17 -31.345 -12.753 -14.109 1.00 1.00 H new ATOM 0 HG21 VAL A 17 -28.786 -12.751 -12.486 1.00 1.00 H new ATOM 0 HG22 VAL A 17 -29.540 -11.291 -13.170 1.00 1.00 H new ATOM 0 HG23 VAL A 17 -29.200 -11.384 -11.425 1.00 1.00 H new ATOM 286 N GLY A 18 -33.813 -12.638 -10.891 1.00 1.00 N ATOM 287 CA GLY A 18 -35.155 -13.145 -10.941 1.00 1.00 C ATOM 288 C GLY A 18 -35.484 -14.110 -9.820 1.00 1.00 C ATOM 289 O GLY A 18 -35.964 -13.690 -8.778 1.00 1.00 O ATOM 0 H GLY A 18 -33.296 -12.843 -10.036 1.00 1.00 H new ATOM 0 HA2 GLY A 18 -35.852 -12.308 -10.904 1.00 1.00 H new ATOM 0 HA3 GLY A 18 -35.309 -13.646 -11.897 1.00 1.00 H new ATOM 293 N PRO A 19 -35.224 -15.414 -10.000 1.00 1.00 N ATOM 294 CA PRO A 19 -35.598 -16.462 -9.017 1.00 1.00 C ATOM 295 C PRO A 19 -34.925 -16.292 -7.660 1.00 1.00 C ATOM 296 O PRO A 19 -35.479 -16.677 -6.630 1.00 1.00 O ATOM 297 CB PRO A 19 -35.121 -17.756 -9.682 1.00 1.00 C ATOM 298 CG PRO A 19 -34.073 -17.312 -10.640 1.00 1.00 C ATOM 299 CD PRO A 19 -34.543 -15.995 -11.166 1.00 1.00 C ATOM 0 HA PRO A 19 -36.665 -16.432 -8.798 1.00 1.00 H new ATOM 0 HB2 PRO A 19 -34.719 -18.455 -8.949 1.00 1.00 H new ATOM 0 HB3 PRO A 19 -35.938 -18.265 -10.194 1.00 1.00 H new ATOM 0 HG2 PRO A 19 -33.106 -17.215 -10.146 1.00 1.00 H new ATOM 0 HG3 PRO A 19 -33.948 -18.034 -11.447 1.00 1.00 H new ATOM 0 HD2 PRO A 19 -33.714 -15.373 -11.504 1.00 1.00 H new ATOM 0 HD3 PRO A 19 -35.218 -16.114 -12.013 1.00 1.00 H new ATOM 307 N GLY A 20 -33.753 -15.715 -7.667 1.00 1.00 N ATOM 308 CA GLY A 20 -33.022 -15.507 -6.459 1.00 1.00 C ATOM 309 C GLY A 20 -32.857 -14.041 -6.177 1.00 1.00 C ATOM 310 O GLY A 20 -31.925 -13.631 -5.480 1.00 1.00 O ATOM 0 H GLY A 20 -33.285 -15.380 -8.509 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -33.541 -15.985 -5.628 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -32.042 -15.979 -6.536 1.00 1.00 H new ATOM 314 N ALA A 21 -33.767 -13.243 -6.706 1.00 1.00 N ATOM 315 CA ALA A 21 -33.698 -11.804 -6.559 1.00 1.00 C ATOM 316 C ALA A 21 -34.009 -11.365 -5.135 1.00 1.00 C ATOM 317 O ALA A 21 -35.155 -11.083 -4.788 1.00 1.00 O ATOM 318 CB ALA A 21 -34.616 -11.106 -7.553 1.00 1.00 C ATOM 0 H ALA A 21 -34.568 -13.573 -7.245 1.00 1.00 H new ATOM 0 HA ALA A 21 -32.672 -11.508 -6.776 1.00 1.00 H new ATOM 0 HB1 ALA A 21 -34.543 -10.027 -7.419 1.00 1.00 H new ATOM 0 HB2 ALA A 21 -34.318 -11.367 -8.569 1.00 1.00 H new ATOM 0 HB3 ALA A 21 -35.645 -11.424 -7.384 1.00 1.00 H new ATOM 324 N GLY A 22 -32.992 -11.394 -4.308 1.00 1.00 N ATOM 325 CA GLY A 22 -33.109 -10.881 -2.969 1.00 1.00 C ATOM 326 C GLY A 22 -32.946 -11.962 -1.961 1.00 1.00 C ATOM 327 O GLY A 22 -32.874 -11.707 -0.761 1.00 1.00 O ATOM 0 H GLY A 22 -32.073 -11.769 -4.542 1.00 1.00 H new ATOM 0 HA2 GLY A 22 -32.355 -10.111 -2.805 1.00 1.00 H new ATOM 0 HA3 GLY A 22 -34.082 -10.406 -2.843 1.00 1.00 H new ATOM 331 N GLU A 23 -32.848 -13.171 -2.450 1.00 1.00 N ATOM 332 CA GLU A 23 -32.802 -14.327 -1.598 1.00 1.00 C ATOM 333 C GLU A 23 -31.696 -15.297 -2.006 1.00 1.00 C ATOM 334 O GLU A 23 -31.704 -16.457 -1.609 1.00 1.00 O ATOM 335 CB GLU A 23 -34.135 -15.017 -1.699 1.00 1.00 C ATOM 336 CG GLU A 23 -34.547 -15.365 -3.121 1.00 1.00 C ATOM 337 CD GLU A 23 -35.882 -16.040 -3.179 1.00 1.00 C ATOM 338 OE1 GLU A 23 -35.954 -17.263 -2.902 1.00 1.00 O ATOM 339 OE2 GLU A 23 -36.878 -15.358 -3.506 1.00 1.00 O ATOM 0 H GLU A 23 -32.798 -13.380 -3.447 1.00 1.00 H new ATOM 0 HA GLU A 23 -32.589 -14.008 -0.578 1.00 1.00 H new ATOM 0 HB2 GLU A 23 -34.105 -15.932 -1.107 1.00 1.00 H new ATOM 0 HB3 GLU A 23 -34.898 -14.376 -1.257 1.00 1.00 H new ATOM 0 HG2 GLU A 23 -34.576 -14.455 -3.721 1.00 1.00 H new ATOM 0 HG3 GLU A 23 -33.794 -16.016 -3.566 1.00 1.00 H new ATOM 346 N ALA A 24 -30.744 -14.808 -2.756 1.00 1.00 N ATOM 347 CA ALA A 24 -29.730 -15.668 -3.328 1.00 1.00 C ATOM 348 C ALA A 24 -28.559 -15.944 -2.390 1.00 1.00 C ATOM 349 O ALA A 24 -28.593 -16.869 -1.597 1.00 1.00 O ATOM 350 CB ALA A 24 -29.221 -15.092 -4.626 1.00 1.00 C ATOM 0 H ALA A 24 -30.645 -13.820 -2.988 1.00 1.00 H new ATOM 0 HA ALA A 24 -30.217 -16.626 -3.508 1.00 1.00 H new ATOM 0 HB1 ALA A 24 -28.459 -15.751 -5.043 1.00 1.00 H new ATOM 0 HB2 ALA A 24 -30.047 -15.000 -5.332 1.00 1.00 H new ATOM 0 HB3 ALA A 24 -28.789 -14.108 -4.443 1.00 1.00 H new ATOM 356 N GLN A 25 -27.532 -15.130 -2.494 1.00 1.00 N ATOM 357 CA GLN A 25 -26.310 -15.353 -1.769 1.00 1.00 C ATOM 358 C GLN A 25 -26.092 -14.320 -0.656 1.00 1.00 C ATOM 359 O GLN A 25 -26.006 -14.679 0.513 1.00 1.00 O ATOM 360 CB GLN A 25 -25.146 -15.373 -2.762 1.00 1.00 C ATOM 361 CG GLN A 25 -25.168 -14.205 -3.734 1.00 1.00 C ATOM 362 CD GLN A 25 -24.145 -14.304 -4.811 1.00 1.00 C ATOM 363 OE1 GLN A 25 -23.836 -15.385 -5.307 1.00 1.00 O ATOM 364 NE2 GLN A 25 -23.599 -13.189 -5.163 1.00 1.00 N ATOM 0 H GLN A 25 -27.525 -14.298 -3.083 1.00 1.00 H new ATOM 0 HA GLN A 25 -26.373 -16.317 -1.264 1.00 1.00 H new ATOM 0 HB2 GLN A 25 -24.206 -15.360 -2.210 1.00 1.00 H new ATOM 0 HB3 GLN A 25 -25.173 -16.306 -3.325 1.00 1.00 H new ATOM 0 HG2 GLN A 25 -26.157 -14.141 -4.189 1.00 1.00 H new ATOM 0 HG3 GLN A 25 -25.011 -13.280 -3.180 1.00 1.00 H new ATOM 0 HE21 GLN A 25 -23.890 -12.317 -4.721 1.00 1.00 H new ATOM 0 HE22 GLN A 25 -22.877 -13.180 -5.883 1.00 1.00 H new ATOM 373 N GLY A 26 -26.032 -13.037 -1.033 1.00 1.00 N ATOM 374 CA GLY A 26 -25.769 -11.980 -0.069 1.00 1.00 C ATOM 375 C GLY A 26 -24.393 -12.118 0.549 1.00 1.00 C ATOM 376 O GLY A 26 -24.261 -12.425 1.729 1.00 1.00 O ATOM 0 H GLY A 26 -26.162 -12.715 -1.992 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -25.852 -11.010 -0.560 1.00 1.00 H new ATOM 0 HA3 GLY A 26 -26.525 -12.006 0.716 1.00 1.00 H new ATOM 380 N VAL A 27 -23.372 -11.875 -0.252 1.00 1.00 N ATOM 381 CA VAL A 27 -21.994 -12.099 0.175 1.00 1.00 C ATOM 382 C VAL A 27 -21.308 -10.776 0.503 1.00 1.00 C ATOM 383 O VAL A 27 -21.321 -9.860 -0.310 1.00 1.00 O ATOM 384 CB VAL A 27 -21.182 -12.820 -0.941 1.00 1.00 C ATOM 385 CG1 VAL A 27 -19.809 -13.256 -0.445 1.00 1.00 C ATOM 386 CG2 VAL A 27 -21.958 -14.003 -1.487 1.00 1.00 C ATOM 0 H VAL A 27 -23.466 -11.522 -1.204 1.00 1.00 H new ATOM 0 HA VAL A 27 -22.024 -12.725 1.067 1.00 1.00 H new ATOM 0 HB VAL A 27 -21.026 -12.105 -1.749 1.00 1.00 H new ATOM 0 HG11 VAL A 27 -19.272 -13.755 -1.252 1.00 1.00 H new ATOM 0 HG12 VAL A 27 -19.245 -12.382 -0.121 1.00 1.00 H new ATOM 0 HG13 VAL A 27 -19.926 -13.943 0.393 1.00 1.00 H new ATOM 0 HG21 VAL A 27 -21.374 -14.493 -2.266 1.00 1.00 H new ATOM 0 HG22 VAL A 27 -22.156 -14.711 -0.682 1.00 1.00 H new ATOM 0 HG23 VAL A 27 -22.903 -13.656 -1.906 1.00 1.00 H new ATOM 396 N PRO A 28 -20.716 -10.646 1.695 1.00 1.00 N ATOM 397 CA PRO A 28 -20.000 -9.436 2.069 1.00 1.00 C ATOM 398 C PRO A 28 -18.665 -9.319 1.314 1.00 1.00 C ATOM 399 O PRO A 28 -17.707 -10.073 1.561 1.00 1.00 O ATOM 400 CB PRO A 28 -19.768 -9.594 3.576 1.00 1.00 C ATOM 401 CG PRO A 28 -19.833 -11.063 3.835 1.00 1.00 C ATOM 402 CD PRO A 28 -20.720 -11.656 2.772 1.00 1.00 C ATOM 0 HA PRO A 28 -20.555 -8.531 1.821 1.00 1.00 H new ATOM 0 HB2 PRO A 28 -18.801 -9.186 3.870 1.00 1.00 H new ATOM 0 HB3 PRO A 28 -20.527 -9.060 4.148 1.00 1.00 H new ATOM 0 HG2 PRO A 28 -18.838 -11.506 3.799 1.00 1.00 H new ATOM 0 HG3 PRO A 28 -20.235 -11.263 4.828 1.00 1.00 H new ATOM 0 HD2 PRO A 28 -20.336 -12.614 2.421 1.00 1.00 H new ATOM 0 HD3 PRO A 28 -21.728 -11.834 3.147 1.00 1.00 