USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=15 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 56 LYS NZ :NH3+ -108:sc= 0.611 (180deg=0) USER MOD Set 1.2: A 81 THR OG1 : rot 94:sc= 1.73 USER MOD Single : A 6 THR OG1 : rot 24:sc= 0.236 USER MOD Single : A 8 GLN : amide:sc= 0.328 X(o=0.33,f=-0.076) USER MOD Single : A 15 GLN : amide:sc= 0.627 K(o=0.63,f=-1.1) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -1.12 K(o=-1.1,f=-3!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.0153 X(o=-0.015,f=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.0102 X(o=-0.01,f=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 149:sc= 1.06 (180deg=0.313) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -29:sc= 0.235 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot -1:sc= 0.689 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 1.04 K(o=1,f=-0.013) USER MOD Single : A 83 LYS NZ :NH3+ -167:sc=-0.00945 (180deg=-0.166) USER MOD Single : A 84 ASN : amide:sc= -0.0339 X(o=-0.034,f=-0.034) USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 6 10.281 -6.002 1.508 1.00 0.00 N ATOM 83 CA THR A 6 9.923 -6.774 2.692 1.00 0.00 C ATOM 84 C THR A 6 10.996 -7.824 2.965 1.00 0.00 C ATOM 85 O THR A 6 11.910 -7.994 2.159 1.00 0.00 O ATOM 86 CB THR A 6 8.546 -7.414 2.461 1.00 0.00 C ATOM 87 OG1 THR A 6 7.621 -6.416 2.089 1.00 0.00 O ATOM 88 CG2 THR A 6 7.999 -8.096 3.715 1.00 0.00 C ATOM 0 HA THR A 6 9.865 -6.130 3.569 1.00 0.00 H new ATOM 0 HB THR A 6 8.675 -8.163 1.680 1.00 0.00 H new ATOM 0 HG1 THR A 6 8.100 -5.656 1.696 1.00 0.00 H new ATOM 0 HG21 THR A 6 7.024 -8.532 3.496 1.00 0.00 H new ATOM 0 HG22 THR A 6 8.685 -8.882 4.030 1.00 0.00 H new ATOM 0 HG23 THR A 6 7.897 -7.361 4.514 1.00 0.00 H new ATOM 96 N ASP A 7 10.903 -8.533 4.095 1.00 0.00 N ATOM 97 CA ASP A 7 11.880 -9.539 4.497 1.00 0.00 C ATOM 98 C ASP A 7 12.083 -10.609 3.419 1.00 0.00 C ATOM 99 O ASP A 7 13.078 -11.329 3.441 1.00 0.00 O ATOM 100 CB ASP A 7 11.420 -10.178 5.807 1.00 0.00 C ATOM 101 CG ASP A 7 10.090 -10.915 5.656 1.00 0.00 C ATOM 102 OD1 ASP A 7 10.123 -12.073 5.188 1.00 0.00 O ATOM 103 OD2 ASP A 7 9.053 -10.310 6.009 1.00 0.00 O ATOM 0 H ASP A 7 10.138 -8.420 4.760 1.00 0.00 H new ATOM 0 HA ASP A 7 12.843 -9.049 4.637 1.00 0.00 H new ATOM 0 HB2 ASP A 7 12.182 -10.875 6.156 1.00 0.00 H new ATOM 0 HB3 ASP A 7 11.321 -9.406 6.570 1.00 0.00 H new ATOM 108 N GLN A 8 11.151 -10.715 2.468 1.00 0.00 N ATOM 109 CA GLN A 8 11.271 -11.654 1.365 1.00 0.00 C ATOM 110 C GLN A 8 12.440 -11.259 0.462 1.00 0.00 C ATOM 111 O GLN A 8 13.319 -12.069 0.182 1.00 0.00 O ATOM 112 CB GLN A 8 9.956 -11.655 0.580 1.00 0.00 C ATOM 113 CG GLN A 8 10.035 -12.549 -0.660 1.00 0.00 C ATOM 114 CD GLN A 8 10.319 -14.002 -0.308 1.00 0.00 C ATOM 115 OE1 GLN A 8 9.402 -14.794 -0.120 1.00 0.00 O ATOM 116 NE2 GLN A 8 11.596 -14.363 -0.215 1.00 0.00 N ATOM 0 H GLN A 8 10.300 -10.153 2.446 1.00 0.00 H new ATOM 0 HA GLN A 8 11.467 -12.656 1.747 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.148 -11.999 1.225 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.712 -10.636 0.279 1.00 0.00 H new ATOM 0 HG2 GLN A 8 9.096 -12.488 -1.210 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.817 -12.179 -1.323 1.00 0.00 H new ATOM 0 HE21 GLN A 8 12.333 -13.677 -0.378 1.00 0.00 H new ATOM 0 HE22 GLN A 8 11.838 -15.326 0.019 1.00 0.00 H new ATOM 125 N VAL A 9 12.448 -10.006 0.006 1.00 0.00 N ATOM 126 CA VAL A 9 13.453 -9.507 -0.922 1.00 0.00 C ATOM 127 C VAL A 9 14.699 -9.037 -0.171 1.00 0.00 C ATOM 128 O VAL A 9 15.792 -9.043 -0.731 1.00 0.00 O ATOM 129 CB VAL A 9 12.834 -8.397 -1.785 1.00 0.00 C ATOM 130 CG1 VAL A 9 12.159 -7.332 -0.922 1.00 0.00 C ATOM 131 CG2 VAL A 9 13.887 -7.719 -2.664 1.00 0.00 C ATOM 0 H VAL A 9 11.753 -9.309 0.273 1.00 0.00 H new ATOM 0 HA VAL A 9 13.778 -10.310 -1.584 1.00 0.00 H new ATOM 0 HB VAL A 9 12.088 -8.877 -2.419 1.00 0.00 H new ATOM 0 HG11 VAL A 9 11.731 -6.561 -1.563 1.00 0.00 H new ATOM 0 HG12 VAL A 9 11.368 -7.791 -0.330 1.00 0.00 H new ATOM 0 HG13 VAL A 9 12.896 -6.882 -0.256 1.00 0.00 H new ATOM 0 HG21 VAL A 9 13.415 -6.939 -3.261 1.00 0.00 H new ATOM 0 HG22 VAL A 9 14.658 -7.276 -2.033 1.00 0.00 H new ATOM 0 HG23 VAL A 9 14.340 -8.458 -3.325 1.00 0.00 H new ATOM 141 N LEU A 10 14.552 -8.632 1.093 1.00 0.00 N ATOM 142 CA LEU A 10 15.685 -8.202 1.894 1.00 0.00 C ATOM 143 C LEU A 10 16.573 -9.389 2.256 1.00 0.00 C ATOM 144 O LEU A 10 17.775 -9.208 2.433 1.00 0.00 O ATOM 145 CB LEU A 10 15.183 -7.484 3.147 1.00 0.00 C ATOM 146 CG LEU A 10 15.137 -5.966 2.951 1.00 0.00 C ATOM 147 CD1 LEU A 10 14.298 -5.554 1.746 1.00 0.00 C ATOM 148 CD2 LEU A 10 14.542 -5.308 4.191 1.00 0.00 C ATOM 0 H LEU A 10 13.655 -8.595 1.578 1.00 0.00 H new ATOM 0 HA LEU A 10 16.291 -7.507 1.313 1.00 0.00 H new ATOM 0 HB2 LEU A 10 14.188 -7.848 3.401 1.00 0.00 H new ATOM 0 HB3 LEU A 10 15.834 -7.723 3.988 1.00 0.00 H new ATOM 0 HG LEU A 10 16.163 -5.640 2.781 1.00 0.00 H new ATOM 0 HD11 LEU A 10 14.301 -4.468 1.655 1.00 0.00 H new ATOM 0 HD12 LEU A 10 14.718 -5.995 0.842 1.00 0.00 H new ATOM 0 HD13 LEU A 10 13.274 -5.905 1.878 1.00 0.00 H new ATOM 0 HD21 LEU A 10 14.510 -4.228 4.050 1.00 0.00 H new ATOM 0 HD22 LEU A 10 13.531 -5.683 4.352 1.00 0.00 H new ATOM 0 HD23 LEU A 10 15.159 -5.542 5.059 1.00 0.00 H new ATOM 160 N VAL A 11 16.017 -10.600 2.363 1.00 0.00 N ATOM 161 CA VAL A 11 16.837 -11.772 2.646 1.00 0.00 C ATOM 162 C VAL A 11 17.474 -12.288 1.357 1.00 0.00 C ATOM 163 O VAL A 11 18.553 -12.874 1.389 1.00 0.00 O ATOM 164 CB VAL A 11 16.017 -12.852 3.358 1.00 0.00 C ATOM 165 CG1 VAL A 11 16.817 -14.149 3.476 1.00 0.00 C ATOM 166 CG2 VAL A 11 15.680 -12.388 4.775 1.00 0.00 C ATOM 0 H VAL A 11 15.020 -10.789 2.259 1.00 0.00 H new ATOM 0 HA VAL A 11 17.642 -11.489 3.324 1.00 0.00 H new ATOM 0 HB VAL A 11 15.112 -13.025 2.776 1.00 0.00 H new ATOM 0 HG11 VAL A 11 16.216 -14.902 3.985 1.00 0.00 H new ATOM 0 HG12 VAL A 11 17.080 -14.506 2.480 1.00 0.00 H new ATOM 0 HG13 VAL A 11 17.727 -13.965 4.047 1.00 0.00 H new ATOM 0 HG21 VAL A 11 15.096 -13.157 5.281 1.00 0.00 H new ATOM 0 HG22 VAL A 11 16.602 -12.210 5.328 1.00 0.00 H new ATOM 0 HG23 VAL A 11 15.101 -11.466 4.728 1.00 0.00 H new ATOM 176 N GLU A 12 16.825 -12.079 0.208 1.00 0.00 N ATOM 177 CA GLU A 12 17.422 -12.467 -1.059 1.00 0.00 C ATOM 178 C GLU A 12 18.591 -11.549 -1.399 1.00 0.00 C ATOM 179 O GLU A 12 19.599 -11.994 -1.940 1.00 0.00 O ATOM 180 CB GLU A 12 16.372 -12.381 -2.165 1.00 0.00 C ATOM 181 CG GLU A 12 15.347 -13.511 -2.057 1.00 0.00 C ATOM 182 CD GLU A 12 14.333 -13.432 -3.200 1.00 0.00 C ATOM 183 OE1 GLU A 12 14.738 -13.712 -4.350 1.00 0.00 O ATOM 184 OE2 GLU A 12 13.161 -13.095 -2.915 1.00 0.00 O ATOM 0 H GLU A 12 15.902 -11.650 0.135 1.00 0.00 H new ATOM 0 HA GLU A 12 17.789 -13.490 -0.976 1.00 0.00 H new ATOM 0 HB2 GLU A 12 15.862 -11.419 -2.109 1.00 0.00 H new ATOM 0 HB3 GLU A 12 16.862 -12.425 -3.137 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.856 -14.474 -2.082 1.00 0.00 H new ATOM 0 HG3 GLU A 12 14.829 -13.449 -1.100 1.00 0.00 H new ATOM 191 N ARG A 13 18.463 -10.254 -1.088 1.00 0.00 N ATOM 192 CA ARG A 13 19.468 -9.267 -1.460 1.00 0.00 C ATOM 193 C ARG A 13 20.746 -9.416 -0.638 1.00 0.00 C ATOM 194 O ARG A 13 21.837 -9.201 -1.165 1.00 0.00 O ATOM 195 CB ARG A 13 18.851 -7.871 -1.324 1.00 0.00 C ATOM 196 CG ARG A 13 19.844 -6.811 -1.783 1.00 0.00 C ATOM 197 CD ARG A 13 19.141 -5.475 -2.006 1.00 0.00 C ATOM 198 NE ARG A 13 20.054 -4.512 -2.629 1.00 0.00 N ATOM 199 CZ ARG A 13 19.711 -3.277 -3.002 1.00 0.00 C ATOM 200 NH1 ARG A 13 18.484 -2.811 -2.785 1.00 0.00 N ATOM 201 NH2 ARG A 13 20.612 -2.503 -3.597 1.00 0.00 N ATOM 0 H ARG A 13 17.668 -9.870 -0.578 1.00 0.00 H new ATOM 0 HA ARG A 13 19.768 -9.427 -2.496 1.00 0.00 H new ATOM 0 HB2 ARG A 13 17.940 -7.808 -1.919 1.00 0.00 H new ATOM 0 HB3 ARG A 13 18.568 -7.690 -0.287 1.00 0.00 H new ATOM 0 HG2 ARG A 13 20.630 -6.694 -1.037 1.00 0.00 H new ATOM 0 HG3 ARG A 13 20.326 -7.133 -2.706 1.00 0.00 H new ATOM 0 HD2 ARG A 13 18.267 -5.619 -2.641 1.00 0.00 H new ATOM 0 HD3 ARG A 13 18.783 -5.082 -1.054 1.00 0.00 H new ATOM 0 HE ARG A 13 21.018 -4.806 -2.788 1.00 0.00 H new ATOM 0 HH11 ARG A 13 17.788 -3.400 -2.327 1.00 0.00 H new ATOM 0 HH12 ARG A 13 18.239 -1.865 -3.077 1.00 0.00 H new ATOM 0 HH21 ARG A 13 21.555 -2.854 -3.765 1.00 0.00 H new ATOM 0 HH22 ARG A 13 20.361 -1.558 -3.886 1.00 0.00 H new ATOM 215 N VAL A 14 20.634 -9.786 0.640 1.00 0.00 N ATOM 216 CA VAL A 14 21.812 -10.001 1.476 1.00 0.00 C ATOM 217 C VAL A 14 22.526 -11.298 1.095 1.00 0.00 C ATOM 218 O VAL A 14 23.722 -11.436 1.345 1.00 0.00 O ATOM 219 CB VAL A 14 21.428 -10.010 2.957 1.00 0.00 C ATOM 220 CG1 VAL A 14 20.810 -8.672 3.334 1.00 0.00 C ATOM 221 CG2 