H new ATOM 410 N VAL A 29 -18.634 -8.409 0.379 1.00 1.00 N ATOM 411 CA VAL A 29 -17.460 -8.134 -0.442 1.00 1.00 C ATOM 412 C VAL A 29 -17.027 -6.684 -0.246 1.00 1.00 C ATOM 413 O VAL A 29 -17.865 -5.804 -0.148 1.00 1.00 O ATOM 414 CB VAL A 29 -17.759 -8.367 -1.940 1.00 1.00 C ATOM 415 CG1 VAL A 29 -16.547 -8.059 -2.804 1.00 1.00 C ATOM 416 CG2 VAL A 29 -18.276 -9.777 -2.190 1.00 1.00 C ATOM 0 H VAL A 29 -19.435 -7.819 0.153 1.00 1.00 H new ATOM 0 HA VAL A 29 -16.666 -8.813 -0.133 1.00 1.00 H new ATOM 0 HB VAL A 29 -18.549 -7.673 -2.227 1.00 1.00 H new ATOM 0 HG11 VAL A 29 -16.793 -8.234 -3.851 1.00 1.00 H new ATOM 0 HG12 VAL A 29 -16.259 -7.017 -2.668 1.00 1.00 H new ATOM 0 HG13 VAL A 29 -15.719 -8.705 -2.513 1.00 1.00 H new ATOM 0 HG21 VAL A 29 -18.476 -9.908 -3.253 1.00 1.00 H new ATOM 0 HG22 VAL A 29 -17.527 -10.501 -1.870 1.00 1.00 H new ATOM 0 HG23 VAL A 29 -19.195 -9.933 -1.626 1.00 1.00 H new ATOM 426 N LYS A 30 -15.733 -6.437 -0.178 1.00 1.00 N ATOM 427 CA LYS A 30 -15.261 -5.082 0.060 1.00 1.00 C ATOM 428 C LYS A 30 -14.711 -4.445 -1.206 1.00 1.00 C ATOM 429 O LYS A 30 -14.139 -5.126 -2.070 1.00 1.00 O ATOM 430 CB LYS A 30 -14.202 -5.030 1.163 1.00 1.00 C ATOM 431 CG LYS A 30 -12.858 -5.620 0.767 1.00 1.00 C ATOM 432 CD LYS A 30 -11.820 -5.375 1.832 1.00 1.00 C ATOM 433 CE LYS A 30 -10.471 -5.966 1.447 1.00 1.00 C ATOM 434 NZ LYS A 30 -10.545 -7.434 1.249 1.00 1.00 N ATOM 0 H LYS A 30 -15.001 -7.139 -0.281 1.00 1.00 H new ATOM 0 HA LYS A 30 -16.130 -4.512 0.388 1.00 1.00 H new ATOM 0 HB2 LYS A 30 -14.056 -3.992 1.462 1.00 1.00 H new ATOM 0 HB3 LYS A 30 -14.577 -5.564 2.036 1.00 1.00 H new ATOM 0 HG2 LYS A 30 -12.964 -6.692 0.598 1.00 1.00 H new ATOM 0 HG3 LYS A 30 -12.528 -5.180 -0.174 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -11.714 -4.303 1.998 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -12.154 -5.812 2.773 1.00 1.00 H new ATOM 0 HE2 LYS A 30 -10.116 -5.494 0.531 1.00 1.00 H new ATOM 0 HE3 LYS A 30 -9.741 -5.741 2.225 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 -9.583 -7.828 1.207 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -11.061 -7.866 2.042 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 -11.042 -7.640 0.359 1.00 1.00 H new ATOM 448 N VAL A 31 -14.905 -3.161 -1.308 1.00 1.00 N ATOM 449 CA VAL A 31 -14.403 -2.339 -2.405 1.00 1.00 C ATOM 450 C VAL A 31 -13.956 -1.000 -1.856 1.00 1.00 C ATOM 451 O VAL A 31 -14.173 -0.705 -0.676 1.00 1.00 O ATOM 452 CB VAL A 31 -15.441 -2.100 -3.543 1.00 1.00 C ATOM 453 CG1 VAL A 31 -15.696 -3.362 -4.331 1.00 1.00 C ATOM 454 CG2 VAL A 31 -16.728 -1.551 -2.991 1.00 1.00 C ATOM 0 H VAL A 31 -15.431 -2.628 -0.616 1.00 1.00 H new ATOM 0 HA VAL A 31 -13.574 -2.889 -2.850 1.00 1.00 H new ATOM 0 HB VAL A 31 -15.017 -1.361 -4.223 1.00 1.00 H new ATOM 0 HG11 VAL A 31 -16.424 -3.160 -5.116 1.00 1.00 H new ATOM 0 HG12 VAL A 31 -14.764 -3.705 -4.780 1.00 1.00 H new ATOM 0 HG13 VAL A 31 -16.084 -4.134 -3.666 1.00 1.00 H new ATOM 0 HG21 VAL A 31 -17.435 -1.393 -3.805 1.00 1.00 H new ATOM 0 HG22 VAL A 31 -17.149 -2.259 -2.277 1.00 1.00 H new ATOM 0 HG23 VAL A 31 -16.534 -0.603 -2.490 1.00 1.00 H new ATOM 464 N LEU A 32 -13.320 -0.215 -2.674 1.00 1.00 N ATOM 465 CA LEU A 32 -12.911 1.106 -2.271 1.00 1.00 C ATOM 466 C LEU A 32 -13.989 2.113 -2.535 1.00 1.00 C ATOM 467 O LEU A 32 -14.842 1.917 -3.391 1.00 1.00 O ATOM 468 CB LEU A 32 -11.647 1.574 -2.973 1.00 1.00 C ATOM 469 CG LEU A 32 -10.319 1.047 -2.465 1.00 1.00 C ATOM 470 CD1 LEU A 32 -9.211 1.885 -3.057 1.00 1.00 C ATOM 471 CD2 LEU A 32 -10.265 1.079 -0.940 1.00 1.00 C ATOM 0 H LEU A 32 -13.070 -0.465 -3.631 1.00 1.00 H new ATOM 0 HA LEU A 32 -12.711 1.033 -1.202 1.00 1.00 H new ATOM 0 HB2 LEU A 32 -11.731 1.309 -4.027 1.00 1.00 H new ATOM 0 HB3 LEU A 32 -11.618 2.662 -2.920 1.00 1.00 H new ATOM 0 HG LEU A 32 -10.199 0.008 -2.771 1.00 1.00 H new ATOM 0 HD11 LEU A 32 -8.248 1.519 -2.701 1.00 1.00 H new ATOM 0 HD12 LEU A 32 -9.245 1.818 -4.144 1.00 1.00 H new ATOM 0 HD13 LEU A 32 -9.339 2.924 -2.753 1.00 1.00 H new ATOM 0 HD21 LEU A 32 -9.302 0.696 -0.602 1.00 1.00 H new ATOM 0 HD22 LEU A 32 -10.389 2.105 -0.593 1.00 1.00 H new ATOM 0 HD23 LEU A 32 -11.065 0.459 -0.535 1.00 1.00 H new ATOM 483 N ASP A 33 -13.897 3.230 -1.831 1.00 1.00 N ATOM 484 CA ASP A 33 -14.834 4.357 -1.983 1.00 1.00 C ATOM 485 C ASP A 33 -14.728 4.886 -3.411 1.00 1.00 C ATOM 486 O ASP A 33 -15.736 5.355 -4.023 1.00 1.00 O ATOM 487 CB ASP A 33 -14.438 5.451 -0.955 1.00 1.00 C ATOM 488 CG ASP A 33 -15.309 6.708 -0.911 1.00 1.00 C ATOM 489 OD1 ASP A 33 -16.500 6.628 -0.559 1.00 1.00 O ATOM 490 OD2 ASP A 33 -14.764 7.809 -1.163 1.00 1.00 O ATOM 0 H ASP A 33 -13.171 3.392 -1.133 1.00 1.00 H new ATOM 0 HA ASP A 33 -15.864 4.050 -1.801 1.00 1.00 H new ATOM 0 HB2 ASP A 33 -14.442 5.001 0.038 1.00 1.00 H new ATOM 0 HB3 ASP A 33 -13.412 5.756 -1.163 1.00 1.00 H new ATOM 495 N CYS A 34 -13.503 4.747 -3.965 1.00 1.00 N ATOM 496 CA CYS A 34 -13.151 5.225 -5.283 1.00 1.00 C ATOM 497 C CYS A 34 -13.251 4.146 -6.368 1.00 1.00 C ATOM 498 O CYS A 34 -12.850 4.392 -7.510 1.00 1.00 O ATOM 499 CB CYS A 34 -11.744 5.824 -5.275 1.00 1.00 C ATOM 500 SG CYS A 34 -11.497 7.190 -6.441 1.00 1.00 S ATOM 0 H CYS A 34 -12.730 4.288 -3.484 1.00 1.00 H new ATOM 0 HA CYS A 34 -13.882 5.994 -5.534 1.00 1.00 H new ATOM 0 HB2 CYS A 34 -11.520 6.178 -4.269 1.00 1.00 H new ATOM 0 HB3 CYS A 34 -11.027 5.036 -5.503 1.00 1.00 H new ATOM 0 HG CYS A 34 -10.275 7.623 -6.350 1.00 1.00 H new ATOM 506 N ASP A 35 -13.755 2.952 -6.034 1.00 1.00 N ATOM 507 CA ASP A 35 -13.968 1.965 -7.071 1.00 1.00 C ATOM 508 C ASP A 35 -15.107 2.443 -7.912 1.00 1.00 C ATOM 509 O ASP A 35 -16.130 2.917 -7.391 1.00 1.00 O ATOM 510 CB ASP A 35 -14.266 0.540 -6.531 1.00 1.00 C ATOM 511 CG ASP A 35 -13.037 -0.361 -6.385 1.00 1.00 C ATOM 512 OD1 ASP A 35 -12.462 -0.806 -7.426 1.00 1.00 O ATOM 513 OD2 ASP A 35 -12.645 -0.672 -5.242 1.00 1.00 O ATOM 0 H ASP A 35 -14.011 2.663 -5.090 1.00 1.00 H new ATOM 0 HA ASP A 35 -13.046 1.869 -7.644 1.00 1.00 H new ATOM 0 HB2 ASP A 35 -14.751 0.629 -5.559 1.00 1.00 H new ATOM 0 HB3 ASP A 35 -14.977 0.055 -7.199 1.00 1.00 H new ATOM 518 N THR A 36 -14.935 2.353 -9.182 1.00 1.00 N ATOM 519 CA THR A 36 -15.918 2.817 -10.108 1.00 1.00 C ATOM 520 C THR A 36 -16.996 1.771 -10.210 1.00 1.00 C ATOM 521 O THR A 36 -16.796 0.660 -9.758 1.00 1.00 O ATOM 522 CB THR A 36 -15.277 3.070 -11.502 1.00 1.00 C ATOM 523 OG1 THR A 36 -14.830 1.827 -12.070 1.00 1.00 O ATOM 524 CG2 THR A 36 -14.071 3.993 -11.364 1.00 1.00 C ATOM 0 H THR A 36 -14.103 1.953 -9.616 1.00 1.00 H new ATOM 0 HA THR A 36 -16.341 3.760 -9.761 1.00 1.00 H new ATOM 0 HB THR A 36 -16.027 3.529 -12.146 1.00 1.00 H new ATOM 0 HG1 THR A 36 -15.346 1.633 -12.880 1.00 1.00 H new ATOM 0 HG21 THR A 36 -13.629 4.164 -12.346 1.00 1.00 H new ATOM 0 HG22 THR A 36 -14.388 4.945 -10.938 1.00 1.00 H new ATOM 0 HG23 THR A 36 -13.332 3.531 -10.709 1.00 1.00 H new ATOM 532 N ILE A 37 -18.118 2.093 -10.796 1.00 1.00 N ATOM 533 CA ILE A 37 -19.179 1.113 -10.938 1.00 1.00 C ATOM 534 C ILE A 37 -18.729 -0.091 -11.716 1.00 1.00 C ATOM 535 O ILE A 37 -18.988 -1.225 -11.305 1.00 1.00 O ATOM 536 CB ILE A 37 -20.479 1.699 -11.514 1.00 1.00 C ATOM 537 CG1 ILE A 37 -20.920 2.860 -10.657 1.00 1.00 C ATOM 538 CG2 ILE A 37 -21.574 0.642 -11.588 1.00 1.00 C ATOM 539 CD1 ILE A 37 -21.151 2.509 -9.229 1.00 1.00 C