VAL A 14 20.436 -11.117 3.289 1.00 0.00 C ATOM 0 H VAL A 14 19.744 -9.942 1.114 1.00 0.00 H new ATOM 0 HA VAL A 14 22.502 -9.175 1.305 1.00 0.00 H new ATOM 0 HB VAL A 14 22.341 -10.189 3.525 1.00 0.00 H new ATOM 0 HG11 VAL A 14 20.538 -8.682 4.389 1.00 0.00 H new ATOM 0 HG12 VAL A 14 21.530 -7.874 3.152 1.00 0.00 H new ATOM 0 HG13 VAL A 14 19.919 -8.500 2.731 1.00 0.00 H new ATOM 0 HG21 VAL A 14 20.194 -11.082 4.351 1.00 0.00 H new ATOM 0 HG22 VAL A 14 19.526 -10.977 2.705 1.00 0.00 H new ATOM 0 HG23 VAL A 14 20.877 -12.085 3.049 1.00 0.00 H new ATOM 231 N GLN A 15 21.803 -12.247 0.488 1.00 0.00 N ATOM 232 CA GLN A 15 22.404 -13.474 -0.013 1.00 0.00 C ATOM 233 C GLN A 15 23.077 -13.230 -1.367 1.00 0.00 C ATOM 234 O GLN A 15 23.870 -14.052 -1.824 1.00 0.00 O ATOM 235 CB GLN A 15 21.327 -14.553 -0.131 1.00 0.00 C ATOM 236 CG GLN A 15 20.848 -14.999 1.255 1.00 0.00 C ATOM 237 CD GLN A 15 19.707 -16.008 1.163 1.00 0.00 C ATOM 238 OE1 GLN A 15 19.157 -16.247 0.092 1.00 0.00 O ATOM 239 NE2 GLN A 15 19.335 -16.618 2.287 1.00 0.00 N ATOM 0 H GLN A 15 20.797 -12.181 0.335 1.00 0.00 H new ATOM 0 HA GLN A 15 23.171 -13.810 0.685 1.00 0.00 H new ATOM 0 HB2 GLN A 15 20.484 -14.170 -0.706 1.00 0.00 H new ATOM 0 HB3 GLN A 15 21.722 -15.410 -0.677 1.00 0.00 H new ATOM 0 HG2 GLN A 15 21.681 -15.441 1.802 1.00 0.00 H new ATOM 0 HG3 GLN A 15 20.519 -14.129 1.823 1.00 0.00 H new ATOM 0 HE21 GLN A 15 19.808 -16.402 3.165 1.00 0.00 H new ATOM 0 HE22 GLN A 15 18.578 -17.301 2.270 1.00 0.00 H new ATOM 248 N LYS A 16 22.763 -12.096 -2.008 1.00 0.00 N ATOM 249 CA LYS A 16 23.357 -11.700 -3.279 1.00 0.00 C ATOM 250 C LYS A 16 24.593 -10.815 -3.082 1.00 0.00 C ATOM 251 O LYS A 16 25.176 -10.345 -4.059 1.00 0.00 O ATOM 252 CB LYS A 16 22.287 -11.037 -4.147 1.00 0.00 C ATOM 253 CG LYS A 16 21.308 -12.115 -4.609 1.00 0.00 C ATOM 254 CD LYS A 16 20.081 -11.492 -5.268 1.00 0.00 C ATOM 255 CE LYS A 16 19.067 -12.598 -5.558 1.00 0.00 C ATOM 256 NZ LYS A 16 17.842 -12.059 -6.177 1.00 0.00 N ATOM 0 H LYS A 16 22.082 -11.426 -1.650 1.00 0.00 H new ATOM 0 HA LYS A 16 23.718 -12.588 -3.798 1.00 0.00 H new ATOM 0 HB2 LYS A 16 21.764 -10.266 -3.582 1.00 0.00 H new ATOM 0 HB3 LYS A 16 22.745 -10.547 -5.006 1.00 0.00 H new ATOM 0 HG2 LYS A 16 21.803 -12.784 -5.313 1.00 0.00 H new ATOM 0 HG3 LYS A 16 21.000 -12.721 -3.757 1.00 0.00 H new ATOM 0 HD2 LYS A 16 19.642 -10.739 -4.614 1.00 0.00 H new ATOM 0 HD3 LYS A 16 20.364 -10.987 -6.191 1.00 0.00 H new ATOM 0 HE2 LYS A 16 19.515 -13.339 -6.220 1.00 0.00 H new ATOM 0 HE3 LYS A 16 18.812 -13.111 -4.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.175 -12.836 -6.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 17.402 -11.370 -5.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 18.083 -11.591 -7.074 1.00 0.00 H new ATOM 270 N GLY A 17 24.995 -10.586 -1.825 1.00 0.00 N ATOM 271 CA GLY A 17 26.240 -9.896 -1.500 1.00 0.00 C ATOM 272 C GLY A 17 26.032 -8.459 -1.015 1.00 0.00 C ATOM 273 O GLY A 17 27.006 -7.775 -0.709 1.00 0.00 O ATOM 0 H GLY A 17 24.461 -10.877 -1.006 1.00 0.00 H new ATOM 0 HA2 GLY A 17 26.768 -10.458 -0.730 1.00 0.00 H new ATOM 0 HA3 GLY A 17 26.881 -9.885 -2.382 1.00 0.00 H new ATOM 277 N ASP A 18 24.783 -7.995 -0.937 1.00 0.00 N ATOM 278 CA ASP A 18 24.483 -6.649 -0.473 1.00 0.00 C ATOM 279 C ASP A 18 24.186 -6.686 1.022 1.00 0.00 C ATOM 280 O ASP A 18 23.030 -6.749 1.434 1.00 0.00 O ATOM 281 CB ASP A 18 23.301 -6.094 -1.273 1.00 0.00 C ATOM 282 CG ASP A 18 23.706 -5.487 -2.616 1.00 0.00 C ATOM 283 OD1 ASP A 18 24.836 -5.761 -3.081 1.00 0.00 O ATOM 284 OD2 ASP A 18 22.868 -4.745 -3.172 1.00 0.00 O ATOM 0 H ASP A 18 23.960 -8.541 -1.193 1.00 0.00 H new ATOM 0 HA ASP A 18 25.337 -5.990 -0.629 1.00 0.00 H new ATOM 0 HB2 ASP A 18 22.582 -6.895 -1.447 1.00 0.00 H new ATOM 0 HB3 ASP A 18 22.794 -5.334 -0.678 1.00 0.00 H new ATOM 289 N GLN A 19 25.234 -6.645 1.849 1.00 0.00 N ATOM 290 CA GLN A 19 25.097 -6.673 3.300 1.00 0.00 C ATOM 291 C GLN A 19 24.393 -5.407 3.795 1.00 0.00 C ATOM 292 O GLN A 19 23.851 -5.383 4.897 1.00 0.00 O ATOM 293 CB GLN A 19 26.496 -6.845 3.907 1.00 0.00 C ATOM 294 CG GLN A 19 26.461 -7.040 5.425 1.00 0.00 C ATOM 295 CD GLN A 19 26.400 -5.729 6.206 1.00 0.00 C ATOM 296 OE1 GLN A 19 26.613 -4.649 5.661 1.00 0.00 O ATOM 297 NE2 GLN A 19 26.107 -5.817 7.502 1.00 0.00 N ATOM 0 H GLN A 19 26.200 -6.591 1.527 1.00 0.00 H new ATOM 0 HA GLN A 19 24.475 -7.510 3.615 1.00 0.00 H new ATOM 0 HB2 GLN A 19 26.985 -7.703 3.446 1.00 0.00 H new ATOM 0 HB3 GLN A 19 27.100 -5.969 3.671 1.00 0.00 H new ATOM 0 HG2 GLN A 19 25.596 -7.649 5.685 1.00 0.00 H new ATOM 0 HG3 GLN A 19 27.347 -7.596 5.733 1.00 0.00 H new ATOM 0 HE21 GLN A 19 25.935 -6.729 7.925 1.00 0.00 H new ATOM 0 HE22 GLN A 19 26.054 -4.972 8.071 1.00 0.00 H new ATOM 306 N LYS A 20 24.389 -4.348 2.980 1.00 0.00 N ATOM 307 CA LYS A 20 23.706 -3.103 3.298 1.00 0.00 C ATOM 308 C LYS A 20 22.201 -3.320 3.432 1.00 0.00 C ATOM 309 O LYS A 20 21.525 -2.525 4.084 1.00 0.00 O ATOM 310 CB LYS A 20 24.019 -2.091 2.193 1.00 0.00 C ATOM 311 CG LYS A 20 23.514 -2.569 0.829 1.00 0.00 C ATOM 312 CD LYS A 20 24.022 -1.643 -0.272 1.00 0.00 C ATOM 313 CE LYS A 20 23.542 -2.140 -1.633 1.00 0.00 C ATOM 314 NZ LYS A 20 24.082 -1.302 -2.722 1.00 0.00 N ATOM 0 H LYS A 20 24.864 -4.336 2.077 1.00 0.00 H new ATOM 0 HA LYS A 20 24.057 -2.724 4.258 1.00 0.00 H new ATOM 0 HB2 LYS A 20 23.560 -1.133 2.436 1.00 0.00 H new ATOM 0 HB3 LYS A 20 25.095 -1.925 2.145 1.00 0.00 H new ATOM 0 HG2 LYS A 20 23.854 -3.588 0.643 1.00 0.00 H new ATOM 0 HG3 LYS A 20 22.424 -2.590 0.823 1.00 0.00 H new ATOM 0 HD2 LYS A 20 23.664 -0.628 -0.099 1.00 0.00 H new ATOM 0 HD3 LYS A 20 25.111 -1.605 -0.253 1.00 0.00 H new ATOM 0 HE2 LYS A 20 23.853 -3.175 -1.777 1.00 0.00 H new ATOM 0 HE3 LYS A 20 22.453 -2.127 -1.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 23.741 -1.660 -3.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 23.764 -0.320 -2.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 25.121 -1.335 -2.703 1.00 0.00 H new ATOM 328 N ALA A 21 21.668 -4.386 2.828 1.00 0.00 N ATOM 329 CA ALA A 21 20.255 -4.697 2.949 1.00 0.00 C ATOM 330 C ALA A 21 19.979 -5.430 4.261 1.00 0.00 C ATOM 331 O ALA A 21 18.835 -5.472 4.710 1.00 0.00 O ATOM 332 CB ALA A 21 19.808 -5.523 1.746 1.00 0.00 C ATOM 0 H ALA A 21 22.198 -5.042 2.254 1.00 0.00 H new ATOM 0 HA ALA A 21 19.681 -3.770 2.964 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.747 -5.756 1.838 1.00 0.00 H new ATOM 0 HB2 ALA A 21 19.977 -4.954 0.831 1.00 0.00 H new ATOM 0 HB3 ALA A 21 20.381 -6.450 1.708 1.00 0.00 H new ATOM 338 N PHE A 22 21.015 -6.009 4.884 1.00 0.00 N ATOM 339 CA PHE A 22 20.847 -6.673 6.166 1.00 0.00 C ATOM 340 C PHE A 22 20.748 -5.620 7.260 1.00 0.00 C ATOM 341 O PHE A 22 19.999 -5.785 8.217 1.00 0.00 O ATOM 342 CB PHE A 22 22.013 -7.626 6.432 1.00 0.00 C ATOM 343 CG PHE A 22 21.834 -8.417 7.708 1.00 0.00 C ATOM 344 CD1 PHE A 22 20.788 -9.347 7.810 1.00 0.00 C ATOM 345 CD2 PHE A 22 22.701 -8.218 8.789 1.00 0.00 C ATOM 346 CE1 PHE A 22 20.612 -10.074 8.993 1.00 0.00 C ATOM 347 CE2 PHE A 22 22.523 -8.947 9.973 1.00 0.00 C ATOM 348 CZ PHE A 22 21.480 -9.876 10.076 1.00 0.00 C ATOM 0 H PHE A 22 21.967 -6.027 4.518 1.00 0.00 H new ATOM 0 HA PHE A 22 19.932 -7.265 6.154 1.00 0.00 H new ATOM 0 HB2 PHE A 22 22.114 -8.314 5.593 1.00 0.00 H new ATOM 0 HB3 PHE A 22 22.939 -7.055 6.489 1.00 0.00 H new ATOM 0 HD1 PHE A 22 20.119 -9.502 6.976 1.00 0.00 H new ATOM 0 HD2 PHE A 22 23.507 -7.503 8.711 1.00 0.00 H new ATOM 0 HE1 PHE A 22 19.806 -10.789 9.072 1.00 0.00 H new ATOM 0 HE2 PHE A 22 23.191 -8.792 10.807 1.00 0.00 H new ATOM 0 HZ PHE A 22 21.345 -10.439 10.988 1.00 0.00 H new ATOM 358 N ASN A 23 21.499 -4.524 7.123 1.00 0.00 N ATOM 359 CA ASN A 23 21.436 -3.417 8.065 1.00 0.00 C ATOM 360 C ASN A 23 20.034 -2.813 8.065 1.00 0.00 C ATOM 361 O ASN A 23 19.503 -2.463 9.117 1.00 0.00 O ATOM 362 CB ASN A 23 22.469 -2.383 7.625 1.00 0.00 C ATOM 363 CG ASN A 23 22.245 -1.031 8.280 1.00 0.00 C ATOM 364 OD1 ASN A 23 22.631 -0.809 9.424 1.00 0.00 O ATOM 365 ND2 ASN A 23 21.613 -0.120 7.548 1.00 0.00 N ATOM 0 H ASN A 23 22.161 -4.385 6.360 1.00 0.00 H new ATOM 0 HA ASN A 23 21.651 -3.755 9.079 1.00 0.00 H new ATOM 0 HB2 ASN A 23 23.468 -2.743 7.871 1.00 0.00 H new ATOM 0 HB3 ASN A 23 22.429 -2.271 6.542 1.00 0.00 H new ATOM 0 HD21 ASN A 23 21.431 0.807 7.933 1.00 0.00 H new ATOM 0 HD22 ASN A 23 21.310 -0.348 6.601 1.00 0.00 H new ATOM 372 N LEU A 24 19.444 -2.697 6.875 1.00 0.00 N ATOM 373 CA LEU A 24 18.091 -2.182 6.720 1.00 0.00 C ATOM 374 C LEU A 24 17.050 -3.225 7.127 1.00 0.00 C ATOM 375 O LEU A 24 15.903 -2.878 7.398 1.00 0.00 O ATOM 376 CB LEU A 24 17.890 -1.763 5.265 1.00 0.00 C ATOM 377 CG LEU A 24 