ATOM 0 H ILE A 37 -18.327 3.014 -11.181 1.00 1.00 H new ATOM 0 HA ILE A 37 -19.415 0.788 -9.925 1.00 1.00 H new ATOM 0 HB ILE A 37 -20.291 2.046 -12.530 1.00 1.00 H new ATOM 0 HG12 ILE A 37 -20.164 3.644 -10.710 1.00 1.00 H new ATOM 0 HG13 ILE A 37 -21.839 3.275 -11.071 1.00 1.00 H new ATOM 0 HG21 ILE A 37 -22.481 1.086 -11.999 1.00 1.00 H new ATOM 0 HG22 ILE A 37 -21.247 -0.176 -12.230 1.00 1.00 H new ATOM 0 HG23 ILE A 37 -21.778 0.259 -10.588 1.00 1.00 H new ATOM 0 HD11 ILE A 37 -21.465 3.398 -8.682 1.00 1.00 H new ATOM 0 HD12 ILE A 37 -21.929 1.748 -9.163 1.00 1.00 H new ATOM 0 HD13 ILE A 37 -20.228 2.123 -8.795 1.00 1.00 H new ATOM 551 N SER A 38 -18.038 0.137 -12.801 1.00 1.00 N ATOM 552 CA SER A 38 -17.522 -0.944 -13.579 1.00 1.00 C ATOM 553 C SER A 38 -16.524 -1.788 -12.754 1.00 1.00 C ATOM 554 O SER A 38 -16.656 -3.009 -12.669 1.00 1.00 O ATOM 555 CB SER A 38 -16.853 -0.371 -14.821 1.00 1.00 C ATOM 556 OG SER A 38 -16.107 0.808 -14.488 1.00 1.00 O ATOM 0 H SER A 38 -17.822 1.066 -13.162 1.00 1.00 H new ATOM 0 HA SER A 38 -18.337 -1.605 -13.875 1.00 1.00 H new ATOM 0 HB2 SER A 38 -16.190 -1.116 -15.261 1.00 1.00 H new ATOM 0 HB3 SER A 38 -17.607 -0.132 -15.571 1.00 1.00 H new ATOM 0 HG SER A 38 -15.681 1.165 -15.295 1.00 1.00 H new ATOM 562 N GLN A 39 -15.597 -1.107 -12.076 1.00 1.00 N ATOM 563 CA GLN A 39 -14.537 -1.777 -11.321 1.00 1.00 C ATOM 564 C GLN A 39 -15.040 -2.443 -10.064 1.00 1.00 C ATOM 565 O GLN A 39 -14.566 -3.522 -9.697 1.00 1.00 O ATOM 566 CB GLN A 39 -13.380 -0.840 -11.003 1.00 1.00 C ATOM 567 CG GLN A 39 -12.518 -0.502 -12.207 1.00 1.00 C ATOM 568 CD GLN A 39 -11.404 0.456 -11.873 1.00 1.00 C ATOM 569 OE1 GLN A 39 -10.322 0.048 -11.452 1.00 1.00 O ATOM 570 NE2 GLN A 39 -11.650 1.728 -12.064 1.00 1.00 N ATOM 0 H GLN A 39 -15.560 -0.089 -12.035 1.00 1.00 H new ATOM 0 HA GLN A 39 -14.166 -2.565 -11.977 1.00 1.00 H new ATOM 0 HB2 GLN A 39 -13.777 0.083 -10.581 1.00 1.00 H new ATOM 0 HB3 GLN A 39 -12.754 -1.297 -10.236 1.00 1.00 H new ATOM 0 HG2 GLN A 39 -12.093 -1.420 -12.614 1.00 1.00 H new ATOM 0 HG3 GLN A 39 -13.144 -0.068 -12.987 1.00 1.00 H new ATOM 0 HE21 GLN A 39 -12.561 2.024 -12.415 1.00 1.00 H new ATOM 0 HE22 GLN A 39 -10.931 2.422 -11.862 1.00 1.00 H new ATOM 579 N ALA A 40 -15.971 -1.807 -9.390 1.00 1.00 N ATOM 580 CA ALA A 40 -16.535 -2.356 -8.178 1.00 1.00 C ATOM 581 C ALA A 40 -17.322 -3.571 -8.490 1.00 1.00 C ATOM 582 O ALA A 40 -17.236 -4.568 -7.783 1.00 1.00 O ATOM 583 CB ALA A 40 -17.383 -1.346 -7.416 1.00 1.00 C ATOM 0 H ALA A 40 -16.356 -0.903 -9.663 1.00 1.00 H new ATOM 0 HA ALA A 40 -15.704 -2.621 -7.524 1.00 1.00 H new ATOM 0 HB1 ALA A 40 -17.781 -1.812 -6.515 1.00 1.00 H new ATOM 0 HB2 ALA A 40 -16.768 -0.489 -7.140 1.00 1.00 H new ATOM 0 HB3 ALA A 40 -18.207 -1.013 -8.047 1.00 1.00 H new ATOM 589 N LYS A 41 -18.052 -3.525 -9.589 1.00 1.00 N ATOM 590 CA LYS A 41 -18.843 -4.642 -9.986 1.00 1.00 C ATOM 591 C LYS A 41 -17.936 -5.835 -10.267 1.00 1.00 C ATOM 592 O LYS A 41 -18.323 -6.989 -9.992 1.00 1.00 O ATOM 593 CB LYS A 41 -19.727 -4.318 -11.197 1.00 1.00 C ATOM 594 CG LYS A 41 -20.751 -5.411 -11.563 1.00 1.00 C ATOM 595 CD LYS A 41 -21.943 -5.454 -10.590 1.00 1.00 C ATOM 596 CE LYS A 41 -21.698 -6.360 -9.373 1.00 1.00 C ATOM 597 NZ LYS A 41 -21.029 -7.636 -9.747 1.00 1.00 N ATOM 0 H LYS A 41 -18.104 -2.720 -10.213 1.00 1.00 H new ATOM 0 HA LYS A 41 -19.518 -4.892 -9.168 1.00 1.00 H new ATOM 0 HB2 LYS A 41 -20.263 -3.390 -10.999 1.00 1.00 H new ATOM 0 HB3 LYS A 41 -19.085 -4.138 -12.059 1.00 1.00 H new ATOM 0 HG2 LYS A 41 -21.118 -5.236 -12.574 1.00 1.00 H new ATOM 0 HG3 LYS A 41 -20.255 -6.382 -11.568 1.00 1.00 H new ATOM 0 HD2 LYS A 41 -22.159 -4.443 -10.245 1.00 1.00 H new ATOM 0 HD3 LYS A 41 -22.827 -5.804 -11.123 1.00 1.00 H new ATOM 0 HE2 LYS A 41 -21.084 -5.830 -8.645 1.00 1.00 H new ATOM 0 HE3 LYS A 41 -22.649 -6.579 -8.888 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 -21.154 -8.331 -8.983 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 -21.451 -8.005 -10.623 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 -20.014 -7.465 -9.896 1.00 1.00 H new ATOM 611 N GLU A 42 -16.731 -5.549 -10.783 1.00 1.00 N ATOM 612 CA GLU A 42 -15.745 -6.576 -11.078 1.00 1.00 C ATOM 613 C GLU A 42 -15.284 -7.240 -9.800 1.00 1.00 C ATOM 614 O GLU A 42 -15.306 -8.450 -9.693 1.00 1.00 O ATOM 615 CB GLU A 42 -14.523 -5.976 -11.752 1.00 1.00 C ATOM 616 CG GLU A 42 -14.791 -5.319 -13.070 1.00 1.00 C ATOM 617 CD GLU A 42 -13.525 -4.801 -13.695 1.00 1.00 C ATOM 618 OE1 GLU A 42 -12.861 -5.554 -14.428 1.00 1.00 O ATOM 619 OE2 GLU A 42 -13.159 -3.638 -13.451 1.00 1.00 O ATOM 0 H GLU A 42 -16.423 -4.602 -11.003 1.00 1.00 H new ATOM 0 HA GLU A 42 -16.217 -7.302 -11.740 1.00 1.00 H new ATOM 0 HB2 GLU A 42 -14.079 -5.242 -11.080 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -13.783 -6.763 -11.898 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -15.265 -6.033 -13.744 1.00 1.00 H new ATOM 0 HG3 GLU A 42 -15.493 -4.497 -12.932 1.00 1.00 H new ATOM 626 N LYS A 43 -14.930 -6.416 -8.805 1.00 1.00 N ATOM 627 CA LYS A 43 -14.392 -6.910 -7.538 1.00 1.00 C ATOM 628 C LYS A 43 -15.422 -7.796 -6.877 1.00 1.00 C ATOM 629 O LYS A 43 -15.120 -8.874 -6.399 1.00 1.00 O ATOM 630 CB LYS A 43 -14.099 -5.749 -6.565 1.00 1.00 C ATOM 631 CG LYS A 43 -13.208 -4.626 -7.093 1.00 1.00 C ATOM 632 CD LYS A 43 -11.844 -5.109 -7.528 1.00 1.00 C ATOM 633 CE LYS A 43 -10.940 -3.936 -7.902 1.00 1.00 C ATOM 634 NZ LYS A 43 -11.599 -2.973 -8.830 1.00 1.00 N ATOM 0 H LYS A 43 -15.008 -5.400 -8.857 1.00 1.00 H new ATOM 0 HA LYS A 43 -13.470 -7.450 -7.754 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -15.050 -5.314 -6.257 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -13.633 -6.163 -5.671 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -13.702 -4.144 -7.936 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -13.089 -3.869 -6.318 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -11.385 -5.684 -6.724 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -11.947 -5.779 -8.381 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -10.639 -3.412 -6.995 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -10.031 -4.317 -8.367 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -10.873 -2.452 -9.362 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -12.209 -3.492 -9.493 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -12.175 -2.302 -8.283 1.00 1.00 H new ATOM 648 N MET A 44 -16.651 -7.322 -6.896 1.00 1.00 N ATOM 649 CA MET A 44 -17.760 -8.007 -6.281 1.00 1.00 C ATOM 650 C MET A 44 -18.060 -9.339 -6.953 1.00 1.00 C ATOM 651 O MET A 44 -18.324 -10.323 -6.291 1.00 1.00 O ATOM 652 CB MET A 44 -18.992 -7.123 -6.319 1.00 1.00 C ATOM 653 CG MET A 44 -18.793 -5.793 -5.623 1.00 1.00 C ATOM 654 SD MET A 44 -20.238 -5.266 -4.755 1.00 1.00 S ATOM 655 CE MET A 44 -20.249 -6.489 -3.460 1.00 1.00 C ATOM 0 H MET A 44 -16.906 -6.442 -7.344 1.00 1.00 H new ATOM 0 HA MET A 44 -17.483 -8.218 -5.248 1.00 1.00 H new ATOM 0 HB2 MET A 44 -19.271 -6.944 -7.357 1.00 1.00 H new ATOM 0 HB3 MET A 44 -19.824 -7.650 -5.851 1.00 1.00 H new ATOM 0 HG2 MET A 44 -17.961 -5.873 -4.923 1.00 1.00 H new ATOM 0 HG3 MET A 44 -18.519 -5.038 -6.360 1.00 1.00 H new ATOM 0 HE1 MET A 44 -21.277 -6.772 -3.235 1.00 1.00 H new ATOM 0 HE2 MET A 44 -19.694 -7.369 -3.786 1.00 1.00 H new ATOM 0 HE3 MET A 44 -19.782 -6.076 -2.566 1.00 1.00 H new ATOM 665 N LEU A 45 -18.017 -9.367 -8.280 1.00 1.00 N ATOM 666 CA LEU A 45 -18.312 -10.592 -8.999 1.00 1.00 C ATOM 667 C LEU A 45 -17.154 -11.579 -8.932 1.00 1.00 C ATOM 668 O LEU A 45 -17.356 -12.773 -8.859 1.00 1.00 O ATOM 669 CB LEU A 45 -18.796 -10.328 -10.468 1.00 1.00 C ATOM 670 CG LEU A 45 -17.826 -9.656 -11.463 1.00 1.00 C ATOM 671 CD1 LEU A 45 -16.871 -10.668 -12.084 1.00 1.00 C ATOM 672 CD2 LEU A 45 -18.607 -8.938 -12.558 1.00 1.00 C ATOM 0 H LEU A 45 -17.784 -8.567 -8.869 1.00 1.00 H new ATOM 0 HA LEU A 45 -19.154 -11.061 -8.489 1.00 1.00 H new ATOM 0 HB2 LEU A 45 -19.094 -11.286 -10.894 1.00 1.00 H new ATOM 0 HB3 LEU A 45 -19.693 -9.711 -10.414 1.00 1.00 H new ATOM 0 HG LEU A 45 -17.232 -8.930 -10.907 1.00 1.00 H new ATOM 0 HD11 LEU A 45 -16.203 -10.159 -12.779 1.00 1.00 H new ATOM 0 HD12 LEU A 45 -16.284 -11.143 -11.299 1.00 1.00 H new ATOM 0 HD13 LEU A 45 -17.442 -11.426 -12.619 1.00 1.00 H new ATOM 0 HD21 LEU A 45 -17.911 -8.468 -13.253 1.00 1.00 H new ATOM 0 HD22 LEU A 45 -19.226 -9.657 -13.095 1.00 1.00 H new ATOM 0 HD23 LEU A 45 -19.243 -8.175 -12.110 1.00 1.00 H new ATOM 684 N ASP A 46 -15.957 -11.053 -8.895 1.00 1.00 N ATOM 685 CA ASP A 46 -14.724 -11.844 -8.938 1.00 1.00 C ATOM 686 C ASP A 46 -14.613 -12.794 -7.754 1.00 1.00 C ATOM 687 O ASP A 46 -14.033 -13.867 -7.867 1.00 1.00 O ATOM 688 CB ASP A 46 -13.503 -10.915 -8.995 1.00 1.00 C ATOM 689 CG ASP A 46 -12.189 -11.652 -9.091 1.00 1.00 C ATOM 690 OD1 ASP A 46 -11.979 -12.389 -10.081 1.00 1.00 O ATOM 691 OD2 ASP A 46 -11.332 -11.482 -8.188 1.00 1.00 O ATOM 0 H ASP A 46 -15.794 -10.048 -8.833 1.00 1.00 H new ATOM 0 HA ASP A 46 -14.756 -12.454 -9.841 1.00 1.00 H new ATOM 0 HB2 ASP A 46 -13.602 -10.251 -9.854 1.00 1.00 H new ATOM 0 HB3 ASP A 46 -13.493 -10.286 -8.105 1.00 1.00 H new ATOM 696 N GLN A 47 -15.197 -12.402 -6.631 1.00 1.00 N ATOM 697 CA GLN A 47 -15.115 -13.180 -5.411 1.00 1.00 C ATOM 698 C GLN A 47 -15.870 -14.481 -5.558 1.00 1.00 C ATOM 699 O GLN A 47 -15.412 -15.526 -5.121 1.00 1.00 O ATOM 700 CB GLN A 47 -15.737 -12.407 -4.238 1.00 1.00 C ATOM 701 CG GLN A 47 -15.236 -10.986 -4.045 1.00 1.00 C ATOM 702 CD GLN A 47 -13.776 -10.864 -3.659 1.00 1.00 C ATOM 703 OE1 GLN A 47 -12.946 -11.707 -3.989 1.00 1.00 O ATOM 704 NE2 GLN A 47 -13.456 -9.796 -2.955 1.00 1.00 N ATOM 0 H GLN A 47 -15.737 -11.541 -6.543 1.00 1.00 H new ATOM 0 HA GLN A 47 -14.060 -13.377 -5.218 1.00 1.00 H new ATOM 0 HB2 GLN A 47 -16.817 -12.375 -4.380 1.00 1.00 H new ATOM 0 HB3 GLN A 47 -15.552 -12.965 -3.320 1.00 1.00 H new ATOM 0 HG2 GLN A 47 -15.398 -10.432 -4.969 1.00 1.00 H new ATOM 0 HG3 GLN A 47 -15.840 -10.506 -3.275 1.00 1.00 H new ATOM 0 HE21 GLN A 47 -14.175 -9.119 -2.701 1.00 1.00 H new ATOM 0 HE22 GLN A 47 -12.490 -9.647 -2.665 1.00 1.00 H new ATOM 713 N LEU A 48 -17.006 -14.409 -6.221 1.00 1.00 N ATOM 714 CA LEU A 48 -17.925 -15.519 -6.248 1.00 1.00 C ATOM 715 C LEU A 48 -17.989 -16.184 -7.606 1.00 1.00 C ATOM 716 O LEU A 48 -18.425 -17.321 -7.732 1.00 1.00 O ATOM 717 CB LEU A 48 -19.292 -15.043 -5.776 1.00 1.00 C ATOM 718 CG LEU A 48 -20.004 -14.028 -6.661 1.00 1.00 C ATOM 719 CD1 LEU A 48 -21.267 -14.625 -7.248 1.00 1.00 C ATOM 720 CD2 LEU A 48 -20.328 -12.776 -5.867 1.00 1.00 C ATOM 0 H LEU A 48 -17.312 -13.591 -6.748 1.00 1.00 H new ATOM 0 HA LEU A 48 -17.563 -16.289 -5.567 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -19.938 -15.914 -5.669 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -19.177 -14.608 -4.783 1.00 1.00 H new ATOM 0 HG LEU A 48 -19.340 -13.758 -7.482 1.00 1.00 H new ATOM 0 HD11 LEU A 48 -21.761 -13.885 -7.877 1.00 1.00 H new ATOM 0 HD12 LEU A 48 -21.012 -15.499 -7.848 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -21.938 -14.922 -6.442 1.00 1.00 H new ATOM 0 HD21 LEU A 48 -20.837 -12.058 -6.511 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -20.975 -13.034 -5.029 1.00 1.00 H new ATOM 0 HD23 LEU A 48 -19.405 -12.335 -5.490 1.00 1.00 H new ATOM 964 N LEU A 63 -24.769 -4.630 -18.157 1.00 1.00 N ATOM 965 CA LEU A 63 -25.741 -4.867 -17.124 1.00 1.00 C ATOM 966 C LEU A 63 -25.871 -3.663 -16.230 1.00 1.00 C ATOM 967 O LEU A 63 -24.998 -2.796 -16.217 1.00 1.00 O ATOM 968 CB LEU A 63 -25.466 -6.180 -16.331 1.00 1.00 C ATOM 969 CG LEU A 63 -24.224 -6.250 -15.423 1.00 1.00 C ATOM 970 CD1 LEU A 63 -24.451 -5.535 -14.099 1.00 1.00 C ATOM 971 CD2 LEU A 63 -23.857 -7.695 -15.166 1.00 1.00 C ATOM 0 HA LEU A 63 -26.705 -5.021 -17.608 1.00 1.00 H new ATOM 0 HB2 LEU A 63 -26.340 -6.381 -15.711 1.00 1.00 H new ATOM 0 HB3 LEU A 63 -25.394 -6.993 -17.053 1.00 1.00 H new ATOM 0 HG LEU A 63 -23.407 -5.746 -15.939 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -23.552 -5.607 -13.488 1.00 1.00 H new ATOM 0 HD12 LEU A 63 -24.679 -4.486 -14.287 1.00 1.00 H new ATOM 0 HD13 LEU A 63 -25.285 -5.999 -13.573 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -22.978 -7.738 -14.523 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -24.690 -8.200 -14.677 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -23.639 -8.189 -16.113 1.00 1.00 H new ATOM 983 N ASP A 64 -26.949 -3.605 -15.506 1.00 1.00 N ATOM 984 CA ASP A 64 -27.210 -2.512 -14.611 1.00 1.00 C ATOM 985 C ASP A 64 -27.063 -3.017 -13.214 1.00 1.00 C ATOM 986 O ASP A 64 -27.277 -4.216 -12.953 1.00 1.00 O ATOM 987 CB ASP A 64 -28.644 -2.001 -14.776 1.00 1.00 C ATOM 988 CG ASP A 64 -28.988 -1.542 -16.166 1.00 1.00 C ATOM 989 OD1 ASP A 64 -29.455 -2.372 -16.964 1.00 1.00 O ATOM 990 OD2 ASP A 64 -28.814 -0.353 -16.477 1.00 1.00 O ATOM 0 H ASP A 64 -27.678 -4.318 -15.518 1.00 1.00 H new ATOM 0 HA ASP A 64 -26.515 -1.701 -14.828 1.00 1.00 H new ATOM 0 HB2 ASP A 64 -29.334 -2.794 -14.488 1.00 1.00 H new ATOM 0 HB3 ASP A 64 -28.803 -1.174 -14.084 1.00 1.00 H new ATOM 995 N VAL A 65 -26.703 -2.169 -12.321 1.00 1.00 N ATOM 996 CA VAL A 65 -26.630 -2.567 -10.955 1.00 1.00 C ATOM 997 C VAL A 65 -27.608 -1.748 -10.137 1.00 1.00 C ATOM 998 O VAL A 65 -27.631 -0.510 -10.230 1.00 1.00 O ATOM 999 CB VAL A 65 -25.162 -2.471 -10.369 1.00 1.00 C ATOM 1000 CG1 VAL A 65 -24.618 -1.056 -10.399 1.00 1.00 C ATOM 1001 CG2 VAL A 65 -25.078 -3.036 -8.954 1.00 1.00 C ATOM 0 H VAL A 65 -26.454 -1.197 -12.506 1.00 1.00 H new ATOM 0 HA VAL A 65 -26.906 -3.620 -10.896 1.00 1.00 H new ATOM 0 HB VAL A 65 -24.538 -3.081 -11.022 1.00 1.00 H new ATOM 0 HG11 VAL A 65 -23.609 -1.045 -9.986 1.00 1.00 H new ATOM 0 HG12 VAL A 65 -24.593 -0.698 -11.428 1.00 1.00 H new ATOM 0 HG13 VAL A 65 -25.260 -0.407 -9.804 1.00 1.00 H new ATOM 0 HG21 VAL A 65 -24.055 -2.951 -8.589 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -25.745 -2.476 -8.298 1.00 1.00 H new ATOM 0 HG23 VAL A 65 -25.374 -4.085 -8.963 1.00 1.00 H new ATOM 1011 N GLU A 66 -28.435 -2.405 -9.363 1.00 1.00 N ATOM 1012 CA GLU A 66 -29.292 -1.686 -8.501 1.00 1.00 C ATOM 1013 C GLU A 66 -28.551 -1.524 -7.257 1.00 1.00 C ATOM 1014 O GLU A 66 -28.270 -2.512 -6.551 1.00 1.00 O ATOM 1015 CB GLU A 66 -30.581 -2.410 -8.138 1.00 1.00 C ATOM 1016 CG GLU A 66 -31.542 -2.738 -9.233 1.00 1.00 C ATOM 1017 CD GLU A 66 -32.838 -3.233 -8.634 1.00 1.00 C ATOM 1018 OE1 GLU A 66 -32.950 -4.425 -8.323 1.00 1.00 O ATOM 1019 OE2 GLU A 66 -33.753 -2.403 -8.408 1.00 1.00 O ATOM 0 H GLU A 66 -28.521 -3.421 -9.323 1.00 1.00 H new ATOM 0 HA GLU A 66 -29.575 -0.764 -9.009 1.00 1.00 H new ATOM 0 HB2 GLU A 66 -30.310 -3.343 -7.643 