18.834 -0.629 4.850 1.00 0.00 C ATOM 378 CD1 LEU A 24 18.685 -0.378 3.353 1.00 0.00 C ATOM 379 CD2 LEU A 24 18.509 0.660 5.605 1.00 0.00 C ATOM 0 H LEU A 24 19.892 -2.957 5.996 1.00 0.00 H new ATOM 0 HA LEU A 24 17.959 -1.321 7.375 1.00 0.00 H new ATOM 0 HB2 LEU A 24 18.052 -2.623 4.616 1.00 0.00 H new ATOM 0 HB3 LEU A 24 16.858 -1.445 5.120 1.00 0.00 H new ATOM 0 HG LEU A 24 19.856 -0.924 5.089 1.00 0.00 H new ATOM 0 HD11 LEU A 24 19.354 0.428 3.051 1.00 0.00 H new ATOM 0 HD12 LEU A 24 18.939 -1.285 2.805 1.00 0.00 H new ATOM 0 HD13 LEU A 24 17.655 -0.097 3.132 1.00 0.00 H new ATOM 0 HD21 LEU A 24 19.194 1.448 5.291 1.00 0.00 H new ATOM 0 HD22 LEU A 24 17.485 0.961 5.386 1.00 0.00 H new ATOM 0 HD23 LEU A 24 18.617 0.491 6.676 1.00 0.00 H new ATOM 391 N LEU A 25 17.441 -4.503 7.172 1.00 0.00 N ATOM 392 CA LEU A 25 16.549 -5.569 7.592 1.00 0.00 C ATOM 393 C LEU A 25 16.517 -5.692 9.110 1.00 0.00 C ATOM 394 O LEU A 25 15.437 -5.763 9.691 1.00 0.00 O ATOM 395 CB LEU A 25 16.991 -6.874 6.921 1.00 0.00 C ATOM 396 CG LEU A 25 16.134 -8.078 7.324 1.00 0.00 C ATOM 397 CD1 LEU A 25 14.670 -7.887 6.934 1.00 0.00 C ATOM 398 CD2 LEU A 25 16.669 -9.317 6.614 1.00 0.00 C ATOM 0 H LEU A 25 18.378 -4.817 6.919 1.00 0.00 H new ATOM 0 HA LEU A 25 15.530 -5.340 7.281 1.00 0.00 H new ATOM 0 HB2 LEU A 25 16.948 -6.751 5.839 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.031 -7.074 7.179 1.00 0.00 H new ATOM 0 HG LEU A 25 16.187 -8.187 8.407 1.00 0.00 H new ATOM 0 HD11 LEU A 25 14.096 -8.762 7.237 1.00 0.00 H new ATOM 0 HD12 LEU A 25 14.273 -7.002 7.432 1.00 0.00 H new ATOM 0 HD13 LEU A 25 14.595 -7.760 5.854 1.00 0.00 H new ATOM 0 HD21 LEU A 25 16.068 -10.183 6.891 1.00 0.00 H new ATOM 0 HD22 LEU A 25 16.616 -9.169 5.535 1.00 0.00 H new ATOM 0 HD23 LEU A 25 17.705 -9.485 6.907 1.00 0.00 H new ATOM 410 N VAL A 26 17.680 -5.718 9.771 1.00 0.00 N ATOM 411 CA VAL A 26 17.698 -5.930 11.210 1.00 0.00 C ATOM 412 C VAL A 26 17.068 -4.764 11.956 1.00 0.00 C ATOM 413 O VAL A 26 16.591 -4.967 13.063 1.00 0.00 O ATOM 414 CB VAL A 26 19.109 -6.181 11.750 1.00 0.00 C ATOM 415 CG1 VAL A 26 19.763 -7.370 11.052 1.00 0.00 C ATOM 416 CG2 VAL A 26 19.992 -4.943 11.635 1.00 0.00 C ATOM 0 H VAL A 26 18.596 -5.597 9.340 1.00 0.00 H new ATOM 0 HA VAL A 26 17.105 -6.828 11.385 1.00 0.00 H new ATOM 0 HB VAL A 26 19.006 -6.416 12.809 1.00 0.00 H new ATOM 0 HG11 VAL A 26 20.764 -7.524 11.456 1.00 0.00 H new ATOM 0 HG12 VAL A 26 19.163 -8.265 11.218 1.00 0.00 H new ATOM 0 HG13 VAL A 26 19.830 -7.172 9.982 1.00 0.00 H new ATOM 0 HG21 VAL A 26 20.984 -5.165 12.029 1.00 0.00 H new ATOM 0 HG22 VAL A 26 20.075 -4.651 10.588 1.00 0.00 H new ATOM 0 HG23 VAL A 26 19.550 -4.126 12.205 1.00 0.00 H new ATOM 426 N VAL A 27 17.049 -3.554 11.387 1.00 0.00 N ATOM 427 CA VAL A 27 16.469 -2.416 12.092 1.00 0.00 C ATOM 428 C VAL A 27 14.946 -2.546 12.189 1.00 0.00 C ATOM 429 O VAL A 27 14.344 -2.007 13.118 1.00 0.00 O ATOM 430 CB VAL A 27 16.921 -1.104 11.440 1.00 0.00 C ATOM 431 CG1 VAL A 27 16.378 -0.966 10.020 1.00 0.00 C ATOM 432 CG2 VAL A 27 16.467 0.095 12.271 1.00 0.00 C ATOM 0 H VAL A 27 17.421 -3.344 10.461 1.00 0.00 H new ATOM 0 HA VAL A 27 16.836 -2.405 13.118 1.00 0.00 H new ATOM 0 HB VAL A 27 18.010 -1.126 11.395 1.00 0.00 H new ATOM 0 HG11 VAL A 27 16.719 -0.024 9.590 1.00 0.00 H new ATOM 0 HG12 VAL A 27 16.738 -1.795 9.411 1.00 0.00 H new ATOM 0 HG13 VAL A 27 15.288 -0.980 10.044 1.00 0.00 H new ATOM 0 HG21 VAL A 27 16.798 1.016 11.791 1.00 0.00 H new ATOM 0 HG22 VAL A 27 15.380 0.095 12.346 1.00 0.00 H new ATOM 0 HG23 VAL A 27 16.899 0.030 13.269 1.00 0.00 H new ATOM 442 N ARG A 28 14.313 -3.256 11.248 1.00 0.00 N ATOM 443 CA ARG A 28 12.874 -3.496 11.306 1.00 0.00 C ATOM 444 C ARG A 28 12.560 -4.428 12.471 1.00 0.00 C ATOM 445 O ARG A 28 11.495 -4.343 13.084 1.00 0.00 O ATOM 446 CB ARG A 28 12.399 -4.143 9.998 1.00 0.00 C ATOM 447 CG ARG A 28 12.880 -3.388 8.760 1.00 0.00 C ATOM 448 CD ARG A 28 12.366 -4.046 7.479 1.00 0.00 C ATOM 449 NE ARG A 28 10.909 -3.908 7.336 1.00 0.00 N ATOM 450 CZ ARG A 28 10.269 -3.845 6.164 1.00 0.00 C ATOM 451 NH1 ARG A 28 10.940 -3.899 5.015 1.00 0.00 N ATOM 452 NH2 ARG A 28 8.946 -3.727 6.134 1.00 0.00 N ATOM 0 H ARG A 28 14.777 -3.672 10.440 1.00 0.00 H new ATOM 0 HA ARG A 28 12.359 -2.545 11.446 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.758 -5.171 9.954 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.310 -4.185 9.993 1.00 0.00 H new ATOM 0 HG2 ARG A 28 12.537 -2.354 8.804 1.00 0.00 H new ATOM 0 HG3 ARG A 28 13.970 -3.362 8.747 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.859 -3.596 6.617 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.632 -5.103 7.483 1.00 0.00 H new ATOM 0 HE ARG A 28 10.350 -3.857 8.187 1.00 0.00 H new ATOM 0 HH11 ARG A 28 11.956 -3.990 5.021 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.438 -3.850 4.128 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.418 -3.684 7.006 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.458 -3.679 5.239 1.00 0.00 H new ATOM 466 N TYR A 29 13.498 -5.325 12.771 1.00 0.00 N ATOM 467 CA TYR A 29 13.335 -6.302 13.831 1.00 0.00 C ATOM 468 C TYR A 29 14.082 -5.915 15.102 1.00 0.00 C ATOM 469 O TYR A 29 13.899 -6.558 16.127 1.00 0.00 O ATOM 470 CB TYR A 29 13.782 -7.661 13.308 1.00 0.00 C ATOM 471 CG TYR A 29 12.865 -8.177 12.222 1.00 0.00 C ATOM 472 CD1 TYR A 29 13.061 -7.798 10.888 1.00 0.00 C ATOM 473 CD2 TYR A 29 11.807 -9.030 12.558 1.00 0.00 C ATOM 474 CE1 TYR A 29 12.182 -8.244 9.891 1.00 0.00 C ATOM 475 CE2 TYR A 29 10.931 -9.494 11.569 1.00 0.00 C ATOM 476 CZ TYR A 29 11.114 -9.099 10.229 1.00 0.00 C ATOM 477 OH TYR A 29 10.262 -9.542 9.260 1.00 0.00 O ATOM 0 H TYR A 29 14.391 -5.390 12.282 1.00 0.00 H new ATOM 0 HA TYR A 29 12.283 -6.343 14.113 1.00 0.00 H new ATOM 0 HB2 TYR A 29 14.798 -7.584 12.919 1.00 0.00 H new ATOM 0 HB3 TYR A 29 13.809 -8.376 14.131 1.00 0.00 H new ATOM 0 HD1 TYR A 29 13.892 -7.160 10.626 1.00 0.00 H new ATOM 0 HD2 TYR A 29 11.666 -9.332 13.585 1.00 0.00 H new ATOM 0 HE1 TYR A 29 12.323 -7.933 8.866 1.00 0.00 H new ATOM 0 HE2 TYR A 29 10.117 -10.153 11.833 1.00 0.00 H new ATOM 0 HH TYR A 29 9.583 -10.123 9.662 1.00 0.00 H new ATOM 487 N GLN A 30 14.918 -4.877 15.055 1.00 0.00 N ATOM 488 CA GLN A 30 15.734 -4.468 16.190 1.00 0.00 C ATOM 489 C GLN A 30 14.847 -4.054 17.358 1.00 0.00 C ATOM 490 O GLN A 30 15.249 -4.181 18.511 1.00 0.00 O ATOM 491 CB GLN A 30 16.647 -3.328 15.736 1.00 0.00 C ATOM 492 CG GLN A 30 17.640 -2.909 16.817 1.00 0.00 C ATOM 493 CD GLN A 30 18.628 -1.894 16.260 1.00 0.00 C ATOM 494 OE1 GLN A 30 18.637 -0.737 16.671 1.00 0.00 O ATOM 495 NE2 GLN A 30 19.468 -2.318 15.320 1.00 0.00 N ATOM 0 H GLN A 30 15.046 -4.298 14.225 1.00 0.00 H new ATOM 0 HA GLN A 30 16.349 -5.298 16.539 1.00 0.00 H new ATOM 0 HB2 GLN A 30 17.194 -3.637 14.845 1.00 0.00 H new ATOM 0 HB3 GLN A 30 16.038 -2.469 15.454 1.00 0.00 H new ATOM 0 HG2 GLN A 30 17.106 -2.480 17.665 1.00 0.00 H new ATOM 0 HG3 GLN A 30 18.176 -3.783 17.187 1.00 0.00 H new ATOM 0 HE21 GLN A 30 19.432 -3.287 15.003 1.00 0.00 H new ATOM 0 HE22 GLN A 30 20.149 -1.674 14.916 1.00 0.00 H new ATOM 504 N HIS A 31 13.639 -3.564 17.065 1.00 0.00 N ATOM 505 CA HIS A 31 12.680 -3.214 18.099 1.00 0.00 C ATOM 506 C HIS A 31 11.849 -4.433 18.501 1.00 0.00 C ATOM 507 O HIS A 31 11.435 -4.549 19.654 1.00 0.00 O ATOM 508 CB HIS A 31 11.781 -2.098 17.576 1.00 0.00 C ATOM 509 CG HIS A 31 12.538 -0.832 17.267 1.00 0.00 C ATOM 510 ND1 HIS A 31 12.896 0.144 18.200 1.00 0.00 N ATOM 511 CD2 HIS A 31 12.982 -0.457 16.030 1.00 0.00 C ATOM 512 CE1 HIS A 31 13.552 1.083 17.499 1.00 0.00 C ATOM 513 NE2 HIS A 31 13.619 0.749 16.196 1.00 0.00 N ATOM 0 H HIS A 31 13.308 -3.403 16.114 1.00 0.00 H new ATOM 0 HA HIS A 31 13.210 -2.870 18.987 1.00 0.00 H new ATOM 0 HB2 HIS A 31 11.272 -2.440 16.675 1.00 0.00 H new ATOM 0 HB3 HIS A 31 11.010 -1.883 18.315 1.00 0.00 H new ATOM 0 HD2 HIS A 31 12.857 -1.001 15.105 1.00 0.00 H new ATOM 0 HE1 HIS A 31 13.969 1.984 17.923 1.00 0.00 H new ATOM 0 HE2 HIS A 31 14.065 1.296 15.460 1.00 0.00 H new ATOM 521 N LYS A 32 11.606 -5.348 17.555 1.00 0.00 N ATOM 522 CA LYS A 32 10.792 -6.530 17.814 1.00 0.00 C ATOM 523 C LYS A 32 11.542 -7.585 18.624 1.00 0.00 C ATOM 524 O LYS A 32 10.969 -8.176 19.536 1.00 0.00 O ATOM 525 CB LYS A 32 10.308 -7.111 16.481 1.00 0.00 C ATOM 526 CG LYS A 32 9.439 -6.096 15.736 1.00 0.00 C ATOM 527 CD LYS A 32 9.000 -6.673 14.387 1.00 0.00 C ATOM 528 CE LYS A 32 8.043 -5.718 13.675 1.00 0.00 C ATOM 529 NZ LYS A 32 8.663 -4.403 13.429 1.00 0.00 N ATOM 0 H LYS A 32 11.965 -5.287 16.602 1.00 0.00 H new ATOM 0 HA LYS A 32 9.936 -6.227 18.417 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.164 -7.386 15.865 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.739 -8.023 16.661 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.564 -5.845 16.335 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.996 -5.172 15.582 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.874 -6.853 13.761 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.513 -7.636 14.539 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.731 -6.156 12.727 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.144 -5.589 14.