1.00 1.00 H new ATOM 0 HB3 GLU A 66 -31.109 -1.801 -7.404 1.00 1.00 H new ATOM 0 HG2 GLU A 66 -31.726 -1.856 -9.846 1.00 1.00 H new ATOM 0 HG3 GLU A 66 -31.118 -3.499 -9.888 1.00 1.00 H new ATOM 1026 N TRP A 67 -28.206 -0.352 -6.968 1.00 1.00 N ATOM 1027 CA TRP A 67 -27.552 -0.119 -5.791 1.00 1.00 C ATOM 1028 C TRP A 67 -28.555 0.194 -4.751 1.00 1.00 C ATOM 1029 O TRP A 67 -29.274 1.191 -4.838 1.00 1.00 O ATOM 1030 CB TRP A 67 -26.547 0.975 -5.911 1.00 1.00 C ATOM 1031 CG TRP A 67 -25.577 0.916 -4.795 1.00 1.00 C ATOM 1032 CD1 TRP A 67 -25.866 1.061 -3.479 1.00 1.00 C ATOM 1033 CD2 TRP A 67 -24.178 0.680 -4.885 1.00 1.00 C ATOM 1034 NE1 TRP A 67 -24.774 0.914 -2.730 1.00 1.00 N ATOM 1035 CE2 TRP A 67 -23.680 0.688 -3.581 1.00 1.00 C ATOM 1036 CE3 TRP A 67 -23.297 0.446 -5.951 1.00 1.00 C ATOM 1037 CZ2 TRP A 67 -22.322 0.494 -3.311 1.00 1.00 C ATOM 1038 CZ3 TRP A 67 -21.961 0.261 -5.681 1.00 1.00 C ATOM 1039 CH2 TRP A 67 -21.486 0.275 -4.374 1.00 1.00 C ATOM 0 H TRP A 67 -28.373 0.470 -7.548 1.00 1.00 H new ATOM 0 HA TRP A 67 -26.995 -1.014 -5.516 1.00 1.00 H new ATOM 0 HB2 TRP A 67 -26.021 0.890 -6.862 1.00 1.00 H new ATOM 0 HB3 TRP A 67 -27.051 1.941 -5.911 1.00 1.00 H new ATOM 0 HD1 TRP A 67 -26.851 1.268 -3.089 1.00 1.00 H new ATOM 0 HE1 TRP A 67 -24.739 0.958 -1.712 1.00 1.00 H new ATOM 0 HE3 TRP A 67 -23.662 0.412 -6.967 1.00 1.00 H new ATOM 0 HZ2 TRP A 67 -21.945 0.516 -2.299 1.00 1.00 H new ATOM 0 HZ3 TRP A 67 -21.271 0.102 -6.496 1.00 1.00 H new ATOM 0 HH2 TRP A 67 -20.434 0.109 -4.193 1.00 1.00 H new ATOM 1050 N ARG A 68 -28.604 -0.632 -3.776 1.00 1.00 N ATOM 1051 CA ARG A 68 -29.509 -0.491 -2.725 1.00 1.00 C ATOM 1052 C ARG A 68 -28.721 0.062 -1.573 1.00 1.00 C ATOM 1053 O ARG A 68 -28.165 -0.658 -0.753 1.00 1.00 O ATOM 1054 CB ARG A 68 -30.137 -1.866 -2.432 1.00 1.00 C ATOM 1055 CG ARG A 68 -30.814 -2.454 -3.673 1.00 1.00 C ATOM 1056 CD ARG A 68 -31.380 -3.848 -3.468 1.00 1.00 C ATOM 1057 NE ARG A 68 -31.976 -4.356 -4.729 1.00 1.00 N ATOM 1058 CZ ARG A 68 -32.827 -5.387 -4.829 1.00 1.00 C ATOM 1059 NH1 ARG A 68 -33.124 -6.116 -3.763 1.00 1.00 N ATOM 1060 NH2 ARG A 68 -33.355 -5.699 -6.011 1.00 1.00 N ATOM 0 H ARG A 68 -27.994 -1.445 -3.694 1.00 1.00 H new ATOM 0 HA ARG A 68 -30.336 0.184 -2.945 1.00 1.00 H new ATOM 0 HB2 ARG A 68 -29.366 -2.551 -2.079 1.00 1.00 H new ATOM 0 HB3 ARG A 68 -30.868 -1.769 -1.630 1.00 1.00 H new ATOM 0 HG2 ARG A 68 -31.619 -1.789 -3.984 1.00 1.00 H new ATOM 0 HG3 ARG A 68 -30.091 -2.483 -4.489 1.00 1.00 H new ATOM 0 HD2 ARG A 68 -30.591 -4.522 -3.134 1.00 1.00 H new ATOM 0 HD3 ARG A 68 -32.136 -3.828 -2.683 1.00 1.00 H new ATOM 0 HE ARG A 68 -31.716 -3.880 -5.593 1.00 1.00 H new ATOM 0 HH11 ARG A 68 -32.704 -5.894 -2.860 1.00 1.00 H new ATOM 0 HH12 ARG A 68 -33.772 -6.899 -3.845 1.00 1.00 H new ATOM 0 HH21 ARG A 68 -33.112 -5.154 -6.838 1.00 1.00 H new ATOM 0 HH22 ARG A 68 -34.003 -6.483 -6.089 1.00 1.00 H new ATOM 1074 N SER A 69 -28.663 1.354 -1.552 1.00 1.00 N ATOM 1075 CA SER A 69 -27.886 2.091 -0.588 1.00 1.00 C ATOM 1076 C SER A 69 -28.662 2.260 0.690 1.00 1.00 C ATOM 1077 O SER A 69 -28.115 2.628 1.723 1.00 1.00 O ATOM 1078 CB SER A 69 -27.527 3.462 -1.178 1.00 1.00 C ATOM 1079 OG SER A 69 -28.707 4.168 -1.580 1.00 1.00 O ATOM 0 H SER A 69 -29.162 1.946 -2.215 1.00 1.00 H new ATOM 0 HA SER A 69 -26.972 1.541 -0.361 1.00 1.00 H new ATOM 0 HB2 SER A 69 -26.981 4.049 -0.440 1.00 1.00 H new ATOM 0 HB3 SER A 69 -26.866 3.332 -2.035 1.00 1.00 H new ATOM 0 HG SER A 69 -28.741 4.218 -2.558 1.00 1.00 H new ATOM 1085 N GLY A 70 -29.934 1.998 0.603 1.00 1.00 N ATOM 1086 CA GLY A 70 -30.825 2.169 1.731 1.00 1.00 C ATOM 1087 C GLY A 70 -31.179 3.630 1.953 1.00 1.00 C ATOM 1088 O GLY A 70 -32.341 4.007 1.906 1.00 1.00 O ATOM 0 H GLY A 70 -30.389 1.661 -0.245 1.00 1.00 H new ATOM 0 HA2 GLY A 70 -31.737 1.595 1.565 1.00 1.00 H new ATOM 0 HA3 GLY A 70 -30.356 1.768 2.629 1.00 1.00 H new ATOM 1092 N VAL A 71 -30.156 4.449 2.153 1.00 1.00 N ATOM 1093 CA VAL A 71 -30.311 5.879 2.395 1.00 1.00 C ATOM 1094 C VAL A 71 -30.965 6.593 1.198 1.00 1.00 C ATOM 1095 O VAL A 71 -31.864 7.430 1.369 1.00 1.00 O ATOM 1096 CB VAL A 71 -28.939 6.550 2.759 1.00 1.00 C ATOM 1097 CG1 VAL A 71 -27.884 6.336 1.679 1.00 1.00 C ATOM 1098 CG2 VAL A 71 -29.109 8.031 3.062 1.00 1.00 C ATOM 0 H VAL A 71 -29.185 4.138 2.152 1.00 1.00 H new ATOM 0 HA VAL A 71 -30.978 5.986 3.250 1.00 1.00 H new ATOM 0 HB VAL A 71 -28.581 6.055 3.662 1.00 1.00 H new ATOM 0 HG11 VAL A 71 -26.954 6.819 1.978 1.00 1.00 H new ATOM 0 HG12 VAL A 71 -27.712 5.268 1.545 1.00 1.00 H new ATOM 0 HG13 VAL A 71 -28.231 6.768 0.740 1.00 1.00 H new ATOM 0 HG21 VAL A 71 -28.140 8.465 3.310 1.00 1.00 H new ATOM 0 HG22 VAL A 71 -29.520 8.536 2.188 1.00 1.00 H new ATOM 0 HG23 VAL A 71 -29.789 8.154 3.905 1.00 1.00 H new ATOM 1108 N ALA A 72 -30.526 6.259 0.003 1.00 1.00 N ATOM 1109 CA ALA A 72 -31.071 6.857 -1.196 1.00 1.00 C ATOM 1110 C ALA A 72 -32.033 5.901 -1.871 1.00 1.00 C ATOM 1111 O ALA A 72 -32.735 6.261 -2.813 1.00 1.00 O ATOM 1112 CB ALA A 72 -29.954 7.245 -2.134 1.00 1.00 C ATOM 0 H ALA A 72 -29.790 5.573 -0.164 1.00 1.00 H new ATOM 0 HA ALA A 72 -31.622 7.757 -0.924 1.00 1.00 H new ATOM 0 HB1 ALA A 72 -30.374 7.694 -3.034 1.00 1.00 H new ATOM 0 HB2 ALA A 72 -29.299 7.963 -1.642 1.00 1.00 H new ATOM 0 HB3 ALA A 72 -29.382 6.358 -2.405 1.00 1.00 H new ATOM 1118 N GLY A 73 -32.063 4.684 -1.372 1.00 1.00 N ATOM 1119 CA GLY A 73 -32.902 3.672 -1.918 1.00 1.00 C ATOM 1120 C GLY A 73 -32.159 2.861 -2.933 1.00 1.00 C ATOM 1121 O GLY A 73 -30.929 2.702 -2.837 1.00 1.00 O ATOM 0 H GLY A 73 -31.501 4.381 -0.576 1.00 1.00 H new ATOM 0 HA2 GLY A 73 -33.264 3.023 -1.121 1.00 1.00 H new ATOM 0 HA3 GLY A 73 -33.778 4.128 -2.380 1.00 1.00 H new ATOM 1125 N HIS A 74 -32.867 2.372 -3.896 1.00 1.00 N ATOM 1126 CA HIS A 74 -32.268 1.570 -4.950 1.00 1.00 C ATOM 1127 C HIS A 74 -32.170 2.350 -6.248 1.00 1.00 C ATOM 1128 O HIS A 74 -33.170 2.626 -6.909 1.00 1.00 O ATOM 1129 CB HIS A 74 -32.943 0.170 -5.132 1.00 1.00 C ATOM 1130 CG HIS A 74 -34.363 0.155 -5.658 1.00 1.00 C ATOM 1131 ND1 HIS A 74 -34.769 -0.612 -6.738 1.00 1.00 N ATOM 1132 CD2 HIS A 74 -35.473 0.793 -5.229 1.00 1.00 C ATOM 1133 CE1 HIS A 74 -36.054 -0.443 -6.933 1.00 1.00 C ATOM 1134 NE2 HIS A 74 -36.505 0.401 -6.037 1.00 1.00 N ATOM 0 H HIS A 74 -33.874 2.507 -3.989 1.00 1.00 H new ATOM 0 HA HIS A 74 -31.251 1.347 -4.628 1.00 1.00 H new ATOM 0 HB2 HIS A 74 -32.325 -0.419 -5.809 1.00 1.00 H new ATOM 0 HB3 HIS A 74 -32.933 -0.339 -4.168 1.00 1.00 H new ATOM 0 HD1 HIS A 74 -34.162 -1.214 -7.295 1.00 1.00 H new ATOM 0 HD2 HIS A 74 -35.535 1.484 -4.402 1.00 1.00 H new ATOM 0 HE1 HIS A 74 -36.643 -0.919 -7.703 1.00 1.00 H new ATOM 1143 N LEU A 75 -30.965 2.696 -6.591 1.00 1.00 N ATOM 1144 CA LEU A 75 -30.666 3.476 -7.777 1.00 1.00 C ATOM 1145 C LEU A 75 -29.950 2.614 -8.771 1.00 1.00 C ATOM 1146 O LEU A 75 -29.185 1.730 -8.385 1.00 1.00 O ATOM 1147 CB LEU A 75 -29.765 4.675 -7.433 1.00 1.00 C ATOM 1148 CG LEU A 75 -30.369 5.829 -6.618 1.00 1.00 C ATOM 1149 CD1 LEU A 75 -31.743 6.218 -7.130 1.00 1.00 C ATOM 1150 CD2 LEU A 75 -30.409 5.492 -5.143 1.00 1.00 C ATOM 0 H LEU A 75 -30.138 2.444 -6.049 1.00 1.00 H new ATOM 0 HA LEU A 75 -31.606 3.842 -8.191 1.00 1.00 H new ATOM 0 HB2 LEU A 75 -28.902 4.296 -6.885 1.00 1.00 H new ATOM 0 HB3 LEU A 75 -29.391 5.089 -8.369 1.00 1.00 H new ATOM 