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.270 -3.991 12.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.466 -3.771 14.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.691 -4.518 13.324 1.00 0.00 H new ATOM 543 N VAL A 33 12.818 -7.836 18.316 1.00 0.00 N ATOM 544 CA VAL A 33 13.574 -8.860 19.025 1.00 0.00 C ATOM 545 C VAL A 33 14.089 -8.330 20.356 1.00 0.00 C ATOM 546 O VAL A 33 14.322 -9.112 21.273 1.00 0.00 O ATOM 547 CB VAL A 33 14.726 -9.417 18.179 1.00 0.00 C ATOM 548 CG1 VAL A 33 14.219 -9.889 16.818 1.00 0.00 C ATOM 549 CG2 VAL A 33 15.853 -8.405 17.991 1.00 0.00 C ATOM 0 H VAL A 33 13.340 -7.348 17.588 1.00 0.00 H new ATOM 0 HA VAL A 33 12.890 -9.685 19.222 1.00 0.00 H new ATOM 0 HB VAL A 33 15.134 -10.266 18.727 1.00 0.00 H new ATOM 0 HG11 VAL A 33 15.053 -10.280 16.235 1.00 0.00 H new ATOM 0 HG12 VAL A 33 13.475 -10.673 16.959 1.00 0.00 H new ATOM 0 HG13 VAL A 33 13.767 -9.051 16.288 1.00 0.00 H new ATOM 0 HG21 VAL A 33 16.643 -8.849 17.385 1.00 0.00 H new ATOM 0 HG22 VAL A 33 15.466 -7.518 17.489 1.00 0.00 H new ATOM 0 HG23 VAL A 33 16.256 -8.124 18.964 1.00 0.00 H new ATOM 559 N ALA A 34 14.269 -7.010 20.482 1.00 0.00 N ATOM 560 CA ALA A 34 14.685 -6.425 21.746 1.00 0.00 C ATOM 561 C ALA A 34 13.559 -6.531 22.770 1.00 0.00 C ATOM 562 O ALA A 34 13.811 -6.508 23.973 1.00 0.00 O ATOM 563 CB ALA A 34 15.082 -4.968 21.529 1.00 0.00 C ATOM 0 H ALA A 34 14.133 -6.338 19.727 1.00 0.00 H new ATOM 0 HA ALA A 34 15.547 -6.970 22.130 1.00 0.00 H new ATOM 0 HB1 ALA A 34 15.394 -4.531 22.478 1.00 0.00 H new ATOM 0 HB2 ALA A 34 15.907 -4.918 20.818 1.00 0.00 H new ATOM 0 HB3 ALA A 34 14.230 -4.413 21.136 1.00 0.00 H new ATOM 569 N SER A 35 12.313 -6.649 22.300 1.00 0.00 N ATOM 570 CA SER A 35 11.162 -6.766 23.176 1.00 0.00 C ATOM 571 C SER A 35 11.080 -8.173 23.758 1.00 0.00 C ATOM 572 O SER A 35 10.840 -8.341 24.954 1.00 0.00 O ATOM 573 CB SER A 35 9.899 -6.449 22.380 1.00 0.00 C ATOM 574 OG SER A 35 8.779 -6.444 23.237 1.00 0.00 O ATOM 0 H SER A 35 12.083 -6.665 21.306 1.00 0.00 H new ATOM 0 HA SER A 35 11.260 -6.061 24.002 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.000 -5.479 21.893 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.761 -7.189 21.591 1.00 0.00 H new ATOM 0 HG SER A 35 7.972 -6.238 22.720 1.00 0.00 H new ATOM 580 N LEU A 36 11.281 -9.192 22.916 1.00 0.00 N ATOM 581 CA LEU A 36 11.172 -10.573 23.363 1.00 0.00 C ATOM 582 C LEU A 36 12.422 -11.030 24.111 1.00 0.00 C ATOM 583 O LEU A 36 12.336 -11.945 24.928 1.00 0.00 O ATOM 584 CB LEU A 36 10.827 -11.482 22.180 1.00 0.00 C ATOM 585 CG LEU A 36 11.942 -11.634 21.141 1.00 0.00 C ATOM 586 CD1 LEU A 36 12.961 -12.713 21.509 1.00 0.00 C ATOM 587 CD2 LEU A 36 11.320 -12.051 19.812 1.00 0.00 C ATOM 0 H LEU A 36 11.518 -9.082 21.930 1.00 0.00 H new ATOM 0 HA LEU A 36 10.356 -10.641 24.083 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.568 -12.470 22.562 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.939 -11.089 21.685 1.00 0.00 H new ATOM 0 HG LEU A 36 12.454 -10.673 21.089 1.00 0.00 H new ATOM 0 HD11 LEU A 36 13.725 -12.772 20.734 1.00 0.00 H new ATOM 0 HD12 LEU A 36 13.429 -12.462 22.461 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.457 -13.675 21.595 1.00 0.00 H new ATOM 0 HD21 LEU A 36 12.104 -12.163 19.063 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.799 -13.000 19.936 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.613 -11.288 19.486 1.00 0.00 H new ATOM 599 N VAL A 37 13.577 -10.412 23.844 1.00 0.00 N ATOM 600 CA VAL A 37 14.825 -10.813 24.478 1.00 0.00 C ATOM 601 C VAL A 37 15.045 -10.082 25.798 1.00 0.00 C ATOM 602 O VAL A 37 15.846 -10.525 26.621 1.00 0.00 O ATOM 603 CB VAL A 37 15.984 -10.658 23.490 1.00 0.00 C ATOM 604 CG1 VAL A 37 16.458 -9.216 23.384 1.00 0.00 C ATOM 605 CG2 VAL A 37 17.169 -11.517 23.913 1.00 0.00 C ATOM 0 H VAL A 37 13.668 -9.633 23.192 1.00 0.00 H new ATOM 0 HA VAL A 37 14.770 -11.869 24.743 1.00 0.00 H new ATOM 0 HB VAL A 37 15.606 -10.979 22.519 1.00 0.00 H new ATOM 0 HG11 VAL A 37 17.281 -9.155 22.672 1.00 0.00 H new ATOM 0 HG12 VAL A 37 15.636 -8.587 23.043 1.00 0.00 H new ATOM 0 HG13 VAL A 37 16.797 -8.872 24.361 1.00 0.00 H new ATOM 0 HG21 VAL A 37 17.982 -11.393 23.198 1.00 0.00 H new ATOM 0 HG22 VAL A 37 17.506 -11.210 24.903 1.00 0.00 H new ATOM 0 HG23 VAL A 37 16.868 -12.564 23.941 1.00 0.00 H new ATOM 615 N SER A 38 14.338 -8.966 26.026 1.00 0.00 N ATOM 616 CA SER A 38 14.379 -8.280 27.310 1.00 0.00 C ATOM 617 C SER A 38 13.729 -9.151 28.391 1.00 0.00 C ATOM 618 O SER A 38 13.810 -8.845 29.578 1.00 0.00 O ATOM 619 CB SER A 38 13.675 -6.928 27.181 1.00 0.00 C ATOM 620 OG SER A 38 13.788 -6.192 28.382 1.00 0.00 O ATOM 0 H SER A 38 13.733 -8.525 25.333 1.00 0.00 H new ATOM 0 HA SER A 38 15.413 -8.104 27.606 1.00 0.00 H new ATOM 0 HB2 SER A 38 14.112 -6.362 26.359 1.00 0.00 H new ATOM 0 HB3 SER A 38 12.623 -7.081 26.940 1.00 0.00 H new ATOM 0 HG SER A 38 13.861 -6.810 29.139 1.00 0.00 H new ATOM 626 N ARG A 39 13.081 -10.251 27.978 1.00 0.00 N ATOM 627 CA ARG A 39 12.484 -11.218 28.889 1.00 0.00 C ATOM 628 C ARG A 39 13.500 -12.275 29.330 1.00 0.00 C ATOM 629 O ARG A 39 13.193 -13.086 30.207 1.00 0.00 O ATOM 630 CB ARG A 39 11.298 -11.904 28.208 1.00 0.00 C ATOM 631 CG ARG A 39 10.280 -10.894 27.674 1.00 0.00 C ATOM 632 CD ARG A 39 9.091 -11.633 27.061 1.00 0.00 C ATOM 633 NE ARG A 39 9.518 -12.506 25.960 1.00 0.00 N ATOM 634 CZ ARG A 39 8.700 -13.332 25.301 1.00 0.00 C ATOM 635 NH1 ARG A 39 7.405 -13.397 25.603 1.00 0.00 N ATOM 636 NH2 ARG A 39 9.175 -14.100 24.326 1.00 0.00 N ATOM 0 H ARG A 39 12.960 -10.489 26.994 1.00 0.00 H new ATOM 0 HA ARG A 39 12.146 -10.680 29.775 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.660 -12.523 27.387 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.809 -12.571 28.918 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.940 -10.245 28.481 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.747 -10.254 26.926 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.594 -12.227 27.828 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.361 -10.911 26.694 1.00 0.00 H new ATOM 0 HE ARG A 39 10.499 -12.480 25.681 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.025 -12.811 26.346 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.793 -14.032 25.091 1.00 0.00 H new ATOM 0 HH21 ARG A 39 10.164 -14.059 24.081 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.550 -14.730 23.823 1.00 0.00 H new ATOM 650 N TYR A 40 14.698 -12.280 28.733 1.00 0.00 N ATOM 651 CA TYR A 40 15.711 -13.290 29.014 1.00 0.00 C ATOM 652 C TYR A 40 17.009 -12.670 29.542 1.00 0.00 C ATOM 653 O TYR A 40 17.859 -13.389 30.063 1.00 0.00 O ATOM 654 CB TYR A 40 15.955 -14.112 27.747 1.00 0.00 C ATOM 655 CG TYR A 40 14.734 -14.871 27.264 1.00 0.00 C ATOM 656 CD1 TYR A 40 14.289 -15.999 27.968 1.00 0.00 C ATOM 657 CD2 TYR A 40 14.042 -14.442 26.119 1.00 0.00 C ATOM 658 CE1 TYR A 40 13.149 -16.693 27.537 1.00 0.00 C ATOM 659 CE2 TYR A 40 12.902 -15.131 25.680 1.00 0.00 C ATOM 660 CZ TYR A 40 12.450 -16.258 26.394 1.00 0.00 C ATOM 661 OH TYR A 40 11.340 -16.932 25.978 1.00 0.00 O ATOM 0 H TYR A 40 14.986 -11.584 28.045 1.00 0.00 H new ATOM 0 HA TYR A 40 15.346 -13.945 29.805 1.00 0.00 H new ATOM 0 HB2 TYR A 40 16.295 -13.446 26.953 1.00 0.00 H new ATOM 0 HB3 TYR A 40 16.761 -14.821 27.935 1.00 0.00 H new ATOM 0 HD1 TYR A 40 14.825 -16.334 28.844 1.00 0.00 H new ATOM 0 HD2 TYR A 40 14.390 -13.577 25.574 1.00 0.00 H new ATOM 0 HE1 TYR A 40 12.807 -17.561 28.081 1.00 0.00 H new ATOM 0 HE2 TYR A 40 12.373 -14.799 24.799 1.00 0.00 H new ATOM 0 HH TYR A 40 10.977 -16.501 25.176 1.00 0.00 H new ATOM 671 N VAL A 41 17.164 -11.348 29.413 1.00 0.00 N ATOM 672 CA VAL A 41 18.291 -10.597 29.961 1.00 0.00 C ATOM 673 C VAL A 41 17.801 -9.224 30.428 1.00 0.00 C ATOM 674 O VAL A 41 16.801 -8.726 29.912 1.00 0.00 O ATOM 675 CB VAL A 41 19.420 -10.427 28.932 1.00 0.00 C ATOM 676 CG1 VAL A 41 20.208 -11.727 28.772 1.00 0.00 C ATOM 677 CG2 VAL A 41 18.898 -9.980 27.569 1.00 0.00 C ATOM 0 H VAL A 41 16.495 -10.762 28.914 1.00 0.00 H new ATOM 0 HA VAL A 41 18.697 -11.158 30.802 1.00 0.00 H new ATOM 0 HB VAL A 41 20.076 -9.646 29.316 1.00 0.00 H new ATOM 0 HG11 VAL A 41 21.002 -11.583 28.039 1.00 0.00 H new ATOM 0 HG12 VAL A 41 20.645 -12.008 29.730 1.00 0.00 H new ATOM 0 HG13 VAL A 41 19.540 -12.518 28.433 1.00 0.00 H new ATOM 0 HG21 VAL A 41 19.733 -9.874 26.877 1.00 0.00 H new ATOM 0 HG22 VAL A 41 18.200 -10.724 27.185 1.00 0.00 H new ATOM 0 HG23 VAL A 41 18.387 -9.022 27.671 1.00 0.00 H new ATOM 687 N PRO A 42 18.490 -8.604 31.397 1.00 0.00 N ATOM 688 CA PRO A 42 18.129 -7.296 31.925 1.00 0.00 C ATOM 689 C PRO A 42 18.355 -6.206 30.880 1.00 0.00 C ATOM 690 O PRO A 42 19.046 -6.426 29.884 1.00 0.00 O ATOM 691 CB PRO A 42 19.026 -7.099 33.149 1.00 0.00 C ATOM 692 CG PRO A 42 20.268 -7.910 32.790 1.00 0.00 C ATOM 693 CD PRO A 42 19.676 -9.112 32.061 1.00 0.00 C ATOM 0 HA PRO A 42 17.074 -7.236 32.191 1.00 0.00 H new ATOM 0 HB2 PRO A 42 19.262 -6.048 33.312 1.00 0.00 H new ATOM 0 HB3 PRO A 42 18.553 -7.465 34.060 1.00 0.00 H new ATOM 0 HG2 PRO A 42 20.952 -7.346 32.155 1.00 0.00 H new ATOM 0 HG3 PRO A 42 20.828 -8.208 33.676 1.00 0.00 H new ATOM 0 HD2 PRO A 42 20.384 -9.525 31.342 1.00 0.00 H new ATOM 0 HD3 PRO A 42 19.426 -9.912 32.758 1.00 0.00 H new ATOM 701 N SER A 43 17.776 -5.026 31.108 1.00 0.00 N ATOM 702 CA SER A 43 17.820 -3.923 30.158 1.00 0.00 C ATOM 703 C SER A 43 19.232 -3.367 29.972 1.00 0.00 C ATOM 704 O SER A 43 19.457 -2.563 29.069 1.00 0.00 O ATOM 705 CB SER A 43 16.867 -2.820 30.617 1.00 0.00 C ATOM 706 OG SER A 43 17.243 -2.363 31.900 1.00 0.00 O ATOM 0 H SER A 43 17.262 -4.812 31.962 1.00 0.00 H new ATOM 0 HA SER A 43 17.505 -4.306 29.187 1.00 0.00 H new ATOM 0 HB2 SER A 43 16.885 -1.993 29.907 1.00 0.00 H new ATOM 0 HB3 SER A 43 15.845 -3.197 30.641 1.00 0.00 H new ATOM 0 HG SER A 43 16.630 -1.655 32.188 1.00 0.00 H new ATOM 712 N GLY A 44 20.188 -3.783 30.809 1.00 0.00 N ATOM 713 CA GLY A 44 21.572 -3.348 30.685 1.00 0.00 C ATOM 714 C GLY A 44 22.375 -4.249 29.746 1.00 0.00 C ATOM 715 O GLY A 44 23.427 -3.841 29.259 1.00 0.00 O ATOM 0 H GLY A 44 20.021 -4.425 31.583 1.00 0.00 H new ATOM 0 HA2 GLY A 44 21.598 -2.323 30.314 1.00 0.00 H new ATOM 0 HA3 GLY A 44 22.040 -3.342 31.670 1.00 0.00 H new ATOM 719 N ASP A 45 21.887 -5.469 29.491 1.00 0.00 N ATOM 720 CA ASP A 45 22.559 -6.424 28.619 1.00 0.00 C ATOM 721 C ASP A 45 21.720 -6.746 27.385 1.00 0.00 C ATOM 722 O ASP A 45 22.179 -7.458 26.493 1.00 0.00 O ATOM 723 CB ASP A 45 22.876 -7.692 29.410 1.00 0.00 C ATOM 724 CG ASP A 45 23.844 -7.422 30.558 1.00 0.00 C ATOM 725 OD1 ASP A 45 24.927 -6.857 30.282 1.00 0.00 O ATOM 726 OD2 ASP A 45 23.501 -7.781 31.706 1.00 0.00 O ATOM 0 H ASP A 45 21.014 -5.817 29.887 1.00 0.00 H new ATOM 0 HA ASP A 45 23.488 -5.978 28.263 1.00 0.00 H new ATOM 0 HB2 ASP A 45 21.952 -8.113 29.806 1.00 0.00 H new ATOM 0 HB3 ASP A 45 23.305 -8.438 28.742 1.00 0.00 H new ATOM 731 N VAL A 46 20.490 -6.224 27.319 1.00 0.00 N ATOM 732 CA VAL A 46 19.594 -6.511 26.210 1.00 0.00 C ATOM 733 C VAL A 46 20.074 -5.943 24.865 1.00 0.00 C ATOM 734 O VAL A 46 19.803 -6.577 23.849 1.00 0.00 O ATOM 735 CB VAL A 46 18.169 -6.063 26.570 1.00 0.00 C ATOM 736 CG1 VAL A 46 17.954 -4.555 26.488 1.00 0.00 C ATOM 737 CG2 VAL A 46 17.160 -6.736 25.652 1.00 0.00 C ATOM 0 H VAL A 46 20.099 -5.601 28.025 1.00 0.00 H new ATOM 0 HA VAL A 46 19.593 -7.590 26.057 1.00 0.00 H new ATOM 0 HB VAL A 46 18.026 -6.360 27.609 1.00 0.00 H new ATOM 0 HG11 VAL A 46 16.924 -4.319 26.756 1.00 0.00 H new ATOM 0 HG12 VAL A 46 18.633 -4.053 27.177 1.00 0.00 H new ATOM 0 HG13 VAL A 46 18.151 -4.214 25.472 1.00 0.00 H new ATOM 0 HG21 VAL A 46 16.154 -6.411 25.917 1.00 0.00 H new ATOM 0 HG22 VAL A 46 17.370 -6.462 24.618 1.00 0.00 H new ATOM 0 HG23 VAL A 46 17.233 -7.818 25.763 1.00 0.00 H new ATOM 747 N PRO A 47 20.767 -4.796 24.784 1.00 0.00 N ATOM 748 CA PRO A 47 21.142 -4.241 23.492 1.00 0.00 C ATOM 749 C PRO A 47 22.325 -4.991 22.884 1.00 0.00 C ATOM 750 O PRO A 47 22.488 -4.999 21.665 1.00 0.00 O ATOM 751 CB PRO A 47 21.506 -2.790 23.779 1.00 0.00 C ATOM 752 CG PRO A 47 22.095 -2.864 25.180 1.00 0.00 C ATOM 753 CD PRO A 47 21.229 -3.927 25.857 1.00 0.00 C ATOM 0 HA PRO A 47 20.333 -4.327 22.766 1.00 0.00 H new ATOM 0 HB2 PRO A 47 22.225 -2.403 23.057 1.00 0.00 H new ATOM 0 HB3 PRO A 47 20.633 -2.138 23.741 1.00 0.00 H new ATOM 0 HG2 PRO A 47 23.146 -3.151 25.162 1.00 0.00 H new ATOM 0 HG3 PRO A 47 22.035 -1.905 25.695 1.00 0.00 H new ATOM 0 HD2 PRO A 47 21.802 -4.487 26.596 1.00 0.00 H new ATOM 0 HD3 PRO A 47 20.389 -3.472 26.382 1.00 0.00 H new ATOM 761 N ASP A 48 23.157 -5.620 23.715 1.00 0.00 N ATOM 762 CA ASP A 48 24.328 -6.332 23.231 1.00 0.00 C ATOM 763 C ASP A 48 23.944 -7.727 22.743 1.00 0.00 C ATOM 764 O ASP A 48 24.575 -8.264 21.832 1.00 0.00 O ATOM 765 CB ASP A 48 25.354 -6.421 24.360 1.00 0.00 C ATOM 766 CG ASP A 48 26.672 -7.003 23.860 1.00 0.00 C ATOM 767 OD1 ASP A 48 27.345 -6.308 23.067 1.00 0.00 O ATOM 768 OD2 ASP A 48 27.002 -8.137 24.277 1.00 0.00 O ATOM 0 H ASP A 48 23.037 -5.648 24.727 1.00 0.00 H new ATOM 0 HA ASP A 48 24.760 -5.792 22.388 1.00 0.00 H new ATOM 0 HB2 ASP A 48 25.526 -5.429 24.778 1.00 0.00 H new ATOM 0 HB3 ASP A 48 24.961 -7.042 25.165 1.00 0.00 H new ATOM 773 N VAL A 49 22.907 -8.312 23.345 1.00 0.00 N ATOM 774 CA VAL A 49 22.417 -9.620 22.946 1.00 0.00 C ATOM 775 C VAL A 49 21.631 -9.504 21.645 1.00 0.00 C ATOM 776 O VAL A 49 21.564 -10.462 20.880 1.00 0.00 O ATOM 777 CB VAL A 49 21.567 -10.193 24.084 1.00 0.00 C ATOM 778 CG1 VAL A 49 20.858 -11.481 23.673 1.00 0.00 C ATOM 779 CG2 VAL A 49 22.464 -10.512 25.279 1.00 0.00 C ATOM 0 H VAL A 49 22.390 -7.891 24.117 1.00 0.00 H new ATOM 0 HA VAL A 49 23.247 -10.302 22.760 1.00 0.00 H new ATOM 0 HB VAL A 49 20.818 -9.443 24.338 1.00 0.00 H new ATOM 0 HG11 VAL A 49 20.266 -11.853 24.509 1.00 0.00 H new ATOM 0 HG12 VAL A 49 20.202 -11.281 22.825 1.00 0.00 H new ATOM 0 HG13 VAL A 49 21.598 -12.230 23.390 1.00 0.00 H new ATOM 0 HG21 VAL A 49 21.859 -10.920 26.089 1.00 0.00 H new ATOM 0 HG22 VAL A 49 23.216 -11.243 24.984 1.00 0.00 H new ATOM 0 HG23 VAL A 49 22.957 -9.601 25.617 1.00 0.00 H new ATOM 789 N VAL A 50 21.036 -8.335 21.377 1.00 0.00 N ATOM 790 CA VAL A 50 20.354 -8.085 20.113 1.00 0.00 C ATOM 791 C VAL A 50 21.387 -7.940 19.003 1.00 0.00 C ATOM 792 O VAL A 50 21.140 -8.369 17.877 1.00 0.00 O ATOM 793 CB VAL A 50 19.495 -6.823 20.235 1.00 0.00 C ATOM 794 CG1 VAL A 50 18.986 -6.352 18.874 1.00 0.00 C ATOM 795 CG2 VAL A 50 18.283 -7.122 21.112 1.00 0.00 C ATOM 0 H VAL A 50 21.016 -7.548 22.025 1.00 0.00 H new ATOM 0 HA VAL A 50 19.699 -8.922 19.869 1.00 0.00 H new ATOM 0 HB VAL A 50 20.118 -6.041 20.670 1.00 0.00 H new ATOM 0 HG11 VAL A 50 18.381 -5.455 19.003 1.00 0.00 H new ATOM 0 HG12 VAL A 50 19.834 -6.128 18.226 1.00 0.00 H new ATOM 0 HG13 VAL A 50 18.380 -7.136 18.421 1.00 0.00 H new ATOM 0 HG21 VAL A 50 17.669 -6.226 21.201 1.00 0.00 H new ATOM 0 HG22 VAL A 50 17.695 -7.921 20.660 1.00 0.00 H new ATOM 0 HG23 VAL A 50 18.618 -7.433 22.102 1.00 0.00 H new ATOM 805 N GLN A 51 22.541 -7.344 19.306 1.00 0.00 N ATOM 806 CA GLN A 51 23.593 -7.189 18.315 1.00 0.00 C ATOM 807 C GLN A 51 24.236 -8.541 18.027 1.00 0.00 C ATOM 808 O GLN A 51 24.486 -8.859 16.870 1.00 0.00 O ATOM 809 CB GLN A 51 24.617 -6.174 18.821 1.00 0.00 C ATOM 810 CG GLN A 51 25.721 -5.960 17.784 1.00 0.00 C ATOM 811 CD GLN A 51 26.689 -4.859 18.199 1.00 0.00 C ATOM 812 OE1 GLN A 51 26.548 -4.248 19.257 1.00 0.00 O ATOM 813 NE2 GLN A 51 27.693 -4.592 17.366 1.00 0.00 N ATOM 0 H GLN A 51 22.765 -6.964 20.226 1.00 0.00 H new ATOM 0 HA GLN A 51 23.175 -6.816 17.380 1.00 0.00 H new ATOM 0 HB2 GLN A 51 24.123 -5.226 19.035 1.00 0.00 H new ATOM 0 HB3 GLN A 51 25.053 -6.524 19.757 1.00 0.00 H new ATOM 0 HG2 GLN A 51 26.270 -6.891 17.642 1.00 0.00 H new ATOM 0 HG3 GLN A 51 25.272 -5.705 16.824 1.00 0.00 H new ATOM 0 HE21 GLN A 51 27.786 -5.115 16.495 1.00 0.00 H new ATOM 0 HE22 GLN A 51 28.369 -3.865 17.599 1.00 0.00 H new ATOM 822 N GLU A 52 24.506 -9.341 19.060 1.00 0.00 N ATOM 823 CA GLU A 52 25.112 -10.647 18.853 1.00 0.00 C ATOM 824 C GLU A 52 24.137 -11.571 18.127 1.00 0.00 C ATOM 825 O GLU A 52 24.564 -12.477 17.415 1.00 0.00 O ATOM 826 CB GLU A 52 25.535 -11.231 20.204 1.00 0.00 C ATOM 827 CG GLU A 52 26.231 -12.578 20.012 1.00 0.00 C ATOM 828 CD GLU A 52 26.884 -13.049 21.311 1.00 0.00 C ATOM 829 OE1 GLU A 52 27.951 -12.497 21.659 1.00 0.00 O ATOM 830 OE2 GLU A 52 26.309 -13.958 21.953 1.00 0.00 O ATOM 0 H GLU A 52 24.316 -9.107 20.034 1.00 0.00 H new ATOM 0 HA GLU A 52 25.999 -10.546 18.228 1.00 0.00 H new ATOM 0 HB2 GLU A 52 26.205 -10.538 20.712 1.00 0.00 H new ATOM 0 HB3 GLU A 52 24.661 -11.355 20.843 1.00 0.00 H new ATOM 0 HG2 GLU A 52 25.507 -13.320 19.675 1.00 0.00 H new ATOM 0 HG3 GLU A 52 26.987 -12.492 19.231 1.00 0.00 H new ATOM 837 N ALA A 53 22.831 -11.349 18.295 