0 HG LEU A 75 -29.719 6.694 -6.747 1.00 1.00 H new ATOM 0 HD11 LEU A 75 -32.137 7.037 -6.528 1.00 1.00 H new ATOM 0 HD12 LEU A 75 -31.667 6.536 -8.170 1.00 1.00 H new ATOM 0 HD13 LEU A 75 -32.413 5.361 -7.060 1.00 1.00 H new ATOM 0 HD21 LEU A 75 -30.841 6.327 -4.591 1.00 1.00 H new ATOM 0 HD22 LEU A 75 -31.018 4.601 -4.990 1.00 1.00 H new ATOM 0 HD23 LEU A 75 -29.397 5.305 -4.785 1.00 1.00 H new ATOM 1162 N ILE A 76 -30.181 2.847 -10.028 1.00 1.00 N ATOM 1163 CA ILE A 76 -29.520 2.078 -11.044 1.00 1.00 C ATOM 1164 C ILE A 76 -28.198 2.726 -11.382 1.00 1.00 C ATOM 1165 O ILE A 76 -28.139 3.686 -12.145 1.00 1.00 O ATOM 1166 CB ILE A 76 -30.370 1.950 -12.321 1.00 1.00 C ATOM 1167 CG1 ILE A 76 -31.788 1.482 -11.973 1.00 1.00 C ATOM 1168 CG2 ILE A 76 -29.708 0.982 -13.272 1.00 1.00 C ATOM 1169 CD1 ILE A 76 -31.831 0.243 -11.103 1.00 1.00 C ATOM 0 H ILE A 76 -30.820 3.561 -10.376 1.00 1.00 H new ATOM 0 HA ILE A 76 -29.363 1.074 -10.650 1.00 1.00 H new ATOM 0 HB ILE A 76 -30.444 2.925 -12.803 1.00 1.00 H new ATOM 0 HG12 ILE A 76 -32.311 2.290 -11.462 1.00 1.00 H new ATOM 0 HG13 ILE A 76 -32.331 1.284 -12.897 1.00 1.00 H new ATOM 0 HG21 ILE A 76 -30.310 0.891 -14.176 1.00 1.00 H new ATOM 0 HG22 ILE A 76 -28.715 1.349 -13.532 1.00 1.00 H new ATOM 0 HG23 ILE A 76 -29.620 0.006 -12.795 1.00 1.00 H new ATOM 0 HD11 ILE A 76 -32.868 -0.024 -10.901 1.00 1.00 H new ATOM 0 HD12 ILE A 76 -31.338 -0.581 -11.619 1.00 1.00 H new ATOM 0 HD13 ILE A 76 -31.318 0.441 -10.162 1.00 1.00 H new ATOM 1181 N LEU A 77 -27.158 2.203 -10.822 1.00 1.00 N ATOM 1182 CA LEU A 77 -25.833 2.752 -11.005 1.00 1.00 C ATOM 1183 C LEU A 77 -25.166 2.135 -12.206 1.00 1.00 C ATOM 1184 O LEU A 77 -25.525 1.039 -12.639 1.00 1.00 O ATOM 1185 CB LEU A 77 -24.953 2.600 -9.739 1.00 1.00 C ATOM 1186 CG LEU A 77 -25.034 3.722 -8.663 1.00 1.00 C ATOM 1187 CD1 LEU A 77 -26.456 3.980 -8.243 1.00 1.00 C ATOM 1188 CD2 LEU A 77 -24.239 3.302 -7.460 1.00 1.00 C ATOM 0 H LEU A 77 -27.191 1.380 -10.220 1.00 1.00 H new ATOM 0 HA LEU A 77 -25.947 3.822 -11.181 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -25.214 1.656 -9.260 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -23.915 2.518 -10.060 1.00 1.00 H new ATOM 0 HG LEU A 77 -24.632 4.639 -9.093 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -26.476 4.769 -7.491 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -27.041 4.290 -9.109 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -26.883 3.069 -7.824 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -24.290 4.082 -6.700 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -24.650 2.376 -7.058 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -23.200 3.143 -7.748 1.00 1.00 H new ATOM 1200 N SER A 78 -24.234 2.841 -12.740 1.00 1.00 N ATOM 1201 CA SER A 78 -23.493 2.421 -13.880 1.00 1.00 C ATOM 1202 C SER A 78 -22.269 3.226 -13.899 1.00 1.00 C ATOM 1203 O SER A 78 -22.200 4.249 -13.216 1.00 1.00 O ATOM 1204 CB SER A 78 -24.246 2.689 -15.160 1.00 1.00 C ATOM 1205 OG SER A 78 -23.747 1.908 -16.225 1.00 1.00 O ATOM 0 H SER A 78 -23.956 3.756 -12.386 1.00 1.00 H new ATOM 0 HA SER A 78 -23.300 1.350 -13.817 1.00 1.00 H new ATOM 0 HB2 SER A 78 -25.304 2.473 -15.013 1.00 1.00 H new ATOM 0 HB3 SER A 78 -24.169 3.746 -15.415 1.00 1.00 H new ATOM 0 HG SER A 78 -24.256 2.103 -17.040 1.00 1.00 H new ATOM 1211 N ASP A 79 -21.316 2.807 -14.657 1.00 1.00 N ATOM 1212 CA ASP A 79 -20.095 3.531 -14.786 1.00 1.00 C ATOM 1213 C ASP A 79 -20.357 4.884 -15.408 1.00 1.00 C ATOM 1214 O ASP A 79 -19.783 5.882 -14.975 1.00 1.00 O ATOM 1215 CB ASP A 79 -19.049 2.739 -15.588 1.00 1.00 C ATOM 1216 CG ASP A 79 -19.370 2.525 -17.077 1.00 1.00 C ATOM 1217 OD1 ASP A 79 -20.562 2.364 -17.445 1.00 1.00 O ATOM 1218 OD2 ASP A 79 -18.420 2.495 -17.886 1.00 1.00 O ATOM 0 H ASP A 79 -21.360 1.950 -15.208 1.00 1.00 H new ATOM 0 HA ASP A 79 -19.681 3.683 -13.789 1.00 1.00 H new ATOM 0 HB2 ASP A 79 -18.093 3.256 -15.512 1.00 1.00 H new ATOM 0 HB3 ASP A 79 -18.922 1.763 -15.119 1.00 1.00 H new ATOM 1223 N GLU A 80 -21.281 4.935 -16.354 1.00 1.00 N ATOM 1224 CA GLU A 80 -21.588 6.169 -17.040 1.00 1.00 C ATOM 1225 C GLU A 80 -22.925 6.066 -17.772 1.00 1.00 C ATOM 1226 O GLU A 80 -22.972 5.676 -18.925 1.00 1.00 O ATOM 1227 CB GLU A 80 -20.445 6.525 -18.009 1.00 1.00 C ATOM 1228 CG GLU A 80 -20.296 8.002 -18.308 1.00 1.00 C ATOM 1229 CD GLU A 80 -21.320 8.500 -19.282 1.00 1.00 C ATOM 1230 OE1 GLU A 80 -21.267 8.112 -20.472 1.00 1.00 O ATOM 1231 OE2 GLU A 80 -22.184 9.287 -18.895 1.00 1.00 O ATOM 0 H GLU A 80 -21.830 4.132 -16.661 1.00 1.00 H new ATOM 0 HA GLU A 80 -21.680 6.969 -16.306 1.00 1.00 H new ATOM 0 HB2 GLU A 80 -19.507 6.158 -17.592 1.00 1.00 H new ATOM 0 HB3 GLU A 80 -20.606 5.994 -18.947 1.00 1.00 H new ATOM 0 HG2 GLU A 80 -20.379 8.567 -17.379 1.00 1.00 H new ATOM 0 HG3 GLU A 80 -19.299 8.189 -18.707 1.00 1.00 H new ATOM 1433 N LEU A 93 -18.543 10.030 -13.810 1.00 1.00 N ATOM 1434 CA LEU A 93 -18.224 8.634 -13.660 1.00 1.00 C ATOM 1435 C LEU A 93 -18.739 8.215 -12.265 1.00 1.00 C ATOM 1436 O LEU A 93 -18.568 8.977 -11.308 1.00 1.00 O ATOM 1437 CB LEU A 93 -16.676 8.544 -13.737 1.00 1.00 C ATOM 1438 CG LEU A 93 -16.004 7.181 -13.647 1.00 1.00 C ATOM 1439 CD1 LEU A 93 -15.862 6.760 -12.212 1.00 1.00 C ATOM 1440 CD2 LEU A 93 -16.741 6.143 -14.459 1.00 1.00 C ATOM 0 HA LEU A 93 -18.670 7.988 -14.416 1.00 1.00 H new ATOM 0 HB2 LEU A 93 -16.368 9.000 -14.678 1.00 1.00 H new ATOM 0 HB3 LEU A 93 -16.272 9.162 -12.936 1.00 1.00 H new ATOM 0 HG LEU A 93 -15.006 7.268 -14.076 1.00 1.00 H new ATOM 0 HD11 LEU A 93 -15.380 5.784 -12.165 1.00 1.00 H new ATOM 0 HD12 LEU A 93 -15.255 7.490 -11.677 1.00 1.00 H new ATOM 0 HD13 LEU A 93 -16.848 6.700 -11.751 1.00 1.00 H new ATOM 0 HD21 LEU A 93 -16.232 5.183 -14.370 1.00 1.00 H new ATOM 0 HD22 LEU A 93 -17.762 6.048 -14.088 1.00 1.00 H new ATOM 0 HD23 LEU A 93 -16.762 6.447 -15.505 1.00 1.00 H new ATOM 1452 N ASN A 94 -19.359 7.035 -12.119 1.00 1.00 N ATOM 1453 CA ASN A 94 -19.935 6.711 -10.821 1.00 1.00 C ATOM 1454 C ASN A 94 -19.025 5.857 -9.970 1.00 1.00 C ATOM 1455 O ASN A 94 -18.358 4.934 -10.460 1.00 1.00 O ATOM 1456 CB ASN A 94 -21.302 6.037 -10.937 1.00 1.00 C ATOM 1457 CG ASN A 94 -22.430 6.957 -11.305 1.00 1.00 C ATOM 1458 OD1 ASN A 94 -23.009 7.613 -10.452 1.00 1.00 O ATOM 1459 ND2 ASN A 94 -22.778 6.977 -12.554 1.00 1.00 N ATOM 0 H ASN A 94 -19.468 6.327 -12.845 1.00 1.00 H new ATOM 0 HA ASN A 94 -20.062 7.673 -10.325 1.00 1.00 H new ATOM 0 HB2 ASN A 94 -21.239 5.246 -11.684 1.00 1.00 H new ATOM 0 HB3 ASN A 94 -21.537 5.559 -9.986 1.00 1.00 H new ATOM 0 HD21 ASN A 94 -23.562 7.556 -12.856 1.00 1.00 H new ATOM 0 HD22 ASN A 94 -22.268 6.414 -13.235 1.00 1.00 H new ATOM 1466 N THR A 95 -19.006 6.188 -8.712 1.00 1.00 N ATOM 1467 CA THR A 95 -18.314 5.490 -7.672 1.00 1.00 C ATOM 1468 C THR A 95 -19.304 5.260 -6.571 1.00 1.00 C ATOM 1469 O THR A 95 -20.447 5.753 -6.658 1.00 1.00 O ATOM 1470 CB THR A 95 -17.250 6.394 -7.102 1.00 1.00 C ATOM 1471 OG1 THR A 95 -17.709 7.756 -7.181 1.00 1.00 O ATOM 1472 CG2 THR A 95 -15.931 6.224 -7.794 1.00 1.00 C ATOM 0 H THR A 95 -19.506 7.006 -8.364 1.00 1.00 H new ATOM 0 HA THR A 95 -17.880 4.566 -8.054 1.00 1.00 H new ATOM 0 HB THR A 95 -17.082 6.122 -6.060 1.00 1.00 H new ATOM 0 HG1 THR A 95 -16.941 8.354 -7.298 1.00 1.00 H new ATOM 0 HG21 THR A 95 -15.197 6.896 -7.349 1.00 1.00 H new