1.00 0.00 N ATOM 838 CA ALA A 53 21.838 -12.153 17.615 1.00 0.00 C ATOM 839 C ALA A 53 21.774 -11.792 16.133 1.00 0.00 C ATOM 840 O ALA A 53 21.410 -12.637 15.322 1.00 0.00 O ATOM 841 CB ALA A 53 20.482 -11.963 18.289 1.00 0.00 C ATOM 0 H ALA A 53 22.447 -10.620 18.896 1.00 0.00 H new ATOM 0 HA ALA A 53 22.118 -13.204 17.683 1.00 0.00 H new ATOM 0 HB1 ALA A 53 19.733 -12.568 17.778 1.00 0.00 H new ATOM 0 HB2 ALA A 53 20.548 -12.272 19.332 1.00 0.00 H new ATOM 0 HB3 ALA A 53 20.195 -10.913 18.239 1.00 0.00 H new ATOM 847 N PHE A 54 22.124 -10.557 15.761 1.00 0.00 N ATOM 848 CA PHE A 54 22.133 -10.161 14.361 1.00 0.00 C ATOM 849 C PHE A 54 23.447 -10.552 13.693 1.00 0.00 C ATOM 850 O PHE A 54 23.460 -10.849 12.500 1.00 0.00 O ATOM 851 CB PHE A 54 21.876 -8.661 14.241 1.00 0.00 C ATOM 852 CG PHE A 54 20.472 -8.217 14.609 1.00 0.00 C ATOM 853 CD1 PHE A 54 19.368 -9.027 14.309 1.00 0.00 C ATOM 854 CD2 PHE A 54 20.274 -6.983 15.245 1.00 0.00 C ATOM 855 CE1 PHE A 54 18.074 -8.606 14.635 1.00 0.00 C ATOM 856 CE2 PHE A 54 18.974 -6.551 15.554 1.00 0.00 C ATOM 857 CZ PHE A 54 17.876 -7.365 15.251 1.00 0.00 C ATOM 0 H PHE A 54 22.403 -9.822 16.411 1.00 0.00 H new ATOM 0 HA PHE A 54 21.333 -10.690 13.842 1.00 0.00 H new ATOM 0 HB2 PHE A 54 22.586 -8.134 14.879 1.00 0.00 H new ATOM 0 HB3 PHE A 54 22.080 -8.354 13.215 1.00 0.00 H new ATOM 0 HD1 PHE A 54 19.517 -9.980 13.824 1.00 0.00 H new ATOM 0 HD2 PHE A 54 21.122 -6.364 15.497 1.00 0.00 H new ATOM 0 HE1 PHE A 54 17.228 -9.239 14.411 1.00 0.00 H new ATOM 0 HE2 PHE A 54 18.821 -5.591 16.025 1.00 0.00 H new ATOM 0 HZ PHE A 54 16.876 -7.035 15.493 1.00 0.00 H new ATOM 867 N ILE A 55 24.554 -10.563 14.442 1.00 0.00 N ATOM 868 CA ILE A 55 25.829 -11.010 13.899 1.00 0.00 C ATOM 869 C ILE A 55 25.761 -12.518 13.676 1.00 0.00 C ATOM 870 O ILE A 55 26.309 -13.030 12.702 1.00 0.00 O ATOM 871 CB ILE A 55 26.962 -10.647 14.866 1.00 0.00 C ATOM 872 CG1 ILE A 55 27.072 -9.119 15.009 1.00 0.00 C ATOM 873 CG2 ILE A 55 28.289 -11.217 14.357 1.00 0.00 C ATOM 874 CD1 ILE A 55 28.063 -8.718 16.103 1.00 0.00 C ATOM 0 H ILE A 55 24.588 -10.269 15.418 1.00 0.00 H new ATOM 0 HA ILE A 55 26.030 -10.517 12.948 1.00 0.00 H new ATOM 0 HB ILE A 55 26.739 -11.078 15.842 1.00 0.00 H new ATOM 0 HG12 ILE A 55 27.386 -8.687 14.059 1.00 0.00 H new ATOM 0 HG13 ILE A 55 26.090 -8.704 15.239 1.00 0.00 H new ATOM 0 HG21 ILE A 55 29.088 -10.954 15.050 1.00 0.00 H new ATOM 0 HG22 ILE A 55 28.215 -12.302 14.284 1.00 0.00 H new ATOM 0 HG23 ILE A 55 28.510 -10.801 13.374 1.00 0.00 H new ATOM 0 HD11 ILE A 55 28.110 -7.631 16.171 1.00 0.00 H new ATOM 0 HD12 ILE A 55 27.735 -9.127 17.059 1.00 0.00 H new ATOM 0 HD13 ILE A 55 29.051 -9.110 15.860 1.00 0.00 H new ATOM 886 N LYS A 56 25.084 -13.235 14.580 1.00 0.00 N ATOM 887 CA LYS A 56 24.928 -14.676 14.474 1.00 0.00 C ATOM 888 C LYS A 56 23.855 -15.034 13.450 1.00 0.00 C ATOM 889 O LYS A 56 23.970 -16.051 12.766 1.00 0.00 O ATOM 890 CB LYS A 56 24.585 -15.223 15.859 1.00 0.00 C ATOM 891 CG LYS A 56 24.613 -16.748 15.846 1.00 0.00 C ATOM 892 CD LYS A 56 24.409 -17.302 17.255 1.00 0.00 C ATOM 893 CE LYS A 56 22.980 -17.049 17.733 1.00 0.00 C ATOM 894 NZ LYS A 56 22.755 -17.656 19.058 1.00 0.00 N ATOM 0 H LYS A 56 24.633 -12.828 15.399 1.00 0.00 H new ATOM 0 HA LYS A 56 25.857 -15.128 14.125 1.00 0.00 H new ATOM 0 HB2 LYS A 56 25.297 -14.845 16.593 1.00 0.00 H new ATOM 0 HB3 LYS A 56 23.598 -14.873 16.162 1.00 0.00 H new ATOM 0 HG2 LYS A 56 23.833 -17.126 15.185 1.00 0.00 H new ATOM 0 HG3 LYS A 56 25.566 -17.096 15.447 1.00 0.00 H new ATOM 0 HD2 LYS A 56 24.617 -18.372 17.264 1.00 0.00 H new ATOM 0 HD3 LYS A 56 25.115 -16.834 17.941 1.00 0.00 H new ATOM 0 HE2 LYS A 56 22.793 -15.976 17.783 1.00 0.00 H new ATOM 0 HE3 LYS A 56 22.273 -17.462 17.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 22.140 -18.489 18.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 23.666 -17.946 19.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 22.300 -16.962 19.685 1.00 0.00 H new ATOM 908 N ALA A 57 22.812 -14.207 13.333 1.00 0.00 N ATOM 909 CA ALA A 57 21.756 -14.469 12.374 1.00 0.00 C ATOM 910 C ALA A 57 22.284 -14.353 10.952 1.00 0.00 C ATOM 911 O ALA A 57 21.909 -15.153 10.105 1.00 0.00 O ATOM 912 CB ALA A 57 20.601 -13.495 12.590 1.00 0.00 C ATOM 0 H ALA A 57 22.684 -13.361 13.888 1.00 0.00 H new ATOM 0 HA ALA A 57 21.394 -15.486 12.524 1.00 0.00 H new ATOM 0 HB1 ALA A 57 19.813 -13.699 11.865 1.00 0.00 H new ATOM 0 HB2 ALA A 57 20.207 -13.616 13.599 1.00 0.00 H new ATOM 0 HB3 ALA A 57 20.958 -12.473 12.460 1.00 0.00 H new ATOM 918 N TYR A 58 23.148 -13.373 10.670 1.00 0.00 N ATOM 919 CA TYR A 58 23.664 -13.187 9.324 1.00 0.00 C ATOM 920 C TYR A 58 24.516 -14.377 8.894 1.00 0.00 C ATOM 921 O TYR A 58 24.481 -14.779 7.730 1.00 0.00 O ATOM 922 CB TYR A 58 24.493 -11.906 9.294 1.00 0.00 C ATOM 923 CG TYR A 58 24.982 -11.542 7.912 1.00 0.00 C ATOM 924 CD1 TYR A 58 24.080 -11.041 6.958 1.00 0.00 C ATOM 925 CD2 TYR A 58 26.336 -11.707 7.587 1.00 0.00 C ATOM 926 CE1 TYR A 58 24.540 -10.681 5.684 1.00 0.00 C ATOM 927 CE2 TYR A 58 26.797 -11.353 6.313 1.00 0.00 C ATOM 928 CZ TYR A 58 25.902 -10.837 5.356 1.00 0.00 C ATOM 929 OH TYR A 58 26.357 -10.490 4.116 1.00 0.00 O ATOM 0 H TYR A 58 23.499 -12.704 11.355 1.00 0.00 H new ATOM 0 HA TYR A 58 22.830 -13.110 8.626 1.00 0.00 H new ATOM 0 HB2 TYR A 58 23.894 -11.085 9.688 1.00 0.00 H new ATOM 0 HB3 TYR A 58 25.351 -12.021 9.957 1.00 0.00 H new ATOM 0 HD1 TYR A 58 23.034 -10.934 7.206 1.00 0.00 H new ATOM 0 HD2 TYR A 58 27.023 -12.107 8.319 1.00 0.00 H new ATOM 0 HE1 TYR A 58 23.851 -10.284 4.953 1.00 0.00 H new ATOM 0 HE2 TYR A 58 27.841 -11.476 6.064 1.00 0.00 H new ATOM 0 HH TYR A 58 27.320 -10.662 4.061 1.00 0.00 H new ATOM 939 N ARG A 59 25.276 -14.948 9.833 1.00 0.00 N ATOM 940 CA ARG A 59 26.116 -16.111 9.574 1.00 0.00 C ATOM 941 C ARG A 59 25.263 -17.364 9.383 1.00 0.00 C ATOM 942 O ARG A 59 25.742 -18.358 8.842 1.00 0.00 O ATOM 943 CB ARG A 59 27.093 -16.300 10.731 1.00 0.00 C ATOM 944 CG ARG A 59 28.055 -15.120 10.816 1.00 0.00 C ATOM 945 CD ARG A 59 28.860 -15.222 12.109 1.00 0.00 C ATOM 946 NE ARG A 59 29.771 -16.375 12.090 1.00 0.00 N ATOM 947 CZ ARG A 59 30.989 -16.371 11.541 1.00 0.00 C ATOM 948 NH1 ARG A 59 31.468 -15.282 10.949 1.00 0.00 N ATOM 949 NH2 ARG A 59 31.740 -17.467 11.588 1.00 0.00 N ATOM 0 H ARG A 59 25.323 -14.613 10.795 1.00 0.00 H new ATOM 0 HA ARG A 59 26.677 -15.945 8.654 1.00 0.00 H new ATOM 0 HB2 ARG A 59 26.543 -16.396 11.667 1.00 0.00 H new ATOM 0 HB3 ARG A 59 27.654 -17.225 10.594 1.00 0.00 H new ATOM 0 HG2 ARG A 59 28.724 -15.118 9.956 1.00 0.00 H new ATOM 0 HG3 ARG A 59 27.501 -14.181 10.791 1.00 0.00 H new ATOM 0 HD2 ARG A 59 29.434 -14.307 12.254 1.00 0.00 H new ATOM 0 HD3 ARG A 59 28.179 -15.309 12.956 1.00 0.00 H new ATOM 0 HE ARG A 59 29.451 -17.239 12.527 1.00 0.00 H new ATOM 0 HH11 ARG A 59 30.904 -14.433 10.909 1.00 0.00 H new ATOM 0 HH12 ARG A 59 32.400 -15.295 10.535 1.00 0.00 H new ATOM 0 HH21 ARG A 59 31.386 -18.309 12.043 1.00 0.00 H new ATOM 0 HH22 ARG A 59 32.670 -17.466 11.169 1.00 0.00 H new ATOM 963 N ALA A 60 24.002 -17.317 9.824 1.00 0.00 N ATOM 964 CA ALA A 60 23.061 -18.412 9.658 1.00 0.00 C ATOM 965 C ALA A 60 22.048 -18.116 8.549 1.00 0.00 C ATOM 966 O ALA A 60 21.306 -19.004 8.134 1.00 0.00 O ATOM 967 CB ALA A 60 22.359 -18.654 10.996 1.00 0.00 C ATOM 0 H ALA A 60 23.610 -16.510 10.308 1.00 0.00 H new ATOM 0 HA ALA A 60 23.600 -19.310 9.357 1.00 0.00 H new ATOM 0 HB1 ALA A 60 21.648 -19.473 10.891 1.00 0.00 H new ATOM 0 HB2 ALA A 60 23.099 -18.911 11.754 1.00 0.00 H new ATOM 0 HB3 ALA A 60 21.829 -17.750 11.298 1.00 0.00 H new ATOM 973 N LEU A 61 22.013 -16.872 8.064 1.00 0.00 N ATOM 974 CA LEU A 61 21.070 -16.439 7.045 1.00 0.00 C ATOM 975 C LEU A 61 21.499 -16.961 5.675 1.00 0.00 C ATOM 976 O LEU A 61 20.675 -17.107 4.776 1.00 0.00 O ATOM 977 CB LEU A 61 21.014 -14.910 7.058 1.00 0.00 C ATOM 978 CG LEU A 61 19.827 -14.370 6.266 1.00 0.00 C ATOM 979 CD1 LEU A 61 18.514 -14.716 6.959 1.00 0.00 C ATOM 980 CD2 LEU A 61 19.948 -12.852 6.195 1.00 0.00 C ATOM 0 H LEU A 61 22.646 -16.135 8.374 1.00 0.00 H new ATOM 0 HA LEU A 61 20.078 -16.839 7.254 1.00 0.00 H new ATOM 0 HB2 LEU A 61 20.951 -14.559 8.088 1.00 0.00 H new ATOM 0 HB3 LEU A 61 21.939 -14.511 6.641 1.00 0.00 H new ATOM 0 HG LEU A 61 19.831 -14.815 5.271 1.00 0.00 H new ATOM 0 HD11 LEU A 61 17.681 -14.322 6.378 1.00 0.00 H new ATOM 0 HD12 LEU A 61 18.420 -15.799 7.040 1.00 0.00 H new ATOM 0 HD13 LEU A 61 18.502 -14.275 7.956 1.00 0.00 H new ATOM 0 HD21 LEU A 61 19.108 -12.446 5.632 1.00 0.00 H new ATOM 0 HD22 LEU A 61 19.942 -12.439 7.204 1.00 0.00 H new ATOM 0 HD23 LEU A 61 20.881 -12.584 5.698 1.00 0.00 H new ATOM 992 N ASP A 62 22.795 -17.247 5.521 1.00 0.00 N ATOM 993 CA ASP A 62 23.326 -17.854 4.312 1.00 0.00 C ATOM 994 C ASP A 62 22.835 -19.299 4.178 1.00 0.00 C ATOM 995 O ASP A 62 23.032 -19.932 3.141 1.00 0.00 O ATOM 996 CB ASP A 62 24.851 -17.790 4.373 1.00 0.00 C ATOM 997 CG ASP A 62 25.492 -18.314 3.091 1.00 0.00 C ATOM 998 OD1 ASP A 62 25.221 -17.719 2.025 1.00 0.00 O ATOM 999 OD2 ASP A 62 26.251 -19.306 3.183 1.00 0.00 O ATOM 0 H ASP A 62 23.500 -17.062 6.235 1.00 0.00 H new ATOM 0 HA ASP A 62 22.976 -17.312 3.433 1.00 0.00 H new ATOM 0 HB2 ASP A 62 25.165 -16.760 4.542 1.00 0.00 H new ATOM 0 HB3 ASP A 62 25.206 -18.374 5.222 1.00 0.00 H new ATOM 1004 N SER A 63 22.192 -19.820 5.228 1.00 0.00 N ATOM 1005 CA SER A 63 21.661 -21.174 5.270 1.00 0.00 C ATOM 1006 C SER A 63 20.132 -21.176 5.324 1.00 0.00 C ATOM 1007 O SER A 63 19.524 -22.238 5.455 1.00 0.00 O ATOM 1008 CB SER A 63 22.250 -21.907 6.473 1.00 0.00 C ATOM 1009 OG SER A 63 23.661 -21.920 6.388 1.00 0.00 O ATOM 0 H SER A 63 22.026 -19.296 6.087 1.00 0.00 H new ATOM 0 HA SER A 63 21.948 -21.692 4.355 1.00 0.00 H new ATOM 0 HB2 SER A 63 21.938 -21.418 7.396 1.00 0.00 H new ATOM 0 HB3 SER A 63 21.870 -22.928 6.509 1.00 0.00 H new ATOM 0 HG SER A 63 24.031 -22.390 7.164 1.00 0.00 H new ATOM 1015 N PHE A 64 19.500 -20.000 5.227 1.00 0.00 N ATOM 1016 CA PHE A 64 18.047 -19.892 5.229 1.00 0.00 C ATOM 1017 C PHE A 64 17.483 -20.423 3.912 1.00 0.00 C ATOM 1018 O PHE A 64 18.110 -20.263 2.863 1.00 0.00 O ATOM 1019 CB PHE A 64 17.658 -18.432 5.457 1.00 0.00 C ATOM 1020 CG PHE A 64 16.169 -18.188 5.560 1.00 0.00 C ATOM 1021 CD1 PHE A 64 15.447 -18.690 6.652 1.00 0.00 C ATOM 1022 CD2 PHE A 64 15.510 -17.457 4.561 1.00 0.00 C ATOM 1023 CE1 PHE A 64 14.069 -18.455 6.752 1.00 0.00 C ATOM 1024 CE2 PHE A 64 14.132 -17.222 4.663 1.00 0.00 C ATOM 1025 CZ PHE A 64 13.410 -17.718 5.758 1.00 0.00 C ATOM 0 H PHE A 64 19.983 -19.105 5.146 1.00 0.00 H new ATOM 0 HA PHE A 64 17.626 -20.494 6.034 1.00 0.00 H new ATOM 0 HB2 PHE A 64 18.135 -18.081 6.372 1.00 0.00 H new ATOM 0 HB3 PHE A 64 18.056 -17.831 4.639 1.00 0.00 H new ATOM 0 HD1 PHE A 64 15.954 -19.259 7.418 1.00 0.00 H new ATOM 0 HD2 PHE A 64 16.063 -17.076 3.715 1.00 0.00 H new ATOM 0 HE1 PHE A 64 13.515 -18.842 7.595 1.00 0.00 H new ATOM 0 HE2 PHE A 64 13.624 -16.657 3.895 1.00 0.00 H new ATOM 0 HZ PHE A 64 12.349 -17.533 5.835 1.00 0.00 H new ATOM 1099 N PHE A 70 10.361 -15.566 8.038 1.00 0.00 N ATOM 1100 CA PHE A 70 11.617 -14.985 8.479 1.00 0.00 C ATOM 1101 C PHE A 70 11.527 -14.467 9.910 1.00 0.00 C ATOM 1102 O PHE A 70 12.515 -14.526 10.641 1.00 0.00 O ATOM 1103 CB PHE A 70 12.018 -13.846 7.545 1.00 0.00 C ATOM 1104 CG PHE A 70 13.267 -13.133 8.013 1.00 0.00 C ATOM 1105 CD1 PHE A 70 14.500 -13.797 8.002 1.00 0.00 C ATOM 1106 CD2 PHE A 70 13.191 -11.810 8.472 1.00 0.00 C ATOM 1107 CE1 PHE A 70 15.651 -13.141 8.453 1.00 0.00 C ATOM 1108 CE2 PHE A 70 14.346 -11.152 8.915 1.00 0.00 C ATOM 1109 CZ PHE A 70 15.579 -11.818 8.903 1.00 0.00 C ATOM 0 HA PHE A 70 12.373 -15.770 8.452 1.00 0.00 H new ATOM 0 HB2 PHE A 70 12.182 -14.242 6.543 1.00 0.00 H new ATOM 0 HB3 PHE A 70 11.199 -13.131 7.475 1.00 0.00 H new ATOM 0 HD1 PHE A 70 14.563 -14.815 7.646 1.00 0.00 H new ATOM 0 HD2 PHE A 70 12.240 -11.297 8.484 1.00 0.00 H new ATOM 0 HE1 PHE A 70 16.599 -13.658 8.454 1.00 0.00 H new ATOM 0 HE2 PHE A 70 14.286 -10.132 9.265 1.00 0.00 H new ATOM 0 HZ PHE A 70 16.471 -11.311 9.240 1.00 0.00 H new ATOM 1119 N TYR A 71 10.368 -13.956 10.328 1.00 0.00 N ATOM 1120 CA TYR A 71 10.247 -13.414 11.671 1.00 0.00 C ATOM 1121 C TYR A 71 10.307 -14.528 12.709 1.00 0.00 C ATOM 1122 O TYR A 71 10.877 -14.337 13.781 1.00 0.00 O ATOM 1123 CB TYR A 71 8.967 -12.588 11.805 1.00 0.00 C ATOM 1124 CG TYR A 71 7.677 -13.370 11.686 1.00 0.00 C ATOM 1125 CD1 TYR A 71 7.128 -13.979 12.824 1.00 0.00 C ATOM 1126 CD2 TYR A 71 7.026 -13.477 10.449 1.00 0.00 C ATOM 1127 CE1 TYR A 71 5.929 -14.699 12.728 1.00 0.00 C ATOM 1128 CE2 TYR A 71 5.827 -14.199 10.344 1.00 0.00 C ATOM 1129 CZ TYR A 71 5.274 -14.810 11.485 1.00 0.00 C ATOM 1130 OH TYR A 71 4.108 -15.513 11.385 1.00 0.00 O ATOM 0 H TYR A 71 9.519 -13.908 9.765 1.00 0.00 H new ATOM 0 HA TYR A 71 11.090 -12.748 11.854 1.00 0.00 H new ATOM 0 HB2 TYR A 71 8.979 -12.084 12.771 1.00 0.00 H new ATOM 0 HB3 TYR A 71 8.974 -11.811 11.040 1.00 0.00 H new ATOM 0 HD1 TYR A 71 7.630 -13.893 13.776 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.448 -13.003 9.575 1.00 0.00 H new ATOM 0 HE1 TYR A 71 5.508 -15.168 13.605 1.00 0.00 H new ATOM 0 HE2 TYR A 71 5.330 -14.286 9.389 1.00 0.00 H new ATOM 0 HH TYR A 71 3.790 -15.488 10.458 1.00 0.00 H new ATOM 1140 N THR A 72 9.733 -15.697 12.410 1.00 0.00 N ATOM 1141 CA THR A 72 9.772 -16.825 13.331 1.00 0.00 C ATOM 1142 C THR A 72 11.189 -17.382 13.394 1.00 0.00 C ATOM 1143 O THR A 72 11.640 -17.845 14.444 1.00 0.00 O ATOM 1144 CB THR A 72 8.799 -17.908 12.857 1.00 0.00 C ATOM 1145 OG1 THR A 72 7.520 -17.353 12.649 1.00 0.00 O ATOM 1146 CG2 THR A 72 8.679 -19.028 13.884 1.00 0.00 C ATOM 0 H THR A 72 9.238 -15.882 11.538 1.00 0.00 H new ATOM 0 HA THR A 72 9.476 -16.495 14.327 1.00 0.00 H new ATOM 0 HB THR A 72 9.190 -18.316 11.925 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.538 -16.398 12.870 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.981 -19.782 13.520 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.657 -19.484 14.041 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.313 -18.620 14.826 1.00 0.00 H new ATOM 1154 N TRP A 73 11.894 -17.334 12.261 1.00 0.00 N ATOM 1155 CA TRP A 73 13.250 -17.833 12.152 1.00 0.00 C ATOM 1156 C TRP A 73 14.237 -16.888 12.838 1.00 0.00 C ATOM 1157 O TRP A 73 15.275 -17.333 13.317 1.00 0.00 O ATOM 1158 CB TRP A 73 13.583 -17.994 10.671 1.00 0.00 C ATOM 1159 CG TRP A 73 14.985 -18.420 10.390 1.00 0.00 C ATOM 1160 CD1 TRP A 73 15.396 -19.683 10.147 1.00 0.00 C ATOM 1161 CD2 TRP A 73 16.189 -17.596 10.316 1.00 0.00 C ATOM 1162 NE1 TRP A 73 16.760 -19.707 9.950 1.00 0.00 N ATOM 1163 CE2 TRP A 73 17.304 -18.446 10.070 1.00 0.00 C ATOM 1164 CE3 TRP A 73 16.451 -16.219 10.447 1.00 0.00 C ATOM 1165 CZ2 TRP A 73 18.612 -17.961 9.986 1.00 0.00 C ATOM 1166 CZ3 TRP A 73 17.758 -15.721 10.354 1.00 0.00 C ATOM 1167 CH2 TRP A 73 18.836 -16.588 10.140 1.00 0.00 C ATOM 0 H TRP A 73 11.529 -16.943 11.392 1.00 0.00 H new ATOM 0 HA TRP A 73 13.331 -18.797 12.654 1.00 0.00 H new ATOM 0 HB2 TRP A 73 12.901 -18.725 10.237 1.00 0.00 H new ATOM 0 HB3 TRP A 73 13.397 -17.046 10.166 1.00 0.00 H new ATOM 0 HD1 TRP A 73 14.750 -20.548 10.112 1.00 0.00 H new ATOM 0 HE1 TRP A 73 17.297 -20.549 9.742 1.00 0.00 H new ATOM 0 HE3 TRP A 73 15.633 -15.536 10.622 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 19.437 -18.635 9.805 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 17.935 -14.660 10.448 1.00 0.00 H new ATOM 0 HH2 TRP A 73 19.842 -16.197 10.094 1.00 0.00 H new ATOM 1178 N LEU A 74 13.924 -15.591 12.890 1.00 0.00 N ATOM 1179 CA LEU A 74 14.797 -14.599 13.497 1.00 0.00 C ATOM 1180 C LEU A 74 14.555 -14.490 15.002 1.00 0.00 C ATOM 1181 O LEU A 74 15.495 -14.271 15.763 1.00 0.00 O ATOM 1182 CB LEU A 74 14.565 -13.260 12.798 1.00 0.00 C ATOM 1183 CG LEU A 74 15.484 -12.152 13.324 1.00 0.00 C ATOM 1184 CD1 LEU A 74 16.959 -12.477 13.081 1.00 0.00 C ATOM 1185 CD2 LEU A 74 15.143 -10.852 12.605 1.00 0.00 C ATOM 0 H LEU A 74 13.059 -15.205 12.512 1.00 0.00 H new ATOM 0 HA LEU A 74 15.836 -14.902 13.371 1.00 0.00 H new ATOM 0 HB2 LEU A 74 14.725 -13.381 11.727 1.00 0.00 H new ATOM 0 HB3 LEU A 74 13.526 -12.959 12.933 1.00 0.00 H new ATOM 0 HG LEU A 74 15.329 -12.061 14.399 1.00 0.00 H new ATOM 0 HD11 LEU A 74 17.578 -11.668 13.468 1.00 0.00 H new ATOM 0 HD12 LEU A 74 17.216 -13.406 13.591 1.00 0.00 H new ATOM 0 HD13 LEU A 74 17.135 -12.589 12.011 1.00 0.00 H new ATOM 0 HD21 LEU A 74 15.790 -10.054 12.970 1.00 0.00 H new ATOM 0 HD22 LEU A 74 15.293 -10.979 11.533 1.00 0.00 H new ATOM 0 HD23 LEU A 74 14.102 -10.592 12.798 1.00 0.00 H new ATOM 1197 N TYR A 75 13.301 -14.643 15.437 1.00 0.00 N ATOM 1198 CA TYR A 75 12.972 -14.548 16.855 1.00 0.00 C ATOM 1199 C TYR A 75 13.680 -15.649 17.638 1.00 0.00 C ATOM 1200 O TYR A 75 14.065 -15.435 18.789 1.00 0.00 O ATOM 1201 CB TYR A 75 11.459 -14.681 17.057 1.00 0.00 C ATOM 1202 CG TYR A 75 10.597 -13.540 16.557 1.00 0.00 C ATOM 1203 CD1 TYR A 75 11.155 -12.387 15.976 1.00 0.00 C ATOM 1204 CD2 TYR A 75 9.204 -13.652 16.686 1.00 0.00 C ATOM 1205 CE1 TYR A 75 10.319 -11.351 15.536 1.00 0.00 C ATOM 1206 CE2 TYR A 75 8.364 -12.622 16.239 1.00 0.00 C ATOM 1207 CZ TYR A 75 8.919 -11.464 15.662 1.00 0.00 C ATOM 1208 OH TYR A 75 8.106 -10.462 15.228 1.00 0.00 O ATOM 0 H TYR A 75 12.504 -14.832 14.829 1.00 0.00 H new ATOM 