ATOM 0 HG22 THR A 95 -15.593 5.194 -7.685 1.00 1.00 H new ATOM 0 HG23 THR A 95 -16.043 6.459 -8.853 1.00 1.00 H new ATOM 1480 N LEU A 96 -18.910 4.563 -5.522 1.00 1.00 N ATOM 1481 CA LEU A 96 -19.817 4.435 -4.408 1.00 1.00 C ATOM 1482 C LEU A 96 -19.879 5.758 -3.669 1.00 1.00 C ATOM 1483 O LEU A 96 -20.880 6.075 -3.032 1.00 1.00 O ATOM 1484 CB LEU A 96 -19.521 3.220 -3.479 1.00 1.00 C ATOM 1485 CG LEU A 96 -18.318 3.282 -2.517 1.00 1.00 C ATOM 1486 CD1 LEU A 96 -18.664 4.024 -1.219 1.00 1.00 C ATOM 1487 CD2 LEU A 96 -17.852 1.876 -2.194 1.00 1.00 C ATOM 0 H LEU A 96 -18.008 4.097 -5.421 1.00 1.00 H new ATOM 0 HA LEU A 96 -20.806 4.205 -4.804 1.00 1.00 H new ATOM 0 HB2 LEU A 96 -20.413 3.042 -2.878 1.00 1.00 H new ATOM 0 HB3 LEU A 96 -19.387 2.346 -4.116 1.00 1.00 H new ATOM 0 HG LEU A 96 -17.521 3.835 -3.014 1.00 1.00 H new ATOM 0 HD11 LEU A 96 -17.790 4.046 -0.568 1.00 1.00 H new ATOM 0 HD12 LEU A 96 -18.968 5.044 -1.453 1.00 1.00 H new ATOM 0 HD13 LEU A 96 -19.481 3.510 -0.712 1.00 1.00 H new ATOM 0 HD21 LEU A 96 -17.001 1.922 -1.514 1.00 1.00 H new ATOM 0 HD22 LEU A 96 -18.664 1.323 -1.723 1.00 1.00 H new ATOM 0 HD23 LEU A 96 -17.555 1.371 -3.113 1.00 1.00 H new ATOM 1499 N GLN A 97 -18.796 6.555 -3.790 1.00 1.00 N ATOM 1500 CA GLN A 97 -18.762 7.878 -3.175 1.00 1.00 C ATOM 1501 C GLN A 97 -19.760 8.851 -3.789 1.00 1.00 C ATOM 1502 O GLN A 97 -20.161 9.808 -3.144 1.00 1.00 O ATOM 1503 CB GLN A 97 -17.370 8.481 -3.109 1.00 1.00 C ATOM 1504 CG GLN A 97 -16.777 8.918 -4.419 1.00 1.00 C ATOM 1505 CD GLN A 97 -15.288 8.943 -4.319 1.00 1.00 C ATOM 1506 OE1 GLN A 97 -14.658 9.983 -4.074 1.00 1.00 O ATOM 1507 NE2 GLN A 97 -14.718 7.798 -4.473 1.00 1.00 N ATOM 0 H GLN A 97 -17.951 6.301 -4.302 1.00 1.00 H new ATOM 0 HA GLN A 97 -19.076 7.707 -2.145 1.00 1.00 H new ATOM 0 HB2 GLN A 97 -17.400 9.342 -2.442 1.00 1.00 H new ATOM 0 HB3 GLN A 97 -16.700 7.750 -2.656 1.00 1.00 H new ATOM 0 HG2 GLN A 97 -17.086 8.238 -5.213 1.00 1.00 H new ATOM 0 HG3 GLN A 97 -17.149 9.907 -4.685 1.00 1.00 H new ATOM 0 HE21 GLN A 97 -15.281 6.971 -4.673 1.00 1.00 H new ATOM 0 HE22 GLN A 97 -13.704 7.718 -4.394 1.00 1.00 H new ATOM 1516 N HIS A 98 -20.146 8.620 -5.037 1.00 1.00 N ATOM 1517 CA HIS A 98 -21.105 9.511 -5.703 1.00 1.00 C ATOM 1518 C HIS A 98 -22.419 9.517 -4.919 1.00 1.00 C ATOM 1519 O HIS A 98 -23.042 10.554 -4.744 1.00 1.00 O ATOM 1520 CB HIS A 98 -21.337 9.106 -7.178 1.00 1.00 C ATOM 1521 CG HIS A 98 -22.062 10.157 -8.014 1.00 1.00 C ATOM 1522 ND1 HIS A 98 -22.855 9.853 -9.099 1.00 1.00 N ATOM 1523 CD2 HIS A 98 -22.092 11.511 -7.919 1.00 1.00 C ATOM 1524 CE1 HIS A 98 -23.320 10.955 -9.630 1.00 1.00 C ATOM 1525 NE2 HIS A 98 -22.885 11.966 -8.941 1.00 1.00 N ATOM 0 H HIS A 98 -19.820 7.839 -5.606 1.00 1.00 H new ATOM 0 HA HIS A 98 -20.690 10.519 -5.717 1.00 1.00 H new ATOM 0 HB2 HIS A 98 -20.373 8.894 -7.640 1.00 1.00 H new ATOM 0 HB3 HIS A 98 -21.912 8.180 -7.202 1.00 1.00 H new ATOM 0 HD1 HIS A 98 -23.050 8.911 -9.437 1.00 1.00 H new ATOM 0 HD2 HIS A 98 -21.587 12.115 -7.179 1.00 1.00 H new ATOM 0 HE1 HIS A 98 -23.960 11.014 -10.498 1.00 1.00 H new ATOM 1534 N TYR A 99 -22.827 8.348 -4.450 1.00 1.00 N ATOM 1535 CA TYR A 99 -24.012 8.264 -3.599 1.00 1.00 C ATOM 1536 C TYR A 99 -23.683 8.075 -2.106 1.00 1.00 C ATOM 1537 O TYR A 99 -24.596 7.973 -1.292 1.00 1.00 O ATOM 1538 CB TYR A 99 -24.964 7.182 -4.097 1.00 1.00 C ATOM 1539 CG TYR A 99 -25.646 7.559 -5.382 1.00 1.00 C ATOM 1540 CD1 TYR A 99 -26.828 8.280 -5.362 1.00 1.00 C ATOM 1541 CD2 TYR A 99 -25.105 7.216 -6.618 1.00 1.00 C ATOM 1542 CE1 TYR A 99 -27.458 8.645 -6.528 1.00 1.00 C ATOM 1543 CE2 TYR A 99 -25.734 7.582 -7.791 1.00 1.00 C ATOM 1544 CZ TYR A 99 -26.908 8.293 -7.738 1.00 1.00 C ATOM 1545 OH TYR A 99 -27.535 8.660 -8.903 1.00 1.00 O ATOM 0 H TYR A 99 -22.367 7.457 -4.638 1.00 1.00 H new ATOM 0 HA TYR A 99 -24.511 9.230 -3.674 1.00 1.00 H new ATOM 0 HB2 TYR A 99 -24.410 6.255 -4.243 1.00 1.00 H new ATOM 0 HB3 TYR A 99 -25.717 6.987 -3.334 1.00 1.00 H new ATOM 0 HD1 TYR A 99 -27.262 8.560 -4.414 1.00 1.00 H new ATOM 0 HD2 TYR A 99 -24.182 6.657 -6.660 1.00 1.00 H new ATOM 0 HE1 TYR A 99 -28.381 9.206 -6.494 1.00 1.00 H new ATOM 0 HE2 TYR A 99 -25.306 7.311 -8.745 1.00 1.00 H new ATOM 0 HH TYR A 99 -27.018 8.335 -9.669 1.00 1.00 H new ATOM 1555 N LYS A 100 -22.377 8.066 -1.771 1.00 1.00 N ATOM 1556 CA LYS A 100 -21.865 7.865 -0.388 1.00 1.00 C ATOM 1557 C LYS A 100 -22.633 6.798 0.352 1.00 1.00 C ATOM 1558 O LYS A 100 -23.316 7.068 1.345 1.00 1.00 O ATOM 1559 CB LYS A 100 -21.797 9.160 0.447 1.00 1.00 C ATOM 1560 CG LYS A 100 -20.699 10.153 0.045 1.00 1.00 C ATOM 1561 CD LYS A 100 -19.295 9.522 -0.004 1.00 1.00 C ATOM 1562 CE LYS A 100 -18.785 9.057 1.355 1.00 1.00 C ATOM 1563 NZ LYS A 100 -17.413 8.485 1.259 1.00 1.00 N ATOM 0 H LYS A 100 -21.634 8.199 -2.457 1.00 1.00 H new ATOM 0 HA LYS A 100 -20.838 7.525 -0.518 1.00 1.00 H new ATOM 0 HB2 LYS A 100 -22.761 9.665 0.380 1.00 1.00 H new ATOM 0 HB3 LYS A 100 -21.651 8.889 1.493 1.00 1.00 H new ATOM 0 HG2 LYS A 100 -20.937 10.570 -0.934 1.00 1.00 H new ATOM 0 HG3 LYS A 100 -20.692 10.983 0.752 1.00 1.00 H new ATOM 0 HD2 LYS A 100 -19.312 8.672 -0.686 1.00 1.00 H new ATOM 0 HD3 LYS A 100 -18.594 10.248 -0.416 1.00 1.00 H new ATOM 0 HE2 LYS A 100 -18.782 9.897 2.050 1.00 1.00 H new ATOM 0 HE3 LYS A 100 -19.464 8.308 1.763 1.00 1.00 H new ATOM 0 HZ1 LYS A 100 -17.190 7.969 2.134 1.00 1.00 H new ATOM 0 HZ2 LYS A 100 -17.365 7.833 0.451 1.00 1.00 H new ATOM 0 HZ3 LYS A 100 -16.725 9.253 1.125 1.00 1.00 H new ATOM 1577 N VAL A 101 -22.542 5.604 -0.138 1.00 1.00 N ATOM 1578 CA VAL A 101 -23.271 4.509 0.468 1.00 1.00 C ATOM 1579 C VAL A 101 -22.718 4.155 1.854 1.00 1.00 C ATOM 1580 O VAL A 101 -21.535 4.390 2.140 1.00 1.00 O ATOM 1581 CB VAL A 101 -23.327 3.249 -0.431 1.00 1.00 C ATOM 1582 CG1 VAL A 101 -23.551 3.637 -1.873 1.00 1.00 C ATOM 1583 CG2 VAL A 101 -22.095 2.352 -0.271 1.00 1.00 C ATOM 0 H VAL A 101 -21.978 5.351 -0.949 1.00 1.00 H new ATOM 0 HA VAL A 101 -24.294 4.865 0.586 1.00 1.00 H new ATOM 0 HB VAL A 101 -24.177 2.653 -0.099 1.00 1.00 H new ATOM 0 HG11 VAL A 101 -23.588 2.739 -2.490 1.00 1.00 H new ATOM 0 HG12 VAL A 101 -24.494 4.177 -1.962 1.00 1.00 H new ATOM 0 HG13 VAL A 101 -22.734 4.275 -2.209 1.00 1.00 H new ATOM 0 HG21 VAL A 101 -22.189 1.485 -0.925 1.00 1.00 H new ATOM 0 HG22 VAL A 101 -21.199 2.913 -0.539 1.00 1.00 H new ATOM 0 HG23 VAL A 101 -22.019 2.020 0.764 1.00 1.00 H new ATOM 1593 N PRO A 102 -23.582 3.641 2.734 1.00 1.00 N ATOM 1594 CA PRO A 102 -23.166 3.184 4.051 1.00 1.00 C ATOM 1595 C PRO A 102 -22.461 1.848 3.976 1.00 1.00 C ATOM 1596 O PRO A 102 -22.663 1.074 3.020 1.00 1.00 O ATOM 1597 CB PRO A 102 -24.488 3.073 4.812 1.00 1.00 C ATOM 1598 CG PRO A 102 -25.479 2.717 3.763 1.00 1.00 C ATOM 1599 CD PRO A 102 -25.035 3.449 2.523 1.00 1.00 C ATOM 0 HA PRO A 102 -22.451 3.854 4.529 1.00 1.00 H new ATOM 0 HB2 PRO A 102 -24.438 2.310 5.589 1.00 1.00 H new ATOM 0 HB3 PRO A 102 -24.746 4.012 5.303 1.00 1.00 H new ATOM 0 HG2 PRO A 102 -25.503 1.640 3.595 1.00 1.00 H new ATOM 0 HG3 PRO A 102 -26.485 3.016 4.056 1.00 1.00 H new ATOM 0 HD2 PRO A 102 -25.236 2.870 1.622 1.00 1.00 H new ATOM 0 HD3 PRO A 102 -25.553 4.401 2.412 1.00 1.00 H new ATOM 1607 N ASP A 103 -21.635 1.567 4.954 1.00 1.00 N ATOM 1608 CA ASP A 103 -20.947 0.301 5.001 1.00 1.00 C ATOM 1609 C ASP A 103 -21.933 -0.820 5.207 1.00 1.00 C ATOM 1610 O ASP A 103 -22.742 -0.810 6.145 1.00 1.00 O ATOM 1611 CB ASP A 103 -19.811 0.264 6.047 1.00 1.00 C ATOM 1612 CG ASP A 103 -20.247 0.467 7.480 1.00 1.00 C ATOM 1613 OD1 ASP A 103 -20.270 1.638 7.945 1.00 1.00 O ATOM 1614 OD2 ASP A 103 -20.528 -0.527 8.180 1.00 1.00 O ATOM 0 H ASP A 103 -21.423 2.197 5.727 1.00 1.00 H new ATOM 0 HA ASP A 103 -20.458 0.165 4.036 1.00 1.00 H new ATOM 0 HB2 ASP A 103 -19.301 -0.697 5.972 1.00 1.00 H new ATOM 0 HB3 ASP A 103 -19.081 1.033 5.794 1.00 1.00 H new ATOM 1619 N GLY A 104 -21.897 -1.762 4.315 1.00 1.00 N ATOM 1620 CA GLY A 104 -22.817 -2.857 4.367 1.00 1.00 C ATOM 1621 C GLY A 104 -24.029 -2.623 3.495 1.00 1.00 C ATOM 1622 O GLY A 104 -25.083 -3.219 3.716 1.00 1.00 O ATOM 0 H GLY A 104 -21.237 -1.794 3.538 1.00 1.00 H new ATOM 0 HA2 GLY A 104 -22.313 -3.769 4.049 1.00 1.00 H new ATOM 0 HA3 GLY A 104 -23.137 -3.013 5.397 1.00 1.00 H new ATOM 1626 N ALA A 105 -23.886 -1.746 2.505 1.00 1.00 N ATOM 1627 CA ALA A 105 -24.969 -1.486 1.563 1.00 1.00 C ATOM 1628 C ALA A 105 -25.160 -2.693 0.638 1.00 1.00 C ATOM 1629 O ALA A 105 -24.295 -3.573 0.555 1.00 1.00 O ATOM 1630 CB ALA A 105 -24.744 -0.201 0.777 1.00 1.00 C ATOM 0 H ALA A 105 -23.037 -1.207 2.335 1.00 1.00 H new ATOM 0 HA ALA A 105 -25.887 -1.340 2.131 1.00 1.00 H new ATOM 0 HB1 ALA A 105 -25.574 -0.046 0.088 1.00 1.00 H new ATOM 0 HB2 ALA A 105 -24.683 0.641 1.466 1.00 1.00 H new ATOM 0 HB3 ALA A 105 -23.814 -0.277 0.214 1.00 1.00 H new ATOM 1636 N THR A 106 -26.257 -2.752 -0.035 1.00 1.00 N ATOM 1637 CA THR A 106 -26.564 -3.919 -0.824 1.00 1.00 C ATOM 1638 C THR A 106 -26.520 -3.594 -2.304 1.00 1.00 C ATOM 1639 O THR A 106 -27.083 -2.611 -2.742 1.00 1.00 O ATOM 1640 CB THR A 106 -27.955 -4.504 -0.445 1.00 1.00 C ATOM 1641 OG1 THR A 106 -27.980 -4.811 0.954 1.00 1.00 O ATOM 1642 CG2 THR A 106 -28.258 -5.772 -1.237 1.00 1.00 C ATOM 0 H THR A 106 -26.961 -2.015 -0.062 1.00 1.00 H new ATOM 0 HA THR A 106 -25.806 -4.672 -0.608 1.00 1.00 H new ATOM 0 HB THR A 106 -28.712 -3.757 -0.684 1.00 1.00 H new ATOM 0 HG1 THR A 106 -28.857 -5.178 1.193 1.00 1.00 H new ATOM 0 HG21 THR A 106 -29.237 -6.156 -0.949 1.00 1.00 H new ATOM 0 HG22 THR A 106 -28.257 -5.544 -2.303 1.00 1.00 H new ATOM 0 HG23 THR A 106 -27.497 -6.523 -1.026 1.00 1.00 H new ATOM 1650 N VAL A 107 -25.829 -4.392 -3.057 1.00 1.00 N ATOM 1651 CA VAL A 107 -25.779 -4.206 -4.479 1.00 1.00 C ATOM 1652 C VAL A 107 -26.450 -5.374 -5.154 1.00 1.00 C ATOM 1653 O VAL A 107 -26.321 -6.515 -4.708 1.00 1.00 O ATOM 1654 CB VAL A 107 -24.332 -4.058 -5.023 1.00 1.00 C ATOM 1655 CG1 VAL A 107 -23.623 -2.888 -4.373 1.00 1.00 C ATOM 1656 CG2 VAL A 107 -23.532 -5.337 -4.846 1.00 1.00 C ATOM 0 H VAL A 107 -25.288 -5.184 -2.711 1.00 1.00 H new ATOM 0 HA VAL A 107 -26.299 -3.274 -4.701 1.00 1.00 H new ATOM 0 HB VAL A 107 -24.407 -3.861 -6.092 1.00 1.00 H new ATOM 0 HG11 VAL A 107 -22.612 -2.808 -4.772 1.00 1.00 H new ATOM 0 HG12 VAL A 107 -24.170 -1.969 -4.583 1.00 1.00 H new ATOM 0 HG13 VAL A 107 -23.576 -3.044 -3.295 1.00 1.00 H new ATOM 0 HG21 VAL A 107 -22.525 -5.194 -5.239 1.00 1.00 H new ATOM 0 HG22 VAL A 107 -23.476 -5.588 -3.787 1.00 1.00 H new ATOM 0 HG23 VAL A 107 -24.020 -6.149 -5.386 1.00 1.00 H new ATOM 1666 N ALA A 108 -27.193 -5.101 -6.170 1.00 1.00 N ATOM 1667 CA ALA A 108 -27.834 -6.145 -6.918 1.00 1.00 C ATOM 1668 C ALA A 108 -27.591 -5.931 -8.377 1.00 1.00 C ATOM 1669 O ALA A 108 -27.647 -4.834 -8.850 1.00 1.00 O ATOM 1670 CB ALA A 108 -29.316 -6.200 -6.631 1.00 1.00 C ATOM 0 H ALA A 108 -27.377 -4.157 -6.510 1.00 1.00 H new ATOM 0 HA ALA A 108 -27.408 -7.101 -6.614 1.00 1.00 H new ATOM 0 HB1 ALA A 108 -29.770 -7.001 -7.214 1.00 1.00 H new ATOM 0 HB2 ALA A 108 -29.474 -6.389 -5.569 1.00 1.00 H new ATOM 0 HB3 ALA A 108 -29.775 -5.249 -6.903 1.00 1.00 H new ATOM 1676 N LEU A 109 -27.331 -6.965 -9.075 1.00 1.00 N ATOM 1677 CA LEU A 109 -27.038 -6.851 -10.478 1.00 1.00 C ATOM 1678 C LEU A 109 -28.171 -7.396 -11.299 1.00 1.00 C ATOM 1679 O LEU A 109 -28.789 -8.406 -10.929 1.00 1.00 O ATOM 1680 CB LEU A 109 -25.677 -7.507 -10.843 1.00 1.00 C ATOM 1681 CG LEU A 109 -25.512 -9.017 -10.571 1.00 1.00 C ATOM 1682 CD1 LEU A 109 -25.935 -9.850 -11.782 1.00 1.00 C ATOM 1683 CD2 LEU A 109 -24.075 -9.331 -10.192 1.00 1.00 C ATOM 0 H LEU A 109 -27.311 -7.917 -8.709 1.00 1.00 H new ATOM 0 HA LEU A 109 -26.937 -5.792 -10.716 1.00 1.00 H new ATOM 0 HB2 LEU A 109 -25.496 -7.336 -11.904 1.00 1.00 H new ATOM 0 HB3 LEU A 109 -24.894 -6.981 -10.297 1.00 1.00 H new ATOM 0 HG LEU A 109 -26.164 -9.280 -9.738 1.00 1.00 H new ATOM 0 HD11 LEU A 109 -25.807 -10.909 -11.558 1.00 1.00 H new ATOM 0 HD12 LEU A 109 -26.982 -9.652 -12.012 1.00 1.00 H new ATOM 0 HD13 LEU A 109 -25.318 -9.583 -12.640 1.00 1.00 H new ATOM 0 HD21 LEU A 109 -23.974 -10.400 -10.003 1.00 1.00 H new ATOM 0 HD22 LEU A 109 -23.412 -9.042 -11.008 1.00 1.00 H new ATOM 0 HD23 LEU A 109 -23.806 -8.777 -9.293 1.00 1.00 H new ATOM 1695 N VAL A 110 -28.472 -6.711 -12.369 1.00 1.00 N ATOM 1696 CA VAL A 110 -29.509 -7.115 -13.279 1.00 1.00 C ATOM 1697 C VAL A 110 -28.969 -7.089 -14.716 1.00 1.00 C ATOM 1698 O VAL A 110 -28.333 -6.109 -15.129 1.00 1.00 O ATOM 1699 CB VAL A 110 -30.790 -6.219 -13.161 1.00 1.00 C ATOM 1700 CG1 VAL A 110 -31.410 -6.327 -11.785 1.00 1.00 C ATOM 1701 CG2 VAL A 110 -30.516 -4.762 -13.492 1.00 1.00 C ATOM 0 H VAL A 110 -27.999 -5.848 -12.636 1.00 1.00 H new ATOM 0 HA VAL A 110 -29.808 -8.129 -13.013 1.00 1.00 H new ATOM 0 HB VAL A 110 -31.495 -6.598 -13.900 1.00 1.00 H new ATOM 0 HG11 VAL A 110 -32.296 -5.694 -11.735 1.00 1.00 H new ATOM 0 HG12 VAL A 110 -31.692 -7.362 -11.593 1.00 1.00 H new ATOM 0 HG13 VAL A 110 -30.689 -6.002 -11.035 1.00 1.00 H new ATOM 0 HG21 VAL A 110 -31.437 -4.187 -13.394 1.00 1.00 H new ATOM 0 HG22 VAL A 110 -29.767 -4.367 -12.805 1.00 1.00 H new ATOM 0 HG23 VAL A 110 -30.147 -4.684 -14.515 1.00 1.00 H new ATOM 1711 N PRO A 111 -29.179 -8.170 -15.488 1.00 1.00 N ATOM 1712 CA PRO A 111 -28.709 -8.259 -16.879 1.00 1.00 C ATOM 1713 C PRO A 111 -29.459 -7.302 -17.813 1.00 1.00 C ATOM 1714 O PRO A 111 -30.374 -7.704 -18.531 1.00 1.00 O ATOM 1715 CB PRO A 111 -28.992 -9.719 -17.259 1.00 1.00 C ATOM 1716 CG PRO A 111 -30.089 -10.139 -16.341 1.00 1.00 C ATOM 1717 CD PRO A 111 -29.860 -9.403 -15.058 1.00 1.00 C ATOM 0 HA PRO A 111 -27.660 -7.978 -16.973 1.00 1.00 H new ATOM 0 HB2 PRO A 111 -29.293 -9.806 -18.303 1.00 1.00 H new ATOM 0 HB3 PRO A 111 -28.107 -10.341 -17.130 1.00 1.00 H new ATOM 0 HG2 PRO A 111 -31.064 -9.895 -16.762 1.00 1.00 H new ATOM 0 HG3 PRO A 111 -30.072 -11.217 -16.181 1.00 1.00 H new ATOM 0 HD2 PRO A 111 -30.798 -9.186 -14.546 1.00 1.00 H new ATOM 0 HD3 PRO A 111 -29.246 -9.981 -14.367 1.00 1.00 H new ATOM 1725 N CYS A 112 -29.062 -6.035 -17.757 1.00 1.00 N ATOM 1726 CA CYS A 112 -29.609 -4.958 -18.566 1.00 1.00 C ATOM 1727 C CYS A 112 -31.125 -4.831 -18.366 1.00 1.00 C ATOM 1728 O CYS A 112 -31.931 -5.405 -19.123 1.00 1.00 O ATOM 1729 CB CYS A 112 -29.206 -5.110 -20.044 1.00 1.00 C ATOM 1730 SG CYS A 112 -29.755 -3.773 -21.134 1.00 1.00 S ATOM 0 H CYS A 112 -28.325 -5.722 -17.125 1.00 1.00 H new ATOM 0 HA CYS A 112 -29.174 -4.018 -18.227 1.00 1.00 H new ATOM 0 HB2 CYS A 112 -28.120 -5.182 -20.102 1.00 1.00 H new ATOM 0 HB3 CYS A 112 -29.608 -6.051 -20.419 1.00 1.00 H new ATOM 0 HG CYS A 112 -29.355 -4.011 -22.348 1.00 1.00 H new