0 HA TYR A 75 13.303 -13.575 17.219 1.00 0.00 H new ATOM 0 HB2 TYR A 75 11.130 -15.596 16.564 1.00 0.00 H new ATOM 0 HB3 TYR A 75 11.269 -14.808 18.123 1.00 0.00 H new ATOM 0 HD1 TYR A 75 12.226 -12.300 15.869 1.00 0.00 H new ATOM 0 HD2 TYR A 75 8.776 -14.537 17.133 1.00 0.00 H new ATOM 0 HE1 TYR A 75 10.749 -10.462 15.099 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.293 -12.717 16.337 1.00 0.00 H new ATOM 0 HH TYR A 75 7.171 -10.706 15.391 1.00 0.00 H new ATOM 1218 N ARG A 76 13.862 -16.829 17.029 1.00 0.00 N ATOM 1219 CA ARG A 76 14.516 -17.929 17.721 1.00 0.00 C ATOM 1220 C ARG A 76 16.025 -17.714 17.823 1.00 0.00 C ATOM 1221 O ARG A 76 16.659 -18.305 18.695 1.00 0.00 O ATOM 1222 CB ARG A 76 14.161 -19.272 17.075 1.00 0.00 C ATOM 1223 CG ARG A 76 14.742 -19.409 15.668 1.00 0.00 C ATOM 1224 CD ARG A 76 14.429 -20.796 15.120 1.00 0.00 C ATOM 1225 NE ARG A 76 15.098 -21.014 13.835 1.00 0.00 N ATOM 1226 CZ ARG A 76 15.115 -22.185 13.193 1.00 0.00 C ATOM 1227 NH1 ARG A 76 14.479 -23.245 13.687 1.00 0.00 N ATOM 1228 NH2 ARG A 76 15.773 -22.300 12.046 1.00 0.00 N ATOM 0 H ARG A 76 13.568 -17.037 16.075 1.00 0.00 H new ATOM 0 HA ARG A 76 14.139 -17.954 18.743 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.533 -20.083 17.700 1.00 0.00 H new ATOM 0 HB3 ARG A 76 13.077 -19.376 17.030 1.00 0.00 H new ATOM 0 HG2 ARG A 76 14.322 -18.645 15.014 1.00 0.00 H new ATOM 0 HG3 ARG A 76 15.820 -19.251 15.692 1.00 0.00 H new ATOM 0 HD2 ARG A 76 14.749 -21.554 15.834 1.00 0.00 H new ATOM 0 HD3 ARG A 76 13.352 -20.908 14.997 1.00 0.00 H new ATOM 0 HE ARG A 76 15.580 -20.224 13.405 1.00 0.00 H new ATOM 0 HH11 ARG A 76 13.970 -23.169 14.567 1.00 0.00 H new ATOM 0 HH12 ARG A 76 14.501 -24.133 13.185 1.00 0.00 H new ATOM 0 HH21 ARG A 76 16.264 -21.495 11.657 1.00 0.00 H new ATOM 0 HH22 ARG A 76 15.788 -23.193 11.554 1.00 0.00 H new ATOM 1242 N ILE A 77 16.619 -16.883 16.957 1.00 0.00 N ATOM 1243 CA ILE A 77 18.046 -16.598 17.073 1.00 0.00 C ATOM 1244 C ILE A 77 18.294 -15.779 18.337 1.00 0.00 C ATOM 1245 O ILE A 77 19.279 -16.010 19.039 1.00 0.00 O ATOM 1246 CB ILE A 77 18.569 -15.819 15.854 1.00 0.00 C ATOM 1247 CG1 ILE A 77 18.211 -16.456 14.504 1.00 0.00 C ATOM 1248 CG2 ILE A 77 20.088 -15.690 15.971 1.00 0.00 C ATOM 1249 CD1 ILE A 77 18.733 -17.883 14.333 1.00 0.00 C ATOM 0 H ILE A 77 16.144 -16.409 16.189 1.00 0.00 H new ATOM 0 HA ILE A 77 18.578 -17.548 17.122 1.00 0.00 H new ATOM 0 HB ILE A 77 18.080 -14.845 15.866 1.00 0.00 H new ATOM 0 HG12 ILE A 77 17.127 -16.461 14.392 1.00 0.00 H new ATOM 0 HG13 ILE A 77 18.612 -15.835 13.703 1.00 0.00 H new ATOM 0 HG21 ILE A 77 20.474 -15.139 15.113 1.00 0.00 H new ATOM 0 HG22 ILE A 77 20.338 -15.155 16.887 1.00 0.00 H new ATOM 0 HG23 ILE A 77 20.537 -16.683 15.996 1.00 0.00 H new ATOM 0 HD11 ILE A 77 18.439 -18.263 13.355 1.00 0.00 H new ATOM 0 HD12 ILE A 77 19.820 -17.885 14.411 1.00 0.00 H new ATOM 0 HD13 ILE A 77 18.312 -18.520 15.111 1.00 0.00 H new ATOM 1261 N ALA A 78 17.408 -14.827 18.633 1.00 0.00 N ATOM 1262 CA ALA A 78 17.617 -13.892 19.726 1.00 0.00 C ATOM 1263 C ALA A 78 17.411 -14.530 21.100 1.00 0.00 C ATOM 1264 O ALA A 78 18.108 -14.163 22.044 1.00 0.00 O ATOM 1265 CB ALA A 78 16.681 -12.701 19.534 1.00 0.00 C ATOM 0 H ALA A 78 16.535 -14.687 18.124 1.00 0.00 H new ATOM 0 HA ALA A 78 18.656 -13.565 19.702 1.00 0.00 H new ATOM 0 HB1 ALA A 78 16.826 -11.990 20.347 1.00 0.00 H new ATOM 0 HB2 ALA A 78 16.901 -12.215 18.583 1.00 0.00 H new ATOM 0 HB3 ALA A 78 15.647 -13.047 19.534 1.00 0.00 H new ATOM 1271 N VAL A 79 16.477 -15.476 21.235 1.00 0.00 N ATOM 1272 CA VAL A 79 16.258 -16.119 22.528 1.00 0.00 C ATOM 1273 C VAL A 79 17.363 -17.128 22.833 1.00 0.00 C ATOM 1274 O VAL A 79 17.696 -17.338 23.997 1.00 0.00 O ATOM 1275 CB VAL A 79 14.865 -16.758 22.579 1.00 0.00 C ATOM 1276 CG1 VAL A 79 14.682 -17.802 21.483 1.00 0.00 C ATOM 1277 CG2 VAL A 79 14.629 -17.425 23.935 1.00 0.00 C ATOM 0 H VAL A 79 15.874 -15.806 20.482 1.00 0.00 H new ATOM 0 HA VAL A 79 16.300 -15.358 23.307 1.00 0.00 H new ATOM 0 HB VAL A 79 14.143 -15.956 22.426 1.00 0.00 H new ATOM 0 HG11 VAL A 79 13.683 -18.232 21.553 1.00 0.00 H new ATOM 0 HG12 VAL A 79 14.807 -17.332 20.508 1.00 0.00 H new ATOM 0 HG13 VAL A 79 15.425 -18.590 21.604 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.635 -17.873 23.952 1.00 0.00 H new ATOM 0 HG22 VAL A 79 15.379 -18.200 24.095 1.00 0.00 H new ATOM 0 HG23 VAL A 79 14.704 -16.678 24.726 1.00 0.00 H new ATOM 1287 N ASN A 80 17.941 -17.760 21.806 1.00 0.00 N ATOM 1288 CA ASN A 80 19.045 -18.684 22.023 1.00 0.00 C ATOM 1289 C ASN A 80 20.349 -17.918 22.246 1.00 0.00 C ATOM 1290 O ASN A 80 21.299 -18.481 22.784 1.00 0.00 O ATOM 1291 CB ASN A 80 19.150 -19.658 20.848 1.00 0.00 C ATOM 1292 CG ASN A 80 18.090 -20.749 20.936 1.00 0.00 C ATOM 1293 OD1 ASN A 80 18.283 -21.751 21.620 1.00 0.00 O ATOM 1294 ND2 ASN A 80 16.964 -20.569 20.254 1.00 0.00 N ATOM 0 H ASN A 80 17.663 -17.647 20.831 1.00 0.00 H new ATOM 0 HA ASN A 80 18.854 -19.267 22.924 1.00 0.00 H new ATOM 0 HB2 ASN A 80 19.037 -19.113 19.910 1.00 0.00 H new ATOM 0 HB3 ASN A 80 20.141 -20.111 20.836 1.00 0.00 H new ATOM 0 HD21 ASN A 80 16.228 -21.275 20.289 1.00 0.00 H new ATOM 0 HD22 ASN A 80 16.835 -19.725 19.695 1.00 0.00 H new ATOM 1301 N THR A 81 20.408 -16.644 21.843 1.00 0.00 N ATOM 1302 CA THR A 81 21.592 -15.831 22.089 1.00 0.00 C ATOM 1303 C THR A 81 21.595 -15.348 23.535 1.00 0.00 C ATOM 1304 O THR A 81 22.660 -15.182 24.122 1.00 0.00 O ATOM 1305 CB THR A 81 21.635 -14.645 21.117 1.00 0.00 C ATOM 1306 OG1 THR A 81 21.607 -15.117 19.790 1.00 0.00 O ATOM 1307 CG2 THR A 81 22.929 -13.850 21.286 1.00 0.00 C ATOM 0 H THR A 81 19.656 -16.162 21.351 1.00 0.00 H new ATOM 0 HA THR A 81 22.483 -16.437 21.923 1.00 0.00 H new ATOM 0 HB THR A 81 20.774 -14.011 21.330 1.00 0.00 H new ATOM 0 HG1 THR A 81 20.681 -15.136 19.469 1.00 0.00 H new ATOM 0 HG21 THR A 81 22.937 -13.014 20.586 1.00 0.00 H new ATOM 0 HG22 THR A 81 22.992 -13.470 22.306 1.00 0.00 H new ATOM 0 HG23 THR A 81 23.783 -14.498 21.087 1.00 0.00 H new ATOM 1315 N ALA A 82 20.414 -15.129 24.120 1.00 0.00 N ATOM 1316 CA ALA A 82 20.301 -14.653 25.491 1.00 0.00 C ATOM 1317 C ALA A 82 20.615 -15.764 26.488 1.00 0.00 C ATOM 1318 O ALA A 82 21.200 -15.508 27.539 1.00 0.00 O ATOM 1319 CB ALA A 82 18.881 -14.135 25.704 1.00 0.00 C ATOM 0 H ALA A 82 19.518 -15.277 23.656 1.00 0.00 H new ATOM 0 HA ALA A 82 21.023 -13.854 25.657 1.00 0.00 H new ATOM 0 HB1 ALA A 82 18.775 -13.773 26.727 1.00 0.00 H new ATOM 0 HB2 ALA A 82 18.683 -13.320 25.008 1.00 0.00 H new ATOM 0 HB3 ALA A 82 18.169 -14.942 25.529 1.00 0.00 H new ATOM 1325 N LYS A 83 20.231 -17.004 26.163 1.00 0.00 N ATOM 1326 CA LYS A 83 20.498 -18.143 27.030 1.00 0.00 C ATOM 1327 C LYS A 83 21.952 -18.586 26.902 1.00 0.00 C ATOM 1328 O LYS A 83 22.495 -19.197 27.822 1.00 0.00 O ATOM 1329 CB LYS A 83 19.525 -19.271 26.685 1.00 0.00 C ATOM 1330 CG LYS A 83 18.099 -18.851 27.050 1.00 0.00 C ATOM 1331 CD LYS A 83 17.104 -19.932 26.625 1.00 0.00 C ATOM 1332 CE LYS A 83 15.679 -19.542 27.018 1.00 0.00 C ATOM 1333 NZ LYS A 83 15.508 -19.527 28.485 1.00 0.00 N ATOM 0 H LYS A 83 19.734 -17.238 25.303 1.00 0.00 H new ATOM 0 HA LYS A 83 20.344 -17.860 28.071 1.00 0.00 H new ATOM 0 HB2 LYS A 83 19.585 -19.504 25.622 1.00 0.00 H new ATOM 0 HB3 LYS A 83 19.797 -20.177 27.226 1.00 0.00 H new ATOM 0 HG2 LYS A 83 18.026 -18.681 28.124 1.00 0.00 H new ATOM 0 HG3 LYS A 83 17.854 -17.908 26.561 1.00 0.00 H new ATOM 0 HD2 LYS A 83 17.161 -20.081 25.547 1.00 0.00 H new ATOM 0 HD3 LYS A 83 17.369 -20.880 27.093 1.00 0.00 H new ATOM 0 HE2 LYS A 83 15.445 -18.557 26.613 1.00 0.00 H new ATOM 0 HE3 LYS A 83 14.973 -20.245 26.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 14.495 -19.478 28.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 15.914 -20.394 28.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 15.994 -18.698 28.883 1.00 0.00 H new ATOM 1347 N ASN A 84 22.594 -18.279 25.769 1.00 0.00 N ATOM 1348 CA ASN A 84 24.007 -18.566 25.578 1.00 0.00 C ATOM 1349 C ASN A 84 24.879 -17.426 26.114 1.00 0.00 C ATOM 1350 O ASN A 84 26.069 -17.620 26.364 1.00 0.00 O ATOM 1351 CB ASN A 84 24.263 -18.837 24.095 1.00 0.00 C ATOM 1352 CG ASN A 84 25.726 -19.156 23.820 1.00 0.00 C ATOM 1353 OD1 ASN A 84 26.181 -20.268 24.058 1.00 0.00 O ATOM 1354 ND2 ASN A 84 26.472 -18.179 23.312 1.00 0.00 N ATOM 0 H ASN A 84 22.148 -17.829 24.970 1.00 0.00 H new ATOM 0 HA ASN A 84 24.280 -19.455 26.146 1.00 0.00 H new ATOM 0 HB2 ASN A 84 23.642 -19.670 23.766 1.00 0.00 H new ATOM 0 HB3 ASN A 84 23.965 -17.967 23.510 1.00 0.00 H new ATOM 0 HD21 ASN A 84 27.458 -18.344 23.108 1.00 0.00 H new ATOM 0 HD22 ASN A 84 26.058 -17.265 23.127 1.00 0.00 H new